A0A024R7G2_HUMAN Loading...

Ras-related protein Rab-3

The small GTPases Rab are key regulators of intracellular membrane trafficking, from the formation of transport vesicles to their fusion with membranes. Rabs cycle between an inactive GDP-bound form and an active GTP-bound form that is able to recruit to membranes different sets of downstream effectors directly responsible for vesicle formation, movement, tethering and fusion. RAB3D may be involved in the insulin-induced exocytosis of GLUT4-containing vesicles in adipocytes.

AlphaFold DB (O95716), UniProt , Accession A0A024R7G2, Species HUMAN (Homo sapiens, Human), Gene RAB3D, Length 219 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.6	Very low	49.5	Very low	253 Å²	253	126.6 Å²	126.6	100%	1.246	83%	0.827	S	S	*	*				0	99.5	0	-79.2	174.8	173.6	0	0	108.3
2	A	46.2	Very low	49.5	Very low	105 Å²	105	134.3 Å²	134.3	87%	0.868	83%	0.827	S	S	*	*			trans	-159.3	117.8	159.2	0	0	0	0	0	106.1
3	S	44.2	Very low	49.8	Very low	123 Å²	123	132.7 Å²	132.7	86%	0.86	81%	0.81	S	S	*	*			trans	-70	147.6	-170.6	178.7	0	0	0	0	112.4
4	A	49	Very low	49.9	Very low	88 Å²	88	128.1 Å²	128.1	73%	0.727	79%	0.793	S	S	*	*			trans	-57.9	144.8	171.4	0	0	0	0	0	112.5
5	G	50	Low	50.3	Low	73 Å²	73	123.3 Å²	123.3	75%	0.753	77%	0.771	S	S	*	*			trans	-94.6	111.4	164.7	0	0	0	0	0	109.8
6	D	51.7	Low	51	Low	163 Å²	163	121.3 Å²	121.3	87%	0.872	75%	0.753	S	S	*	*			trans	-69.3	123.2	167.1	-84.8	-37.7	0	0	0	109.8
7	T	53.7	Low	51.9	Low	139 Å²	139	123.3 Å²	123.3	85%	0.853	75%	0.751	S	S	*	*			trans	-91.8	107	167.8	-51.5	0	0	0	0	107.6	A9	T7-A9 PolarHBondContact O-N 3.32Å
8	Q	48.3	Very low	53.6	Low	187 Å²	187	123.4 Å²	123.4	87%	0.874	75%	0.747	S	S	*	*			trans	-60.8	114.5	171.9	-91.4	176.5	7.1	0	0	110.3	G10	Q8-G10 PolarHBondContact O-N 3.2Å
9	A	50.7	Low	55.4	Low	92 Å²	92	120.4 Å²	120.4	76%	0.76	72%	0.723	S	S	*	*			trans	-65.5	115.9	161.5	0	0	0	0	0	108.7	T7	T7-A9 PolarHBondContact O-N 3.32Å
10	G	52.9	Low	57.1	Low	47 Å²	47	118.1 Å²	118.1	49%	0.485	71%	0.706	S	S	.	*			trans	-72.8	171	-178.2	0	0	0	0	0	113.9	Q8 R12	Q8-G10 PolarHBondContact O-N 3.2Å; G10-R12 PolarHBondContact O-N 2.81Å
11	P	52.7	Low	58.9	Low	123 Å²	123	116.5 Å²	116.5	80%	0.799	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	13.3	-168.8	-17.2	30.8	0	0	0	117	D13	P11-D13 VanDerWaalsContact C-N 3.35Å; P11-D13 PolarHBondContact O-N 3.44Å
12	R	48.8	Very low	61.2	Low	219 Å²	219	108 Å²	108	83%	0.826	65%	0.647	S	S	*	*	H	α-helix	trans	-73.9	-23.1	-170.7	-73.5	-177	174.7	173.3	-1.5	113.5	G10	G10-R12 PolarHBondContact O-N 2.81Å
13	D	53.7	Low	63.5	Low	113 Å²	113	103.1 Å²	103.1	60%	0.604	61%	0.606	S	S	*	*	H	α-helix	trans	-79.3	-26.5	-178.7	-66.3	-33.5	0	0	0	114.1	P11 D16	P11-D13 VanDerWaalsContact C-N 3.35Å; P11-D13 PolarHBondContact O-N 3.44Å; D13-D16 PolarHBondContact O-N 3.43Å
14	A	51.6	Low	66	Low	69 Å²	69	99 Å²	99	57%	0.57	57%	0.572	S	S	*	*	H	α-helix	trans	-72.9	-36.2	-178.6	0	0	0	0	0	112.2	D16 Q17	A14-D16 VanDerWaalsContact C-N 3.29Å; A14-D16 PolarHBondContact O-N 2.83Å; A14-Q17 PolarHBondContact O-N 3.45Å
15	A	55.6	Low	68.2	Low	56 Å²	56	94.9 Å²	94.9	46%	0.463	54%	0.538	S	S	.	.	H	α-helix	trans	-63.3	-38.4	176.3	0	0	0	0	0	110.4	Q17 N18 R70	A15-Q17 VanDerWaalsContact C-N 3.27Å; A15-Q17 PolarHBondContact O-N 3.43Å; A15-N18 PolarHBondContact O-N 3.06Å; A15-R70 PolarHBondContact O-NH1 3.31Å; A15-R70 PolarHBondContact O-NH2 2.6Å
16	D	60.9	Low	70.4	Confident	91 Å²	91	91.4 Å²	91.4	49%	0.487	50%	0.502	S	S	.	.	H	α-helix	trans	-70.6	-19.8	179.8	-91	-14.8	0	0	0	113.9	D13 A14 R70 K72	D13-D16 PolarHBondContact O-N 3.43Å; A14-D16 VanDerWaalsContact C-N 3.29Å; A14-D16 PolarHBondContact O-N 2.83Å; D16-R70 IonicContact OD1-NH2 3.63Å; D16-K72 WeakPolarHBondContact O-CE 3.36Å; D16-K72 PolarHBondContact O-NZ 3.26Å
17	Q	66.8	Low	72.5	Confident	155 Å²	155	83.6 Å²	83.6	72%	0.724	46%	0.461	S	S	*	.	H	α-helix	trans	-82.7	-21.5	178.2	-65.5	-171.8	19.2	0	0	114	A14 A15 F19	A14-Q17 PolarHBondContact O-N 3.45Å; A15-Q17 VanDerWaalsContact C-N 3.27Å; A15-Q17 PolarHBondContact O-N 3.43Å; Q17-F19 WeakPolarHBondContact O-CD1 3.38Å; Q17-F19 PolarHBondContact O-N 2.94Å
18	N	82.5	Confident	74.4	Confident	125 Å²	125	77 Å²	77	67%	0.668	42%	0.42	S	S	*	.			trans	-90.1	94.6	-174.3	-161.3	44	0	0	0	111.7	A15 R70	A15-N18 PolarHBondContact O-N 3.06Å; N18-R70 VanDerWaalsContact O-CD 3.27Å; N18-R70 WeakPolarHBondContact O-CD 3.38Å; N18-R70 PolarHBondContact O-NH1 2.91Å
19	F	86.8	Confident	76.6	Confident	67 Å²	67	68.1 Å²	68.1	29%	0.294	38%	0.379	S	S	.	.			trans	-135.7	147.4	172	60.7	-87.4	0	0	0	109.9	Q17 Y21 M22 R70 K72	Q17-F19 WeakPolarHBondContact O-CD1 3.38Å; Q17-F19 PolarHBondContact O-N 2.94Å; F19-Y21 WeakPolarHBondContact CD2-O 3.19Å; F19-M22 HydrophobicContact CD2-CB 4.26Å; F19-M22 HydrophobicContact CE1-CE 4.13Å; F19-M22 HydrophobicContact CE2-CB 3.73Å; F19-M22 HydrophobicContact CE2-CE 3.81Å; F19-M22 HydrophobicContact CZ-CE 3.44Å; F19-M22 VanDerWaalsContact CZ-CE 3.44Å; F19-R70 HydrophobicContact CB-CG 4.34Å; F19-K72 HydrophobicContact CB-CD 4.27Å; F19-K72 HydrophobicContact CB-CG 3.9Å; F19-K72 HydrophobicContact CD1-CD 3.46Å; F19-K72 VanDerWaalsContact CD1-CD 3.46Å; F19-K72 HydrophobicContact CD1-CG 4.05Å; F19-K72 HydrophobicContact CD2-CB 4.46Å; F19-K72 HydrophobicContact CD2-CD 4.38Å; F19-K72 HydrophobicContact CD2-CG 4.37Å; F19-K72 HydrophobicContact CE1-CD 3.85Å; F19-K72 HydrophobicContact CG-CB 4.4Å; F19-K72 HydrophobicContact CG-CD 3.76Å; F19-K72 HydrophobicContact CG-CG 3.82Å; F19-K72 HydrophobicContact CZ-CD 4.47Å
20	D	91.3	Very high	78.7	Confident	74 Å²	74	65 Å²	65	40%	0.396	35%	0.349	S	S	.	.	S	Bend	trans	-80.5	-39.6	-179.6	-60.9	-98.9	0	0	0	111.7	K69 R70	D20-K69 HydrophobicContact CB-CB 4.14Å; D20-K69 HydrophobicContact CB-CD 3.78Å; D20-K69 WeakPolarHBondContact OD1-CD 3.3Å; D20-K69 IonicContact OD1-NZ 2.93Å; D20-K69 PolarHBondContact OD1-NZ 3.49Å; D20-K69 WeakPolarHBondContact OD2-CA 3.34Å; D20-R70 PolarHBondContact N-O 2.98Å; D20-R70 PolarHBondContact OD2-N 2.92Å
21	Y	93.6	Very high	80.5	Confident	85 Å²	85	64.5 Å²	64.5	33%	0.333	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	149.7	-176.6	-59.4	-70.7	0	0	0	112	F19 F23 K69 R70 I71 K72 M187	F19-Y21 WeakPolarHBondContact CD2-O 3.19Å; Y21-F23 HydrophobicContact CG-CE1 4.2Å; Y21-K69 HydrophobicContact CD2-CB 4.26Å; Y21-K69 HydrophobicContact CE2-CB 4.27Å; Y21-K69 HydrophobicContact CE2-CD 4.2Å; Y21-K69 HydrophobicContact CE2-CG 4.02Å; Y21-R70 PolarHBondContact N-O 3.2Å; Y21-I71 HydrophobicContact CD2-CG1 4.38Å; Y21-I71 CarbonylContact O-C 3.56Å; Y21-I71 WeakPolarHBondContact O-CA 3.18Å; Y21-K72 PolarHBondContact O-N 3.31Å; Y21-M187 HydrophobicContact CD1-CE 3.83Å; Y21-M187 HydrophobicContact CE1-CE 3.86Å
22	M	93.9	Very high	82.4	Confident	75 Å²	75	60.9 Å²	60.9	37%	0.369	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	119.1	171.3	-179.3	-179.4	-64.9	0	0	109.1	F19 K72 Q74	F19-M22 HydrophobicContact CD2-CB 4.26Å; F19-M22 HydrophobicContact CE1-CE 4.13Å; F19-M22 HydrophobicContact CE2-CB 3.73Å; F19-M22 HydrophobicContact CE2-CE 3.81Å; F19-M22 HydrophobicContact CZ-CE 3.44Å; F19-M22 VanDerWaalsContact CZ-CE 3.44Å; M22-K72 CarbonylContact C-O 3.59Å; M22-K72 VanDerWaalsContact CA-O 3.29Å; M22-K72 WeakPolarHBondContact CA-O 3.45Å; M22-K72 HydrophobicContact CE-CD 4.39Å; M22-K72 HydrophobicContact CG-CB 4.41Å; M22-Q74 HydrophobicContact CG-CG 4.08Å; M22-Q74 HydrophobicContact SD-CG 4.05Å; M22-Q74 PolarHBondContact SD-NE2 3.23Å; M22-Q74 VanDerWaalsContact SD-NE2 3.43Å
23	F	95.5	Very high	84.6	Confident	1 Å²	1	50.5 Å²	50.5	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.8	180	-63.3	-11.1	0	0	0	110.4	Y21 L25 I71 K72 L73 Q74 M96 V180 I183 M187	Y21-F23 HydrophobicContact CG-CE1 4.2Å; F23-L25 HydrophobicContact CB-CD2 4.15Å; F23-I71 HydrophobicContact CD1-CG2 4.27Å; F23-I71 HydrophobicContact CD2-CG2 3.63Å; F23-I71 HydrophobicContact CE1-CG2 4.39Å; F23-I71 HydrophobicContact CE2-CD1 4.02Å; F23-I71 HydrophobicContact CE2-CG2 3.8Å; F23-I71 HydrophobicContact CG-CG2 3.88Å; F23-I71 HydrophobicContact CZ-CD1 4.25Å; F23-I71 HydrophobicContact CZ-CG2 4.17Å; F23-K72 PolarHBondContact N-O 2.89Å; F23-L73 HydrophobicContact CB-CD2 4Å; F23-L73 HydrophobicContact CD2-CD2 4.11Å; F23-L73 HydrophobicContact CG-CD2 4.44Å; F23-Q74 PolarHBondContact O-N 3.46Å; F23-M96 HydrophobicContact CB-SD 4.27Å; F23-M96 HydrophobicContact CD1-CE 3.52Å; F23-M96 HydrophobicContact CD1-SD 3.56Å; F23-M96 VanDerWaalsContact CD1-SD 3.56Å; F23-M96 HydrophobicContact CE1-CE 3.65Å; F23-M96 HydrophobicContact CE1-SD 4.3Å; F23-M96 HydrophobicContact CG-CE 4.39Å; F23-M96 HydrophobicContact CG-SD 4.21Å; F23-V180 HydrophobicContact CD2-CG1 4.3Å; F23-V180 HydrophobicContact CE2-CG1 4Å; F23-I183 HydrophobicContact CD1-CG2 4.14Å; F23-I183 HydrophobicContact CD2-CB 4.22Å; F23-I183 HydrophobicContact CD2-CD1 4.18Å; F23-I183 HydrophobicContact CD2-CG2 3.78Å; F23-I183 HydrophobicContact CE1-CG2 3.93Å; F23-I183 HydrophobicContact CE2-CB 3.95Å; F23-I183 HydrophobicContact CE2-CG2 3.52Å; F23-I183 HydrophobicContact CG-CG2 4.09Å; F23-I183 HydrophobicContact CZ-CB 4.45Å; F23-I183 HydrophobicContact CZ-CG2 3.62Å; F23-M187 HydrophobicContact CD1-SD 4.49Å; F23-M187 HydrophobicContact CE1-CE 4.44Å; F23-M187 HydrophobicContact CE1-SD 3.45Å; F23-M187 WeakPolarHBondContact CE1-SD 3.49Å; F23-M187 HydrophobicContact CZ-SD 3.75Å
24	K	95.4	Very high	86.6	Confident	37 Å²	37	45.8 Å²	45.8	16%	0.161	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	114.8	171.9	179.9	175.2	172	-171.9	0	109.4	L26 Y91 R93 A95 M96 G97	K24-L26 HydrophobicContact CG-CD1 3.95Å; K24-Y91 WeakPolarHBondContact CE-O 3.42Å; K24-Y91 PolarHBondContact NZ-O 2.83Å; K24-R93 PolarHBondContact NZ-O 2.93Å; K24-A95 HydrophobicContact CG-CB 4.48Å; K24-M96 PolarHBondContact O-N 3.01Å; K24-G97 PolarHBondContact O-N 3.32Å
25	L	96.6	Very high	88.7	Confident	1 Å²	1	43 Å²	43	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	138.6	-178.3	-50.7	-175.2	0	0	0	110.4	F23 L73 Q74 I75 W76 G97 F176 L179 I183	F23-L25 HydrophobicContact CB-CD2 4.15Å; L25-L73 HydrophobicContact CD1-CB 4.26Å; L25-L73 HydrophobicContact CD1-CD1 4.21Å; L25-L73 HydrophobicContact CD1-CD2 4.16Å; L25-L73 HydrophobicContact CD1-CG 4.44Å; L25-Q74 PolarHBondContact N-O 2.85Å; L25-I75 HydrophobicContact CB-CG1 4.46Å; L25-I75 HydrophobicContact CD1-CG1 4.35Å; L25-I75 WeakPolarHBondContact O-CA 3.29Å; L25-W76 PolarHBondContact O-N 3.42Å; L25-G97 CarbonylContact C-O 3.57Å; L25-G97 VanDerWaalsContact CA-O 3.28Å; L25-G97 WeakPolarHBondContact CA-O 3.39Å; L25-F176 HydrophobicContact CD1-CD1 4.34Å; L25-L179 HydrophobicContact CD1-CD2 4.13Å; L25-L179 HydrophobicContact CD2-CD2 3.96Å; L25-L179 HydrophobicContact CD2-CG 4.35Å; L25-L179 HydrophobicContact CG-CD2 4.47Å; L25-I183 HydrophobicContact CD2-CD1 3.51Å
26	L	95.6	Very high	90.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	137.8	176.6	-83.1	65.9	0	0	0	111	K24 I28 W76 Y92 A95 G97 F98 L99	K24-L26 HydrophobicContact CG-CD1 3.95Å; L26-I28 HydrophobicContact CB-CD1 4.14Å; L26-I28 HydrophobicContact CB-CG1 4.18Å; L26-I28 HydrophobicContact CD2-CD1 4.3Å; L26-W76 WeakPolarHBondContact CA-O 3.27Å; L26-W76 HydrophobicContact CD1-CB 4.16Å; L26-W76 HydrophobicContact CD1-CG 4.24Å; L26-W76 HydrophobicContact CG-CB 3.97Å; L26-Y92 HydrophobicContact CD2-CD1 3.52Å; L26-Y92 HydrophobicContact CD2-CE1 3.92Å; L26-A95 HydrophobicContact CD1-CB 3.61Å; L26-G97 PolarHBondContact N-O 2.85Å; L26-F98 HydrophobicContact CB-CD1 3.75Å; L26-F98 HydrophobicContact CB-CE1 3.94Å; L26-F98 HydrophobicContact CD2-CD1 4.43Å; L26-F98 HydrophobicContact CD2-CE1 3.78Å; L26-F98 HydrophobicContact CG-CE1 4.37Å; L26-F98 CarbonylContact O-C 3.59Å; L26-F98 WeakPolarHBondContact O-CA 3.06Å; L26-L99 PolarHBondContact O-N 2.85Å
27	L	96	Very high	92.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	118.7	167.3	-49.8	-173.8	0	0	0	108.6	K35 L39 I75 W76 D77 T78 L99 F176	L27-K35 HydrophobicContact CB-CB 4.07Å; L27-K35 HydrophobicContact CB-CD 4.13Å; L27-K35 HydrophobicContact CB-CG 4.4Å; L27-K35 HydrophobicContact CD1-CB 4.32Å; L27-K35 WeakPolarHBondContact CD1-O 3.45Å; L27-L39 HydrophobicContact CD1-CB 3.77Å; L27-L39 HydrophobicContact CD1-CD2 4.48Å; L27-I75 HydrophobicContact CD1-CG2 4.47Å; L27-I75 HydrophobicContact CD2-CG2 4.27Å; L27-I75 HydrophobicContact CG-CG2 4.16Å; L27-W76 PolarHBondContact N-O 2.8Å; L27-D77 HydrophobicContact CD1-CB 4.41Å; L27-T78 PolarHBondContact O-OG1 3.29Å; L27-L99 HydrophobicContact CD2-CB 3.7Å; L27-L99 HydrophobicContact CD2-CD1 3.62Å; L27-L99 HydrophobicContact CD2-CG 3.94Å; L27-F176 HydrophobicContact CD2-CE1 4.28Å; L27-F176 HydrophobicContact CD2-CZ 4.03Å
28	I	94.1	Very high	93.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	148.9	-174.9	-57.8	-59	0	0	0	110.1	L26 T78 T88 Y92 F98 L99 L100 M101 W116	L26-I28 HydrophobicContact CB-CD1 4.14Å; L26-I28 HydrophobicContact CB-CG1 4.18Å; L26-I28 HydrophobicContact CD2-CD1 4.3Å; I28-T78 HydrophobicContact CD1-CG2 3.78Å; I28-T88 HydrophobicContact CD1-CG2 3.72Å; I28-Y92 HydrophobicContact CD1-CE1 3.55Å; I28-Y92 HydrophobicContact CG1-CE1 4.22Å; I28-F98 HydrophobicContact CG1-CD1 3.82Å; I28-F98 HydrophobicContact CG1-CE1 4.39Å; I28-L99 PolarHBondContact N-O 3.46Å; I28-L100 HydrophobicContact CB-CD1 4.31Å; I28-L100 HydrophobicContact CG2-CD1 4.02Å; I28-L100 CarbonylContact O-C 3.55Å; I28-L100 WeakPolarHBondContact O-CA 3.3Å; I28-M101 PolarHBondContact O-N 2.87Å; I28-W116 HydrophobicContact CG2-CB 4.17Å; I28-W116 HydrophobicContact CG2-CD2 3.74Å; I28-W116 HydrophobicContact CG2-CE3 3.41Å; I28-W116 VanDerWaalsContact CG2-CE3 3.41Å; I28-W116 HydrophobicContact CG2-CG 4.09Å; I28-W116 HydrophobicContact CG2-CZ3 4.01Å
29	G	94.6	Very high	94.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	146.7	170.4	179.1	0	0	0	0	0	111.6	K35 G80 M101	G29-K35 PolarHBondContact O-NZ 2.6Å; G29-G80 WeakPolarHBondContact O-CA 3.37Å; G29-M101 WeakPolarHBondContact CA-O 3.29Å
30	N	92.9	Very high	94.6	Very high	26 Å²	26	25.4 Å²	25.4	14%	0.139	14%	0.137	C	C	.	.	S	Bend	trans	-57.8	166.6	179.9	-81.9	14.8	0	0	0	112.5	V33 K35 G80 A112 W116	N30-V33 HydrophobicContact CB-CG1 3.95Å; N30-V33 VanDerWaalsContact O-CG2 3.27Å; N30-V33 WeakPolarHBondContact O-CG2 3.45Å; N30-K35 PolarHBondContact O-NZ 3.12Å; N30-G80 CarbonylContact C-O 3.59Å; N30-A112 WeakPolarHBondContact OD1-CB 3.36Å; N30-W116 PolarHBondContact OD1-NE1 2.78Å
31	S	91.2	Very high	94.9	Very high	37 Å²	37	23.8 Å²	23.8	26%	0.259	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	152.3	170.1	-65.4	0	0	0	0	110.4	V33 G80 Q81	S31-V33 PolarHBondContact O-N 2.98Å; S31-V33 VanDerWaalsContact O-N 3.07Å; S31-G80 PolarHBondContact N-O 2.84Å; S31-G80 PolarHBondContact OG-O 2.85Å; S31-G80 VanDerWaalsContact OG-O 3.12Å; S31-Q81 WeakPolarHBondContact OG-CA 3.24Å; S31-Q81 WeakPolarHBondContact OG-CG 3.37Å; S31-Q81 PolarHBondContact OG-N 2.73Å
32	S	92.4	Very high	95	Very high	48 Å²	48	20.7 Å²	20.7	34%	0.336	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	-0.3	176.2	77.7	0	0	0	0	118	G34 F51 K136	S32-G34 PolarHBondContact O-N 2.79Å; S32-G34 VanDerWaalsContact O-N 3.17Å; S32-F51 VanDerWaalsContact CA-CE2 3.46Å; S32-K136 VanDerWaalsContact O-CE 3.28Å; S32-K136 WeakPolarHBondContact O-CE 3.29Å; S32-K136 PolarHBondContact O-NZ 3.32Å
33	V	95.6	Very high	95	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-68.8	-11.4	175.4	-53.6	0	0	0	0	113.8	N30 S31 K35 M101 D103 N135	N30-V33 HydrophobicContact CB-CG1 3.95Å; N30-V33 VanDerWaalsContact O-CG2 3.27Å; N30-V33 WeakPolarHBondContact O-CG2 3.45Å; S31-V33 PolarHBondContact O-N 2.98Å; S31-V33 VanDerWaalsContact O-N 3.07Å; V33-K35 HydrophobicContact CG2-CD 4.27Å; V33-K35 HydrophobicContact CG2-CG 3.63Å; V33-M101 HydrophobicContact CG2-CB 3.92Å; V33-D103 HydrophobicContact CB-CB 4.32Å; V33-D103 HydrophobicContact CG1-CB 4.26Å; V33-N135 PolarHBondContact O-ND2 2.84Å
34	G	95.4	Very high	94.9	Very high	14 Å²	14	22.2 Å²	22.2	14%	0.144	13%	0.125	C	C	.	.	S	Bend	trans	100	19	172.3	0	0	0	0	0	116.2	S32 T36 S37 F38	S32-G34 PolarHBondContact O-N 2.79Å; S32-G34 VanDerWaalsContact O-N 3.17Å; G34-T36 PolarHBondContact O-N 2.84Å; G34-S37 PolarHBondContact O-N 3.43Å; G34-F38 VanDerWaalsContact O-CB 3.29Å; G34-F38 WeakPolarHBondContact O-CB 3.46Å; G34-F38 PolarHBondContact O-N 2.69Å
35	K	95.8	Very high	94.8	Very high	10 Å²	10	25.4 Å²	25.4	4%	0.043	14%	0.144	C	C	.	.	H	α-helix	trans	-52.1	-53	179.3	-54.9	-169.4	-61.8	-75.4	0	113.7	L27 G29 N30 V33 S37 F38 L39 D77 T78 M101	L27-K35 HydrophobicContact CB-CB 4.07Å; L27-K35 HydrophobicContact CB-CD 4.13Å; L27-K35 HydrophobicContact CB-CG 4.4Å; L27-K35 HydrophobicContact CD1-CB 4.32Å; L27-K35 WeakPolarHBondContact CD1-O 3.45Å; G29-K35 PolarHBondContact O-NZ 2.6Å; N30-K35 PolarHBondContact O-NZ 3.12Å; V33-K35 HydrophobicContact CG2-CD 4.27Å; V33-K35 HydrophobicContact CG2-CG 3.63Å; K35-S37 PolarHBondContact O-N 2.85Å; K35-F38 WeakPolarHBondContact O-CB 3.4Å; K35-F38 PolarHBondContact O-N 3.36Å; K35-L39 PolarHBondContact O-N 3.14Å; K35-D77 WeakPolarHBondContact CB-OD1 3.38Å; K35-T78 WeakPolarHBondContact CE-O 3.41Å; K35-T78 PolarHBondContact NZ-O 2.91Å; K35-M101 HydrophobicContact CB-SD 4.21Å; K35-M101 HydrophobicContact CG-CB 4.34Å; K35-M101 HydrophobicContact CG-CG 4.47Å; K35-M101 HydrophobicContact CG-SD 3.88Å
36	T	94.6	Very high	94.7	Very high	30 Å²	30	28.4 Å²	28.4	18%	0.184	17%	0.165	C	C	.	.	H	α-helix	trans	-60.6	-47	178.5	-45.3	0	0	0	0	112.2	G34 F38 L39 F40 T54 D77	G34-T36 PolarHBondContact O-N 2.84Å; T36-F38 VanDerWaalsContact C-N 3.27Å; T36-F38 PolarHBondContact O-N 3Å; T36-L39 PolarHBondContact O-N 3.34Å; T36-F40 HydrophobicContact CG2-CD2 4.21Å; T36-F40 HydrophobicContact CG2-CE2 3.8Å; T36-F40 HydrophobicContact CG2-CZ 4.05Å; T36-F40 PolarHBondContact O-N 3.41Å; T36-T54 PolarHBondContact OG1-OG1 2.8Å; T36-D77 WeakPolarHBondContact CA-OD2 3.29Å; T36-D77 VanDerWaalsContact CB-OD2 3.23Å; T36-D77 WeakPolarHBondContact CB-OD2 3.29Å; T36-D77 WeakPolarHBondContact CG2-OD2 3.35Å; T36-D77 PolarHBondContact N-OD1 2.85Å; T36-D77 PolarHBondContact OG1-OD2 3.01Å
37	S	95.5	Very high	94.6	Very high	30 Å²	30	31.6 Å²	31.6	21%	0.21	18%	0.179	C	C	.	.	H	α-helix	trans	-62.4	-36.6	177.1	-52.3	0	0	0	0	111.8	G34 K35 R41	G34-S37 PolarHBondContact O-N 3.43Å; K35-S37 PolarHBondContact O-N 2.85Å; S37-R41 VanDerWaalsContact O-CB 3.29Å; S37-R41 WeakPolarHBondContact O-CB 3.26Å; S37-R41 PolarHBondContact O-N 3.21Å
38	F	97	Very high	94.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.4	-43	176.2	-160.9	-94.3	0	0	0	111.5	G34 K35 T36 R41 Y42 L99 M101 V133 A164 A166 V172 V175 F176	G34-F38 VanDerWaalsContact O-CB 3.29Å; G34-F38 WeakPolarHBondContact O-CB 3.46Å; G34-F38 PolarHBondContact O-N 2.69Å; K35-F38 WeakPolarHBondContact O-CB 3.4Å; K35-F38 PolarHBondContact O-N 3.36Å; T36-F38 VanDerWaalsContact C-N 3.27Å; T36-F38 PolarHBondContact O-N 3Å; F38-R41 PolarHBondContact O-N 3.48Å; F38-Y42 WeakPolarHBondContact O-CB 2.8Å; F38-Y42 PolarHBondContact O-N 2.85Å; F38-L99 HydrophobicContact CE1-CD1 4.06Å; F38-M101 HydrophobicContact CB-CE 3.78Å; F38-M101 HydrophobicContact CB-SD 4.25Å; F38-M101 HydrophobicContact CD1-CE 4.16Å; F38-M101 HydrophobicContact CD1-SD 4.36Å; F38-M101 HydrophobicContact CD2-CE 3.68Å; F38-M101 HydrophobicContact CE2-CE 4.26Å; F38-M101 HydrophobicContact CG-CE 3.62Å; F38-M101 HydrophobicContact CG-SD 4.27Å; F38-V133 HydrophobicContact CE2-CG1 4.42Å; F38-V133 HydrophobicContact CZ-CG1 4.42Å; F38-A164 HydrophobicContact CE2-CB 3.62Å; F38-A164 HydrophobicContact CZ-CB 4.16Å; F38-A166 HydrophobicContact CB-CB 4.34Å; F38-A166 HydrophobicContact CD2-CB 4.2Å; F38-V172 HydrophobicContact CD1-CG1 4.31Å; F38-V172 HydrophobicContact CD2-CG1 4.37Å; F38-V172 HydrophobicContact CD2-CG2 4.06Å; F38-V172 HydrophobicContact CE1-CG1 4.11Å; F38-V172 HydrophobicContact CE2-CB 4.17Å; F38-V172 HydrophobicContact CE2-CG1 4.19Å; F38-V172 HydrophobicContact CE2-CG2 3.71Å; F38-V172 HydrophobicContact CG-CG1 4.43Å; F38-V172 HydrophobicContact CZ-CB 4.19Å; F38-V172 HydrophobicContact CZ-CG1 4.06Å; F38-V172 HydrophobicContact CZ-CG2 4.23Å; F38-V175 HydrophobicContact CE1-CB 4.46Å; F38-V175 HydrophobicContact CE1-CG1 4.22Å; F38-V175 HydrophobicContact CZ-CB 4.11Å; F38-V175 HydrophobicContact CZ-CG1 4.19Å; F38-V175 HydrophobicContact CZ-CG2 4.36Å; F38-F176 HydrophobicContact CD1-CD2 4.45Å; F38-F176 AromaticContact CD1-CE2 3.56Å; F38-F176 HydrophobicContact CD1-CE2 3.56Å; F38-F176 HydrophobicContact CD1-CZ 4.17Å; F38-F176 AromaticContact CE1-CD2 3.94Å; F38-F176 HydrophobicContact CE1-CD2 3.94Å; F38-F176 AromaticContact CE1-CE2 3.47Å; F38-F176 HydrophobicContact CE1-CE2 3.47Å; F38-F176 VanDerWaalsContact CE1-CE2 3.47Å; F38-F176 HydrophobicContact CE1-CZ 4.32Å
39	L	96.2	Very high	93.8	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-61.9	-47.8	174	-178.2	51.4	0	0	0	111.8	L27 K35 T36 R41 Y42 A43 K60 I75 D77	L27-L39 HydrophobicContact CD1-CB 3.77Å; L27-L39 HydrophobicContact CD1-CD2 4.48Å; K35-L39 PolarHBondContact O-N 3.14Å; T36-L39 PolarHBondContact O-N 3.34Å; L39-R41 VanDerWaalsContact C-N 3.34Å; L39-Y42 PolarHBondContact O-N 3.09Å; L39-A43 HydrophobicContact CD1-CB 4.5Å; L39-A43 WeakPolarHBondContact O-CB 3.39Å; L39-A43 PolarHBondContact O-N 3.03Å; L39-K60 HydrophobicContact CD1-CB 4.16Å; L39-K60 HydrophobicContact CD2-CB 4.02Å; L39-K60 HydrophobicContact CG-CB 4.35Å; L39-I75 HydrophobicContact CD1-CB 3.95Å; L39-I75 HydrophobicContact CD1-CD1 3.84Å; L39-I75 HydrophobicContact CD1-CG2 3.64Å; L39-I75 HydrophobicContact CD2-CG2 4.33Å; L39-D77 HydrophobicContact CD2-CB 3.76Å
40	F	94.3	Very high	93.2	Very high	65 Å²	65	43.1 Å²	43.1	29%	0.285	26%	0.258	S	S	.	.	H	α-helix	trans	-65	-38.9	178.6	-72.2	-18.5	0	0	0	112.3	T36 Y42 A43 D44 D45 S46	T36-F40 HydrophobicContact CG2-CD2 4.21Å; T36-F40 HydrophobicContact CG2-CE2 3.8Å; T36-F40 HydrophobicContact CG2-CZ 4.05Å; T36-F40 PolarHBondContact O-N 3.41Å; F40-Y42 VanDerWaalsContact C-N 3.33Å; F40-Y42 PolarHBondContact O-N 2.97Å; F40-A43 PolarHBondContact O-N 3.15Å; F40-D44 WeakPolarHBondContact O-CA 3.06Å; F40-D44 PolarHBondContact O-N 3.33Å; F40-D45 PolarHBondContact O-N 3.08Å; F40-S46 CarbonylContact C-O 3.52Å; F40-S46 PolarHBondContact O-N 3.14Å
41	R	96.6	Very high	92.6	Very high	40 Å²	40	48 Å²	48	15%	0.151	28%	0.278	C	S	.	.	H	α-helix	trans	-61	-45.1	173.8	178.9	59.1	76.2	172.2	6.6	111	S37 F38 L39 D45 S46 F47 A166 K167 N169 V172	S37-R41 VanDerWaalsContact O-CB 3.29Å; S37-R41 WeakPolarHBondContact O-CB 3.26Å; S37-R41 PolarHBondContact O-N 3.21Å; F38-R41 PolarHBondContact O-N 3.48Å; L39-R41 VanDerWaalsContact C-N 3.34Å; R41-D45 WeakPolarHBondContact CD-OD1 3.45Å; R41-D45 IonicContact CZ-OD1 2.68Å; R41-D45 PolarHBondContact NH1-O 3.47Å; R41-D45 IonicContact NH1-OD1 3.64Å; R41-D45 PolarHBondContact NH1-OD1 3.48Å; R41-D45 VanDerWaalsContact O-CA 3.23Å; R41-D45 WeakPolarHBondContact O-CA 3.48Å; R41-D45 PolarHBondContact O-N 3.23Å; R41-D45 VanDerWaalsContact O-N 3.14Å; R41-S46 WeakPolarHBondContact CA-O 3.4Å; R41-S46 PolarHBondContact N-O 2.86Å; R41-F47 VanDerWaalsContact NH2-CB 3.26Å; R41-A166 PolarHBondContact NE-O 3.14Å; R41-K167 PolarHBondContact NH2-O 3Å; R41-N169 HydrophobicContact CG-CB 4.3Å; R41-N169 WeakPolarHBondContact CG-OD1 3.3Å; R41-V172 HydrophobicContact CB-CG1 4.18Å; R41-V172 HydrophobicContact CG-CB 4.18Å; R41-V172 HydrophobicContact CG-CG1 3.92Å; R41-V172 HydrophobicContact CG-CG2 3.91Å
42	Y	96.7	Very high	92.1	Very high	20 Å²	20	51.8 Å²	51.8	8%	0.078	30%	0.3	C	S	.	.	H	α-helix	trans	-67.4	-43.9	177.6	176.4	-118.2	0	0	0	113.4	F38 L39 F40 K62 V64 L73 I75 F176	F38-Y42 WeakPolarHBondContact O-CB 2.8Å; F38-Y42 PolarHBondContact O-N 2.85Å; L39-Y42 PolarHBondContact O-N 3.09Å; F40-Y42 VanDerWaalsContact C-N 3.33Å; F40-Y42 PolarHBondContact O-N 2.97Å; Y42-K62 HydrophobicContact CD1-CD 3.89Å; Y42-K62 HydrophobicContact CE1-CD 3.28Å; Y42-K62 HydrophobicContact CE1-CG 4.5Å; Y42-K62 HydrophobicContact CE2-CD 4.27Å; Y42-K62 PolarHBondContact O-NZ 2.88Å; Y42-V64 WeakPolarHBondContact OH-CG1 3.38Å; Y42-L73 HydrophobicContact CE1-CD1 4.36Å; Y42-I75 HydrophobicContact CD1-CD1 3.94Å; Y42-I75 HydrophobicContact CE1-CD1 3.76Å; Y42-F176 VanDerWaalsContact CB-CE2 3.45Å; Y42-F176 HydrophobicContact CD1-CB 4.43Å; Y42-F176 AromaticContact CD1-CD1 3.95Å; Y42-F176 HydrophobicContact CD1-CD1 3.95Å; Y42-F176 AromaticContact CD1-CD2 3.57Å; Y42-F176 HydrophobicContact CD1-CD2 3.57Å; Y42-F176 HydrophobicContact CD1-CE1 4.02Å; Y42-F176 AromaticContact CD1-CE2 3.64Å; Y42-F176 HydrophobicContact CD1-CE2 3.64Å; Y42-F176 AromaticContact CD1-CG 3.73Å; Y42-F176 HydrophobicContact CD1-CG 3.73Å; Y42-F176 AromaticContact CD1-CZ 3.87Å; Y42-F176 HydrophobicContact CD1-CZ 3.87Å; Y42-F176 HydrophobicContact CD2-CB 4.01Å; Y42-F176 AromaticContact CD2-CD2 3.52Å; Y42-F176 HydrophobicContact CD2-CD2 3.52Å; Y42-F176 HydrophobicContact CD2-CE2 4.19Å; Y42-F176 AromaticContact CD2-CG 3.92Å; Y42-F176 HydrophobicContact CD2-CG 3.92Å; Y42-F176 HydrophobicContact CE1-CB 4.01Å; Y42-F176 AromaticContact CE1-CD1 3.78Å; Y42-F176 HydrophobicContact CE1-CD1 3.78Å; Y42-F176 HydrophobicContact CE1-CD2 4.01Å; Y42-F176 HydrophobicContact CE1-CE1 4.21Å; Y42-F176 HydrophobicContact CE1-CE2 4.41Å; Y42-F176 AromaticContact CE1-CG 3.67Å; Y42-F176 HydrophobicContact CE1-CG 3.67Å; Y42-F176 HydrophobicContact CE2-CB 3.58Å; Y42-F176 AromaticContact CE2-CD2 3.99Å; Y42-F176 HydrophobicContact CE2-CD2 3.99Å; Y42-F176 AromaticContact CE2-CG 3.9Å; Y42-F176 HydrophobicContact CE2-CG 3.9Å; Y42-F176 HydrophobicContact CG-CB 4.42Å; Y42-F176 HydrophobicContact CG-CD1 4.49Å; Y42-F176 AromaticContact CG-CD2 3.28Å; Y42-F176 HydrophobicContact CG-CD2 3.28Å; Y42-F176 AromaticContact CG-CE2 3.49Å; Y42-F176 HydrophobicContact CG-CE2 3.49Å; Y42-F176 VanDerWaalsContact CG-CE2 3.49Å; Y42-F176 AromaticContact CG-CG 3.84Å; Y42-F176 HydrophobicContact CG-CG 3.84Å; Y42-F176 HydrophobicContact CG-CZ 4.2Å; Y42-F176 AromaticContact CZ-CG 3.76Å
43	A	93.8	Very high	91.6	Very high	20 Å²	20	52 Å²	52	17%	0.165	30%	0.301	C	S	.	.	H	α-helix	trans	-79.4	-45.2	-170.5	0	0	0	0	0	112.3	L39 F40 K60 K62	L39-A43 HydrophobicContact CD1-CB 4.5Å; L39-A43 WeakPolarHBondContact O-CB 3.39Å; L39-A43 PolarHBondContact O-N 3.03Å; F40-A43 PolarHBondContact O-N 3.15Å; A43-K60 HydrophobicContact CB-CD 4.09Å; A43-K60 HydrophobicContact CB-CG 3.96Å; A43-K62 PolarHBondContact O-NZ 3.5Å; A43-K62 VanDerWaalsContact O-NZ 3.12Å
44	D	92.6	Very high	90.8	Very high	87 Å²	87	53.4 Å²	53.4	47%	0.465	31%	0.31	S	S	.	.	H	α-helix	trans	-123.2	2.1	-166.7	-50.6	-45.6	0	0	0	113.6	F40 S46 K60	F40-D44 WeakPolarHBondContact O-CA 3.06Å; F40-D44 PolarHBondContact O-N 3.33Å; D44-S46 PolarHBondContact O-N 3.27Å; D44-K60 WeakPolarHBondContact OD1-CE 3.23Å; D44-K60 IonicContact OD1-NZ 3.63Å; D44-K60 PolarHBondContact OD1-NZ 3.26Å; D44-K60 IonicContact OD2-NZ 2.73Å; D44-K60 PolarHBondContact OD2-NZ 3.3Å
45	D	94.2	Very high	89.9	Confident	104 Å²	104	58.1 Å²	58.1	56%	0.556	34%	0.335	S	S	*	.	S	Bend	trans	50.4	38.6	-172.3	-163.6	21.8	0	0	0	113.6	F40 R41	F40-D45 PolarHBondContact O-N 3.08Å; R41-D45 WeakPolarHBondContact CD-OD1 3.45Å; R41-D45 IonicContact CZ-OD1 2.68Å; R41-D45 PolarHBondContact NH1-O 3.47Å; R41-D45 IonicContact NH1-OD1 3.64Å; R41-D45 PolarHBondContact NH1-OD1 3.48Å; R41-D45 VanDerWaalsContact O-CA 3.23Å; R41-D45 WeakPolarHBondContact O-CA 3.48Å; R41-D45 PolarHBondContact O-N 3.23Å; R41-D45 VanDerWaalsContact O-N 3.14Å
46	S	93.6	Very high	89	Confident	64 Å²	64	58.5 Å²	58.5	45%	0.448	34%	0.342	S	S	.	.			trans	-119.6	146.2	-177.5	-175	0	0	0	0	111.4	F40 R41 D44	F40-S46 CarbonylContact C-O 3.52Å; F40-S46 PolarHBondContact O-N 3.14Å; R41-S46 WeakPolarHBondContact CA-O 3.4Å; R41-S46 PolarHBondContact N-O 2.86Å; D44-S46 PolarHBondContact O-N 3.27Å
47	F	93.3	Very high	88.4	Confident	67 Å²	67	59 Å²	59	29%	0.294	34%	0.344	S	S	.	.			trans	-139.8	133.1	174.7	177.7	-94.2	0	0	0	110	R41 P49 A166 K167	R41-F47 VanDerWaalsContact NH2-CB 3.26Å; F47-P49 HydrophobicContact CE1-CB 4.18Å; F47-A166 HydrophobicContact CD2-CB 4.22Å; F47-A166 HydrophobicContact CE2-CB 4.28Å; F47-K167 HydrophobicContact CD1-CB 4.47Å; F47-K167 HydrophobicContact CD1-CG 4.23Å; F47-K167 HydrophobicContact CD2-CB 4.34Å; F47-K167 HydrophobicContact CE1-CB 4.01Å; F47-K167 HydrophobicContact CE1-CG 3.74Å; F47-K167 HydrophobicContact CE2-CB 3.86Å; F47-K167 HydrophobicContact CZ-CB 3.68Å; F47-K167 HydrophobicContact CZ-CG 3.89Å
48	T	89.5	Confident	88	Confident	68 Å²	68	61.1 Å²	61.1	42%	0.417	35%	0.352	S	S	.	.			trans	-119.3	130	170.1	179.4	0	0	0	0	109.4	A50	T48-A50 PolarHBondContact O-N 2.79Å; T48-A50 PolarHBondContact OG1-N 3.42Å
49	P	83.7	Confident	87.7	Confident	115 Å²	115	65 Å²	65	75%	0.747	37%	0.369	S	S	*	.			trans	-73.5	-14.6	174.5	30.9	-34.8	0	0	0	112.2	F47 F51	F47-P49 HydrophobicContact CE1-CB 4.18Å; P49-F51 PolarHBondContact O-N 3.46Å
50	A	83.2	Confident	87.5	Confident	59 Å²	59	67.7 Å²	67.7	49%	0.488	38%	0.381	S	S	.	.			trans	-67.4	115.9	178.9	0	0	0	0	0	110	T48 V52	T48-A50 PolarHBondContact O-N 2.79Å; T48-A50 PolarHBondContact OG1-N 3.42Å; A50-V52 PolarHBondContact O-N 3.46Å
51	F	78.9	Confident	87.5	Confident	130 Å²	130	68 Å²	68	57%	0.57	39%	0.388	S	S	*	.			trans	-77.5	112	173.3	179	-109.6	0	0	0	110	S32 P49 S53	S32-F51 VanDerWaalsContact CA-CE2 3.46Å; P49-F51 PolarHBondContact O-N 3.46Å; F51-S53 WeakPolarHBondContact CE1-OG 3.3Å; F51-S53 WeakPolarHBondContact CZ-OG 3.39Å
52	V	80.8	Confident	87.3	Confident	116 Å²	116	68.9 Å²	68.9	70%	0.703	39%	0.393	S	S	*	.			trans	-116	117.5	169.2	-177.2	0	0	0	0	107.5	A50 T54	A50-V52 PolarHBondContact O-N 3.46Å; V52-T54 PolarHBondContact O-N 2.62Å
53	S	83.2	Confident	87.2	Confident	51 Å²	51	70 Å²	70	36%	0.357	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-61.2	122.1	176.5	-69	0	0	0	0	110.5	F51 V55	F51-S53 WeakPolarHBondContact CE1-OG 3.3Å; F51-S53 WeakPolarHBondContact CZ-OG 3.39Å; S53-V55 PolarHBondContact O-N 2.82Å
54	T	77.5	Confident	87.2	Confident	31 Å²	31	69.8 Å²	69.8	19%	0.19	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-60.9	125.2	171.5	-42.3	0	0	0	0	109.5	T36 V52 A79	T36-T54 PolarHBondContact OG1-OG1 2.8Å; V52-T54 PolarHBondContact O-N 2.62Å; T54-A79 WeakPolarHBondContact O-CB 3.2Å
55	V	78.1	Confident	87.2	Confident	112 Å²	112	72.6 Å²	72.6	68%	0.679	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-99.8	116.6	174	180	0	0	0	0	107.6	S53	S53-V55 PolarHBondContact O-N 2.82Å
56	G	76.3	Confident	87	Confident	19 Å²	19	70 Å²	70	20%	0.196	39%	0.386	C	S	.	.	S	Bend	trans	78.2	-127.3	-177.7	0	0	0	0	0	112.8	A79	G56-A79 WeakPolarHBondContact O-CB 3.1Å; G56-A79 PolarHBondContact O-N 3.1Å
57	I	82.6	Confident	86.6	Confident	41 Å²	41	74.3 Å²	74.3	21%	0.21	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	131.9	-177.3	-57.4	-178.4	0	0	0	108.6	W76 D77 T78 I87 Y91	I57-W76 HydrophobicContact CG2-CB 4.23Å; I57-W76 HydrophobicContact CG2-CE3 3.7Å; I57-D77 CarbonylContact C-O 3.43Å; I57-D77 VanDerWaalsContact CA-O 3.27Å; I57-D77 WeakPolarHBondContact CA-O 3.46Å; I57-D77 WeakPolarHBondContact CG2-O 3.24Å; I57-T78 HydrophobicContact CD1-CG2 4.31Å; I57-T78 HydrophobicContact CG1-CG2 4.38Å; I57-T78 HydrophobicContact CG2-CG2 4.44Å; I57-I87 HydrophobicContact CD1-CG2 4.33Å; I57-Y91 HydrophobicContact CD1-CD1 4.11Å; I57-Y91 HydrophobicContact CD1-CD2 3.19Å; I57-Y91 HydrophobicContact CD1-CE1 4.16Å; I57-Y91 HydrophobicContact CD1-CE2 3.27Å; I57-Y91 HydrophobicContact CD1-CG 3.64Å
58	D	87	Confident	86.3	Confident	74 Å²	74	79 Å²	79	40%	0.396	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	157.7	172.3	-160.5	4.3	0	0	0	110.6	W76 D77	D58-W76 WeakPolarHBondContact O-CA 3.32Å; D58-D77 HydrophobicContact CB-CB 4.31Å; D58-D77 PolarHBondContact N-O 3.42Å; D58-D77 PolarHBondContact O-N 3.09Å
59	F	89.1	Confident	86.4	Confident	80 Å²	80	79.6 Å²	79.6	35%	0.351	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	126.9	-170.7	174.9	-103.2	0	0	0	111.6	V61 Q74 W76	F59-V61 HydrophobicContact CD1-CG2 4.46Å; F59-V61 HydrophobicContact CE1-CG2 3.42Å; F59-V61 VanDerWaalsContact CE1-CG2 3.42Å; F59-V61 HydrophobicContact CE2-CG2 4.39Å; F59-V61 HydrophobicContact CZ-CG2 3.38Å; F59-Q74 HydrophobicContact CE2-CB 3.8Å; F59-Q74 HydrophobicContact CE2-CG 3.94Å; F59-Q74 HydrophobicContact CZ-CB 4.27Å; F59-Q74 HydrophobicContact CZ-CG 3.91Å; F59-W76 HydrophobicContact CB-CE3 4.32Å; F59-W76 HydrophobicContact CB-CZ3 4.37Å; F59-W76 AromaticContact CD2-CD2 3.72Å; F59-W76 HydrophobicContact CD2-CD2 3.72Å; F59-W76 AromaticContact CD2-CE2 3.55Å; F59-W76 AromaticContact CD2-CE3 3.97Å; F59-W76 HydrophobicContact CD2-CE3 3.97Å; F59-W76 HydrophobicContact CD2-CG 4.28Å; F59-W76 HydrophobicContact CD2-CH2 4.03Å; F59-W76 AromaticContact CD2-CZ2 3.74Å; F59-W76 HydrophobicContact CD2-CZ2 3.74Å; F59-W76 HydrophobicContact CD2-CZ3 4.12Å; F59-W76 AromaticContact CD2-NE1 3.93Å; F59-W76 HydrophobicContact CE2-CD2 4.36Å; F59-W76 AromaticContact CE2-CE2 3.73Å; F59-W76 HydrophobicContact CE2-CH2 4.41Å; F59-W76 AromaticContact CE2-CZ2 3.79Å; F59-W76 HydrophobicContact CE2-CZ2 3.79Å; F59-W76 AromaticContact CE2-NE1 3.84Å
60	K	92.7	Very high	86.8	Confident	59 Å²	59	75.8 Å²	75.8	26%	0.257	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	138.8	176.1	-159.8	96.6	-175.1	-160.8	0	110.6	L39 A43 D44 I75	L39-K60 HydrophobicContact CD1-CB 4.16Å; L39-K60 HydrophobicContact CD2-CB 4.02Å; L39-K60 HydrophobicContact CG-CB 4.35Å; A43-K60 HydrophobicContact CB-CD 4.09Å; A43-K60 HydrophobicContact CB-CG 3.96Å; D44-K60 WeakPolarHBondContact OD1-CE 3.23Å; D44-K60 IonicContact OD1-NZ 3.63Å; D44-K60 PolarHBondContact OD1-NZ 3.26Å; D44-K60 IonicContact OD2-NZ 2.73Å; D44-K60 PolarHBondContact OD2-NZ 3.3Å; K60-I75 PolarHBondContact N-O 2.89Å; K60-I75 PolarHBondContact O-N 3.37Å
61	V	93.7	Very high	87.4	Confident	71 Å²	71	73 Å²	73	43%	0.43	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	129.2	168.5	-178.6	0	0	0	0	109.4	F59 L73	F59-V61 HydrophobicContact CD1-CG2 4.46Å; F59-V61 HydrophobicContact CE1-CG2 3.42Å; F59-V61 VanDerWaalsContact CE1-CG2 3.42Å; F59-V61 HydrophobicContact CE2-CG2 4.39Å; F59-V61 HydrophobicContact CZ-CG2 3.38Å; V61-L73 VanDerWaalsContact CA-O 3.29Å; V61-L73 WeakPolarHBondContact CA-O 3.2Å
62	K	93.8	Very high	88.2	Confident	58 Å²	58	68.4 Å²	68.4	25%	0.252	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	130.3	171.3	-162.5	-174.2	-178.8	94.8	0	109.5	Y42 A43 L73	Y42-K62 HydrophobicContact CD1-CD 3.89Å; Y42-K62 HydrophobicContact CE1-CD 3.28Å; Y42-K62 HydrophobicContact CE1-CG 4.5Å; Y42-K62 HydrophobicContact CE2-CD 4.27Å; Y42-K62 PolarHBondContact O-NZ 2.88Å; A43-K62 PolarHBondContact O-NZ 3.5Å; A43-K62 VanDerWaalsContact O-NZ 3.12Å; K62-L73 PolarHBondContact N-O 2.91Å; K62-L73 WeakPolarHBondContact O-CB 3.33Å; K62-L73 PolarHBondContact O-N 3Å
63	T	94	Very high	89	Confident	45 Å²	45	62.9 Å²	62.9	28%	0.276	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	130.6	172.3	-61.7	0	0	0	0	109	Y65 R70 I71	T63-Y65 HydrophobicContact CG2-CE2 4.26Å; T63-R70 HydrophobicContact CG2-CG 3.47Å; T63-R70 VanDerWaalsContact CG2-CG 3.47Å; T63-R70 VanDerWaalsContact CG2-NE 3.25Å; T63-I71 WeakPolarHBondContact CA-O 3.36Å
64	V	94.5	Very high	89.6	Confident	15 Å²	15	62.9 Å²	62.9	9%	0.091	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	160.5	172.1	-58.2	0	0	0	0	110.3	Y42 I71 L73 V180	Y42-V64 WeakPolarHBondContact OH-CG1 3.38Å; V64-I71 HydrophobicContact CG2-CB 3.93Å; V64-I71 HydrophobicContact CG2-CG2 4.48Å; V64-I71 PolarHBondContact N-O 2.97Å; V64-I71 PolarHBondContact O-N 2.98Å; V64-L73 HydrophobicContact CG1-CD1 3.8Å; V64-L73 HydrophobicContact CG1-CG 4.36Å; V64-L73 HydrophobicContact CG2-CD1 4.02Å; V64-L73 HydrophobicContact CG2-CD2 4.17Å; V64-L73 HydrophobicContact CG2-CG 4.02Å; V64-V180 HydrophobicContact CG2-CG1 4.44Å
65	Y	92.2	Very high	90.5	Very high	145 Å²	145	61.4 Å²	61.4	57%	0.569	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.5	176.3	-69.1	-95.1	0	0	0	109.7	T63 K69 R70	T63-Y65 HydrophobicContact CG2-CE2 4.26Å; Y65-K69 WeakPolarHBondContact CA-O 3.49Å; Y65-R70 HydrophobicContact CD1-CB 4.14Å; Y65-R70 HydrophobicContact CD1-CG 4.41Å; Y65-R70 HydrophobicContact CE1-CB 3.86Å; Y65-R70 HydrophobicContact CE1-CG 3.91Å
66	R	89	Confident	91.2	Very high	49 Å²	49	58.6 Å²	58.6	19%	0.185	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	127.9	177.9	-73.1	-65.3	178.8	-95.1	2.2	110.1	D68 K69 I71 E177 V180 D181	R66-D68 VanDerWaalsContact C-N 3.27Å; R66-D68 PolarHBondContact O-N 2.73Å; R66-K69 PolarHBondContact N-O 2.82Å; R66-K69 WeakPolarHBondContact O-CA 3.32Å; R66-K69 VanDerWaalsContact O-CB 3.24Å; R66-K69 WeakPolarHBondContact O-CB 3.24Å; R66-K69 PolarHBondContact O-N 3.48Å; R66-I71 HydrophobicContact CB-CD1 3.89Å; R66-I71 HydrophobicContact CG-CD1 4.27Å; R66-E177 IonicContact CZ-OE1 2.76Å; R66-E177 IonicContact NH1-OE1 3.77Å; R66-E177 IonicContact NH2-OE1 3.61Å; R66-E177 PolarHBondContact NH2-OE1 3.19Å; R66-E177 IonicContact NH2-OE2 4Å; R66-V180 HydrophobicContact CG-CG1 3.9Å; R66-D181 WeakPolarHBondContact CD-OD1 3.45Å; R66-D181 IonicContact NE-OD1 2.8Å; R66-D181 PolarHBondContact NE-OD1 3.19Å
67	H	86.6	Confident	92	Very high	155 Å²	155	57.7 Å²	57.7	72%	0.718	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	46.2	178.2	-51.7	104.3	0	0	0	113	K69	H67-K69 PolarHBondContact O-N 2.93Å
68	D	85.7	Confident	92.2	Very high	165 Å²	165	55.8 Å²	55.8	88%	0.882	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	10.7	-174.4	-58.7	-42.2	0	0	0	115.9	R66	R66-D68 VanDerWaalsContact C-N 3.27Å; R66-D68 PolarHBondContact O-N 2.73Å
69	K	91.4	Very high	91.9	Very high	82 Å²	82	52.3 Å²	52.3	36%	0.357	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	133.7	173.1	-58.7	-63	-174.1	-176.5	0	110.5	D20 Y21 Y65 R66 H67 I71	D20-K69 HydrophobicContact CB-CB 4.14Å; D20-K69 HydrophobicContact CB-CD 3.78Å; D20-K69 WeakPolarHBondContact OD1-CD 3.3Å; D20-K69 IonicContact OD1-NZ 2.93Å; D20-K69 PolarHBondContact OD1-NZ 3.49Å; D20-K69 WeakPolarHBondContact OD2-CA 3.34Å; Y21-K69 HydrophobicContact CD2-CB 4.26Å; Y21-K69 HydrophobicContact CE2-CB 4.27Å; Y21-K69 HydrophobicContact CE2-CD 4.2Å; Y21-K69 HydrophobicContact CE2-CG 4.02Å; Y65-K69 WeakPolarHBondContact CA-O 3.49Å; R66-K69 PolarHBondContact N-O 2.82Å; R66-K69 WeakPolarHBondContact O-CA 3.32Å; R66-K69 VanDerWaalsContact O-CB 3.24Å; R66-K69 WeakPolarHBondContact O-CB 3.24Å; R66-K69 PolarHBondContact O-N 3.48Å; H67-K69 PolarHBondContact O-N 2.93Å; K69-I71 HydrophobicContact CB-CG1 4.43Å
70	R	93.5	Very high	91.1	Very high	34 Å²	34	48.9 Å²	48.9	13%	0.128	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	114.6	172.9	-176.1	170.8	172.3	-163.5	7.8	109.1	A15 D16 N18 F19 D20 Y21 T63 Y65	A15-R70 PolarHBondContact O-NH1 3.31Å; A15-R70 PolarHBondContact O-NH2 2.6Å; D16-R70 IonicContact OD1-NH2 3.63Å; N18-R70 VanDerWaalsContact O-CD 3.27Å; N18-R70 WeakPolarHBondContact O-CD 3.38Å; N18-R70 PolarHBondContact O-NH1 2.91Å; F19-R70 HydrophobicContact CB-CG 4.34Å; D20-R70 PolarHBondContact N-O 2.98Å; D20-R70 PolarHBondContact OD2-N 2.92Å; Y21-R70 PolarHBondContact N-O 3.2Å; T63-R70 HydrophobicContact CG2-CG 3.47Å; T63-R70 VanDerWaalsContact CG2-CG 3.47Å; T63-R70 VanDerWaalsContact CG2-NE 3.25Å; Y65-R70 HydrophobicContact CD1-CB 4.14Å; Y65-R70 HydrophobicContact CD1-CG 4.41Å; Y65-R70 HydrophobicContact CE1-CB 3.86Å; Y65-R70 HydrophobicContact CE1-CG 3.91Å
71	I	95.6	Very high	89.8	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.1	-174.7	-52.6	178.9	0	0	0	108.8	Y21 F23 T63 V64 R66 K69 L73 V180	Y21-I71 HydrophobicContact CD2-CG1 4.38Å; Y21-I71 CarbonylContact O-C 3.56Å; Y21-I71 WeakPolarHBondContact O-CA 3.18Å; F23-I71 HydrophobicContact CD1-CG2 4.27Å; F23-I71 HydrophobicContact CD2-CG2 3.63Å; F23-I71 HydrophobicContact CE1-CG2 4.39Å; F23-I71 HydrophobicContact CE2-CD1 4.02Å; F23-I71 HydrophobicContact CE2-CG2 3.8Å; F23-I71 HydrophobicContact CG-CG2 3.88Å; F23-I71 HydrophobicContact CZ-CD1 4.25Å; F23-I71 HydrophobicContact CZ-CG2 4.17Å; T63-I71 WeakPolarHBondContact CA-O 3.36Å; V64-I71 HydrophobicContact CG2-CB 3.93Å; V64-I71 HydrophobicContact CG2-CG2 4.48Å; V64-I71 PolarHBondContact N-O 2.97Å; V64-I71 PolarHBondContact O-N 2.98Å; R66-I71 HydrophobicContact CB-CD1 3.89Å; R66-I71 HydrophobicContact CG-CD1 4.27Å; K69-I71 HydrophobicContact CB-CG1 4.43Å; I71-L73 HydrophobicContact CG2-CD2 3.78Å; I71-V180 HydrophobicContact CD1-CG1 3.8Å
72	K	95.5	Very high	88.2	Confident	33 Å²	33	50 Å²	50	14%	0.143	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	116.6	170.4	-78.1	-167.6	176.7	-172.9	0	110.3	D16 F19 Y21 M22 F23	D16-K72 WeakPolarHBondContact O-CE 3.36Å; D16-K72 PolarHBondContact O-NZ 3.26Å; F19-K72 HydrophobicContact CB-CD 4.27Å; F19-K72 HydrophobicContact CB-CG 3.9Å; F19-K72 HydrophobicContact CD1-CD 3.46Å; F19-K72 VanDerWaalsContact CD1-CD 3.46Å; F19-K72 HydrophobicContact CD1-CG 4.05Å; F19-K72 HydrophobicContact CD2-CB 4.46Å; F19-K72 HydrophobicContact CD2-CD 4.38Å; F19-K72 HydrophobicContact CD2-CG 4.37Å; F19-K72 HydrophobicContact CE1-CD 3.85Å; F19-K72 HydrophobicContact CG-CB 4.4Å; F19-K72 HydrophobicContact CG-CD 3.76Å; F19-K72 HydrophobicContact CG-CG 3.82Å; F19-K72 HydrophobicContact CZ-CD 4.47Å; Y21-K72 PolarHBondContact O-N 3.31Å; M22-K72 CarbonylContact C-O 3.59Å; M22-K72 VanDerWaalsContact CA-O 3.29Å; M22-K72 WeakPolarHBondContact CA-O 3.45Å; M22-K72 HydrophobicContact CE-CD 4.39Å; M22-K72 HydrophobicContact CG-CB 4.41Å; F23-K72 PolarHBondContact N-O 2.89Å
73	L	96.7	Very high	86.7	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	120.8	172.6	-49.5	-177.4	0	0	0	109	F23 L25 Y42 V61 K62 V64 I71 I75 V180	F23-L73 HydrophobicContact CB-CD2 4Å; F23-L73 HydrophobicContact CD2-CD2 4.11Å; F23-L73 HydrophobicContact CG-CD2 4.44Å; L25-L73 HydrophobicContact CD1-CB 4.26Å; L25-L73 HydrophobicContact CD1-CD1 4.21Å; L25-L73 HydrophobicContact CD1-CD2 4.16Å; L25-L73 HydrophobicContact CD1-CG 4.44Å; Y42-L73 HydrophobicContact CE1-CD1 4.36Å; V61-L73 VanDerWaalsContact CA-O 3.29Å; V61-L73 WeakPolarHBondContact CA-O 3.2Å; K62-L73 PolarHBondContact N-O 2.91Å; K62-L73 WeakPolarHBondContact O-CB 3.33Å; K62-L73 PolarHBondContact O-N 3Å; V64-L73 HydrophobicContact CG1-CD1 3.8Å; V64-L73 HydrophobicContact CG1-CG 4.36Å; V64-L73 HydrophobicContact CG2-CD1 4.02Å; V64-L73 HydrophobicContact CG2-CD2 4.17Å; V64-L73 HydrophobicContact CG2-CG 4.02Å; I71-L73 HydrophobicContact CG2-CD2 3.78Å; L73-I75 HydrophobicContact CB-CD1 4.23Å; L73-I75 HydrophobicContact CB-CG1 3.97Å; L73-V180 HydrophobicContact CD1-CG2 3.86Å; L73-V180 HydrophobicContact CD2-CG2 3.59Å; L73-V180 HydrophobicContact CG-CG2 4.37Å
74	Q	95.9	Very high	85.4	Confident	52 Å²	52	56.4 Å²	56.4	24%	0.243	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	98.8	168.6	-77.8	-168.8	-30.9	0	0	108	M22 F23 L25 F59	M22-Q74 HydrophobicContact CG-CG 4.08Å; M22-Q74 HydrophobicContact SD-CG 4.05Å; M22-Q74 PolarHBondContact SD-NE2 3.23Å; M22-Q74 VanDerWaalsContact SD-NE2 3.43Å; F23-Q74 PolarHBondContact O-N 3.46Å; L25-Q74 PolarHBondContact N-O 2.85Å; F59-Q74 HydrophobicContact CE2-CB 3.8Å; F59-Q74 HydrophobicContact CE2-CG 3.94Å; F59-Q74 HydrophobicContact CZ-CB 4.27Å; F59-Q74 HydrophobicContact CZ-CG 3.91Å
75	I	96.1	Very high	84.1	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120.2	-172.3	-46.6	169.2	0	0	0	108.9	L25 L27 L39 Y42 K60 L73 F176	L25-I75 HydrophobicContact CB-CG1 4.46Å; L25-I75 HydrophobicContact CD1-CG1 4.35Å; L25-I75 WeakPolarHBondContact O-CA 3.29Å; L27-I75 HydrophobicContact CD1-CG2 4.47Å; L27-I75 HydrophobicContact CD2-CG2 4.27Å; L27-I75 HydrophobicContact CG-CG2 4.16Å; L39-I75 HydrophobicContact CD1-CB 3.95Å; L39-I75 HydrophobicContact CD1-CD1 3.84Å; L39-I75 HydrophobicContact CD1-CG2 3.64Å; L39-I75 HydrophobicContact CD2-CG2 4.33Å; Y42-I75 HydrophobicContact CD1-CD1 3.94Å; Y42-I75 HydrophobicContact CE1-CD1 3.76Å; K60-I75 PolarHBondContact N-O 2.89Å; K60-I75 PolarHBondContact O-N 3.37Å; L73-I75 HydrophobicContact CB-CD1 4.23Å; L73-I75 HydrophobicContact CB-CG1 3.97Å; I75-F176 HydrophobicContact CD1-CD1 4.33Å; I75-F176 HydrophobicContact CD1-CE1 3.84Å; I75-F176 HydrophobicContact CD1-CZ 4.47Å; I75-F176 HydrophobicContact CG1-CE1 4.43Å; I75-F176 HydrophobicContact CG2-CE1 4.1Å; I75-F176 HydrophobicContact CG2-CZ 4.47Å
76	W	94.3	Very high	82.7	Confident	53 Å²	53	57.9 Å²	57.9	20%	0.201	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	115.6	-178.7	-62.4	82.3	0	0	0	109.1	L25 L26 L27 I57 D58 F59 Y91	L25-W76 PolarHBondContact O-N 3.42Å; L26-W76 WeakPolarHBondContact CA-O 3.27Å; L26-W76 HydrophobicContact CD1-CB 4.16Å; L26-W76 HydrophobicContact CD1-CG 4.24Å; L26-W76 HydrophobicContact CG-CB 3.97Å; L27-W76 PolarHBondContact N-O 2.8Å; I57-W76 HydrophobicContact CG2-CB 4.23Å; I57-W76 HydrophobicContact CG2-CE3 3.7Å; D58-W76 WeakPolarHBondContact O-CA 3.32Å; F59-W76 HydrophobicContact CB-CE3 4.32Å; F59-W76 HydrophobicContact CB-CZ3 4.37Å; F59-W76 AromaticContact CD2-CD2 3.72Å; F59-W76 HydrophobicContact CD2-CD2 3.72Å; F59-W76 AromaticContact CD2-CE2 3.55Å; F59-W76 AromaticContact CD2-CE3 3.97Å; F59-W76 HydrophobicContact CD2-CE3 3.97Å; F59-W76 HydrophobicContact CD2-CG 4.28Å; F59-W76 HydrophobicContact CD2-CH2 4.03Å; F59-W76 AromaticContact CD2-CZ2 3.74Å; F59-W76 HydrophobicContact CD2-CZ2 3.74Å; F59-W76 HydrophobicContact CD2-CZ3 4.12Å; F59-W76 AromaticContact CD2-NE1 3.93Å; F59-W76 HydrophobicContact CE2-CD2 4.36Å; F59-W76 AromaticContact CE2-CE2 3.73Å; F59-W76 HydrophobicContact CE2-CH2 4.41Å; F59-W76 AromaticContact CE2-CZ2 3.79Å; F59-W76 HydrophobicContact CE2-CZ2 3.79Å; F59-W76 AromaticContact CE2-NE1 3.84Å; W76-Y91 HydrophobicContact CD2-CD1 4.11Å; W76-Y91 AromaticContact CE3-CD1 3.69Å; W76-Y91 HydrophobicContact CE3-CD1 3.69Å; W76-Y91 AromaticContact CE3-CE1 3.75Å; W76-Y91 HydrophobicContact CE3-CE1 3.75Å; W76-Y91 HydrophobicContact CH2-CD1 4.16Å; W76-Y91 AromaticContact CH2-CE1 3.85Å; W76-Y91 HydrophobicContact CH2-CE1 3.85Å; W76-Y91 AromaticContact CZ3-CD1 3.72Å; W76-Y91 HydrophobicContact CZ3-CD1 3.72Å; W76-Y91 AromaticContact CZ3-CE1 3.34Å; W76-Y91 HydrophobicContact CZ3-CE1 3.34Å
77	D	92.5	Very high	81.7	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	116	174.8	176.3	40.6	0	0	0	109.8	L27 K35 T36 L39 I57 D58	L27-D77 HydrophobicContact CD1-CB 4.41Å; K35-D77 WeakPolarHBondContact CB-OD1 3.38Å; T36-D77 WeakPolarHBondContact CA-OD2 3.29Å; T36-D77 VanDerWaalsContact CB-OD2 3.23Å; T36-D77 WeakPolarHBondContact CB-OD2 3.29Å; T36-D77 WeakPolarHBondContact CG2-OD2 3.35Å; T36-D77 PolarHBondContact N-OD1 2.85Å; T36-D77 PolarHBondContact OG1-OD2 3.01Å; L39-D77 HydrophobicContact CD2-CB 3.76Å; I57-D77 CarbonylContact C-O 3.43Å; I57-D77 VanDerWaalsContact CA-O 3.27Å; I57-D77 WeakPolarHBondContact CA-O 3.46Å; I57-D77 WeakPolarHBondContact CG2-O 3.24Å; D58-D77 HydrophobicContact CB-CB 4.31Å; D58-D77 PolarHBondContact N-O 3.42Å; D58-D77 PolarHBondContact O-N 3.09Å
78	T	87.2	Confident	81.2	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	147.9	-173.9	73.9	0	0	0	0	112.6	L27 I28 K35 I57 G80 T88	L27-T78 PolarHBondContact O-OG1 3.29Å; I28-T78 HydrophobicContact CD1-CG2 3.78Å; K35-T78 WeakPolarHBondContact CE-O 3.41Å; K35-T78 PolarHBondContact NZ-O 2.91Å; I57-T78 HydrophobicContact CD1-CG2 4.31Å; I57-T78 HydrophobicContact CG1-CG2 4.38Å; I57-T78 HydrophobicContact CG2-CG2 4.44Å; T78-G80 PolarHBondContact O-N 3.35Å; T78-T88 HydrophobicContact CG2-CG2 4Å
79	A	80.6	Confident	80.8	Confident	2 Å²	2	45.7 Å²	45.7	2%	0.017	21%	0.21	C	C	.	.			trans	-63	129.6	164.6	0	0	0	0	0	109.9	T54 G56 Q81 Y84	T54-A79 WeakPolarHBondContact O-CB 3.2Å; G56-A79 WeakPolarHBondContact O-CB 3.1Å; G56-A79 PolarHBondContact O-N 3.1Å; A79-Q81 VanDerWaalsContact C-N 3.29Å; A79-Q81 PolarHBondContact O-N 3.37Å; A79-Y84 HydrophobicContact CB-CD2 3.59Å; A79-Y84 HydrophobicContact CB-CE2 4.34Å; A79-Y84 HydrophobicContact CB-CG 4.17Å
80	G	71.5	Confident	80.3	Confident	7 Å²	7	45.1 Å²	45.1	7%	0.072	22%	0.22	C	C	.	.			trans	-88.3	11.9	178.7	0	0	0	0	0	114.5	G29 N30 S31 T78	G29-G80 WeakPolarHBondContact O-CA 3.37Å; N30-G80 CarbonylContact C-O 3.59Å; S31-G80 PolarHBondContact N-O 2.84Å; S31-G80 PolarHBondContact OG-O 2.85Å; S31-G80 VanDerWaalsContact OG-O 3.12Å; T78-G80 PolarHBondContact O-N 3.35Å
81	Q	66.4	Low	80	Confident	33 Å²	33	47.1 Å²	47.1	15%	0.154	23%	0.228	C	C	.	.			trans	-82.7	138.7	179	-66.6	-178.3	56.9	0	0	109.6	S31 A79 R83 Y84	S31-Q81 WeakPolarHBondContact OG-CA 3.24Å; S31-Q81 WeakPolarHBondContact OG-CG 3.37Å; S31-Q81 PolarHBondContact OG-N 2.73Å; A79-Q81 VanDerWaalsContact C-N 3.29Å; A79-Q81 PolarHBondContact O-N 3.37Å; Q81-R83 PolarHBondContact O-N 2.96Å; Q81-Y84 HydrophobicContact CB-CD2 3.9Å; Q81-Y84 HydrophobicContact CB-CE2 4.37Å; Q81-Y84 PolarHBondContact O-N 3.26Å
82	E	59.6	Low	79.7	Confident	122 Å²	122	47 Å²	47	57%	0.57	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-49.4	-40	175.3	66.6	-60.1	142	0	0	112.8	Y84 R85	E82-Y84 PolarHBondContact O-N 3.37Å; E82-Y84 VanDerWaalsContact O-N 3.08Å; E82-R85 WeakPolarHBondContact O-CB 3.41Å; E82-R85 PolarHBondContact O-N 2.99Å; E82-R85 VanDerWaalsContact O-N 3.09Å
83	R	62.9	Low	79.3	Confident	179 Å²	179	54.1 Å²	54.1	68%	0.675	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-59.4	-20.8	176.9	-69.8	-175.2	-66.7	164.8	2.2	114.2	Q81	Q81-R83 PolarHBondContact O-N 2.96Å
84	Y	65.5	Low	79	Confident	57 Å²	57	55.7 Å²	55.7	22%	0.224	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-107.1	5	-180	-58	-58.7	0	0	0	113.8	A79 Q81 E82 T86 I87 T88	A79-Y84 HydrophobicContact CB-CD2 3.59Å; A79-Y84 HydrophobicContact CB-CE2 4.34Å; A79-Y84 HydrophobicContact CB-CG 4.17Å; Q81-Y84 HydrophobicContact CB-CD2 3.9Å; Q81-Y84 HydrophobicContact CB-CE2 4.37Å; Q81-Y84 PolarHBondContact O-N 3.26Å; E82-Y84 PolarHBondContact O-N 3.37Å; E82-Y84 VanDerWaalsContact O-N 3.08Å; Y84-T86 VanDerWaalsContact C-N 3.31Å; Y84-T86 PolarHBondContact O-N 3.39Å; Y84-I87 HydrophobicContact CD1-CD1 3.89Å; Y84-I87 PolarHBondContact O-N 3.36Å; Y84-T88 PolarHBondContact O-N 3.2Å; Y84-T88 PolarHBondContact O-OG1 3.45Å
85	R	66.8	Low	78.9	Confident	72 Å²	72	53.2 Å²	53.2	27%	0.272	26%	0.258	S	S	.	.	H	α-helix	trans	-55.1	-42.8	179.4	-80.7	178.8	174.9	-170.6	-0	112.5	E82 I87 T88 T89 W116	E82-R85 WeakPolarHBondContact O-CB 3.41Å; E82-R85 PolarHBondContact O-N 2.99Å; E82-R85 VanDerWaalsContact O-N 3.09Å; R85-I87 VanDerWaalsContact C-N 3.33Å; R85-I87 PolarHBondContact O-N 3.46Å; R85-T88 WeakPolarHBondContact O-CB 3.28Å; R85-T88 PolarHBondContact O-N 2.97Å; R85-T88 VanDerWaalsContact O-N 3.15Å; R85-T89 PolarHBondContact O-N 3.04Å; R85-W116 HydrophobicContact CG-CH2 3.74Å; R85-W116 HydrophobicContact CG-CZ3 4.17Å
86	T	64.2	Low	78.8	Confident	120 Å²	120	55.5 Å²	55.5	74%	0.736	27%	0.269	S	S	*	.	H	α-helix	trans	-65	-34.2	177.8	-47.9	0	0	0	0	113.2	Y84 T88 T89	Y84-T86 VanDerWaalsContact C-N 3.31Å; Y84-T86 PolarHBondContact O-N 3.39Å; T86-T88 VanDerWaalsContact C-N 3.31Å; T86-T89 PolarHBondContact O-OG1 2.89Å; T86-T89 VanDerWaalsContact O-OG1 3.06Å
87	I	67.9	Low	78.9	Confident	81 Å²	81	53 Å²	53	42%	0.415	26%	0.26	S	S	.	.	H	α-helix	trans	-68.8	-39.1	175.9	-58.7	-176.1	0	0	0	109.3	I57 Y84 R85 T89 A90 Y91	I57-I87 HydrophobicContact CD1-CG2 4.33Å; Y84-I87 HydrophobicContact CD1-CD1 3.89Å; Y84-I87 PolarHBondContact O-N 3.36Å; R85-I87 VanDerWaalsContact C-N 3.33Å; R85-I87 PolarHBondContact O-N 3.46Å; I87-T89 PolarHBondContact O-N 3.36Å; I87-A90 PolarHBondContact O-N 2.86Å; I87-Y91 HydrophobicContact CG2-CE2 4.1Å; I87-Y91 WeakPolarHBondContact O-CD2 3.44Å
88	T	74.9	Confident	79.2	Confident	1 Å²	1	53 Å²	53	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-63.4	-42.4	-176.6	-58.2	0	0	0	0	112.3	I28 T78 Y84 R85 T86 A90 Y91 Y92	I28-T88 HydrophobicContact CD1-CG2 3.72Å; T78-T88 HydrophobicContact CG2-CG2 4Å; Y84-T88 PolarHBondContact O-N 3.2Å; Y84-T88 PolarHBondContact O-OG1 3.45Å; R85-T88 WeakPolarHBondContact O-CB 3.28Å; R85-T88 PolarHBondContact O-N 2.97Å; R85-T88 VanDerWaalsContact O-N 3.15Å; T86-T88 VanDerWaalsContact C-N 3.31Å; T88-A90 VanDerWaalsContact C-N 3.29Å; T88-A90 PolarHBondContact O-N 3.26Å; T88-Y91 PolarHBondContact O-N 2.96Å; T88-Y92 HydrophobicContact CG2-CD1 4.49Å; T88-Y92 HydrophobicContact CG2-CE1 3.48Å; T88-Y92 VanDerWaalsContact CG2-CE1 3.48Å; T88-Y92 WeakPolarHBondContact O-CD1 3.1Å; T88-Y92 WeakPolarHBondContact O-CE1 3.46Å
89	T	78.3	Confident	79.7	Confident	30 Å²	30	53 Å²	53	18%	0.184	26%	0.26	C	S	.	.	H	α-helix	trans	-63.8	-30.4	-178.3	56.8	0	0	0	0	113.5	R85 T86 I87 Y91 Y92 Y123	R85-T89 PolarHBondContact O-N 3.04Å; T86-T89 PolarHBondContact O-OG1 2.89Å; T86-T89 VanDerWaalsContact O-OG1 3.06Å; I87-T89 PolarHBondContact O-N 3.36Å; T89-Y91 PolarHBondContact O-N 2.9Å; T89-Y92 WeakPolarHBondContact O-CB 3.44Å; T89-Y92 PolarHBondContact O-N 2.91Å; T89-Y92 VanDerWaalsContact O-N 3.08Å; T89-Y123 HydrophobicContact CG2-CD2 3.6Å; T89-Y123 HydrophobicContact CG2-CE2 3.72Å; T89-Y123 HydrophobicContact CG2-CG 4.37Å
90	A	81.5	Confident	80.5	Confident	70 Å²	70	52.9 Å²	52.9	58%	0.579	26%	0.259	S	S	*	.	H	α-helix	trans	-60.9	-27.4	175.7	0	0	0	0	0	112.7	I87 T88	I87-A90 PolarHBondContact O-N 2.86Å; T88-A90 VanDerWaalsContact C-N 3.29Å; T88-A90 PolarHBondContact O-N 3.26Å
91	Y	85.5	Confident	81.7	Confident	76 Å²	76	52.6 Å²	52.6	30%	0.298	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-10	179.7	-69	-99.4	0	0	0	113	K24 I57 W76 I87 T88 T89 R93	K24-Y91 WeakPolarHBondContact CE-O 3.42Å; K24-Y91 PolarHBondContact NZ-O 2.83Å; I57-Y91 HydrophobicContact CD1-CD1 4.11Å; I57-Y91 HydrophobicContact CD1-CD2 3.19Å; I57-Y91 HydrophobicContact CD1-CE1 4.16Å; I57-Y91 HydrophobicContact CD1-CE2 3.27Å; I57-Y91 HydrophobicContact CD1-CG 3.64Å; W76-Y91 HydrophobicContact CD2-CD1 4.11Å; W76-Y91 AromaticContact CE3-CD1 3.69Å; W76-Y91 HydrophobicContact CE3-CD1 3.69Å; W76-Y91 AromaticContact CE3-CE1 3.75Å; W76-Y91 HydrophobicContact CE3-CE1 3.75Å; W76-Y91 HydrophobicContact CH2-CD1 4.16Å; W76-Y91 AromaticContact CH2-CE1 3.85Å; W76-Y91 HydrophobicContact CH2-CE1 3.85Å; W76-Y91 AromaticContact CZ3-CD1 3.72Å; W76-Y91 HydrophobicContact CZ3-CD1 3.72Å; W76-Y91 AromaticContact CZ3-CE1 3.34Å; W76-Y91 HydrophobicContact CZ3-CE1 3.34Å; I87-Y91 HydrophobicContact CG2-CE2 4.1Å; I87-Y91 WeakPolarHBondContact O-CD2 3.44Å; T88-Y91 PolarHBondContact O-N 2.96Å; T89-Y91 PolarHBondContact O-N 2.9Å; Y91-R93 PolarHBondContact O-N 3.3Å
92	Y	89.6	Confident	83.3	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-27.3	-178.9	-71.3	17	0	0	0	111.3	L26 I28 T88 T89 G94 A95 F98 Q119 I120	L26-Y92 HydrophobicContact CD2-CD1 3.52Å; L26-Y92 HydrophobicContact CD2-CE1 3.92Å; I28-Y92 HydrophobicContact CD1-CE1 3.55Å; I28-Y92 HydrophobicContact CG1-CE1 4.22Å; T88-Y92 HydrophobicContact CG2-CD1 4.49Å; T88-Y92 HydrophobicContact CG2-CE1 3.48Å; T88-Y92 VanDerWaalsContact CG2-CE1 3.48Å; T88-Y92 WeakPolarHBondContact O-CD1 3.1Å; T88-Y92 WeakPolarHBondContact O-CE1 3.46Å; T89-Y92 WeakPolarHBondContact O-CB 3.44Å; T89-Y92 PolarHBondContact O-N 2.91Å; T89-Y92 VanDerWaalsContact O-N 3.08Å; Y92-G94 PolarHBondContact O-N 3.22Å; Y92-A95 VanDerWaalsContact O-CB 3.25Å; Y92-A95 WeakPolarHBondContact O-CB 3.3Å; Y92-A95 PolarHBondContact O-N 2.91Å; Y92-F98 AromaticContact CD1-CE1 3.82Å; Y92-F98 HydrophobicContact CD1-CE1 3.82Å; Y92-F98 HydrophobicContact CD1-CZ 4.37Å; Y92-F98 HydrophobicContact CD2-CE1 4.2Å; Y92-F98 HydrophobicContact CD2-CZ 4.35Å; Y92-F98 HydrophobicContact CE1-CE1 4.08Å; Y92-F98 HydrophobicContact CE2-CE1 4.48Å; Y92-F98 AromaticContact CG-CE1 3.89Å; Y92-F98 HydrophobicContact CG-CE1 3.89Å; Y92-F98 HydrophobicContact CG-CZ 4.03Å; Y92-Q119 HydrophobicContact CE2-CB 4Å; Y92-I120 HydrophobicContact CD2-CG1 4.43Å; Y92-I120 HydrophobicContact CE2-CB 4.4Å; Y92-I120 HydrophobicContact CE2-CG1 3.81Å
93	R	87.4	Confident	85.1	Confident	182 Å²	182	45.7 Å²	45.7	69%	0.687	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	124.8	177.3	-172.3	168.1	178.4	78.3	0.5	110.9	K24 Y91 A95	K24-R93 PolarHBondContact NZ-O 2.93Å; Y91-R93 PolarHBondContact O-N 3.3Å; R93-A95 PolarHBondContact O-N 2.81Å
94	G	89.8	Confident	86.8	Confident	32 Å²	32	37.2 Å²	37.2	33%	0.33	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	5.4	-178.7	0	0	0	0	0	114.6	Y92 M96	Y92-G94 PolarHBondContact O-N 3.22Å; G94-M96 PolarHBondContact O-N 2.99Å
95	A	94	Very high	88.4	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.008	19%	0.192	C	C	.	.			trans	-67.5	128.9	168.4	0	0	0	0	0	109.3	K24 L26 Y92 R93 F98	K24-A95 HydrophobicContact CG-CB 4.48Å; L26-A95 HydrophobicContact CD1-CB 3.61Å; Y92-A95 VanDerWaalsContact O-CB 3.25Å; Y92-A95 WeakPolarHBondContact O-CB 3.3Å; Y92-A95 PolarHBondContact O-N 2.91Å; R93-A95 PolarHBondContact O-N 2.81Å; A95-F98 HydrophobicContact CB-CD2 4.5Å; A95-F98 HydrophobicContact CB-CE1 4.1Å; A95-F98 HydrophobicContact CB-CE2 3.61Å; A95-F98 HydrophobicContact CB-CZ 3.39Å
96	M	95.2	Very high	89.8	Confident	47 Å²	47	34.7 Å²	34.7	23%	0.232	19%	0.191	C	C	.	.			trans	-94.3	-26.4	178.9	-61.3	174.7	73.9	0	0	111.2	F23 K24 G94 Q129 I183 M187	F23-M96 HydrophobicContact CB-SD 4.27Å; F23-M96 HydrophobicContact CD1-CE 3.52Å; F23-M96 HydrophobicContact CD1-SD 3.56Å; F23-M96 VanDerWaalsContact CD1-SD 3.56Å; F23-M96 HydrophobicContact CE1-CE 3.65Å; F23-M96 HydrophobicContact CE1-SD 4.3Å; F23-M96 HydrophobicContact CG-CE 4.39Å; F23-M96 HydrophobicContact CG-SD 4.21Å; K24-M96 PolarHBondContact O-N 3.01Å; G94-M96 PolarHBondContact O-N 2.99Å; M96-Q129 PolarHBondContact O-N 2.84Å; M96-I183 HydrophobicContact CB-CD1 4.18Å; M96-I183 HydrophobicContact CB-CG2 4.2Å; M96-I183 HydrophobicContact CE-CG2 3.68Å; M96-M187 HydrophobicContact CE-CE 4.25Å; M96-M187 HydrophobicContact CE-CG 4.15Å; M96-M187 HydrophobicContact CE-SD 3.4Å; M96-M187 WeakPolarHBondContact CE-SD 3.48Å
97	G	96.8	Very high	91.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	148.1	-179.5	0	0	0	0	0	113.2	K24 L25 L26 Q129	K24-G97 PolarHBondContact O-N 3.32Å; L25-G97 CarbonylContact C-O 3.57Å; L25-G97 VanDerWaalsContact CA-O 3.28Å; L25-G97 WeakPolarHBondContact CA-O 3.39Å; L26-G97 PolarHBondContact N-O 2.85Å; G97-Q129 CarbonylContact C-O 3.49Å; G97-Q129 VanDerWaalsContact CA-O 3.24Å; G97-Q129 WeakPolarHBondContact CA-O 3.07Å
98	F	97.2	Very high	92.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.7	175.3	-65.4	-96.2	0	0	0	109.7	L26 I28 Y92 A95 I120 A128 Q129 V130 I131	L26-F98 HydrophobicContact CB-CD1 3.75Å; L26-F98 HydrophobicContact CB-CE1 3.94Å; L26-F98 HydrophobicContact CD2-CD1 4.43Å; L26-F98 HydrophobicContact CD2-CE1 3.78Å; L26-F98 HydrophobicContact CG-CE1 4.37Å; L26-F98 CarbonylContact O-C 3.59Å; L26-F98 WeakPolarHBondContact O-CA 3.06Å; I28-F98 HydrophobicContact CG1-CD1 3.82Å; I28-F98 HydrophobicContact CG1-CE1 4.39Å; Y92-F98 AromaticContact CD1-CE1 3.82Å; Y92-F98 HydrophobicContact CD1-CE1 3.82Å; Y92-F98 HydrophobicContact CD1-CZ 4.37Å; Y92-F98 HydrophobicContact CD2-CE1 4.2Å; Y92-F98 HydrophobicContact CD2-CZ 4.35Å; Y92-F98 HydrophobicContact CE1-CE1 4.08Å; Y92-F98 HydrophobicContact CE2-CE1 4.48Å; Y92-F98 AromaticContact CG-CE1 3.89Å; Y92-F98 HydrophobicContact CG-CE1 3.89Å; Y92-F98 HydrophobicContact CG-CZ 4.03Å; A95-F98 HydrophobicContact CB-CD2 4.5Å; A95-F98 HydrophobicContact CB-CE1 4.1Å; A95-F98 HydrophobicContact CB-CE2 3.61Å; A95-F98 HydrophobicContact CB-CZ 3.39Å; F98-I120 HydrophobicContact CB-CD1 4.14Å; F98-I120 HydrophobicContact CD1-CD1 4.04Å; F98-I120 HydrophobicContact CD1-CG1 3.98Å; F98-I120 HydrophobicContact CD1-CG2 4.37Å; F98-I120 HydrophobicContact CD2-CG2 3.81Å; F98-I120 HydrophobicContact CE1-CG1 4.14Å; F98-I120 HydrophobicContact CE1-CG2 4.38Å; F98-I120 HydrophobicContact CE2-CG2 3.85Å; F98-I120 HydrophobicContact CG-CD1 4.14Å; F98-I120 HydrophobicContact CG-CG1 4.34Å; F98-I120 HydrophobicContact CG-CG2 4.08Å; F98-I120 HydrophobicContact CZ-CG2 4.12Å; F98-A128 HydrophobicContact CD2-CB 4.05Å; F98-A128 HydrophobicContact CE2-CB 3.7Å; F98-Q129 PolarHBondContact N-O 2.8Å; F98-V130 HydrophobicContact CB-CG1 4.2Å; F98-V130 HydrophobicContact CB-CG2 4.18Å; F98-V130 HydrophobicContact CD2-CG2 4.34Å; F98-V130 WeakPolarHBondContact O-CA 3.15Å; F98-I131 PolarHBondContact O-N 2.91Å
99	L	98	Very high	93.8	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	107.3	160.5	-62.3	-174.7	0	0	0	107.5	L26 L27 I28 F38 M101 I131 V133 V175 F176 L179	L26-L99 PolarHBondContact O-N 2.85Å; L27-L99 HydrophobicContact CD2-CB 3.7Å; L27-L99 HydrophobicContact CD2-CD1 3.62Å; L27-L99 HydrophobicContact CD2-CG 3.94Å; I28-L99 PolarHBondContact N-O 3.46Å; F38-L99 HydrophobicContact CE1-CD1 4.06Å; L99-M101 HydrophobicContact CB-CG 4.46Å; L99-I131 HydrophobicContact CD2-CB 3.84Å; L99-I131 HydrophobicContact CD2-CG2 4.41Å; L99-V133 HydrophobicContact CD2-CG2 4.37Å; L99-V175 HydrophobicContact CD1-CG1 3.75Å; L99-V175 HydrophobicContact CD2-CG1 3.46Å; L99-V175 VanDerWaalsContact CD2-CG1 3.46Å; L99-V175 HydrophobicContact CG-CG1 4.27Å; L99-F176 HydrophobicContact CD1-CD1 4.08Å; L99-F176 HydrophobicContact CD1-CD2 4.35Å; L99-F176 HydrophobicContact CD1-CE1 3.74Å; L99-F176 HydrophobicContact CD1-CE2 4.04Å; L99-F176 HydrophobicContact CD1-CG 4.37Å; L99-F176 HydrophobicContact CD1-CZ 3.72Å; L99-L179 HydrophobicContact CD2-CB 4.36Å; L99-L179 HydrophobicContact CD2-CD2 3.68Å; L99-L179 HydrophobicContact CG-CD2 3.89Å
100	L	97.3	Very high	94.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	113.5	174.9	178.1	51.7	0	0	0	108.3	I28 V113 W116 A117 I120 V130 I131 L132 V133 F159	I28-L100 HydrophobicContact CB-CD1 4.31Å; I28-L100 HydrophobicContact CG2-CD1 4.02Å; I28-L100 CarbonylContact O-C 3.55Å; I28-L100 WeakPolarHBondContact O-CA 3.3Å; L100-V113 HydrophobicContact CD2-CG1 3.76Å; L100-V113 HydrophobicContact CG-CG1 4.3Å; L100-W116 HydrophobicContact CD1-CB 3.48Å; L100-W116 VanDerWaalsContact CD1-CB 3.48Å; L100-W116 HydrophobicContact CD1-CG 3.98Å; L100-W116 HydrophobicContact CD2-CB 4.21Å; L100-A117 HydrophobicContact CD2-CB 4.21Å; L100-I120 HydrophobicContact CD2-CD1 4.42Å; L100-V130 HydrophobicContact CB-CG1 4.11Å; L100-I131 PolarHBondContact N-O 2.98Å; L100-L132 HydrophobicContact CB-CD1 4.36Å; L100-L132 HydrophobicContact CD2-CD1 4.34Å; L100-L132 HydrophobicContact CG-CD1 4Å; L100-L132 CarbonylContact O-C 3.52Å; L100-L132 WeakPolarHBondContact O-CA 3.21Å; L100-L132 WeakPolarHBondContact O-CD1 3.29Å; L100-V133 PolarHBondContact O-N 3.05Å; L100-F159 HydrophobicContact CD2-CE2 4.2Å
101	M	98	Very high	95.5	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	137.2	-170.6	-56.1	-172.4	67.7	0	0	111.7	I28 G29 V33 K35 F38 L99 V133 N135	I28-M101 PolarHBondContact O-N 2.87Å; G29-M101 WeakPolarHBondContact CA-O 3.29Å; V33-M101 HydrophobicContact CG2-CB 3.92Å; K35-M101 HydrophobicContact CB-SD 4.21Å; K35-M101 HydrophobicContact CG-CB 4.34Å; K35-M101 HydrophobicContact CG-CG 4.47Å; K35-M101 HydrophobicContact CG-SD 3.88Å; F38-M101 HydrophobicContact CB-CE 3.78Å; F38-M101 HydrophobicContact CB-SD 4.25Å; F38-M101 HydrophobicContact CD1-CE 4.16Å; F38-M101 HydrophobicContact CD1-SD 4.36Å; F38-M101 HydrophobicContact CD2-CE 3.68Å; F38-M101 HydrophobicContact CE2-CE 4.26Å; F38-M101 HydrophobicContact CG-CE 3.62Å; F38-M101 HydrophobicContact CG-SD 4.27Å; L99-M101 HydrophobicContact CB-CG 4.46Å; M101-V133 WeakPolarHBondContact CA-O 3.26Å; M101-V133 HydrophobicContact CE-CG1 4.33Å; M101-V133 HydrophobicContact CG-CB 4.17Å; M101-N135 HydrophobicContact CE-CB 3.69Å
102	Y	98.3	Very high	95.9	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	169.6	163.6	74.6	-85.8	0	0	0	110.1	I104 F110 V113 L132 V133 G134 N135 V145 F161	Y102-I104 HydrophobicContact CE2-CG2 4.03Å; Y102-F110 HydrophobicContact CD1-CD2 4.11Å; Y102-F110 HydrophobicContact CD2-CB 3.89Å; Y102-F110 AromaticContact CD2-CD2 3.9Å; Y102-F110 HydrophobicContact CD2-CD2 3.9Å; Y102-F110 HydrophobicContact CD2-CG 4.34Å; Y102-F110 AromaticContact CE1-CD2 4Å; Y102-F110 HydrophobicContact CE1-CD2 4Å; Y102-F110 HydrophobicContact CE1-CE2 4.36Å; Y102-F110 HydrophobicContact CE2-CB 4.37Å; Y102-F110 AromaticContact CE2-CD2 3.81Å; Y102-F110 HydrophobicContact CE2-CD2 3.81Å; Y102-F110 HydrophobicContact CE2-CG 4.42Å; Y102-F110 HydrophobicContact CG-CB 4.33Å; Y102-F110 HydrophobicContact CG-CD2 4.06Å; Y102-F110 AromaticContact CZ-CD2 3.86Å; Y102-V113 HydrophobicContact CD1-CG2 4.14Å; Y102-V113 HydrophobicContact CG-CG2 4.3Å; Y102-L132 HydrophobicContact CD1-CD1 3.96Å; Y102-L132 HydrophobicContact CD1-CG 4.36Å; Y102-L132 HydrophobicContact CE1-CD1 4.27Å; Y102-L132 HydrophobicContact CE1-CD2 4.32Å; Y102-L132 HydrophobicContact CE1-CG 4.17Å; Y102-V133 PolarHBondContact N-O 2.89Å; Y102-G134 VanDerWaalsContact CE1-CA 3.44Å; Y102-G134 VanDerWaalsContact CZ-CA 3.48Å; Y102-N135 WeakPolarHBondContact O-CB 3.38Å; Y102-N135 PolarHBondContact O-N 3.25Å; Y102-V145 HydrophobicContact CE2-CB 4.03Å; Y102-V145 HydrophobicContact CE2-CG1 3.77Å; Y102-V145 HydrophobicContact CE2-CG2 4.25Å; Y102-F161 HydrophobicContact CE1-CE2 4.04Å
103	D	98	Very high	96.2	Very high	10 Å²	10	33 Å²	33	5%	0.053	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	123.9	176.2	173.9	0.7	0	0	0	109.3	V33 A105 N106 S109 K136	V33-D103 HydrophobicContact CB-CB 4.32Å; V33-D103 HydrophobicContact CG1-CB 4.26Å; D103-A105 PolarHBondContact O-N 3.04Å; D103-A105 VanDerWaalsContact O-N 3.16Å; D103-A105 WeakPolarHBondContact OD1-CB 3.35Å; D103-A105 PolarHBondContact OD1-N 3.24Å; D103-N106 HydrophobicContact CB-CB 3.97Å; D103-N106 PolarHBondContact O-N 2.76Å; D103-S109 PolarHBondContact N-OG 2.55Å; D103-S109 PolarHBondContact O-OG 2.96Å; D103-K136 WeakPolarHBondContact OD1-CD 3.28Å; D103-K136 VanDerWaalsContact OD2-CE 3.29Å; D103-K136 WeakPolarHBondContact OD2-CE 3.41Å; D103-K136 IonicContact OD2-NZ 3.68Å; D103-K136 PolarHBondContact OD2-NZ 2.86Å
104	I	98.6	Very high	96.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.9	-178.1	64.5	146.8	0	0	0	113.6	Y102 N135 K136 C137 R143 V144 V145	Y102-I104 HydrophobicContact CE2-CG2 4.03Å; I104-N135 PolarHBondContact N-O 3.1Å; I104-N135 VanDerWaalsContact N-O 3.1Å; I104-K136 WeakPolarHBondContact CD1-O 3.34Å; I104-K136 VanDerWaalsContact CG1-O 3.31Å; I104-K136 WeakPolarHBondContact CG1-O 3.46Å; I104-C137 HydrophobicContact CD1-CB 4.5Å; I104-R143 HydrophobicContact CD1-CB 4.27Å; I104-R143 HydrophobicContact CD1-CG 4.31Å; I104-R143 VanDerWaalsContact CD1-CZ 3.5Å; I104-V144 PolarHBondContact O-N 2.84Å; I104-V145 PolarHBondContact O-N 3.34Å
105	A	98.2	Very high	96.7	Very high	26 Å²	26	32.5 Å²	32.5	22%	0.215	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	7.1	175.9	0	0	0	0	0	112.5	D103 L139 E142 V144	D103-A105 PolarHBondContact O-N 3.04Å; D103-A105 VanDerWaalsContact O-N 3.16Å; D103-A105 WeakPolarHBondContact OD1-CB 3.35Å; D103-A105 PolarHBondContact OD1-N 3.24Å; A105-L139 HydrophobicContact CB-CD1 4.28Å; A105-E142 HydrophobicContact CB-CB 4.15Å; A105-E142 WeakPolarHBondContact CB-O 3.29Å; A105-V144 VanDerWaalsContact C-CG2 3.42Å
106	N	97.4	Very high	96.7	Very high	50 Å²	50	32.5 Å²	32.5	27%	0.267	18%	0.175	S	C	.	.			trans	-135.7	103.4	-178.6	-173.7	-36.4	0	0	0	112.9	D103 E108 S109 F110	D103-N106 HydrophobicContact CB-CB 3.97Å; D103-N106 PolarHBondContact O-N 2.76Å; N106-E108 VanDerWaalsContact C-N 3.34Å; N106-E108 PolarHBondContact O-N 3.2Å; N106-E108 WeakPolarHBondContact OD1-CA 3.29Å; N106-E108 WeakPolarHBondContact OD1-CB 3.41Å; N106-E108 PolarHBondContact OD1-N 3.44Å; N106-S109 PolarHBondContact O-N 2.79Å; N106-S109 PolarHBondContact O-OG 3.4Å; N106-S109 PolarHBondContact OD1-N 2.98Å; N106-F110 PolarHBondContact O-N 2.68Å
107	Q	97.4	Very high	96.6	Very high	94 Å²	94	30.3 Å²	30.3	44%	0.439	16%	0.164	S	C	.	.	H	α-helix	trans	-61.3	-35.9	179.3	-170.3	64.1	32.3	0	0	113.7	S109 F110 A111 V144	Q107-S109 VanDerWaalsContact C-N 3.33Å; Q107-F110 PolarHBondContact O-N 2.76Å; Q107-A111 PolarHBondContact O-N 2.88Å; Q107-V144 HydrophobicContact CB-CG2 4.14Å
108	E	96.5	Very high	96.4	Very high	147 Å²	147	34.4 Å²	34.4	69%	0.687	19%	0.189	S	C	*	.	H	α-helix	trans	-66.2	-38.8	178.9	-174.8	-175.7	179.1	0	0	110.9	N106 F110 A111 A112	N106-E108 VanDerWaalsContact C-N 3.34Å; N106-E108 PolarHBondContact O-N 3.2Å; N106-E108 WeakPolarHBondContact OD1-CA 3.29Å; N106-E108 WeakPolarHBondContact OD1-CB 3.41Å; N106-E108 PolarHBondContact OD1-N 3.44Å; E108-F110 VanDerWaalsContact C-N 3.29Å; E108-F110 PolarHBondContact O-N 3.19Å; E108-A111 PolarHBondContact O-N 2.98Å; E108-A112 WeakPolarHBondContact O-CB 3.23Å; E108-A112 PolarHBondContact O-N 2.77Å
109	S	96.8	Very high	96	Very high	2 Å²	2	36 Å²	36	1%	0.014	20%	0.196	C	C	.	.	H	α-helix	trans	-63.7	-35.9	175.8	82.2	0	0	0	0	112.4	D103 N106 Q107	D103-S109 PolarHBondContact N-OG 2.55Å; D103-S109 PolarHBondContact O-OG 2.96Å; N106-S109 PolarHBondContact O-N 2.79Å; N106-S109 PolarHBondContact O-OG 3.4Å; N106-S109 PolarHBondContact OD1-N 2.98Å; Q107-S109 VanDerWaalsContact C-N 3.33Å
110	F	98.2	Very high	95.8	Very high	24 Å²	24	36 Å²	36	11%	0.105	20%	0.197	C	C	.	.	H	α-helix	trans	-72	-44.2	175.2	178.9	-111	0	0	0	112.1	Y102 N106 Q107 E108 A112 V113 V145 D149 L153	Y102-F110 HydrophobicContact CD1-CD2 4.11Å; Y102-F110 HydrophobicContact CD2-CB 3.89Å; Y102-F110 AromaticContact CD2-CD2 3.9Å; Y102-F110 HydrophobicContact CD2-CD2 3.9Å; Y102-F110 HydrophobicContact CD2-CG 4.34Å; Y102-F110 AromaticContact CE1-CD2 4Å; Y102-F110 HydrophobicContact CE1-CD2 4Å; Y102-F110 HydrophobicContact CE1-CE2 4.36Å; Y102-F110 HydrophobicContact CE2-CB 4.37Å; Y102-F110 AromaticContact CE2-CD2 3.81Å; Y102-F110 HydrophobicContact CE2-CD2 3.81Å; Y102-F110 HydrophobicContact CE2-CG 4.42Å; Y102-F110 HydrophobicContact CG-CB 4.33Å; Y102-F110 HydrophobicContact CG-CD2 4.06Å; Y102-F110 AromaticContact CZ-CD2 3.86Å; N106-F110 PolarHBondContact O-N 2.68Å; Q107-F110 PolarHBondContact O-N 2.76Å; E108-F110 VanDerWaalsContact C-N 3.29Å; E108-F110 PolarHBondContact O-N 3.19Å; F110-A112 PolarHBondContact O-N 2.86Å; F110-V113 HydrophobicContact CD2-CG2 4.46Å; F110-V113 WeakPolarHBondContact O-CB 3.35Å; F110-V113 VanDerWaalsContact O-CG2 3.27Å; F110-V113 WeakPolarHBondContact O-CG2 3.41Å; F110-V113 PolarHBondContact O-N 3.37Å; F110-V145 HydrophobicContact CB-CG1 4.34Å; F110-V145 HydrophobicContact CB-CG2 3.75Å; F110-V145 HydrophobicContact CD1-CG1 3.98Å; F110-V145 HydrophobicContact CD1-CG2 4.41Å; F110-V145 HydrophobicContact CD2-CG1 3.86Å; F110-V145 HydrophobicContact CE1-CG1 4.21Å; F110-V145 HydrophobicContact CE2-CG1 4.11Å; F110-V145 HydrophobicContact CG-CG1 3.78Å; F110-V145 HydrophobicContact CG-CG2 4.08Å; F110-V145 HydrophobicContact CZ-CG1 4.28Å; F110-D149 HydrophobicContact CE1-CB 4.29Å; F110-D149 HydrophobicContact CZ-CB 4.07Å; F110-L153 HydrophobicContact CD2-CD2 4.2Å; F110-L153 HydrophobicContact CE1-CD2 4.45Å; F110-L153 HydrophobicContact CE2-CB 4.16Å; F110-L153 HydrophobicContact CE2-CD2 3.47Å; F110-L153 VanDerWaalsContact CE2-CD2 3.47Å; F110-L153 HydrophobicContact CE2-CG 4.46Å; F110-L153 HydrophobicContact CZ-CB 3.98Å; F110-L153 HydrophobicContact CZ-CD2 3.63Å; F110-L153 HydrophobicContact CZ-CG 4.44Å
111	A	96.7	Very high	95.5	Very high	65 Å²	65	42 Å²	42	54%	0.537	22%	0.223	S	C	.	.	H	α-helix	trans	-58.4	-36	176.1	0	0	0	0	0	112.3	Q107 E108 V113	Q107-A111 PolarHBondContact O-N 2.88Å; E108-A111 PolarHBondContact O-N 2.98Å; A111-V113 PolarHBondContact O-N 3.47Å
112	A	95	Very high	95.1	Very high	11 Å²	11	46.1 Å²	46.1	9%	0.091	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-12.6	178	0	0	0	0	0	114.4	N30 E108 F110 Q114 D115 W116	N30-A112 WeakPolarHBondContact OD1-CB 3.36Å; E108-A112 WeakPolarHBondContact O-CB 3.23Å; E108-A112 PolarHBondContact O-N 2.77Å; F110-A112 PolarHBondContact O-N 2.86Å; A112-Q114 VanDerWaalsContact C-N 3.26Å; A112-Q114 PolarHBondContact O-N 3.42Å; A112-D115 PolarHBondContact O-N 2.86Å; A112-W116 PolarHBondContact O-N 3.49Å; A112-W116 VanDerWaalsContact O-N 3.11Å
113	V	96.1	Very high	94.7	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-57.1	-39.7	-178.9	169	0	0	0	0	111.4	L100 Y102 F110 A111 D115 W116 A117 L132 L153 L157	L100-V113 HydrophobicContact CD2-CG1 3.76Å; L100-V113 HydrophobicContact CG-CG1 4.3Å; Y102-V113 HydrophobicContact CD1-CG2 4.14Å; Y102-V113 HydrophobicContact CG-CG2 4.3Å; F110-V113 HydrophobicContact CD2-CG2 4.46Å; F110-V113 WeakPolarHBondContact O-CB 3.35Å; F110-V113 VanDerWaalsContact O-CG2 3.27Å; F110-V113 WeakPolarHBondContact O-CG2 3.41Å; F110-V113 PolarHBondContact O-N 3.37Å; A111-V113 PolarHBondContact O-N 3.47Å; V113-D115 PolarHBondContact O-N 3.17Å; V113-W116 PolarHBondContact O-N 3.3Å; V113-A117 WeakPolarHBondContact O-CB 3.36Å; V113-A117 PolarHBondContact O-N 3.3Å; V113-L132 HydrophobicContact CG1-CD1 3.61Å; V113-L132 HydrophobicContact CG1-CD2 4.43Å; V113-L132 HydrophobicContact CG2-CD1 4.08Å; V113-L153 HydrophobicContact CB-CD2 3.9Å; V113-L153 HydrophobicContact CG1-CD2 3.66Å; V113-L153 HydrophobicContact CG1-CG 4.43Å; V113-L157 HydrophobicContact CG1-CD1 4.13Å
114	Q	94.9	Very high	94.2	Very high	114 Å²	114	52.9 Å²	52.9	53%	0.533	28%	0.278	S	S	.	.	H	α-helix	trans	-64.4	-40.6	179.7	-67.2	-175.3	17	0	0	112.4	A112 A117 T118 L153	A112-Q114 VanDerWaalsContact C-N 3.26Å; A112-Q114 PolarHBondContact O-N 3.42Å; Q114-A117 PolarHBondContact O-N 3.45Å; Q114-T118 WeakPolarHBondContact O-CB 3.25Å; Q114-T118 PolarHBondContact O-N 3.45Å; Q114-T118 PolarHBondContact O-OG1 3.12Å; Q114-L153 HydrophobicContact CG-CD1 3.94Å
115	D	92.8	Very high	93.3	Very high	89 Å²	89	60.8 Å²	60.8	48%	0.476	31%	0.307	S	S	.	.	H	α-helix	trans	-63.5	-44.5	175.9	-73.1	-9.2	0	0	0	110.9	A112 V113 T118 Q119	A112-D115 PolarHBondContact O-N 2.86Å; V113-D115 PolarHBondContact O-N 3.17Å; D115-T118 PolarHBondContact O-N 2.85Å; D115-Q119 WeakPolarHBondContact O-CG 3.2Å; D115-Q119 PolarHBondContact O-N 3.24Å
116	W	93.1	Very high	92.5	Very high	1 Å²	1	67.5 Å²	67.5	0%	0.004	34%	0.34	C	S	.	.	H	α-helix	trans	-63.8	-43.6	176.8	-71.7	118	0	0	0	112	I28 N30 R85 L100 A112 V113 T118 Q119 I120	I28-W116 HydrophobicContact CG2-CB 4.17Å; I28-W116 HydrophobicContact CG2-CD2 3.74Å; I28-W116 HydrophobicContact CG2-CE3 3.41Å; I28-W116 VanDerWaalsContact CG2-CE3 3.41Å; I28-W116 HydrophobicContact CG2-CG 4.09Å; I28-W116 HydrophobicContact CG2-CZ3 4.01Å; N30-W116 PolarHBondContact OD1-NE1 2.78Å; R85-W116 HydrophobicContact CG-CH2 3.74Å; R85-W116 HydrophobicContact CG-CZ3 4.17Å; L100-W116 HydrophobicContact CD1-CB 3.48Å; L100-W116 VanDerWaalsContact CD1-CB 3.48Å; L100-W116 HydrophobicContact CD1-CG 3.98Å; L100-W116 HydrophobicContact CD2-CB 4.21Å; A112-W116 PolarHBondContact O-N 3.49Å; A112-W116 VanDerWaalsContact O-N 3.11Å; V113-W116 PolarHBondContact O-N 3.3Å; W116-T118 VanDerWaalsContact C-N 3.3Å; W116-T118 PolarHBondContact O-N 2.96Å; W116-Q119 PolarHBondContact O-N 2.54Å; W116-I120 WeakPolarHBondContact O-CG1 3.21Å; W116-I120 PolarHBondContact O-N 2.88Å
117	A	93.6	Very high	91.9	Very high	1 Å²	1	69 Å²	69	1%	0.008	35%	0.347	C	S	.	.	H	α-helix	trans	-60.2	-41	176.3	0	0	0	0	0	111.5	L100 V113 Q114 I120 K121 L157 F159	L100-A117 HydrophobicContact CD2-CB 4.21Å; V113-A117 WeakPolarHBondContact O-CB 3.36Å; V113-A117 PolarHBondContact O-N 3.3Å; Q114-A117 PolarHBondContact O-N 3.45Å; A117-I120 PolarHBondContact O-N 3.36Å; A117-K121 WeakPolarHBondContact O-CG 3.49Å; A117-K121 PolarHBondContact O-N 3.36Å; A117-L157 HydrophobicContact CB-CD1 3.96Å; A117-L157 HydrophobicContact CB-CD2 4.12Å; A117-F159 HydrophobicContact CB-CE2 3.81Å; A117-F159 HydrophobicContact CB-CZ 4Å
118	T	92.2	Very high	91.7	Very high	86 Å²	86	65.2 Å²	65.2	53%	0.528	33%	0.333	S	S	.	.	H	α-helix	trans	-62.4	-43.2	175.5	-58.8	0	0	0	0	111.4	Q114 D115 W116 K121 T122	Q114-T118 WeakPolarHBondContact O-CB 3.25Å; Q114-T118 PolarHBondContact O-N 3.45Å; Q114-T118 PolarHBondContact O-OG1 3.12Å; D115-T118 PolarHBondContact O-N 2.85Å; W116-T118 VanDerWaalsContact C-N 3.3Å; W116-T118 PolarHBondContact O-N 2.96Å; T118-K121 PolarHBondContact O-N 3.29Å; T118-T122 WeakPolarHBondContact O-CB 3.27Å; T118-T122 PolarHBondContact O-N 2.88Å; T118-T122 PolarHBondContact O-OG1 2.99Å
119	Q	90	Very high	91.7	Very high	32 Å²	32	60.1 Å²	60.1	15%	0.15	31%	0.309	C	S	.	.	H	α-helix	trans	-63.7	-42.4	176.1	-70.3	176.2	31.7	0	0	112	Y92 D115 W116 T122 Y123	Y92-Q119 HydrophobicContact CE2-CB 4Å; D115-Q119 WeakPolarHBondContact O-CG 3.2Å; D115-Q119 PolarHBondContact O-N 3.24Å; W116-Q119 PolarHBondContact O-N 2.54Å; Q119-T122 PolarHBondContact O-N 2.86Å; Q119-Y123 HydrophobicContact CB-CD2 4.41Å; Q119-Y123 WeakPolarHBondContact O-CD2 3.27Å; Q119-Y123 PolarHBondContact O-N 3.41Å
120	I	92.2	Very high	91.7	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-58.7	-55.3	176.7	-67.3	165.9	0	0	0	108.8	Y92 F98 L100 W116 A117 T122 Y123 S124 V130	Y92-I120 HydrophobicContact CD2-CG1 4.43Å; Y92-I120 HydrophobicContact CE2-CB 4.4Å; Y92-I120 HydrophobicContact CE2-CG1 3.81Å; F98-I120 HydrophobicContact CB-CD1 4.14Å; F98-I120 HydrophobicContact CD1-CD1 4.04Å; F98-I120 HydrophobicContact CD1-CG1 3.98Å; F98-I120 HydrophobicContact CD1-CG2 4.37Å; F98-I120 HydrophobicContact CD2-CG2 3.81Å; F98-I120 HydrophobicContact CE1-CG1 4.14Å; F98-I120 HydrophobicContact CE1-CG2 4.38Å; F98-I120 HydrophobicContact CE2-CG2 3.85Å; F98-I120 HydrophobicContact CG-CD1 4.14Å; F98-I120 HydrophobicContact CG-CG1 4.34Å; F98-I120 HydrophobicContact CG-CG2 4.08Å; F98-I120 HydrophobicContact CZ-CG2 4.12Å; L100-I120 HydrophobicContact CD2-CD1 4.42Å; W116-I120 WeakPolarHBondContact O-CG1 3.21Å; W116-I120 PolarHBondContact O-N 2.88Å; A117-I120 PolarHBondContact O-N 3.36Å; I120-T122 PolarHBondContact O-N 3.33Å; I120-T122 VanDerWaalsContact O-N 3.1Å; I120-Y123 PolarHBondContact O-N 2.85Å; I120-S124 WeakPolarHBondContact O-CB 3.35Å; I120-S124 PolarHBondContact O-N 3.08Å; I120-S124 PolarHBondContact O-OG 3.49Å; I120-V130 HydrophobicContact CD1-CG1 4.41Å; I120-V130 HydrophobicContact CG2-CG2 3.89Å
121	K	91	Very high	91.7	Very high	126 Å²	126	59.9 Å²	59.9	55%	0.548	31%	0.309	S	S	.	.	H	α-helix	trans	-56.3	-30.4	179.2	-71.2	178.8	179.7	-178.2	0	113.5	A117 T118 L157	A117-K121 WeakPolarHBondContact O-CG 3.49Å; A117-K121 PolarHBondContact O-N 3.36Å; T118-K121 PolarHBondContact O-N 3.29Å; K121-L157 PolarHBondContact NZ-O 3.3Å; K121-L157 VanDerWaalsContact NZ-O 3.17Å
122	T	91	Very high	91.8	Very high	87 Å²	87	56.8 Å²	56.8	53%	0.534	28%	0.284	S	S	.	.	H	α-helix	trans	-81.2	-35.7	-178.4	-57.5	0	0	0	0	113.3	T118 Q119 I120	T118-T122 WeakPolarHBondContact O-CB 3.27Å; T118-T122 PolarHBondContact O-N 2.88Å; T118-T122 PolarHBondContact O-OG1 2.99Å; Q119-T122 PolarHBondContact O-N 2.86Å; I120-T122 PolarHBondContact O-N 3.33Å; I120-T122 VanDerWaalsContact O-N 3.1Å
123	Y	89.6	Confident	92	Very high	128 Å²	128	56.2 Å²	56.2	50%	0.502	28%	0.279	S	S	.	.	H	α-helix	trans	-117.6	-7.8	-168.7	-57.3	-68.1	0	0	0	114.9	T89 Q119 I120	T89-Y123 HydrophobicContact CG2-CD2 3.6Å; T89-Y123 HydrophobicContact CG2-CE2 3.72Å; T89-Y123 HydrophobicContact CG2-CG 4.37Å; Q119-Y123 HydrophobicContact CB-CD2 4.41Å; Q119-Y123 WeakPolarHBondContact O-CD2 3.27Å; Q119-Y123 PolarHBondContact O-N 3.41Å; I120-Y123 PolarHBondContact O-N 2.85Å
124	S	87.8	Confident	92.1	Very high	25 Å²	25	56.2 Å²	56.2	18%	0.175	28%	0.279	C	S	.	.	S	Bend	trans	-84.9	176.9	175.7	74.2	0	0	0	0	112.5	I120	I120-S124 WeakPolarHBondContact O-CB 3.35Å; I120-S124 PolarHBondContact O-N 3.08Å; I120-S124 PolarHBondContact O-OG 3.49Å
125	W	79.5	Confident	92.3	Very high	165 Å²	165	50.9 Å²	50.9	63%	0.625	25%	0.254	S	S	*	.			trans	-75	151.7	164.7	-96.7	13.6	0	0	0	111	N127 A128	W125-N127 PolarHBondContact O-N 3.07Å; W125-N127 VanDerWaalsContact O-N 3.12Å; W125-A128 VanDerWaalsContact O-CB 3.27Å; W125-A128 WeakPolarHBondContact O-CB 3.4Å; W125-A128 PolarHBondContact O-N 3.2Å
126	D	81.3	Confident	92.5	Very high	168 Å²	168	49 Å²	49	90%	0.898	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.6	-179.8	-65	-22.4	0	0	0	112.9
127	N	83.9	Confident	92.8	Very high	80 Å²	80	49.9 Å²	49.9	43%	0.428	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	11.9	-179.5	-70.4	-23.4	0	0	0	113.9	W125 Q129 K186	W125-N127 PolarHBondContact O-N 3.07Å; W125-N127 VanDerWaalsContact O-N 3.12Å; N127-Q129 PolarHBondContact O-N 3.28Å; N127-Q129 PolarHBondContact O-NE2 3.36Å; N127-K186 HydrophobicContact CB-CG 4.29Å
128	A	93.1	Very high	93	Very high	16 Å²	16	51.9 Å²	51.9	13%	0.132	26%	0.259	C	S	.	.			trans	-68.6	132	177.4	0	0	0	0	0	111.3	F98 W125	F98-A128 HydrophobicContact CD2-CB 4.05Å; F98-A128 HydrophobicContact CE2-CB 3.7Å; W125-A128 VanDerWaalsContact O-CB 3.27Å; W125-A128 WeakPolarHBondContact O-CB 3.4Å; W125-A128 PolarHBondContact O-N 3.2Å
129	Q	96.3	Very high	93.2	Very high	39 Å²	39	49.8 Å²	49.8	18%	0.182	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	141.2	-179.8	-56.4	-52.9	-53	0	0	110.4	M96 G97 F98 N127 L179 V182 I183	M96-Q129 PolarHBondContact O-N 2.84Å; G97-Q129 CarbonylContact C-O 3.49Å; G97-Q129 VanDerWaalsContact CA-O 3.24Å; G97-Q129 WeakPolarHBondContact CA-O 3.07Å; F98-Q129 PolarHBondContact N-O 2.8Å; N127-Q129 PolarHBondContact O-N 3.28Å; N127-Q129 PolarHBondContact O-NE2 3.36Å; Q129-L179 HydrophobicContact CB-CD1 4.04Å; Q129-V182 HydrophobicContact CB-CG1 4.06Å; Q129-V182 HydrophobicContact CG-CG1 3.77Å; Q129-V182 VanDerWaalsContact OE1-CG1 3.24Å; Q129-I183 HydrophobicContact CB-CG1 4.02Å; Q129-I183 HydrophobicContact CG-CG1 3.86Å
130	V	97.1	Very high	93.5	Very high	18 Å²	18	53.3 Å²	53.3	11%	0.109	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.1	-178.3	-170.7	0	0	0	0	109.6	F98 L100 I120 F159	F98-V130 HydrophobicContact CB-CG1 4.2Å; F98-V130 HydrophobicContact CB-CG2 4.18Å; F98-V130 HydrophobicContact CD2-CG2 4.34Å; F98-V130 WeakPolarHBondContact O-CA 3.15Å; L100-V130 HydrophobicContact CB-CG1 4.11Å; I120-V130 HydrophobicContact CD1-CG1 4.41Å; I120-V130 HydrophobicContact CG2-CG2 3.89Å; V130-F159 HydrophobicContact CB-CD1 3.69Å; V130-F159 HydrophobicContact CB-CD2 4.28Å; V130-F159 HydrophobicContact CB-CE1 3.69Å; V130-F159 HydrophobicContact CB-CE2 4.26Å; V130-F159 HydrophobicContact CB-CG 4.01Å; V130-F159 HydrophobicContact CB-CZ 3.98Å; V130-F159 HydrophobicContact CG1-CD1 4.14Å; V130-F159 HydrophobicContact CG1-CD2 3.8Å; V130-F159 HydrophobicContact CG1-CE1 4.09Å; V130-F159 HydrophobicContact CG1-CE2 3.72Å; V130-F159 HydrophobicContact CG1-CG 4.01Å; V130-F159 HydrophobicContact CG1-CZ 3.88Å; V130-F159 HydrophobicContact CG2-CD1 4.39Å; V130-F159 HydrophobicContact CG2-CE1 3.93Å; V130-F159 HydrophobicContact CG2-CZ 4.15Å
131	I	98.5	Very high	93.7	Very high	3 Å²	3	61.5 Å²	61.5	2%	0.015	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.6	168.4	-60.1	-172.4	0	0	0	108.3	F98 L99 L100 V133 E160 F162 V175 R178 L179	F98-I131 PolarHBondContact O-N 2.91Å; L99-I131 HydrophobicContact CD2-CB 3.84Å; L99-I131 HydrophobicContact CD2-CG2 4.41Å; L100-I131 PolarHBondContact N-O 2.98Å; I131-V133 HydrophobicContact CG2-CG2 4.11Å; I131-E160 HydrophobicContact CG1-CB 4.25Å; I131-E160 HydrophobicContact CG2-CB 4.48Å; I131-F162 HydrophobicContact CD1-CE2 4.44Å; I131-F162 HydrophobicContact CG2-CD2 3.65Å; I131-F162 HydrophobicContact CG2-CE2 4.19Å; I131-V175 HydrophobicContact CG2-CG1 4.45Å; I131-R178 HydrophobicContact CD1-CB 4.17Å; I131-R178 HydrophobicContact CD1-CG 4.01Å; I131-L179 HydrophobicContact CD1-CB 3.79Å; I131-L179 HydrophobicContact CD1-CD1 4.32Å; I131-L179 HydrophobicContact CG1-CB 4.5Å; I131-L179 HydrophobicContact CG1-CD1 4.16Å
132	L	98.6	Very high	94.1	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	129.6	170.8	-176.4	64.6	0	0	0	109.6	L100 Y102 V113 A154 F159 E160 F161 F162	L100-L132 HydrophobicContact CB-CD1 4.36Å; L100-L132 HydrophobicContact CD2-CD1 4.34Å; L100-L132 HydrophobicContact CG-CD1 4Å; L100-L132 CarbonylContact O-C 3.52Å; L100-L132 WeakPolarHBondContact O-CA 3.21Å; L100-L132 WeakPolarHBondContact O-CD1 3.29Å; Y102-L132 HydrophobicContact CD1-CD1 3.96Å; Y102-L132 HydrophobicContact CD1-CG 4.36Å; Y102-L132 HydrophobicContact CE1-CD1 4.27Å; Y102-L132 HydrophobicContact CE1-CD2 4.32Å; Y102-L132 HydrophobicContact CE1-CG 4.17Å; V113-L132 HydrophobicContact CG1-CD1 3.61Å; V113-L132 HydrophobicContact CG1-CD2 4.43Å; V113-L132 HydrophobicContact CG2-CD1 4.08Å; L132-A154 HydrophobicContact CB-CB 4.21Å; L132-A154 HydrophobicContact CD2-CB 3.88Å; L132-F159 HydrophobicContact CB-CB 4.49Å; L132-E160 PolarHBondContact N-O 2.71Å; L132-F161 HydrophobicContact CB-CD2 4.21Å; L132-F161 HydrophobicContact CD2-CD2 4.02Å; L132-F161 HydrophobicContact CD2-CE2 4.42Å; L132-F161 HydrophobicContact CG-CD2 4.02Å; L132-F161 HydrophobicContact CG-CE2 4.45Å; L132-F161 WeakPolarHBondContact O-CA 3.44Å; L132-F162 PolarHBondContact O-N 3.42Å
133	V	98.8	Very high	94.4	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	113.5	-178.1	-172.1	0	0	0	0	110.3	F38 L99 L100 M101 Y102 I131 N135 F162 A164 V175	F38-V133 HydrophobicContact CE2-CG1 4.42Å; F38-V133 HydrophobicContact CZ-CG1 4.42Å; L99-V133 HydrophobicContact CD2-CG2 4.37Å; L100-V133 PolarHBondContact O-N 3.05Å; M101-V133 WeakPolarHBondContact CA-O 3.26Å; M101-V133 HydrophobicContact CE-CG1 4.33Å; M101-V133 HydrophobicContact CG-CB 4.17Å; Y102-V133 PolarHBondContact N-O 2.89Å; I131-V133 HydrophobicContact CG2-CG2 4.11Å; V133-N135 PolarHBondContact O-N 2.91Å; V133-F162 CarbonylContact C-O 3.42Å; V133-F162 VanDerWaalsContact CA-O 3.29Å; V133-F162 WeakPolarHBondContact CA-O 3.34Å; V133-A164 HydrophobicContact CG1-CB 3.87Å; V133-V175 HydrophobicContact CG2-CG1 3.77Å; V133-V175 HydrophobicContact CG2-CG2 4.45Å
134	G	98.7	Very high	94.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	96.2	164.4	0	0	0	0	0	109.5	Y102 F162 E163 A164	Y102-G134 VanDerWaalsContact CE1-CA 3.44Å; Y102-G134 VanDerWaalsContact CZ-CA 3.48Å; G134-F162 PolarHBondContact N-O 3Å; G134-E163 CarbonylContact O-C 3.59Å; G134-E163 VanDerWaalsContact O-CA 3.26Å; G134-E163 WeakPolarHBondContact O-CA 3.38Å; G134-A164 PolarHBondContact O-N 3.47Å
135	N	98.6	Very high	95.3	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.011	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	164.5	-177.3	-168.1	34	0	0	0	111.7	V33 M101 Y102 I104 V133 A164 A166	V33-N135 PolarHBondContact O-ND2 2.84Å; M101-N135 HydrophobicContact CE-CB 3.69Å; Y102-N135 WeakPolarHBondContact O-CB 3.38Å; Y102-N135 PolarHBondContact O-N 3.25Å; I104-N135 PolarHBondContact N-O 3.1Å; I104-N135 VanDerWaalsContact N-O 3.1Å; V133-N135 PolarHBondContact O-N 2.91Å; N135-A164 CarbonylContact C-O 3.59Å; N135-A164 VanDerWaalsContact CA-O 3.28Å; N135-A164 WeakPolarHBondContact CA-O 3.22Å; N135-A164 PolarHBondContact OD1-O 3.38Å; N135-A166 PolarHBondContact OD1-N 3.01Å
136	K	98	Very high	96.2	Very high	49 Å²	49	51.2 Å²	51.2	21%	0.213	27%	0.268	C	S	.	.			trans	67.7	36.5	-177.5	-45.1	-170.4	-165.2	166.9	0	113.6	S32 D103 I104 D138 L139 A164	S32-K136 VanDerWaalsContact O-CE 3.28Å; S32-K136 WeakPolarHBondContact O-CE 3.29Å; S32-K136 PolarHBondContact O-NZ 3.32Å; D103-K136 WeakPolarHBondContact OD1-CD 3.28Å; D103-K136 VanDerWaalsContact OD2-CE 3.29Å; D103-K136 WeakPolarHBondContact OD2-CE 3.41Å; D103-K136 IonicContact OD2-NZ 3.68Å; D103-K136 PolarHBondContact OD2-NZ 2.86Å; I104-K136 WeakPolarHBondContact CD1-O 3.34Å; I104-K136 VanDerWaalsContact CG1-O 3.31Å; I104-K136 WeakPolarHBondContact CG1-O 3.46Å; K136-D138 WeakPolarHBondContact CA-OD1 3.4Å; K136-D138 PolarHBondContact O-N 2.81Å; K136-L139 HydrophobicContact CB-CD1 3.93Å; K136-L139 HydrophobicContact CB-CG 4.16Å; K136-L139 HydrophobicContact CD-CD1 3.87Å; K136-L139 WeakPolarHBondContact O-CB 3.31Å; K136-L139 PolarHBondContact O-N 2.81Å; K136-A164 PolarHBondContact N-O 2.91Å
137	C	98.1	Very high	97	Very high	21 Å²	21	44.9 Å²	44.9	14%	0.142	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-6.5	175.2	69.8	0	0	0	0	114.6	I104 L139 E163 A164	I104-C137 HydrophobicContact CD1-CB 4.5Å; C137-L139 VanDerWaalsContact C-N 3.27Å; C137-E163 HydrophobicContact CB-CB 4.11Å; C137-A164 PolarHBondContact N-O 3.12Å; C137-A164 PolarHBondContact SG-O 3Å; C137-A164 VanDerWaalsContact SG-O 3.36Å
138	D	97.9	Very high	97.7	Very high	43 Å²	43	48.7 Å²	48.7	23%	0.23	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-16.6	167.5	59.2	-77	0	0	0	114	K136 E140 S165 K167 E168	K136-D138 WeakPolarHBondContact CA-OD1 3.4Å; K136-D138 PolarHBondContact O-N 2.81Å; D138-E140 VanDerWaalsContact C-N 3.29Å; D138-E140 PolarHBondContact O-N 2.67Å; D138-S165 VanDerWaalsContact CG-OG 3.29Å; D138-S165 VanDerWaalsContact OD1-CB 3.3Å; D138-S165 WeakPolarHBondContact OD1-CB 3.36Å; D138-S165 PolarHBondContact OD1-OG 3.43Å; D138-K167 WeakPolarHBondContact OD2-CD 3.32Å; D138-K167 IonicContact OD2-NZ 3.94Å; D138-E168 HydrophobicContact CB-CG 3.61Å
139	L	96.9	Very high	97.9	Very high	41 Å²	41	51.1 Å²	51.1	22%	0.215	27%	0.266	C	S	.	.			trans	-92.1	46.4	179.2	-58.7	-178.5	0	0	0	112.1	A105 K136 C137 D141 E142 R143	A105-L139 HydrophobicContact CB-CD1 4.28Å; K136-L139 HydrophobicContact CB-CD1 3.93Å; K136-L139 HydrophobicContact CB-CG 4.16Å; K136-L139 HydrophobicContact CD-CD1 3.87Å; K136-L139 WeakPolarHBondContact O-CB 3.31Å; K136-L139 PolarHBondContact O-N 2.81Å; C137-L139 VanDerWaalsContact C-N 3.27Å; L139-D141 VanDerWaalsContact C-N 3.26Å; L139-D141 PolarHBondContact O-N 3.17Å; L139-E142 HydrophobicContact CB-CB 4.35Å; L139-E142 CarbonylContact O-C 3.53Å; L139-E142 PolarHBondContact O-N 3.07Å; L139-R143 PolarHBondContact O-N 2.85Å; L139-R143 VanDerWaalsContact O-N 3.14Å
140	E	96.4	Very high	98	Very high	106 Å²	106	49.2 Å²	49.2	50%	0.495	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-60.4	-35.8	-175.1	-167.6	60	-149.9	0	0	112.5	D138 E142 R143	D138-E140 VanDerWaalsContact C-N 3.29Å; D138-E140 PolarHBondContact O-N 2.67Å; E140-E142 PolarHBondContact O-N 2.85Å; E140-R143 VanDerWaalsContact CD-NE 3.26Å; E140-R143 VanDerWaalsContact O-CB 3.32Å; E140-R143 WeakPolarHBondContact O-CB 3.47Å; E140-R143 PolarHBondContact O-N 2.83Å; E140-R143 IonicContact OE1-CZ 3.51Å; E140-R143 IonicContact OE1-NE 2.71Å; E140-R143 PolarHBondContact OE1-NE 2.99Å; E140-R143 IonicContact OE1-NH2 3.47Å; E140-R143 IonicContact OE2-CZ 3.92Å; E140-R143 VanDerWaalsContact OE2-CZ 3.27Å; E140-R143 IonicContact OE2-NE 2.98Å; E140-R143 PolarHBondContact OE2-NE 2.78Å; E140-R143 IonicContact OE2-NH2 4Å; E140-R143 PolarHBondContact OE2-NH2 2.9Å
141	D	97.5	Very high	98.1	Very high	175 Å²	175	55.7 Å²	55.7	94%	0.936	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-67.8	-20.9	177	-65	-37	0	0	0	113.4	L139	L139-D141 VanDerWaalsContact C-N 3.26Å; L139-D141 PolarHBondContact O-N 3.17Å
142	E	97.7	Very high	98.1	Very high	127 Å²	127	63.3 Å²	63.3	59%	0.593	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-106.5	6.3	179.1	-60.8	179	-140.1	0	0	112.1	A105 L139 E140 V144	A105-E142 HydrophobicContact CB-CB 4.15Å; A105-E142 WeakPolarHBondContact CB-O 3.29Å; L139-E142 HydrophobicContact CB-CB 4.35Å; L139-E142 CarbonylContact O-C 3.53Å; L139-E142 PolarHBondContact O-N 3.07Å; E140-E142 PolarHBondContact O-N 2.85Å; E142-V144 PolarHBondContact O-N 2.94Å
143	R	98.5	Very high	98.1	Very high	53 Å²	53	64 Å²	64	20%	0.2	31%	0.311	C	S	.	.			trans	-60.2	125.8	-177	179.4	-177.5	-70.8	-86.9	6.7	110.7	I104 L139 E140 V145 E163	I104-R143 HydrophobicContact CD1-CB 4.27Å; I104-R143 HydrophobicContact CD1-CG 4.31Å; I104-R143 VanDerWaalsContact CD1-CZ 3.5Å; L139-R143 PolarHBondContact O-N 2.85Å; L139-R143 VanDerWaalsContact O-N 3.14Å; E140-R143 VanDerWaalsContact CD-NE 3.26Å; E140-R143 VanDerWaalsContact O-CB 3.32Å; E140-R143 WeakPolarHBondContact O-CB 3.47Å; E140-R143 PolarHBondContact O-N 2.83Å; E140-R143 IonicContact OE1-CZ 3.51Å; E140-R143 IonicContact OE1-NE 2.71Å; E140-R143 PolarHBondContact OE1-NE 2.99Å; E140-R143 IonicContact OE1-NH2 3.47Å; E140-R143 IonicContact OE2-CZ 3.92Å; E140-R143 VanDerWaalsContact OE2-CZ 3.27Å; E140-R143 IonicContact OE2-NE 2.98Å; E140-R143 PolarHBondContact OE2-NE 2.78Å; E140-R143 IonicContact OE2-NH2 4Å; E140-R143 PolarHBondContact OE2-NH2 2.9Å; R143-V145 WeakPolarHBondContact CD-O 3.47Å; R143-V145 VanDerWaalsContact CG-O 3.27Å; R143-V145 WeakPolarHBondContact CG-O 3.28Å; R143-V145 PolarHBondContact NH1-O 3.01Å; R143-E163 IonicContact CZ-OE1 2.91Å; R143-E163 IonicContact CZ-OE2 3.27Å; R143-E163 IonicContact NH1-OE1 2.97Å; R143-E163 PolarHBondContact NH1-OE1 2.86Å; R143-E163 IonicContact NH1-OE2 2.9Å; R143-E163 IonicContact NH2-OE1 2.88Å; R143-E163 PolarHBondContact NH2-OE1 3.32Å; R143-E163 IonicContact NH2-OE2 2.78Å; R143-E163 PolarHBondContact NH2-OE2 2.86Å
144	V	98.3	Very high	98	Very high	74 Å²	74	64 Å²	64	45%	0.448	31%	0.311	S	S	.	.			trans	-114.7	-18.6	171.7	-56	0	0	0	0	112.6	I104 A105 Q107 E142	I104-V144 PolarHBondContact O-N 2.84Å; A105-V144 VanDerWaalsContact C-CG2 3.42Å; Q107-V144 HydrophobicContact CB-CG2 4.14Å; E142-V144 PolarHBondContact O-N 2.94Å
145	V	98.3	Very high	98	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	34%	0.34	C	S	.	.	S	Bend	trans	-106.5	110.5	175.8	-172.9	0	0	0	0	109.4	Y102 I104 F110 R143 D149	Y102-V145 HydrophobicContact CE2-CB 4.03Å; Y102-V145 HydrophobicContact CE2-CG1 3.77Å; Y102-V145 HydrophobicContact CE2-CG2 4.25Å; I104-V145 PolarHBondContact O-N 3.34Å; F110-V145 HydrophobicContact CB-CG1 4.34Å; F110-V145 HydrophobicContact CB-CG2 3.75Å; F110-V145 HydrophobicContact CD1-CG1 3.98Å; F110-V145 HydrophobicContact CD1-CG2 4.41Å; F110-V145 HydrophobicContact CD2-CG1 3.86Å; F110-V145 HydrophobicContact CE1-CG1 4.21Å; F110-V145 HydrophobicContact CE2-CG1 4.11Å; F110-V145 HydrophobicContact CG-CG1 3.78Å; F110-V145 HydrophobicContact CG-CG2 4.08Å; F110-V145 HydrophobicContact CZ-CG1 4.28Å; R143-V145 WeakPolarHBondContact CD-O 3.47Å; R143-V145 VanDerWaalsContact CG-O 3.27Å; R143-V145 WeakPolarHBondContact CG-O 3.28Å; R143-V145 PolarHBondContact NH1-O 3.01Å; V145-D149 HydrophobicContact CG1-CB 4.46Å
146	P	98.1	Very high	98	Very high	60 Å²	60	75 Å²	75	39%	0.39	37%	0.37	S	S	.	.			trans	-58.3	141.7	171.6	-23.6	33.9	0	0	0	111.9	E148 D149 G150	P146-E148 PolarHBondContact O-N 3.1Å; P146-D149 WeakPolarHBondContact CD-OD2 3.48Å; P146-D149 PolarHBondContact O-N 2.87Å; P146-G150 PolarHBondContact O-N 2.89Å
147	A	98	Very high	97.8	Very high	36 Å²	36	74.2 Å²	74.2	30%	0.298	37%	0.368	S	S	.	.	H	α-helix	trans	-58.8	-29.8	176.9	0	0	0	0	0	112.7	G150 R151 E163	A147-G150 PolarHBondContact O-N 3.44Å; A147-R151 PolarHBondContact O-N 2.97Å; A147-E163 WeakPolarHBondContact CA-OE1 3.18Å; A147-E163 VanDerWaalsContact CB-OE1 3.3Å; A147-E163 WeakPolarHBondContact CB-OE1 3.21Å
148	E	98.2	Very high	97.7	Very high	159 Å²	159	76.4 Å²	76.4	74%	0.743	39%	0.394	S	S	*	.	H	α-helix	trans	-65.1	-38.9	176.3	-63.6	-176.5	175.4	0	0	112.3	P146 R151 R152	P146-E148 PolarHBondContact O-N 3.1Å; E148-R151 PolarHBondContact O-N 3.06Å; E148-R152 VanDerWaalsContact O-CB 3.25Å; E148-R152 WeakPolarHBondContact O-CB 3.44Å; E148-R152 PolarHBondContact O-N 3.03Å
149	D	98.3	Very high	97.7	Very high	67 Å²	67	75.4 Å²	75.4	36%	0.358	39%	0.388	S	S	.	.	H	α-helix	trans	-67.9	-40.3	176.6	-73.3	-18.1	0	0	0	110.9	F110 V145 P146 R152 L153	F110-D149 HydrophobicContact CE1-CB 4.29Å; F110-D149 HydrophobicContact CZ-CB 4.07Å; V145-D149 HydrophobicContact CG1-CB 4.46Å; P146-D149 WeakPolarHBondContact CD-OD2 3.48Å; P146-D149 PolarHBondContact O-N 2.87Å; D149-R152 PolarHBondContact O-N 3.4Å; D149-L153 WeakPolarHBondContact O-CB 3.48Å; D149-L153 PolarHBondContact O-N 3.06Å
150	G	98.2	Very high	97.7	Very high	0 Å²	0	76.5 Å²	76.5	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-58.3	-48.8	173.2	0	0	0	0	0	112.4	P146 A147 L153 A154	P146-G150 PolarHBondContact O-N 2.89Å; A147-G150 PolarHBondContact O-N 3.44Å; G150-L153 PolarHBondContact O-N 3.18Å; G150-A154 PolarHBondContact O-N 3.44Å
151	R	98.4	Very high	97.8	Very high	154 Å²	154	73 Å²	73	58%	0.581	38%	0.375	S	S	*	.	H	α-helix	trans	-63.2	-48.3	177.1	-173.4	176.5	-58.5	-138.5	-2.7	112.2	A147 E148 L153 A154 D155 F161	A147-R151 PolarHBondContact O-N 2.97Å; E148-R151 PolarHBondContact O-N 3.06Å; R151-L153 VanDerWaalsContact C-N 3.31Å; R151-L153 PolarHBondContact O-N 3.27Å; R151-A154 WeakPolarHBondContact O-CB 3.37Å; R151-A154 PolarHBondContact O-N 2.95Å; R151-A154 VanDerWaalsContact O-N 3.12Å; R151-D155 PolarHBondContact O-N 3.15Å; R151-F161 HydrophobicContact CB-CD1 3.82Å; R151-F161 HydrophobicContact CB-CE1 4.2Å; R151-F161 HydrophobicContact CB-CG 4.46Å; R151-F161 HydrophobicContact CG-CD1 4.4Å
152	R	98.5	Very high	97.9	Very high	163 Å²	163	66.9 Å²	66.9	62%	0.615	34%	0.34	S	S	*	.	H	α-helix	trans	-57.3	-45.4	178.6	179.2	-177.9	171.9	-178.7	0.2	111.5	E148 D149 A154 D155 D156	E148-R152 VanDerWaalsContact O-CB 3.25Å; E148-R152 WeakPolarHBondContact O-CB 3.44Å; E148-R152 PolarHBondContact O-N 3.03Å; D149-R152 PolarHBondContact O-N 3.4Å; R152-A154 VanDerWaalsContact C-N 3.33Å; R152-A154 PolarHBondContact O-N 3.06Å; R152-D155 PolarHBondContact O-N 3.2Å; R152-D156 WeakPolarHBondContact O-CB 3.48Å; R152-D156 VanDerWaalsContact O-CG 3.3Å; R152-D156 PolarHBondContact O-N 3.29Å
153	L	98.2	Very high	97.9	Very high	14 Å²	14	62.6 Å²	62.6	7%	0.073	32%	0.32	C	S	.	.	H	α-helix	trans	-64.5	-38.8	177.7	-178.8	60.8	0	0	0	112	F110 V113 Q114 D149 G150 R151 D156 L157	F110-L153 HydrophobicContact CD2-CD2 4.2Å; F110-L153 HydrophobicContact CE1-CD2 4.45Å; F110-L153 HydrophobicContact CE2-CB 4.16Å; F110-L153 HydrophobicContact CE2-CD2 3.47Å; F110-L153 VanDerWaalsContact CE2-CD2 3.47Å; F110-L153 HydrophobicContact CE2-CG 4.46Å; F110-L153 HydrophobicContact CZ-CB 3.98Å; F110-L153 HydrophobicContact CZ-CD2 3.63Å; F110-L153 HydrophobicContact CZ-CG 4.44Å; V113-L153 HydrophobicContact CB-CD2 3.9Å; V113-L153 HydrophobicContact CG1-CD2 3.66Å; V113-L153 HydrophobicContact CG1-CG 4.43Å; Q114-L153 HydrophobicContact CG-CD1 3.94Å; D149-L153 WeakPolarHBondContact O-CB 3.48Å; D149-L153 PolarHBondContact O-N 3.06Å; G150-L153 PolarHBondContact O-N 3.18Å; R151-L153 VanDerWaalsContact C-N 3.31Å; R151-L153 PolarHBondContact O-N 3.27Å; L153-D156 PolarHBondContact O-N 2.78Å; L153-L157 HydrophobicContact CD1-CD1 3.92Å; L153-L157 HydrophobicContact CD1-CG 4.15Å; L153-L157 HydrophobicContact CG-CD1 3.91Å; L153-L157 HydrophobicContact CG-CG 4.49Å; L153-L157 WeakPolarHBondContact O-CB 2.83Å; L153-L157 VanDerWaalsContact O-CG 3.24Å; L153-L157 WeakPolarHBondContact O-CG 3.27Å; L153-L157 PolarHBondContact O-N 2.98Å
154	A	98.3	Very high	97.9	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.9	-45.7	175.4	0	0	0	0	0	111.6	L132 G150 R151 R152 D156 L157 G158 F159 F161	L132-A154 HydrophobicContact CB-CB 4.21Å; L132-A154 HydrophobicContact CD2-CB 3.88Å; G150-A154 PolarHBondContact O-N 3.44Å; R151-A154 WeakPolarHBondContact O-CB 3.37Å; R151-A154 PolarHBondContact O-N 2.95Å; R151-A154 VanDerWaalsContact O-N 3.12Å; R152-A154 VanDerWaalsContact C-N 3.33Å; R152-A154 PolarHBondContact O-N 3.06Å; A154-D156 PolarHBondContact O-N 2.9Å; A154-L157 CarbonylContact O-C 3.34Å; A154-L157 PolarHBondContact O-N 3.25Å; A154-L157 VanDerWaalsContact O-N 3.15Å; A154-G158 PolarHBondContact O-N 3.28Å; A154-F159 HydrophobicContact CB-CB 4.38Å; A154-F159 WeakPolarHBondContact CB-O 3.21Å; A154-F159 PolarHBondContact O-N 2.98Å; A154-F161 HydrophobicContact CB-CB 3.66Å; A154-F161 HydrophobicContact CB-CD2 4.46Å; A154-F161 HydrophobicContact CB-CG 4.34Å
155	D	97.9	Very high	97.9	Very high	113 Å²	113	56.6 Å²	56.6	60%	0.604	29%	0.29	S	S	*	.	H	α-helix	trans	-59.6	-46.7	177	-66.7	-23.9	0	0	0	111	R151 R152 L157 G158	R151-D155 PolarHBondContact O-N 3.15Å; R152-D155 PolarHBondContact O-N 3.2Å; D155-L157 VanDerWaalsContact C-N 3.25Å; D155-L157 PolarHBondContact O-N 3.31Å; D155-G158 PolarHBondContact O-N 3.47Å
156	D	97.4	Very high	97.9	Very high	120 Å²	120	56.7 Å²	56.7	64%	0.642	29%	0.291	S	S	*	.	H	α-helix	trans	-61	-33.1	177	-73.4	-19.1	0	0	0	112.3	R152 L153 A154	R152-D156 WeakPolarHBondContact O-CB 3.48Å; R152-D156 VanDerWaalsContact O-CG 3.3Å; R152-D156 PolarHBondContact O-N 3.29Å; L153-D156 PolarHBondContact O-N 2.78Å; A154-D156 PolarHBondContact O-N 2.9Å
157	L	95.8	Very high	97.9	Very high	32 Å²	32	58.3 Å²	58.3	17%	0.168	29%	0.291	C	S	.	.	H	α-helix	trans	-87.3	-15.5	179.2	-69.3	173.8	0	0	0	113.9	V113 A117 K121 L153 A154 D155 F159	V113-L157 HydrophobicContact CG1-CD1 4.13Å; A117-L157 HydrophobicContact CB-CD1 3.96Å; A117-L157 HydrophobicContact CB-CD2 4.12Å; K121-L157 PolarHBondContact NZ-O 3.3Å; K121-L157 VanDerWaalsContact NZ-O 3.17Å; L153-L157 HydrophobicContact CD1-CD1 3.92Å; L153-L157 HydrophobicContact CD1-CG 4.15Å; L153-L157 HydrophobicContact CG-CD1 3.91Å; L153-L157 HydrophobicContact CG-CG 4.49Å; L153-L157 WeakPolarHBondContact O-CB 2.83Å; L153-L157 VanDerWaalsContact O-CG 3.24Å; L153-L157 WeakPolarHBondContact O-CG 3.27Å; L153-L157 PolarHBondContact O-N 2.98Å; A154-L157 CarbonylContact O-C 3.34Å; A154-L157 PolarHBondContact O-N 3.25Å; A154-L157 VanDerWaalsContact O-N 3.15Å; D155-L157 VanDerWaalsContact C-N 3.25Å; D155-L157 PolarHBondContact O-N 3.31Å; L157-F159 HydrophobicContact CB-CD1 4.36Å; L157-F159 HydrophobicContact CB-CD2 3.76Å; L157-F159 HydrophobicContact CB-CE1 4.37Å; L157-F159 HydrophobicContact CB-CE2 3.8Å; L157-F159 HydrophobicContact CB-CG 4.06Å; L157-F159 HydrophobicContact CB-CZ 4.11Å; L157-F159 HydrophobicContact CD1-CD2 4.05Å; L157-F159 HydrophobicContact CD1-CE2 3.82Å; L157-F159 HydrophobicContact CG-CE2 4.37Å
158	G	95.8	Very high	97.9	Very high	67 Å²	67	61.9 Å²	61.9	69%	0.691	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	31.3	-174.4	0	0	0	0	0	114.1	A154 D155	A154-G158 PolarHBondContact O-N 3.28Å; D155-G158 PolarHBondContact O-N 3.47Å
159	F	97.1	Very high	97.8	Very high	23 Å²	23	57.5 Å²	57.5	10%	0.101	28%	0.284	C	S	.	.			trans	-109.2	152.5	-177.7	-57.5	-18.9	0	0	0	111.3	L100 A117 V130 L132 A154 L157	L100-F159 HydrophobicContact CD2-CE2 4.2Å; A117-F159 HydrophobicContact CB-CE2 3.81Å; A117-F159 HydrophobicContact CB-CZ 4Å; V130-F159 HydrophobicContact CB-CD1 3.69Å; V130-F159 HydrophobicContact CB-CD2 4.28Å; V130-F159 HydrophobicContact CB-CE1 3.69Å; V130-F159 HydrophobicContact CB-CE2 4.26Å; V130-F159 HydrophobicContact CB-CG 4.01Å; V130-F159 HydrophobicContact CB-CZ 3.98Å; V130-F159 HydrophobicContact CG1-CD1 4.14Å; V130-F159 HydrophobicContact CG1-CD2 3.8Å; V130-F159 HydrophobicContact CG1-CE1 4.09Å; V130-F159 HydrophobicContact CG1-CE2 3.72Å; V130-F159 HydrophobicContact CG1-CG 4.01Å; V130-F159 HydrophobicContact CG1-CZ 3.88Å; V130-F159 HydrophobicContact CG2-CD1 4.39Å; V130-F159 HydrophobicContact CG2-CE1 3.93Å; V130-F159 HydrophobicContact CG2-CZ 4.15Å; L132-F159 HydrophobicContact CB-CB 4.49Å; A154-F159 HydrophobicContact CB-CB 4.38Å; A154-F159 WeakPolarHBondContact CB-O 3.21Å; A154-F159 PolarHBondContact O-N 2.98Å; L157-F159 HydrophobicContact CB-CD1 4.36Å; L157-F159 HydrophobicContact CB-CD2 3.76Å; L157-F159 HydrophobicContact CB-CE1 4.37Å; L157-F159 HydrophobicContact CB-CE2 3.8Å; L157-F159 HydrophobicContact CB-CG 4.06Å; L157-F159 HydrophobicContact CB-CZ 4.11Å; L157-F159 HydrophobicContact CD1-CD2 4.05Å; L157-F159 HydrophobicContact CD1-CE2 3.82Å; L157-F159 HydrophobicContact CG-CE2 4.37Å
160	E	97.5	Very high	97.8	Very high	63 Å²	63	57.7 Å²	57.7	29%	0.294	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	150.8	164.7	-66.3	-169.4	-160	0	0	110.7	I131 L132 F162 R178 V182	I131-E160 HydrophobicContact CG1-CB 4.25Å; I131-E160 HydrophobicContact CG2-CB 4.48Å; L132-E160 PolarHBondContact N-O 2.71Å; E160-F162 HydrophobicContact CB-CE2 4.5Å; E160-R178 VanDerWaalsContact CD-NE 3.33Å; E160-R178 IonicContact OE1-CZ 3.86Å; E160-R178 IonicContact OE1-NE 2.62Å; E160-R178 PolarHBondContact OE1-NE 3.41Å; E160-R178 IonicContact OE1-NH2 3.2Å; E160-R178 PolarHBondContact OE1-NH2 3.4Å; E160-R178 WeakPolarHBondContact OE2-CG 3.48Å; E160-R178 IonicContact OE2-CZ 3.83Å; E160-R178 IonicContact OE2-NE 3.36Å; E160-R178 PolarHBondContact OE2-NE 3.35Å; E160-R178 IonicContact OE2-NH2 3.87Å; E160-V182 VanDerWaalsContact OE1-CG2 3.3Å; E160-V182 WeakPolarHBondContact OE1-CG2 3.37Å
161	F	98.6	Very high	97.8	Very high	34 Å²	34	60.4 Å²	60.4	15%	0.149	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133.9	-177	179.3	-114.3	0	0	0	112.8	Y102 L132 R151 A154 E163	Y102-F161 HydrophobicContact CE1-CE2 4.04Å; L132-F161 HydrophobicContact CB-CD2 4.21Å; L132-F161 HydrophobicContact CD2-CD2 4.02Å; L132-F161 HydrophobicContact CD2-CE2 4.42Å; L132-F161 HydrophobicContact CG-CD2 4.02Å; L132-F161 HydrophobicContact CG-CE2 4.45Å; L132-F161 WeakPolarHBondContact O-CA 3.44Å; R151-F161 HydrophobicContact CB-CD1 3.82Å; R151-F161 HydrophobicContact CB-CE1 4.2Å; R151-F161 HydrophobicContact CB-CG 4.46Å; R151-F161 HydrophobicContact CG-CD1 4.4Å; A154-F161 HydrophobicContact CB-CB 3.66Å; A154-F161 HydrophobicContact CB-CD2 4.46Å; A154-F161 HydrophobicContact CB-CG 4.34Å; F161-E163 HydrophobicContact CE1-CG 3.93Å; F161-E163 HydrophobicContact CZ-CG 3.59Å
162	F	98.7	Very high	97.8	Very high	46 Å²	46	53.1 Å²	53.1	20%	0.202	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	144.6	169.7	-71.3	-100.1	0	0	0	110.4	I131 L132 V133 G134 E160 V175 R178	I131-F162 HydrophobicContact CD1-CE2 4.44Å; I131-F162 HydrophobicContact CG2-CD2 3.65Å; I131-F162 HydrophobicContact CG2-CE2 4.19Å; L132-F162 PolarHBondContact O-N 3.42Å; V133-F162 CarbonylContact C-O 3.42Å; V133-F162 VanDerWaalsContact CA-O 3.29Å; V133-F162 WeakPolarHBondContact CA-O 3.34Å; G134-F162 PolarHBondContact N-O 3Å; E160-F162 HydrophobicContact CB-CE2 4.5Å; F162-V175 HydrophobicContact CB-CG2 3.54Å; F162-V175 HydrophobicContact CD1-CG2 3.9Å; F162-V175 HydrophobicContact CD2-CG2 4.08Å; F162-V175 HydrophobicContact CG-CG2 3.57Å; F162-R178 HydrophobicContact CE2-CB 4.34Å; F162-R178 HydrophobicContact CE2-CG 4.08Å; F162-R178 HydrophobicContact CZ-CB 4.1Å; F162-R178 HydrophobicContact CZ-CG 4.03Å
163	E	98.7	Very high	97.8	Very high	37 Å²	37	50.8 Å²	50.8	17%	0.173	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	142	155.2	-67.6	-159.8	155	0	0	109.8	G134 C137 R143 A147 F161 N171	G134-E163 CarbonylContact O-C 3.59Å; G134-E163 VanDerWaalsContact O-CA 3.26Å; G134-E163 WeakPolarHBondContact O-CA 3.38Å; C137-E163 HydrophobicContact CB-CB 4.11Å; R143-E163 IonicContact CZ-OE1 2.91Å; R143-E163 IonicContact CZ-OE2 3.27Å; R143-E163 IonicContact NH1-OE1 2.97Å; R143-E163 PolarHBondContact NH1-OE1 2.86Å; R143-E163 IonicContact NH1-OE2 2.9Å; R143-E163 IonicContact NH2-OE1 2.88Å; R143-E163 PolarHBondContact NH2-OE1 3.32Å; R143-E163 IonicContact NH2-OE2 2.78Å; R143-E163 PolarHBondContact NH2-OE2 2.86Å; A147-E163 WeakPolarHBondContact CA-OE1 3.18Å; A147-E163 VanDerWaalsContact CB-OE1 3.3Å; A147-E163 WeakPolarHBondContact CB-OE1 3.21Å; F161-E163 HydrophobicContact CE1-CG 3.93Å; F161-E163 HydrophobicContact CZ-CG 3.59Å; E163-N171 WeakPolarHBondContact O-CB 3.24Å; E163-N171 PolarHBondContact O-ND2 3.48Å
164	A	98.6	Very high	97.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	161.5	-174.5	0	0	0	0	0	112.2	F38 V133 G134 N135 K136 C137 I170 N171	F38-A164 HydrophobicContact CE2-CB 3.62Å; F38-A164 HydrophobicContact CZ-CB 4.16Å; V133-A164 HydrophobicContact CG1-CB 3.87Å; G134-A164 PolarHBondContact O-N 3.47Å; N135-A164 CarbonylContact C-O 3.59Å; N135-A164 VanDerWaalsContact CA-O 3.28Å; N135-A164 WeakPolarHBondContact CA-O 3.22Å; N135-A164 PolarHBondContact OD1-O 3.38Å; K136-A164 PolarHBondContact N-O 2.91Å; C137-A164 PolarHBondContact N-O 3.12Å; C137-A164 PolarHBondContact SG-O 3Å; C137-A164 VanDerWaalsContact SG-O 3.36Å; A164-I170 VanDerWaalsContact CA-O 3.29Å; A164-I170 WeakPolarHBondContact CA-O 3.41Å; A164-I170 VanDerWaalsContact CB-O 3.29Å; A164-I170 WeakPolarHBondContact CB-O 3.42Å; A164-N171 HydrophobicContact CB-CB 4.03Å
165	S	98.4	Very high	97.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-134.6	115.8	173.1	174.9	0	0	0	0	109.7	D138 K167 E168 N169 I170 V172	D138-S165 VanDerWaalsContact CG-OG 3.29Å; D138-S165 VanDerWaalsContact OD1-CB 3.3Å; D138-S165 WeakPolarHBondContact OD1-CB 3.36Å; D138-S165 PolarHBondContact OD1-OG 3.43Å; S165-K167 PolarHBondContact O-N 2.92Å; S165-K167 PolarHBondContact OG-N 3.16Å; S165-E168 PolarHBondContact OG-N 3.01Å; S165-N169 CarbonylContact O-C 3.55Å; S165-N169 WeakPolarHBondContact O-CA 3.44Å; S165-N169 PolarHBondContact O-N 3.05Å; S165-I170 PolarHBondContact N-O 3.31Å; S165-I170 PolarHBondContact O-N 3.04Å; S165-V172 WeakPolarHBondContact O-CG2 3.22Å
166	A	97.7	Very high	97.7	Very high	3 Å²	3	49 Å²	49	3%	0.025	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-31	168.5	0	0	0	0	0	112.2	F38 R41 F47 N135	F38-A166 HydrophobicContact CB-CB 4.34Å; F38-A166 HydrophobicContact CD2-CB 4.2Å; R41-A166 PolarHBondContact NE-O 3.14Å; F47-A166 HydrophobicContact CD2-CB 4.22Å; F47-A166 HydrophobicContact CE2-CB 4.28Å; N135-A166 PolarHBondContact OD1-N 3.01Å
167	K	97.2	Very high	97.7	Very high	93 Å²	93	45.7 Å²	45.7	40%	0.404	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-56	-178.5	-177.1	-166.4	177.2	-171.1	0	111	R41 F47 D138 S165 N169	R41-K167 PolarHBondContact NH2-O 3Å; F47-K167 HydrophobicContact CD1-CB 4.47Å; F47-K167 HydrophobicContact CD1-CG 4.23Å; F47-K167 HydrophobicContact CD2-CB 4.34Å; F47-K167 HydrophobicContact CE1-CB 4.01Å; F47-K167 HydrophobicContact CE1-CG 3.74Å; F47-K167 HydrophobicContact CE2-CB 3.86Å; F47-K167 HydrophobicContact CZ-CB 3.68Å; F47-K167 HydrophobicContact CZ-CG 3.89Å; D138-K167 WeakPolarHBondContact OD2-CD 3.32Å; D138-K167 IonicContact OD2-NZ 3.94Å; S165-K167 PolarHBondContact O-N 2.92Å; S165-K167 PolarHBondContact OG-N 3.16Å; K167-N169 VanDerWaalsContact C-N 3.29Å; K167-N169 PolarHBondContact O-N 3.15Å
168	E	97.5	Very high	97.8	Very high	111 Å²	111	47.6 Å²	47.6	52%	0.519	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	4	-177.8	-59	-56.2	145.8	0	0	113	D138 S165 I170	D138-E168 HydrophobicContact CB-CG 3.61Å; S165-E168 PolarHBondContact OG-N 3.01Å; E168-I170 HydrophobicContact CB-CD1 3.83Å; E168-I170 HydrophobicContact CB-CG1 3.93Å; E168-I170 PolarHBondContact O-N 3.48Å
169	N	97.5	Very high	97.9	Very high	67 Å²	67	44.4 Å²	44.4	36%	0.358	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	35.4	-178.1	-162.7	21.5	0	0	0	113.7	R41 S165 K167	R41-N169 HydrophobicContact CG-CB 4.3Å; R41-N169 WeakPolarHBondContact CG-OD1 3.3Å; S165-N169 CarbonylContact O-C 3.55Å; S165-N169 WeakPolarHBondContact O-CA 3.44Å; S165-N169 PolarHBondContact O-N 3.05Å; K167-N169 VanDerWaalsContact C-N 3.29Å; K167-N169 PolarHBondContact O-N 3.15Å
170	I	98.5	Very high	97.9	Very high	72 Å²	72	43.3 Å²	43.3	37%	0.369	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	-84.1	125.4	178.4	-61.6	168	0	0	0	108.7	A164 S165 E168 V172	A164-I170 VanDerWaalsContact CA-O 3.29Å; A164-I170 WeakPolarHBondContact CA-O 3.41Å; A164-I170 VanDerWaalsContact CB-O 3.29Å; A164-I170 WeakPolarHBondContact CB-O 3.42Å; S165-I170 PolarHBondContact N-O 3.31Å; S165-I170 PolarHBondContact O-N 3.04Å; E168-I170 HydrophobicContact CB-CD1 3.83Å; E168-I170 HydrophobicContact CB-CG1 3.93Å; E168-I170 PolarHBondContact O-N 3.48Å; I170-V172 PolarHBondContact O-N 3.49Å
171	N	98.2	Very high	97.8	Very high	57 Å²	57	42.3 Å²	42.3	31%	0.305	20%	0.198	S	C	.	.	S	Bend	trans	57.8	4.1	176.4	-66.5	-26.6	0	0	0	116.7	E163 A164 K173 Q174 V175	E163-N171 WeakPolarHBondContact O-CB 3.24Å; E163-N171 PolarHBondContact O-ND2 3.48Å; A164-N171 HydrophobicContact CB-CB 4.03Å; N171-K173 PolarHBondContact O-N 2.88Å; N171-Q174 VanDerWaalsContact CA-OE1 3.25Å; N171-Q174 PolarHBondContact O-N 3.29Å; N171-V175 HydrophobicContact CB-CG2 4.44Å; N171-V175 WeakPolarHBondContact O-CB 3.38Å; N171-V175 VanDerWaalsContact O-CG2 3.24Å; N171-V175 WeakPolarHBondContact O-CG2 3.49Å; N171-V175 PolarHBondContact O-N 2.97Å
172	V	98.3	Very high	97.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.4	-53.1	-175.5	178.9	0	0	0	0	111.1	F38 R41 S165 I170 F176	F38-V172 HydrophobicContact CD1-CG1 4.31Å; F38-V172 HydrophobicContact CD2-CG1 4.37Å; F38-V172 HydrophobicContact CD2-CG2 4.06Å; F38-V172 HydrophobicContact CE1-CG1 4.11Å; F38-V172 HydrophobicContact CE2-CB 4.17Å; F38-V172 HydrophobicContact CE2-CG1 4.19Å; F38-V172 HydrophobicContact CE2-CG2 3.71Å; F38-V172 HydrophobicContact CG-CG1 4.43Å; F38-V172 HydrophobicContact CZ-CB 4.19Å; F38-V172 HydrophobicContact CZ-CG1 4.06Å; F38-V172 HydrophobicContact CZ-CG2 4.23Å; R41-V172 HydrophobicContact CB-CG1 4.18Å; R41-V172 HydrophobicContact CG-CB 4.18Å; R41-V172 HydrophobicContact CG-CG1 3.92Å; R41-V172 HydrophobicContact CG-CG2 3.91Å; S165-V172 WeakPolarHBondContact O-CG2 3.22Å; I170-V172 PolarHBondContact O-N 3.49Å; V172-F176 WeakPolarHBondContact O-CD2 3.27Å
173	K	97.1	Very high	97.4	Very high	114 Å²	114	39.5 Å²	39.5	50%	0.496	19%	0.187	S	C	.	.	H	α-helix	trans	-61.5	-52.3	176.8	179	175.9	169.1	-173.5	0	109.9	N171 V175 F176 E177	N171-K173 PolarHBondContact O-N 2.88Å; K173-V175 VanDerWaalsContact C-N 3.27Å; K173-V175 PolarHBondContact O-N 2.72Å; K173-F176 PolarHBondContact O-N 3.18Å; K173-E177 WeakPolarHBondContact CE-OE1 3.34Å; K173-E177 WeakPolarHBondContact CE-OE2 3.36Å; K173-E177 HydrophobicContact CG-CG 3.81Å; K173-E177 IonicContact NZ-OE1 3.7Å; K173-E177 VanDerWaalsContact O-CG 3.26Å; K173-E177 WeakPolarHBondContact O-CG 3.42Å; K173-E177 PolarHBondContact O-N 3.17Å
174	Q	97.8	Very high	97.1	Very high	91 Å²	91	39.2 Å²	39.2	43%	0.425	19%	0.189	S	C	.	.	H	α-helix	trans	-52.8	-42.1	-175.7	-68	79.1	-6.1	0	0	112.6	N171 E177 R178	N171-Q174 VanDerWaalsContact CA-OE1 3.25Å; N171-Q174 PolarHBondContact O-N 3.29Å; Q174-E177 PolarHBondContact O-N 3.11Å; Q174-R178 WeakPolarHBondContact O-CB 3.15Å; Q174-R178 PolarHBondContact O-N 3.04Å
175	V	98.5	Very high	96.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.4	-47.5	176.6	166.7	0	0	0	0	111.8	F38 L99 I131 V133 F162 N171 K173 L179	F38-V175 HydrophobicContact CE1-CB 4.46Å; F38-V175 HydrophobicContact CE1-CG1 4.22Å; F38-V175 HydrophobicContact CZ-CB 4.11Å; F38-V175 HydrophobicContact CZ-CG1 4.19Å; F38-V175 HydrophobicContact CZ-CG2 4.36Å; L99-V175 HydrophobicContact CD1-CG1 3.75Å; L99-V175 HydrophobicContact CD2-CG1 3.46Å; L99-V175 VanDerWaalsContact CD2-CG1 3.46Å; L99-V175 HydrophobicContact CG-CG1 4.27Å; I131-V175 HydrophobicContact CG2-CG1 4.45Å; V133-V175 HydrophobicContact CG2-CG1 3.77Å; V133-V175 HydrophobicContact CG2-CG2 4.45Å; F162-V175 HydrophobicContact CB-CG2 3.54Å; F162-V175 HydrophobicContact CD1-CG2 3.9Å; F162-V175 HydrophobicContact CD2-CG2 4.08Å; F162-V175 HydrophobicContact CG-CG2 3.57Å; N171-V175 HydrophobicContact CB-CG2 4.44Å; N171-V175 WeakPolarHBondContact O-CB 3.38Å; N171-V175 VanDerWaalsContact O-CG2 3.24Å; N171-V175 WeakPolarHBondContact O-CG2 3.49Å; N171-V175 PolarHBondContact O-N 2.97Å; K173-V175 VanDerWaalsContact C-N 3.27Å; K173-V175 PolarHBondContact O-N 2.72Å; V175-L179 WeakPolarHBondContact O-CB 3.43Å; V175-L179 PolarHBondContact O-N 2.95Å
176	F	97.8	Very high	96.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-66.6	-40.5	176.8	-82	-79.2	0	0	0	112.1	L25 L27 F38 Y42 I75 L99 V172 K173 L179 V180	L25-F176 HydrophobicContact CD1-CD1 4.34Å; L27-F176 HydrophobicContact CD2-CE1 4.28Å; L27-F176 HydrophobicContact CD2-CZ 4.03Å; F38-F176 HydrophobicContact CD1-CD2 4.45Å; F38-F176 AromaticContact CD1-CE2 3.56Å; F38-F176 HydrophobicContact CD1-CE2 3.56Å; F38-F176 HydrophobicContact CD1-CZ 4.17Å; F38-F176 AromaticContact CE1-CD2 3.94Å; F38-F176 HydrophobicContact CE1-CD2 3.94Å; F38-F176 AromaticContact CE1-CE2 3.47Å; F38-F176 HydrophobicContact CE1-CE2 3.47Å; F38-F176 VanDerWaalsContact CE1-CE2 3.47Å; F38-F176 HydrophobicContact CE1-CZ 4.32Å; Y42-F176 VanDerWaalsContact CB-CE2 3.45Å; Y42-F176 HydrophobicContact CD1-CB 4.43Å; Y42-F176 AromaticContact CD1-CD1 3.95Å; Y42-F176 HydrophobicContact CD1-CD1 3.95Å; Y42-F176 AromaticContact CD1-CD2 3.57Å; Y42-F176 HydrophobicContact CD1-CD2 3.57Å; Y42-F176 HydrophobicContact CD1-CE1 4.02Å; Y42-F176 AromaticContact CD1-CE2 3.64Å; Y42-F176 HydrophobicContact CD1-CE2 3.64Å; Y42-F176 AromaticContact CD1-CG 3.73Å; Y42-F176 HydrophobicContact CD1-CG 3.73Å; Y42-F176 AromaticContact CD1-CZ 3.87Å; Y42-F176 HydrophobicContact CD1-CZ 3.87Å; Y42-F176 HydrophobicContact CD2-CB 4.01Å; Y42-F176 AromaticContact CD2-CD2 3.52Å; Y42-F176 HydrophobicContact CD2-CD2 3.52Å; Y42-F176 HydrophobicContact CD2-CE2 4.19Å; Y42-F176 AromaticContact CD2-CG 3.92Å; Y42-F176 HydrophobicContact CD2-CG 3.92Å; Y42-F176 HydrophobicContact CE1-CB 4.01Å; Y42-F176 AromaticContact CE1-CD1 3.78Å; Y42-F176 HydrophobicContact CE1-CD1 3.78Å; Y42-F176 HydrophobicContact CE1-CD2 4.01Å; Y42-F176 HydrophobicContact CE1-CE1 4.21Å; Y42-F176 HydrophobicContact CE1-CE2 4.41Å; Y42-F176 AromaticContact CE1-CG 3.67Å; Y42-F176 HydrophobicContact CE1-CG 3.67Å; Y42-F176 HydrophobicContact CE2-CB 3.58Å; Y42-F176 AromaticContact CE2-CD2 3.99Å; Y42-F176 HydrophobicContact CE2-CD2 3.99Å; Y42-F176 AromaticContact CE2-CG 3.9Å; Y42-F176 HydrophobicContact CE2-CG 3.9Å; Y42-F176 HydrophobicContact CG-CB 4.42Å; Y42-F176 HydrophobicContact CG-CD1 4.49Å; Y42-F176 AromaticContact CG-CD2 3.28Å; Y42-F176 HydrophobicContact CG-CD2 3.28Å; Y42-F176 AromaticContact CG-CE2 3.49Å; Y42-F176 HydrophobicContact CG-CE2 3.49Å; Y42-F176 VanDerWaalsContact CG-CE2 3.49Å; Y42-F176 AromaticContact CG-CG 3.84Å; Y42-F176 HydrophobicContact CG-CG 3.84Å; Y42-F176 HydrophobicContact CG-CZ 4.2Å; Y42-F176 AromaticContact CZ-CG 3.76Å; I75-F176 HydrophobicContact CD1-CD1 4.33Å; I75-F176 HydrophobicContact CD1-CE1 3.84Å; I75-F176 HydrophobicContact CD1-CZ 4.47Å; I75-F176 HydrophobicContact CG1-CE1 4.43Å; I75-F176 HydrophobicContact CG2-CE1 4.1Å; I75-F176 HydrophobicContact CG2-CZ 4.47Å; L99-F176 HydrophobicContact CD1-CD1 4.08Å; L99-F176 HydrophobicContact CD1-CD2 4.35Å; L99-F176 HydrophobicContact CD1-CE1 3.74Å; L99-F176 HydrophobicContact CD1-CE2 4.04Å; L99-F176 HydrophobicContact CD1-CG 4.37Å; L99-F176 HydrophobicContact CD1-CZ 3.72Å; V172-F176 WeakPolarHBondContact O-CD2 3.27Å; K173-F176 PolarHBondContact O-N 3.18Å; F176-L179 PolarHBondContact O-N 2.85Å; F176-V180 VanDerWaalsContact O-CG2 3.32Å; F176-V180 WeakPolarHBondContact O-CG2 3.38Å; F176-V180 PolarHBondContact O-N 3.31Å; F176-V180 VanDerWaalsContact O-N 3.09Å
177	E	96.6	Very high	96	Very high	49 Å²	49	49.2 Å²	49.2	23%	0.229	24%	0.235	C	C	.	.	H	α-helix	trans	-61	-47.6	177.5	-62.2	-160.6	131.8	0	0	110.8	R66 K173 Q174 L179 V180 D181	R66-E177 IonicContact CZ-OE1 2.76Å; R66-E177 IonicContact NH1-OE1 3.77Å; R66-E177 IonicContact NH2-OE1 3.61Å; R66-E177 PolarHBondContact NH2-OE1 3.19Å; R66-E177 IonicContact NH2-OE2 4Å; K173-E177 WeakPolarHBondContact CE-OE1 3.34Å; K173-E177 WeakPolarHBondContact CE-OE2 3.36Å; K173-E177 HydrophobicContact CG-CG 3.81Å; K173-E177 IonicContact NZ-OE1 3.7Å; K173-E177 VanDerWaalsContact O-CG 3.26Å; K173-E177 WeakPolarHBondContact O-CG 3.42Å; K173-E177 PolarHBondContact O-N 3.17Å; Q174-E177 PolarHBondContact O-N 3.11Å; E177-L179 PolarHBondContact O-N 3.48Å; E177-V180 PolarHBondContact O-N 2.84Å; E177-D181 VanDerWaalsContact O-CG 3.25Å; E177-D181 PolarHBondContact O-N 3.08Å
178	R	97.7	Very high	95.4	Very high	72 Å²	72	49.6 Å²	49.6	27%	0.272	24%	0.241	S	C	.	.	H	α-helix	trans	-62.9	-42.8	178.1	-176.6	59.1	-172.8	147.7	4.8	112	I131 E160 F162 Q174 V180 D181 V182 E185	I131-R178 HydrophobicContact CD1-CB 4.17Å; I131-R178 HydrophobicContact CD1-CG 4.01Å; E160-R178 VanDerWaalsContact CD-NE 3.33Å; E160-R178 IonicContact OE1-CZ 3.86Å; E160-R178 IonicContact OE1-NE 2.62Å; E160-R178 PolarHBondContact OE1-NE 3.41Å; E160-R178 IonicContact OE1-NH2 3.2Å; E160-R178 PolarHBondContact OE1-NH2 3.4Å; E160-R178 WeakPolarHBondContact OE2-CG 3.48Å; E160-R178 IonicContact OE2-CZ 3.83Å; E160-R178 IonicContact OE2-NE 3.36Å; E160-R178 PolarHBondContact OE2-NE 3.35Å; E160-R178 IonicContact OE2-NH2 3.87Å; F162-R178 HydrophobicContact CE2-CB 4.34Å; F162-R178 HydrophobicContact CE2-CG 4.08Å; F162-R178 HydrophobicContact CZ-CB 4.1Å; F162-R178 HydrophobicContact CZ-CG 4.03Å; Q174-R178 WeakPolarHBondContact O-CB 3.15Å; Q174-R178 PolarHBondContact O-N 3.04Å; R178-V180 VanDerWaalsContact C-N 3.28Å; R178-V180 PolarHBondContact O-N 2.99Å; R178-D181 PolarHBondContact O-N 2.91Å; R178-D181 VanDerWaalsContact O-N 3.14Å; R178-V182 HydrophobicContact CG-CG2 4.24Å; R178-V182 VanDerWaalsContact O-CG2 3.3Å; R178-V182 WeakPolarHBondContact O-CG2 3.25Å; R178-V182 PolarHBondContact O-N 3.09Å; R178-E185 IonicContact CZ-OE1 2.85Å; R178-E185 IonicContact NH1-OE1 2.69Å; R178-E185 PolarHBondContact NH1-OE1 2.94Å; R178-E185 IonicContact NH1-OE2 3.65Å; R178-E185 IonicContact NH2-OE2 3.59Å
179	L	97.7	Very high	94.9	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.6	-42	176.4	-178.4	60.3	0	0	0	111.7	L25 L99 Q129 I131 V175 F176 E177 I183	L25-L179 HydrophobicContact CD1-CD2 4.13Å; L25-L179 HydrophobicContact CD2-CD2 3.96Å; L25-L179 HydrophobicContact CD2-CG 4.35Å; L25-L179 HydrophobicContact CG-CD2 4.47Å; L99-L179 HydrophobicContact CD2-CB 4.36Å; L99-L179 HydrophobicContact CD2-CD2 3.68Å; L99-L179 HydrophobicContact CG-CD2 3.89Å; Q129-L179 HydrophobicContact CB-CD1 4.04Å; I131-L179 HydrophobicContact CD1-CB 3.79Å; I131-L179 HydrophobicContact CD1-CD1 4.32Å; I131-L179 HydrophobicContact CG1-CB 4.5Å; I131-L179 HydrophobicContact CG1-CD1 4.16Å; V175-L179 WeakPolarHBondContact O-CB 3.43Å; V175-L179 PolarHBondContact O-N 2.95Å; F176-L179 PolarHBondContact O-N 2.85Å; E177-L179 PolarHBondContact O-N 3.48Å; L179-I183 HydrophobicContact CD1-CD1 4.18Å; L179-I183 HydrophobicContact CD1-CG1 4.46Å; L179-I183 HydrophobicContact CG-CD1 4.02Å; L179-I183 WeakPolarHBondContact O-CD1 3.43Å; L179-I183 WeakPolarHBondContact O-CG1 3.43Å; L179-I183 PolarHBondContact O-N 2.72Å; L179-I183 VanDerWaalsContact O-N 3.1Å
180	V	96.8	Very high	93.9	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-63.4	-43.5	176.3	173	0	0	0	0	111	F23 V64 R66 I71 L73 F176 E177 R178 I183 C184	F23-V180 HydrophobicContact CD2-CG1 4.3Å; F23-V180 HydrophobicContact CE2-CG1 4Å; V64-V180 HydrophobicContact CG2-CG1 4.44Å; R66-V180 HydrophobicContact CG-CG1 3.9Å; I71-V180 HydrophobicContact CD1-CG1 3.8Å; L73-V180 HydrophobicContact CD1-CG2 3.86Å; L73-V180 HydrophobicContact CD2-CG2 3.59Å; L73-V180 HydrophobicContact CG-CG2 4.37Å; F176-V180 VanDerWaalsContact O-CG2 3.32Å; F176-V180 WeakPolarHBondContact O-CG2 3.38Å; F176-V180 PolarHBondContact O-N 3.31Å; F176-V180 VanDerWaalsContact O-N 3.09Å; E177-V180 PolarHBondContact O-N 2.84Å; R178-V180 VanDerWaalsContact C-N 3.28Å; R178-V180 PolarHBondContact O-N 2.99Å; V180-I183 PolarHBondContact O-N 3.06Å; V180-C184 PolarHBondContact O-N 3.12Å; V180-C184 PolarHBondContact O-SG 3.02Å; V180-C184 VanDerWaalsContact O-SG 3.41Å
181	D	95.6	Very high	92.4	Very high	41 Å²	41	52.8 Å²	52.8	22%	0.219	26%	0.264	C	S	.	.	H	α-helix	trans	-64.1	-45.7	-179.7	-63.2	-22.8	0	0	0	111.5	R66 E177 R178 I183 C184 E185	R66-D181 WeakPolarHBondContact CD-OD1 3.45Å; R66-D181 IonicContact NE-OD1 2.8Å; R66-D181 PolarHBondContact NE-OD1 3.19Å; E177-D181 VanDerWaalsContact O-CG 3.25Å; E177-D181 PolarHBondContact O-N 3.08Å; R178-D181 PolarHBondContact O-N 2.91Å; R178-D181 VanDerWaalsContact O-N 3.14Å; D181-I183 VanDerWaalsContact C-N 3.3Å; D181-I183 PolarHBondContact O-N 3.17Å; D181-C184 WeakPolarHBondContact O-CB 3.48Å; D181-C184 PolarHBondContact O-N 2.95Å; D181-C184 VanDerWaalsContact O-N 3.09Å; D181-E185 VanDerWaalsContact O-CG 3.32Å; D181-E185 WeakPolarHBondContact O-CG 3.47Å; D181-E185 PolarHBondContact O-N 3.26Å
182	V	94.9	Very high	90.3	Very high	17 Å²	17	57.1 Å²	57.1	10%	0.103	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-38	176.9	-179.5	0	0	0	0	111.5	Q129 E160 R178 E185 K186	Q129-V182 HydrophobicContact CB-CG1 4.06Å; Q129-V182 HydrophobicContact CG-CG1 3.77Å; Q129-V182 VanDerWaalsContact OE1-CG1 3.24Å; E160-V182 VanDerWaalsContact OE1-CG2 3.3Å; E160-V182 WeakPolarHBondContact OE1-CG2 3.37Å; R178-V182 HydrophobicContact CG-CG2 4.24Å; R178-V182 VanDerWaalsContact O-CG2 3.3Å; R178-V182 WeakPolarHBondContact O-CG2 3.25Å; R178-V182 PolarHBondContact O-N 3.09Å; V182-E185 PolarHBondContact O-N 2.94Å; V182-K186 WeakPolarHBondContact O-CB 3.27Å; V182-K186 PolarHBondContact O-N 3.07Å
183	I	94.7	Very high	88	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-64.5	-43.9	174.2	-68	165.3	0	0	0	110.6	F23 L25 M96 Q129 L179 V180 D181 K186 M187	F23-I183 HydrophobicContact CD1-CG2 4.14Å; F23-I183 HydrophobicContact CD2-CB 4.22Å; F23-I183 HydrophobicContact CD2-CD1 4.18Å; F23-I183 HydrophobicContact CD2-CG2 3.78Å; F23-I183 HydrophobicContact CE1-CG2 3.93Å; F23-I183 HydrophobicContact CE2-CB 3.95Å; F23-I183 HydrophobicContact CE2-CG2 3.52Å; F23-I183 HydrophobicContact CG-CG2 4.09Å; F23-I183 HydrophobicContact CZ-CB 4.45Å; F23-I183 HydrophobicContact CZ-CG2 3.62Å; L25-I183 HydrophobicContact CD2-CD1 3.51Å; M96-I183 HydrophobicContact CB-CD1 4.18Å; M96-I183 HydrophobicContact CB-CG2 4.2Å; M96-I183 HydrophobicContact CE-CG2 3.68Å; Q129-I183 HydrophobicContact CB-CG1 4.02Å; Q129-I183 HydrophobicContact CG-CG1 3.86Å; L179-I183 HydrophobicContact CD1-CD1 4.18Å; L179-I183 HydrophobicContact CD1-CG1 4.46Å; L179-I183 HydrophobicContact CG-CD1 4.02Å; L179-I183 WeakPolarHBondContact O-CD1 3.43Å; L179-I183 WeakPolarHBondContact O-CG1 3.43Å; L179-I183 PolarHBondContact O-N 2.72Å; L179-I183 VanDerWaalsContact O-N 3.1Å; V180-I183 PolarHBondContact O-N 3.06Å; D181-I183 VanDerWaalsContact C-N 3.3Å; D181-I183 PolarHBondContact O-N 3.17Å; I183-K186 PolarHBondContact O-N 3.21Å; I183-M187 HydrophobicContact CG2-CG 4.46Å; I183-M187 HydrophobicContact CG2-SD 4.19Å; I183-M187 VanDerWaalsContact O-CG 3.3Å; I183-M187 WeakPolarHBondContact O-CG 3.37Å; I183-M187 PolarHBondContact O-N 3.31Å
184	C	92.9	Very high	85.7	Confident	31 Å²	31	62.1 Å²	62.1	21%	0.209	33%	0.329	C	S	.	.	H	α-helix	trans	-61.7	-44.6	176.3	-75	0	0	0	0	112.1	V180 D181 K186 M187 N188	V180-C184 PolarHBondContact O-N 3.12Å; V180-C184 PolarHBondContact O-SG 3.02Å; V180-C184 VanDerWaalsContact O-SG 3.41Å; D181-C184 WeakPolarHBondContact O-CB 3.48Å; D181-C184 PolarHBondContact O-N 2.95Å; D181-C184 VanDerWaalsContact O-N 3.09Å; C184-K186 PolarHBondContact O-N 3.35Å; C184-M187 PolarHBondContact O-N 3.48Å; C184-N188 PolarHBondContact O-N 3.28Å
185	E	92.1	Very high	83.2	Confident	91 Å²	91	63.8 Å²	63.8	43%	0.425	35%	0.351	S	S	.	.	H	α-helix	trans	-55.7	-50.5	174.9	-71	163.6	-164.4	0	0	110.2	R178 D181 V182 M187 N188 E189	R178-E185 IonicContact CZ-OE1 2.85Å; R178-E185 IonicContact NH1-OE1 2.69Å; R178-E185 PolarHBondContact NH1-OE1 2.94Å; R178-E185 IonicContact NH1-OE2 3.65Å; R178-E185 IonicContact NH2-OE2 3.59Å; D181-E185 VanDerWaalsContact O-CG 3.32Å; D181-E185 WeakPolarHBondContact O-CG 3.47Å; D181-E185 PolarHBondContact O-N 3.26Å; V182-E185 PolarHBondContact O-N 2.94Å; E185-M187 PolarHBondContact O-N 3.36Å; E185-N188 PolarHBondContact O-N 3.43Å; E185-N188 VanDerWaalsContact O-N 3.15Å; E185-E189 PolarHBondContact O-N 2.98Å
186	K	90.8	Very high	81	Confident	64 Å²	64	68.1 Å²	68.1	28%	0.278	38%	0.381	S	S	.	.	H	α-helix	trans	-64	-37.1	179.7	-163.9	75	-157.9	157.1	0	113.8	N127 V182 I183 C184 N188 E189 S190	N127-K186 HydrophobicContact CB-CG 4.29Å; V182-K186 WeakPolarHBondContact O-CB 3.27Å; V182-K186 PolarHBondContact O-N 3.07Å; I183-K186 PolarHBondContact O-N 3.21Å; C184-K186 PolarHBondContact O-N 3.35Å; K186-N188 VanDerWaalsContact C-N 3.33Å; K186-E189 IonicContact NZ-OE2 2.67Å; K186-E189 PolarHBondContact NZ-OE2 2.95Å; K186-S190 PolarHBondContact O-N 3.3Å; K186-S190 PolarHBondContact O-OG 2.91Å
187	M	87.5	Confident	78.4	Confident	59 Å²	59	74.1 Å²	74.1	29%	0.291	42%	0.423	S	S	.	.	H	α-helix	trans	-66	-37.9	175.5	-74.8	-177.8	74.3	0	0	111.7	Y21 F23 M96 I183 C184 E185 S190 L191	Y21-M187 HydrophobicContact CD1-CE 3.83Å; Y21-M187 HydrophobicContact CE1-CE 3.86Å; F23-M187 HydrophobicContact CD1-SD 4.49Å; F23-M187 HydrophobicContact CE1-CE 4.44Å; F23-M187 HydrophobicContact CE1-SD 3.45Å; F23-M187 WeakPolarHBondContact CE1-SD 3.49Å; F23-M187 HydrophobicContact CZ-SD 3.75Å; M96-M187 HydrophobicContact CE-CE 4.25Å; M96-M187 HydrophobicContact CE-CG 4.15Å; M96-M187 HydrophobicContact CE-SD 3.4Å; M96-M187 WeakPolarHBondContact CE-SD 3.48Å; I183-M187 HydrophobicContact CG2-CG 4.46Å; I183-M187 HydrophobicContact CG2-SD 4.19Å; I183-M187 VanDerWaalsContact O-CG 3.3Å; I183-M187 WeakPolarHBondContact O-CG 3.37Å; I183-M187 PolarHBondContact O-N 3.31Å; C184-M187 PolarHBondContact O-N 3.48Å; E185-M187 PolarHBondContact O-N 3.36Å; M187-S190 PolarHBondContact O-N 3.06Å; M187-L191 WeakPolarHBondContact O-CG 3.38Å; M187-L191 PolarHBondContact O-N 3.38Å
188	N	86	Confident	75.7	Confident	101 Å²	101	76 Å²	76	54%	0.54	46%	0.455	S	S	.	.	H	α-helix	trans	-69.2	-41.2	178.2	-165.9	61.1	0	0	0	111.8	C184 E185 K186 S190 L191	C184-N188 PolarHBondContact O-N 3.28Å; E185-N188 PolarHBondContact O-N 3.43Å; E185-N188 VanDerWaalsContact O-N 3.15Å; K186-N188 VanDerWaalsContact C-N 3.33Å; N188-S190 PolarHBondContact O-N 3.29Å; N188-L191 PolarHBondContact O-N 3.03Å; N188-L191 VanDerWaalsContact O-N 3.08Å
189	E	85	Confident	73.3	Confident	118 Å²	118	78.2 Å²	78.2	55%	0.551	48%	0.482	S	S	*	.	H	α-helix	trans	-57.6	-34.3	173.3	-71.1	177.1	179	0	0	112.8	E185 K186 L191	E185-E189 PolarHBondContact O-N 2.98Å; K186-E189 IonicContact NZ-OE2 2.67Å; K186-E189 PolarHBondContact NZ-OE2 2.95Å; E189-L191 VanDerWaalsContact C-N 3.28Å; E189-L191 PolarHBondContact O-N 3.25Å
190	S	77.3	Confident	70.8	Confident	75 Å²	75	86.3 Å²	86.3	52%	0.524	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-16.1	-179.6	-56.6	0	0	0	0	113.3	K186 M187 N188	K186-S190 PolarHBondContact O-N 3.3Å; K186-S190 PolarHBondContact O-OG 2.91Å; M187-S190 PolarHBondContact O-N 3.06Å; N188-S190 PolarHBondContact O-N 3.29Å
191	L	67.6	Low	68.5	Low	124 Å²	124	89.6 Å²	89.6	65%	0.649	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-13.5	-177.2	-71.7	168.2	0	0	0	113.4	M187 N188 E189 P193	M187-L191 WeakPolarHBondContact O-CG 3.38Å; M187-L191 PolarHBondContact O-N 3.38Å; N188-L191 PolarHBondContact O-N 3.03Å; N188-L191 VanDerWaalsContact O-N 3.08Å; E189-L191 VanDerWaalsContact C-N 3.28Å; E189-L191 PolarHBondContact O-N 3.25Å; L191-P193 WeakPolarHBondContact O-CD 3.48Å
192	E	53.6	Low	66.4	Low	148 Å²	148	98 Å²	98	69%	0.692	59%	0.594	S	S	*	*	S	Bend	trans	-92.7	98.5	173.4	-62.9	-153.8	140	0	0	110.1	S194	E192-S194 PolarHBondContact O-N 3.3Å
193	P	50.7	Low	64.1	Low	109 Å²	109	100.8 Å²	100.8	71%	0.708	63%	0.626	S	S	*	*			trans	-64.8	131.3	170.6	27.3	-32.4	0	0	0	108.4	L191 S195	L191-P193 WeakPolarHBondContact O-CD 3.48Å; P193-S195 VanDerWaalsContact C-N 3.34Å; P193-S195 PolarHBondContact O-N 3.19Å
194	S	48.3	Very low	61.7	Low	110 Å²	110	106.7 Å²	106.7	77%	0.769	67%	0.665	S	S	*	*			trans	-44.4	89.2	174.2	42.5	0	0	0	0	113	E192 S196	E192-S194 PolarHBondContact O-N 3.3Å; S194-S196 PolarHBondContact O-N 2.87Å
195	S	45.6	Very low	59.9	Low	125 Å²	125	110.3 Å²	110.3	87%	0.874	70%	0.696	S	S	*	*			trans	-80.1	72.1	168.7	59.6	0	0	0	0	108.8	P193	P193-S195 VanDerWaalsContact C-N 3.34Å; P193-S195 PolarHBondContact O-N 3.19Å
196	S	51	Low	57.9	Low	92 Å²	92	113.1 Å²	113.1	64%	0.643	72%	0.719	S	S	*	*			trans	-147.6	79.4	176.4	58.5	0	0	0	0	111.5	S194	S194-S196 PolarHBondContact O-N 2.87Å
197	S	45	Very low	55.9	Low	126 Å²	126	113.3 Å²	113.3	88%	0.881	74%	0.739	S	S	*	*			trans	170.6	73.5	134.4	-78.5	0	0	0	0	111.2
198	G	38.2	Very low	54.2	Low	88 Å²	88	118.1 Å²	118.1	91%	0.907	77%	0.766	S	S	*	*			trans	-92.7	90.4	158.9	0	0	0	0	0	109.3
199	S	49	Very low	52.7	Low	119 Å²	119	117.3 Å²	117.3	83%	0.832	77%	0.774	S	S	*	*			trans	-95	104.4	168.4	168.9	0	0	0	0	109.1
200	N	45.2	Very low	51.1	Low	170 Å²	170	118 Å²	118	91%	0.909	79%	0.788	S	S	*	*			trans	-53.5	140.9	167.8	-99.8	-24.3	0	0	0	112.7
201	G	47.3	Very low	50.1	Low	70 Å²	70	119.1 Å²	119.1	72%	0.722	80%	0.802	S	S	*	*			trans	151.6	104.2	145.8	0	0	0	0	0	118.1
202	K	51.7	Low	49.4	Very low	218 Å²	218	118.7 Å²	118.7	95%	0.948	81%	0.807	S	S	*	*			trans	84.5	106.2	153	-73.5	165.7	167.2	173.8	0	118.3
203	G	46.7	Very low	49.3	Very low	74 Å²	74	120.3 Å²	120.3	76%	0.763	81%	0.814	S	S	*	*			trans	-80.9	174.4	179.1	0	0	0	0	0	115.7
204	P	44.4	Very low	49.7	Very low	129 Å²	129	120.1 Å²	120.1	84%	0.838	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-94.5	135.5	-177.4	35	-27.8	0	0	0	111.5
205	A	55.1	Low	50.2	Low	106 Å²	106	120.2 Å²	120.2	88%	0.876	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-95.8	139.2	168.4	0	0	0	0	0	110.2
206	V	50.7	Low	51.2	Low	150 Å²	150	120.1 Å²	120.1	91%	0.909	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-96	150.5	-170.9	172.7	0	0	0	0	111.2
207	G	48.2	Very low	51.3	Low	68 Å²	68	122.1 Å²	122.1	70%	0.701	83%	0.826	S	S	*	*			trans	125.9	137.6	163.4	0	0	0	0	0	112.2
208	D	51.4	Low	52.5	Low	160 Å²	160	121.4 Å²	121.4	86%	0.856	82%	0.821	S	S	*	*			cis	-168	159.3	9.8	-155.9	-59.9	0	0	0	108.7
209	A	54.8	Low	53.8	Low	84 Å²	84	127.2 Å²	127.2	69%	0.694	85%	0.845	S	S	*	*			trans	66.8	127.8	157.7	0	0	0	0	0	124.2
210	P	50.7	Low	54	Low	132 Å²	132	127.6 Å²	127.6	86%	0.857	85%	0.846	S	S	*	*			trans	-111.9	163.2	173.9	40.7	-30.6	0	0	0	114.8
211	A	58.1	Low	54.5	Low	99 Å²	99	125.4 Å²	125.4	82%	0.818	84%	0.842	S	S	*	*			trans	-166.2	155.5	155.2	0	0	0	0	0	112.9
212	P	51.4	Low	54.9	Low	115 Å²	115	128.4 Å²	128.4	75%	0.747	85%	0.849	S	S	*	*			trans	-126.3	157.5	-141.5	38.4	-22.7	0	0	0	118.4
213	Q	52.6	Low	55.1	Low	182 Å²	182	123.2 Å²	123.2	85%	0.85	84%	0.843	S	S	*	*			trans	52.7	173.9	141.8	-72.5	-162.5	6.5	0	0	121.6
214	P	58.7	Low	55.6	Low	106 Å²	106	126.3 Å²	126.3	69%	0.688	85%	0.848	S	S	*	*			cis	-137	-176.7	-14.6	22.1	3.6	0	0	0	116
215	S	58.3	Low	56.4	Low	111 Å²	111	126.1 Å²	126.1	78%	0.776	85%	0.849	S	S	*	*			trans	105.6	117.1	141.6	77.5	0	0	0	0	120.2
216	S	66.5	Low	56.4	Low	124 Å²	124	127.5 Å²	127.5	87%	0.867	85%	0.847	S	S	*	*				-176.8	136.8	97.9	53.7	0	0	0	0	111.7
217	C	53.3	Low	56.9	Low	133 Å²	133	125.8 Å²	125.8	90%	0.899	84%	0.842	S	S	*	*			trans	-111.2	151.9	169.8	-105.9	0	0	0	0	108.2
218	S	71	Confident	57.6	Low	112 Å²	112	130.6 Å²	130.6	78%	0.783	85%	0.854	S	S	*	*			trans	-156.8	123.6	153.8	47	0	0	0	0	111.4
219	C	64.6	Low	58.2	Low	209 Å²	209	127.9 Å²	127.9	100%	1.412	85%	0.854	S	S	*	*			trans	46.7	0	153.2	-57.4	0	0	0	0	121

Retrieved 219 of 219 residues in 89 ms (Link to these results)

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