RAB3D_HUMAN Loading...

Ras-related protein Rab-3D

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 (By similarity). RAB3D may be involved in the insulin-induced exocytosis of GLUT4-containing vesicles in adipocytes (By similarity).

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

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	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 556.4 ms (Link to these results)

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