A0A087YMQ4_POEFO Loading...

Ras-related protein Rab-3

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

AlphaFold DB (A0A3B3UPX5), UniProt , Accession A0A087YMQ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 219 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.5	Very low	38.2	Very low	254 Å²	254	147.3 Å²	147.3	100%	1.251	86%	0.864	S	S	*	*				0	98.9	0	-75.4	-178.7	-176	0	0	107.7
2	A	32.8	Very low	38.6	Very low	99 Å²	99	152.4 Å²	152.4	82%	0.818	87%	0.873	S	S	*	*			trans	-138.2	109.3	171.6	0	0	0	0	0	106
3	A	34.2	Very low	38.7	Very low	99 Å²	99	146.7 Å²	146.7	82%	0.818	87%	0.868	S	S	*	*			trans	-90.5	104.5	175.3	0	0	0	0	0	107.6
4	T	38.7	Very low	39.1	Very low	133 Å²	133	140.1 Å²	140.1	82%	0.816	85%	0.846	S	S	*	*			trans	-90.4	107.4	160.5	38.3	0	0	0	0	106.9
5	Q	37.5	Very low	40.3	Very low	182 Å²	182	137.8 Å²	137.8	85%	0.85	83%	0.827	S	S	*	*			trans	-78.6	120.4	170	-72.6	-178.8	-5.3	0	0	108.5	V7	Q5-V7 PolarHBondContact O-N 2.77Å
6	D	38.8	Very low	41.5	Very low	160 Å²	160	140.2 Å²	140.2	86%	0.856	83%	0.827	S	S	*	*			trans	-58.3	123.2	172.2	-76.1	-73.5	0	0	0	111.7	K8	D6-K8 PolarHBondContact O-N 2.81Å; D6-K8 VanDerWaalsContact O-N 3.09Å
7	V	41.2	Very low	43.8	Very low	145 Å²	145	140.1 Å²	140.1	88%	0.879	82%	0.822	S	S	*	*			trans	-69.6	101.1	166.2	175.8	0	0	0	0	107.5	Q5 G9	Q5-V7 PolarHBondContact O-N 2.77Å; V7-G9 PolarHBondContact O-N 2.87Å; V7-G9 VanDerWaalsContact O-N 3.15Å
8	K	41.1	Very low	46.1	Very low	199 Å²	199	136.2 Å²	136.2	87%	0.865	79%	0.793	S	S	*	*			trans	-65.3	111.1	177	-150.4	174.4	-173.1	179.6	0	109.3	D6 K10	D6-K8 PolarHBondContact O-N 2.81Å; D6-K8 VanDerWaalsContact O-N 3.09Å; K8-K10 PolarHBondContact O-N 2.88Å
9	G	36.7	Very low	48.5	Very low	72 Å²	72	132.9 Å²	132.9	74%	0.742	77%	0.772	S	S	*	*			trans	-52.4	122.1	174.2	0	0	0	0	0	111.4	V7 G11	V7-G9 PolarHBondContact O-N 2.87Å; V7-G9 VanDerWaalsContact O-N 3.15Å; G9-G11 PolarHBondContact O-N 3.25Å
10	K	40.1	Very low	50.7	Low	210 Å²	210	131.2 Å²	131.2	91%	0.913	75%	0.753	S	S	*	*			trans	-82.4	102.7	172.3	-156.2	176.7	-175.8	-177.4	0	106.7	K8	K8-K10 PolarHBondContact O-N 2.88Å
11	G	36.2	Very low	52.8	Low	67 Å²	67	128.5 Å²	128.5	69%	0.691	74%	0.735	S	S	*	*			trans	-58.3	140.2	178.2	0	0	0	0	0	112.5	G9 G13	G9-G11 PolarHBondContact O-N 3.25Å; G11-G13 VanDerWaalsContact C-N 3.34Å; G11-G13 PolarHBondContact O-N 3.28Å
12	E	42.9	Very low	55.4	Low	209 Å²	209	116.5 Å²	116.5	98%	0.977	68%	0.675	S	S	*	*			trans	-63.7	86.9	171.2	-67.5	172.5	119.5	0	0	110.3
13	G	40.3	Very low	58.3	Low	78 Å²	78	113.6 Å²	113.6	80%	0.804	64%	0.644	S	S	*	*			trans	-114.5	32.8	-180	0	0	0	0	0	114.1	G11	G11-G13 VanDerWaalsContact C-N 3.34Å; G11-G13 PolarHBondContact O-N 3.28Å
14	G	44.3	Very low	61.3	Low	55 Å²	55	108.9 Å²	108.9	57%	0.567	61%	0.606	S	S	*	*			trans	-101.8	-9.7	-172.2	0	0	0	0	0	117.1	R69	G14-R69 PolarHBondContact O-NH1 2.89Å; G14-R69 VanDerWaalsContact O-NH1 3.12Å
15	D	58	Low	64.1	Low	105 Å²	105	102.6 Å²	102.6	56%	0.561	57%	0.567	S	S	*	*	S	Bend	trans	-110	14.7	-163.5	-78.1	-25.7	0	0	0	115.9	R69 K71	D15-R69 IonicContact OD1-CZ 3.88Å; D15-R69 IonicContact OD1-NH2 2.78Å; D15-R69 PolarHBondContact OD1-NH2 3.35Å; D15-K71 WeakPolarHBondContact O-CE 3.31Å; D15-K71 PolarHBondContact O-NZ 2.82Å
16	Q	58.1	Low	66.8	Low	176 Å²	176	93.9 Å²	93.9	82%	0.822	53%	0.526	S	S	*	.	S	Bend	trans	-90.7	-19	178.5	-66.2	-101	39.4	0	0	113.6
17	N	81.6	Confident	69.5	Low	138 Å²	138	86.3 Å²	86.3	74%	0.738	49%	0.485	S	S	*	.			trans	-96.5	101.9	-174.9	-152.7	48	0	0	0	110.3	R69	N17-R69 VanDerWaalsContact O-CD 3.24Å; N17-R69 WeakPolarHBondContact O-CD 3.4Å; N17-R69 PolarHBondContact O-NH1 2.91Å
18	F	84.7	Confident	72.1	Confident	71 Å²	71	79.4 Å²	79.4	31%	0.311	44%	0.444	S	S	.	.			trans	-139.6	147.4	171.6	60.6	-87	0	0	0	109.1	Y20 M21 R69 K71	F18-Y20 WeakPolarHBondContact CD2-O 3.27Å; F18-M21 HydrophobicContact CD2-CB 4.29Å; F18-M21 HydrophobicContact CE1-CE 4.18Å; F18-M21 HydrophobicContact CE2-CB 3.79Å; F18-M21 HydrophobicContact CE2-CE 3.82Å; F18-M21 HydrophobicContact CZ-CE 3.51Å; F18-R69 HydrophobicContact CB-CG 4.37Å; F18-K71 HydrophobicContact CB-CD 4.09Å; F18-K71 HydrophobicContact CB-CG 3.87Å; F18-K71 HydrophobicContact CD1-CD 3.49Å; F18-K71 VanDerWaalsContact CD1-CD 3.49Å; F18-K71 HydrophobicContact CD1-CG 4.23Å; F18-K71 HydrophobicContact CD2-CD 4.27Å; F18-K71 HydrophobicContact CD2-CG 4.4Å; F18-K71 HydrophobicContact CE1-CD 3.95Å; F18-K71 HydrophobicContact CG-CB 4.48Å; F18-K71 HydrophobicContact CG-CD 3.67Å; F18-K71 HydrophobicContact CG-CG 3.9Å
19	D	91.3	Very high	74.5	Confident	73 Å²	73	71.5 Å²	71.5	39%	0.39	41%	0.411	S	S	.	.	S	Bend	trans	-83.1	-39.8	-178.9	-61.7	-97	0	0	0	111.7	K68 R69	D19-K68 HydrophobicContact CB-CB 4.13Å; D19-K68 HydrophobicContact CB-CD 3.67Å; D19-K68 WeakPolarHBondContact OD1-CD 3.45Å; D19-K68 IonicContact OD1-NZ 2.61Å; D19-K68 PolarHBondContact OD1-NZ 2.72Å; D19-K68 WeakPolarHBondContact OD2-CA 3.39Å; D19-R69 PolarHBondContact N-O 2.99Å; D19-R69 PolarHBondContact OD2-N 3.27Å
20	Y	93.8	Very high	77.1	Confident	99 Å²	99	70.2 Å²	70.2	39%	0.388	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	152.1	-176.3	-58.6	-74.6	0	0	0	111.7	F18 F22 K68 R69 I70 K71 M186	F18-Y20 WeakPolarHBondContact CD2-O 3.27Å; Y20-F22 HydrophobicContact CG-CE1 4.4Å; Y20-K68 HydrophobicContact CD2-CB 4.17Å; Y20-K68 HydrophobicContact CE2-CB 4.08Å; Y20-K68 HydrophobicContact CE2-CD 3.94Å; Y20-K68 HydrophobicContact CE2-CG 3.94Å; Y20-R69 PolarHBondContact N-O 2.8Å; Y20-I70 HydrophobicContact CD2-CG1 4.3Å; Y20-I70 CarbonylContact O-C 3.59Å; Y20-I70 WeakPolarHBondContact O-CA 3.47Å; Y20-K71 PolarHBondContact O-N 3.09Å; Y20-M186 HydrophobicContact CD1-CE 4.48Å
21	M	94.4	Very high	79.5	Confident	75 Å²	75	62.9 Å²	62.9	37%	0.369	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	120.5	172.8	179.4	178.8	-71.6	0	0	109.4	F18 K71 Q73	F18-M21 HydrophobicContact CD2-CB 4.29Å; F18-M21 HydrophobicContact CE1-CE 4.18Å; F18-M21 HydrophobicContact CE2-CB 3.79Å; F18-M21 HydrophobicContact CE2-CE 3.82Å; F18-M21 HydrophobicContact CZ-CE 3.51Å; M21-K71 CarbonylContact C-O 3.52Å; M21-K71 VanDerWaalsContact CA-O 3.28Å; M21-K71 WeakPolarHBondContact CA-O 3.44Å; M21-K71 HydrophobicContact CE-CD 4.32Å; M21-Q73 HydrophobicContact CG-CG 4.05Å; M21-Q73 HydrophobicContact SD-CG 4.1Å; M21-Q73 PolarHBondContact SD-NE2 2.79Å; M21-Q73 VanDerWaalsContact SD-NE2 3.44Å
22	F	96.1	Very high	82.3	Confident	1 Å²	1	59.8 Å²	59.8	0%	0.004	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	123.8	179	-63.1	-9.9	0	0	0	110.4	Y20 L24 I70 K71 L72 Q73 M95 V179 I182 M186	Y20-F22 HydrophobicContact CG-CE1 4.4Å; F22-L24 HydrophobicContact CB-CD2 4.17Å; F22-I70 HydrophobicContact CD1-CG2 4.2Å; F22-I70 HydrophobicContact CD2-CG2 3.69Å; F22-I70 HydrophobicContact CE1-CG2 4.24Å; F22-I70 HydrophobicContact CE2-CD1 4.07Å; F22-I70 HydrophobicContact CE2-CG2 3.77Å; F22-I70 HydrophobicContact CG-CG2 3.9Å; F22-I70 HydrophobicContact CZ-CD1 4.16Å; F22-I70 HydrophobicContact CZ-CG2 4.01Å; F22-K71 PolarHBondContact N-O 3.29Å; F22-L72 HydrophobicContact CB-CD2 3.99Å; F22-L72 HydrophobicContact CD2-CD2 4.01Å; F22-L72 HydrophobicContact CG-CD2 4.37Å; F22-Q73 PolarHBondContact O-N 2.8Å; F22-M95 HydrophobicContact CB-SD 4.3Å; F22-M95 HydrophobicContact CD1-CE 3.77Å; F22-M95 HydrophobicContact CD1-SD 3.66Å; F22-M95 HydrophobicContact CE1-CE 3.97Å; F22-M95 HydrophobicContact CE1-SD 4.44Å; F22-M95 HydrophobicContact CG-SD 4.27Å; F22-V179 HydrophobicContact CD2-CG1 4.45Å; F22-V179 HydrophobicContact CD2-CG2 4.41Å; F22-V179 HydrophobicContact CE2-CG1 4.05Å; F22-I182 HydrophobicContact CD1-CG2 4.13Å; F22-I182 HydrophobicContact CD2-CB 4.26Å; F22-I182 HydrophobicContact CD2-CD1 4.1Å; F22-I182 HydrophobicContact CD2-CG2 3.89Å; F22-I182 HydrophobicContact CE1-CG2 3.97Å; F22-I182 HydrophobicContact CE2-CB 4.02Å; F22-I182 HydrophobicContact CE2-CG2 3.68Å; F22-I182 HydrophobicContact CG-CG2 4.14Å; F22-I182 HydrophobicContact CZ-CG2 3.75Å; F22-M186 HydrophobicContact CE1-CE 3.37Å; F22-M186 HydrophobicContact CE1-SD 4Å; F22-M186 HydrophobicContact CZ-CE 3.3Å; F22-M186 HydrophobicContact CZ-SD 4.45Å
23	K	95.6	Very high	84.8	Confident	38 Å²	38	50.5 Å²	50.5	17%	0.165	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	114.5	171.1	-179.3	175.3	171.3	-171.8	0	109.4	L25 Y90 R92 M95 G96	K23-L25 HydrophobicContact CG-CD1 4.04Å; K23-Y90 WeakPolarHBondContact CE-O 3.47Å; K23-Y90 PolarHBondContact NZ-O 3.05Å; K23-R92 PolarHBondContact NZ-O 3.17Å; K23-M95 PolarHBondContact O-N 3.22Å; K23-G96 PolarHBondContact O-N 3.24Å
24	L	96.8	Very high	87.4	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	139.4	-179.2	-51.4	-175.3	0	0	0	110.2	F22 L72 Q73 I74 W75 G96 F175 L178 I182	F22-L24 HydrophobicContact CB-CD2 4.17Å; L24-L72 HydrophobicContact CD1-CB 4.34Å; L24-L72 HydrophobicContact CD1-CD1 4.33Å; L24-L72 HydrophobicContact CD1-CD2 4.25Å; L24-Q73 PolarHBondContact N-O 2.98Å; L24-I74 HydrophobicContact CB-CG1 4.48Å; L24-I74 HydrophobicContact CD1-CG1 4.37Å; L24-I74 WeakPolarHBondContact O-CA 3.48Å; L24-W75 PolarHBondContact O-N 2.82Å; L24-G96 VanDerWaalsContact CA-O 3.31Å; L24-G96 WeakPolarHBondContact CA-O 3.41Å; L24-F175 HydrophobicContact CD1-CD1 4.31Å; L24-L178 HydrophobicContact CD1-CD2 4.29Å; L24-L178 HydrophobicContact CD2-CD2 4.04Å; L24-L178 HydrophobicContact CD2-CG 4.35Å; L24-I182 HydrophobicContact CD2-CD1 3.47Å; L24-I182 VanDerWaalsContact CD2-CD1 3.47Å
25	L	95.8	Very high	89.8	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	138.4	174.1	-82.2	66.1	0	0	0	110.1	K23 I27 W75 Y91 A94 G96 F97 I98	K23-L25 HydrophobicContact CG-CD1 4.04Å; L25-I27 HydrophobicContact CB-CG2 4.22Å; L25-W75 HydrophobicContact CD1-CB 4.22Å; L25-W75 HydrophobicContact CD1-CG 4.27Å; L25-W75 HydrophobicContact CG-CB 3.99Å; L25-Y91 HydrophobicContact CD2-CD1 3.51Å; L25-Y91 HydrophobicContact CD2-CE1 3.9Å; L25-A94 HydrophobicContact CD1-CB 3.6Å; L25-G96 PolarHBondContact N-O 2.86Å; L25-F97 HydrophobicContact CB-CD1 3.82Å; L25-F97 HydrophobicContact CB-CE1 3.97Å; L25-F97 HydrophobicContact CD2-CD1 4.48Å; L25-F97 HydrophobicContact CD2-CE1 3.81Å; L25-F97 HydrophobicContact CG-CE1 4.4Å; L25-F97 CarbonylContact O-C 3.59Å; L25-F97 WeakPolarHBondContact O-CA 3.25Å; L25-I98 PolarHBondContact O-N 3.47Å
26	I	96.1	Very high	91.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	121	166.8	-46.1	177.8	0	0	0	107.3	K34 F37 L38 I74 W75 T77 I98 M100 F175	I26-K34 HydrophobicContact CB-CB 4.4Å; I26-K34 HydrophobicContact CG2-CB 3.7Å; I26-K34 HydrophobicContact CG2-CD 4Å; I26-K34 HydrophobicContact CG2-CG 3.74Å; I26-F37 HydrophobicContact CD1-CD1 4.42Å; I26-L38 HydrophobicContact CD1-CB 3.9Å; I26-I74 HydrophobicContact CD1-CG2 4.03Å; I26-I74 HydrophobicContact CG1-CG2 4.07Å; I26-W75 PolarHBondContact N-O 3.02Å; I26-T77 PolarHBondContact O-OG1 3.39Å; I26-I98 WeakPolarHBondContact CA-O 3.3Å; I26-I98 HydrophobicContact CG1-CB 4.41Å; I26-I98 HydrophobicContact CG1-CD1 4.49Å; I26-I98 HydrophobicContact CG2-CB 4.27Å; I26-I98 HydrophobicContact CG2-CG2 4.32Å; I26-M100 HydrophobicContact CG2-CE 4.35Å; I26-F175 HydrophobicContact CD1-CZ 4.01Å
27	I	94.9	Very high	93.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	162.8	-177	66.7	161.4	0	0	0	111.5	L25 K34 T77 T87 Y91 F97 I98 L99 M100 W115 I119	L25-I27 HydrophobicContact CB-CG2 4.22Å; I27-K34 VanDerWaalsContact C-CD 3.47Å; I27-T77 HydrophobicContact CG2-CG2 4.38Å; I27-T87 HydrophobicContact CG2-CG2 4.4Å; I27-Y91 HydrophobicContact CG2-CE1 4.08Å; I27-F97 HydrophobicContact CD1-CD1 4.28Å; I27-F97 HydrophobicContact CG2-CD1 4.43Å; I27-I98 PolarHBondContact N-O 3.44Å; I27-L99 HydrophobicContact CD1-CD1 4.05Å; I27-L99 HydrophobicContact CG1-CB 4.37Å; I27-L99 HydrophobicContact CG1-CD1 3.88Å; I27-M100 PolarHBondContact O-N 3.49Å; I27-W115 HydrophobicContact CD1-CB 4.22Å; I27-W115 HydrophobicContact CD1-CE3 4.13Å; I27-I119 HydrophobicContact CD1-CD1 3.47Å; I27-I119 VanDerWaalsContact CD1-CD1 3.47Å; I27-I119 HydrophobicContact CD1-CG1 3.65Å; I27-I119 HydrophobicContact CG1-CD1 4.47Å
28	G	94.6	Very high	94.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.151	C	C	.	.			trans	141.5	172.2	-175.6	0	0	0	0	0	111.3	K34 G79 M100	G28-K34 PolarHBondContact O-NZ 3.47Å; G28-G79 WeakPolarHBondContact O-CA 3.27Å; G28-M100 WeakPolarHBondContact CA-O 3.31Å
29	N	92.6	Very high	94.5	Very high	33 Å²	33	27.9 Å²	27.9	18%	0.176	15%	0.151	C	C	.	.	S	Bend	trans	-58.1	166.5	-177.9	-78.2	18.7	0	0	0	112.8	V32 K34 G79 A111 W115	N29-V32 HydrophobicContact CB-CG1 3.97Å; N29-V32 VanDerWaalsContact O-CG2 3.29Å; N29-V32 WeakPolarHBondContact O-CG2 3.41Å; N29-K34 PolarHBondContact O-NZ 3.37Å; N29-G79 CarbonylContact C-O 3.55Å; N29-A111 WeakPolarHBondContact OD1-CB 3.41Å; N29-W115 PolarHBondContact OD1-NE1 2.84Å
30	S	90.5	Very high	94.8	Very high	46 Å²	46	26.3 Å²	26.3	32%	0.322	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	156.2	170.4	-164	0	0	0	0	110.2	V32 G79	S30-V32 PolarHBondContact O-N 2.8Å; S30-G79 PolarHBondContact N-O 3.3Å
31	S	91.7	Very high	94.9	Very high	56 Å²	56	22.4 Å²	22.4	39%	0.392	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	3.9	175.9	66.1	0	0	0	0	118.8	G33 K135	S31-G33 PolarHBondContact O-N 3.05Å; S31-K135 WeakPolarHBondContact O-CE 3.4Å; S31-K135 PolarHBondContact O-NZ 2.91Å
32	V	95.3	Very high	94.8	Very high	1 Å²	1	20 Å²	20	1%	0.006	12%	0.116	C	C	.	.	S	Bend	trans	-70	-14.3	175.8	-54.6	0	0	0	0	114.2	N29 S30 K34 M100 D102 N134	N29-V32 HydrophobicContact CB-CG1 3.97Å; N29-V32 VanDerWaalsContact O-CG2 3.29Å; N29-V32 WeakPolarHBondContact O-CG2 3.41Å; S30-V32 PolarHBondContact O-N 2.8Å; V32-K34 HydrophobicContact CG2-CD 4.29Å; V32-K34 HydrophobicContact CG2-CG 3.66Å; V32-M100 HydrophobicContact CB-CG 4.37Å; V32-M100 HydrophobicContact CG2-CB 4.1Å; V32-M100 HydrophobicContact CG2-CG 3.92Å; V32-M100 HydrophobicContact CG2-SD 4.14Å; V32-D102 HydrophobicContact CB-CB 4.18Å; V32-D102 HydrophobicContact CG1-CB 4.1Å; V32-N134 PolarHBondContact O-ND2 2.85Å
33	G	95	Very high	94.6	Very high	15 Å²	15	24 Å²	24	16%	0.155	14%	0.137	C	C	.	.	S	Bend	trans	103.3	18.3	172.9	0	0	0	0	0	116.6	S31 T35 S36 F37	S31-G33 PolarHBondContact O-N 3.05Å; G33-T35 PolarHBondContact O-N 3.29Å; G33-S36 PolarHBondContact O-N 2.92Å; G33-F37 VanDerWaalsContact O-CB 3.31Å; G33-F37 WeakPolarHBondContact O-CB 3.44Å; G33-F37 PolarHBondContact O-N 3.3Å
34	K	95.3	Very high	94.5	Very high	9 Å²	9	27.1 Å²	27.1	4%	0.039	16%	0.156	C	C	.	.	H	α-helix	trans	-51.3	-50.7	179	-56.5	-172.8	-63.5	-75.3	0	113.7	I26 I27 G28 N29 V32 F37 L38 D76 T77 G79 M100	I26-K34 HydrophobicContact CB-CB 4.4Å; I26-K34 HydrophobicContact CG2-CB 3.7Å; I26-K34 HydrophobicContact CG2-CD 4Å; I26-K34 HydrophobicContact CG2-CG 3.74Å; I27-K34 VanDerWaalsContact C-CD 3.47Å; G28-K34 PolarHBondContact O-NZ 3.47Å; N29-K34 PolarHBondContact O-NZ 3.37Å; V32-K34 HydrophobicContact CG2-CD 4.29Å; V32-K34 HydrophobicContact CG2-CG 3.66Å; K34-F37 WeakPolarHBondContact O-CB 3.47Å; K34-F37 PolarHBondContact O-N 2.7Å; K34-L38 PolarHBondContact O-N 2.99Å; K34-D76 WeakPolarHBondContact CB-OD1 3.45Å; K34-T77 WeakPolarHBondContact CE-O 3.46Å; K34-G79 VanDerWaalsContact NZ-CA 3.29Å; K34-M100 HydrophobicContact CG-CB 4.37Å; K34-M100 HydrophobicContact CG-SD 4.09Å
35	T	94.1	Very high	94.2	Very high	31 Å²	31	29.2 Å²	29.2	19%	0.19	17%	0.173	C	C	.	.	H	α-helix	trans	-63.2	-47	179.6	-50.5	0	0	0	0	111.9	G33 F37 L38 F39 T53 D76	G33-T35 PolarHBondContact O-N 3.29Å; T35-F37 VanDerWaalsContact C-N 3.27Å; T35-F37 PolarHBondContact O-N 2.92Å; T35-L38 PolarHBondContact O-N 3.32Å; T35-F39 HydrophobicContact CG2-CD2 3.76Å; T35-F39 HydrophobicContact CG2-CE2 3.48Å; T35-F39 VanDerWaalsContact CG2-CE2 3.48Å; T35-F39 VanDerWaalsContact O-CD2 3.29Å; T35-F39 WeakPolarHBondContact O-CD2 3.45Å; T35-F39 PolarHBondContact O-N 2.98Å; T35-T53 PolarHBondContact OG1-OG1 3.31Å; T35-D76 WeakPolarHBondContact CA-OD2 3.19Å; T35-D76 VanDerWaalsContact CB-OD2 3.25Å; T35-D76 WeakPolarHBondContact CB-OD2 3.4Å; T35-D76 WeakPolarHBondContact CG2-OD2 3.4Å; T35-D76 PolarHBondContact N-OD1 3.05Å; T35-D76 PolarHBondContact OG1-OD1 3.06Å; T35-D76 PolarHBondContact OG1-OD2 3.18Å
36	S	95.2	Very high	94	Very high	33 Å²	33	33 Å²	33	23%	0.231	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-36.1	176.3	-54.1	0	0	0	0	111.9	G33 F39 R40	G33-S36 PolarHBondContact O-N 2.92Å; S36-F39 PolarHBondContact O-N 2.93Å; S36-R40 VanDerWaalsContact O-CB 3.3Å; S36-R40 WeakPolarHBondContact O-CB 3.28Å; S36-R40 PolarHBondContact O-N 3.49Å
37	F	96.7	Very high	93.5	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.1	-42.8	176.4	-170.7	-98.3	0	0	0	111.9	I26 G33 K34 T35 R40 Y41 I98 M100 T163 A165 V171 T174 F175	I26-F37 HydrophobicContact CD1-CD1 4.42Å; G33-F37 VanDerWaalsContact O-CB 3.31Å; G33-F37 WeakPolarHBondContact O-CB 3.44Å; G33-F37 PolarHBondContact O-N 3.3Å; K34-F37 WeakPolarHBondContact O-CB 3.47Å; K34-F37 PolarHBondContact O-N 2.7Å; T35-F37 VanDerWaalsContact C-N 3.27Å; T35-F37 PolarHBondContact O-N 2.92Å; F37-R40 PolarHBondContact O-N 2.85Å; F37-Y41 WeakPolarHBondContact O-CB 3.1Å; F37-Y41 PolarHBondContact O-N 3.42Å; F37-I98 HydrophobicContact CE1-CD1 4.14Å; F37-M100 HydrophobicContact CB-CE 3.69Å; F37-M100 HydrophobicContact CB-SD 4.46Å; F37-M100 HydrophobicContact CD1-CE 3.64Å; F37-M100 HydrophobicContact CD2-CE 3.8Å; F37-M100 HydrophobicContact CE1-CE 4.14Å; F37-M100 HydrophobicContact CE2-CE 4.29Å; F37-M100 HydrophobicContact CG-CE 3.44Å; F37-M100 VanDerWaalsContact CG-CE 3.44Å; F37-M100 HydrophobicContact CZ-CE 4.45Å; F37-T163 HydrophobicContact CE2-CG2 3.84Å; F37-T163 HydrophobicContact CZ-CG2 4.22Å; F37-A165 HydrophobicContact CB-CB 4.31Å; F37-A165 HydrophobicContact CD2-CB 4.43Å; F37-V171 HydrophobicContact CD2-CB 4.45Å; F37-V171 HydrophobicContact CD2-CG1 4.1Å; F37-V171 HydrophobicContact CD2-CG2 3.95Å; F37-V171 HydrophobicContact CE1-CG1 4.37Å; F37-V171 HydrophobicContact CE2-CB 3.92Å; F37-V171 HydrophobicContact CE2-CG1 3.84Å; F37-V171 HydrophobicContact CE2-CG2 3.68Å; F37-V171 HydrophobicContact CG-CG1 4.46Å; F37-V171 HydrophobicContact CZ-CB 4.29Å; F37-V171 HydrophobicContact CZ-CG1 3.99Å; F37-T174 HydrophobicContact CE1-CG2 4.37Å; F37-T174 HydrophobicContact CZ-CG2 4.05Å; F37-F175 AromaticContact CD1-CE2 3.67Å; F37-F175 HydrophobicContact CD1-CE2 3.67Å; F37-F175 HydrophobicContact CD1-CZ 4.02Å; F37-F175 AromaticContact CE1-CD2 3.96Å; F37-F175 HydrophobicContact CE1-CD2 3.96Å; F37-F175 AromaticContact CE1-CE2 3.23Å; F37-F175 HydrophobicContact CE1-CE2 3.23Å; F37-F175 AromaticContact CE1-CZ 3.83Å; F37-F175 HydrophobicContact CE1-CZ 3.83Å; F37-F175 HydrophobicContact CZ-CE2 4.12Å
38	L	95.8	Very high	92.8	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.016	25%	0.252	C	S	.	.	H	α-helix	trans	-62.2	-46.9	172.8	178	57.1	0	0	0	111.6	I26 K34 T35 R40 Y41 A42 K59 I74 D76	I26-L38 HydrophobicContact CD1-CB 3.9Å; K34-L38 PolarHBondContact O-N 2.99Å; T35-L38 PolarHBondContact O-N 3.32Å; L38-R40 VanDerWaalsContact C-N 3.33Å; L38-R40 PolarHBondContact O-N 2.93Å; L38-Y41 PolarHBondContact O-N 3.42Å; L38-A42 HydrophobicContact CD1-CB 4.49Å; L38-A42 VanDerWaalsContact O-CB 3.31Å; L38-A42 WeakPolarHBondContact O-CB 3.49Å; L38-A42 PolarHBondContact O-N 3.44Å; L38-K59 HydrophobicContact CD1-CB 4.34Å; L38-K59 HydrophobicContact CD2-CB 4.29Å; L38-K59 HydrophobicContact CD2-CD 4.43Å; L38-K59 HydrophobicContact CD2-CG 4.31Å; L38-K59 HydrophobicContact CG-CD 4.28Å; L38-I74 HydrophobicContact CD1-CB 3.93Å; L38-I74 HydrophobicContact CD1-CD1 4.02Å; L38-I74 HydrophobicContact CD1-CG2 3.64Å; L38-D76 HydrophobicContact CD2-CB 3.67Å
39	F	94	Very high	92.1	Very high	71 Å²	71	45.1 Å²	45.1	31%	0.311	27%	0.274	S	S	.	.	H	α-helix	trans	-62.7	-41.1	178.2	-80	-52.9	0	0	0	112.1	T35 S36 Y41 A42 D43 D44 A45 K59	T35-F39 HydrophobicContact CG2-CD2 3.76Å; T35-F39 HydrophobicContact CG2-CE2 3.48Å; T35-F39 VanDerWaalsContact CG2-CE2 3.48Å; T35-F39 VanDerWaalsContact O-CD2 3.29Å; T35-F39 WeakPolarHBondContact O-CD2 3.45Å; T35-F39 PolarHBondContact O-N 2.98Å; S36-F39 PolarHBondContact O-N 2.93Å; F39-Y41 VanDerWaalsContact C-N 3.32Å; F39-Y41 PolarHBondContact O-N 3.03Å; F39-A42 PolarHBondContact O-N 3.15Å; F39-D43 WeakPolarHBondContact CD1-OD2 3.2Å; F39-D43 WeakPolarHBondContact O-CA 3.4Å; F39-D43 PolarHBondContact O-N 3.01Å; F39-D44 PolarHBondContact O-N 3.02Å; F39-A45 CarbonylContact C-O 3.35Å; F39-K59 VanDerWaalsContact CE1-CE 3.48Å
40	R	96.2	Very high	91.2	Very high	40 Å²	40	50.2 Å²	50.2	15%	0.151	30%	0.295	C	S	.	.	H	α-helix	trans	-60.3	-44.7	174.5	177.5	56.9	74.9	-178.6	6.6	111	S36 F37 L38 D44 A45 A165 K166 N168 V171	S36-R40 VanDerWaalsContact O-CB 3.3Å; S36-R40 WeakPolarHBondContact O-CB 3.28Å; S36-R40 PolarHBondContact O-N 3.49Å; F37-R40 PolarHBondContact O-N 2.85Å; L38-R40 VanDerWaalsContact C-N 3.33Å; L38-R40 PolarHBondContact O-N 2.93Å; R40-D44 WeakPolarHBondContact CD-OD1 3.33Å; R40-D44 IonicContact CZ-OD1 2.79Å; R40-D44 PolarHBondContact NH1-O 2.92Å; R40-D44 VanDerWaalsContact NH1-O 3.1Å; R40-D44 IonicContact NH1-OD1 2.81Å; R40-D44 PolarHBondContact NH1-OD1 2.95Å; R40-D44 VanDerWaalsContact O-CA 3.26Å; R40-D44 WeakPolarHBondContact O-CA 3.03Å; R40-D44 PolarHBondContact O-N 2.61Å; R40-A45 WeakPolarHBondContact CA-O 3.24Å; R40-A45 PolarHBondContact N-O 2.98Å; R40-A165 HydrophobicContact CB-CB 4.45Å; R40-A165 WeakPolarHBondContact CG-O 3.42Å; R40-A165 PolarHBondContact NE-O 2.84Å; R40-K166 PolarHBondContact NH2-O 3.19Å; R40-N168 WeakPolarHBondContact CD-OD1 3.28Å; R40-N168 HydrophobicContact CG-CB 4.33Å; R40-N168 WeakPolarHBondContact CG-OD1 3.49Å; R40-V171 HydrophobicContact CB-CG1 4.32Å; R40-V171 HydrophobicContact CG-CB 4.27Å; R40-V171 HydrophobicContact CG-CG1 4.01Å; R40-V171 HydrophobicContact CG-CG2 3.89Å
41	Y	96.4	Very high	90.6	Very high	18 Å²	18	53.5 Å²	53.5	7%	0.071	31%	0.313	C	S	.	.	H	α-helix	trans	-67.8	-44.9	178.6	178	-116.9	0	0	0	113.3	F37 L38 F39 K61 V63 L72 I74 K172 F175	F37-Y41 WeakPolarHBondContact O-CB 3.1Å; F37-Y41 PolarHBondContact O-N 3.42Å; L38-Y41 PolarHBondContact O-N 3.42Å; F39-Y41 VanDerWaalsContact C-N 3.32Å; F39-Y41 PolarHBondContact O-N 3.03Å; Y41-K61 HydrophobicContact CD1-CD 4.09Å; Y41-K61 HydrophobicContact CE1-CB 4.35Å; Y41-K61 HydrophobicContact CE1-CD 3.6Å; Y41-K61 HydrophobicContact CE1-CG 4.22Å; Y41-K61 PolarHBondContact O-NZ 3.43Å; Y41-V63 WeakPolarHBondContact OH-CG1 3.32Å; Y41-L72 HydrophobicContact CE1-CD1 4.4Å; Y41-I74 HydrophobicContact CD1-CD1 3.82Å; Y41-I74 HydrophobicContact CE1-CD1 3.64Å; Y41-K172 HydrophobicContact CE2-CG 4.45Å; Y41-F175 VanDerWaalsContact CB-CE2 3.42Å; Y41-F175 HydrophobicContact CD1-CD1 4.02Å; Y41-F175 AromaticContact CD1-CD2 3.65Å; Y41-F175 HydrophobicContact CD1-CD2 3.65Å; Y41-F175 AromaticContact CD1-CE1 3.99Å; Y41-F175 HydrophobicContact CD1-CE1 3.99Å; Y41-F175 AromaticContact CD1-CE2 3.63Å; Y41-F175 HydrophobicContact CD1-CE2 3.63Å; Y41-F175 AromaticContact CD1-CG 3.85Å; Y41-F175 HydrophobicContact CD1-CG 3.85Å; Y41-F175 AromaticContact CD1-CZ 3.81Å; Y41-F175 HydrophobicContact CD1-CZ 3.81Å; Y41-F175 HydrophobicContact CD2-CB 4.24Å; Y41-F175 AromaticContact CD2-CD2 3.45Å; Y41-F175 HydrophobicContact CD2-CD2 3.45Å; Y41-F175 VanDerWaalsContact CD2-CD2 3.45Å; Y41-F175 AromaticContact CD2-CE2 3.99Å; Y41-F175 HydrophobicContact CD2-CE2 3.99Å; Y41-F175 AromaticContact CD2-CG 3.98Å; Y41-F175 HydrophobicContact CD2-CG 3.98Å; Y41-F175 HydrophobicContact CE1-CB 4.18Å; Y41-F175 AromaticContact CE1-CD1 3.86Å; Y41-F175 HydrophobicContact CE1-CD1 3.86Å; Y41-F175 HydrophobicContact CE1-CD2 4.02Å; Y41-F175 HydrophobicContact CE1-CE1 4.22Å; Y41-F175 HydrophobicContact CE1-CE2 4.37Å; Y41-F175 AromaticContact CE1-CG 3.75Å; Y41-F175 HydrophobicContact CE1-CG 3.75Å; Y41-F175 HydrophobicContact CE1-CZ 4.47Å; Y41-F175 HydrophobicContact CE2-CB 3.76Å; Y41-F175 AromaticContact CE2-CD2 3.86Å; Y41-F175 HydrophobicContact CE2-CD2 3.86Å; Y41-F175 AromaticContact CE2-CG 3.91Å; Y41-F175 HydrophobicContact CE2-CG 3.91Å; Y41-F175 AromaticContact CG-CD2 3.34Å; Y41-F175 HydrophobicContact CG-CD2 3.34Å; Y41-F175 AromaticContact CG-CE2 3.39Å; Y41-F175 HydrophobicContact CG-CE2 3.39Å; Y41-F175 AromaticContact CG-CG 3.96Å; Y41-F175 HydrophobicContact CG-CG 3.96Å; Y41-F175 HydrophobicContact CG-CZ 4.05Å; Y41-F175 AromaticContact CZ-CG 3.79Å
42	A	92.9	Very high	90	Very high	24 Å²	24	54.3 Å²	54.3	20%	0.198	32%	0.319	C	S	.	.	H	α-helix	trans	-80.5	-45.3	-171.1	0	0	0	0	0	112.6	L38 F39 K59	L38-A42 HydrophobicContact CD1-CB 4.49Å; L38-A42 VanDerWaalsContact O-CB 3.31Å; L38-A42 WeakPolarHBondContact O-CB 3.49Å; L38-A42 PolarHBondContact O-N 3.44Å; F39-A42 PolarHBondContact O-N 3.15Å; A42-K59 HydrophobicContact CB-CD 3.45Å; A42-K59 VanDerWaalsContact CB-CD 3.45Å
43	D	91.6	Very high	89.1	Confident	84 Å²	84	56.1 Å²	56.1	45%	0.449	33%	0.33	S	S	.	.	H	α-helix	trans	-117.8	0.1	-166.2	-54.5	-15.5	0	0	0	112.8	F39 A45 K59	F39-D43 WeakPolarHBondContact CD1-OD2 3.2Å; F39-D43 WeakPolarHBondContact O-CA 3.4Å; F39-D43 PolarHBondContact O-N 3.01Å; D43-A45 HydrophobicContact CB-CB 4.19Å; D43-A45 PolarHBondContact O-N 2.92Å; D43-K59 IonicContact OD1-NZ 2.88Å; D43-K59 PolarHBondContact OD1-NZ 3.21Å; D43-K59 WeakPolarHBondContact OD2-CE 3.49Å; D43-K59 IonicContact OD2-NZ 3.77Å; D43-K59 PolarHBondContact OD2-NZ 3.41Å
44	D	92.4	Very high	88.2	Confident	105 Å²	105	61.3 Å²	61.3	56%	0.561	36%	0.359	S	S	*	.	S	Bend	trans	50.6	35.3	-171.6	-162.2	20.7	0	0	0	113.5	F39 R40	F39-D44 PolarHBondContact O-N 3.02Å; R40-D44 WeakPolarHBondContact CD-OD1 3.33Å; R40-D44 IonicContact CZ-OD1 2.79Å; R40-D44 PolarHBondContact NH1-O 2.92Å; R40-D44 VanDerWaalsContact NH1-O 3.1Å; R40-D44 IonicContact NH1-OD1 2.81Å; R40-D44 PolarHBondContact NH1-OD1 2.95Å; R40-D44 VanDerWaalsContact O-CA 3.26Å; R40-D44 WeakPolarHBondContact O-CA 3.03Å; R40-D44 PolarHBondContact O-N 2.61Å
45	A	90.6	Very high	87.2	Confident	45 Å²	45	62.1 Å²	62.1	37%	0.372	37%	0.369	S	S	.	.			trans	-116.3	146.3	-176.2	0	0	0	0	0	111.5	F39 R40 D43	F39-A45 CarbonylContact C-O 3.35Å; R40-A45 WeakPolarHBondContact CA-O 3.24Å; R40-A45 PolarHBondContact N-O 2.98Å; D43-A45 HydrophobicContact CB-CB 4.19Å; D43-A45 PolarHBondContact O-N 2.92Å
46	F	92.2	Very high	86.6	Confident	80 Å²	80	62.7 Å²	62.7	35%	0.351	37%	0.371	S	S	.	.			trans	-140.3	140.1	171.7	177.5	-93.9	0	0	0	110.3	A165 K166	F46-A165 HydrophobicContact CD2-CB 4.27Å; F46-A165 HydrophobicContact CE2-CB 4.37Å; F46-K166 HydrophobicContact CD1-CB 4.42Å; F46-K166 HydrophobicContact CD1-CG 4.2Å; F46-K166 HydrophobicContact CD2-CB 4.32Å; F46-K166 HydrophobicContact CE1-CB 4.02Å; F46-K166 HydrophobicContact CE1-CG 3.75Å; F46-K166 HydrophobicContact CE2-CB 3.89Å; F46-K166 HydrophobicContact CZ-CB 3.73Å; F46-K166 HydrophobicContact CZ-CG 3.94Å
47	T	86.6	Confident	86.1	Confident	82 Å²	82	64.5 Å²	64.5	50%	0.503	38%	0.378	S	S	.	.			trans	-129.1	137	170.1	-177.9	0	0	0	0	109.1	A49	T47-A49 WeakPolarHBondContact OG1-CB 3.42Å; T47-A49 PolarHBondContact OG1-N 3.45Å
48	S	79.8	Confident	85.7	Confident	114 Å²	114	68 Å²	68	80%	0.797	39%	0.393	S	S	*	.			trans	-79.1	-10.5	173.1	54.4	0	0	0	0	112.6	F50	S48-F50 PolarHBondContact O-N 3.25Å; S48-F50 VanDerWaalsContact O-N 3.13Å
49	A	80.4	Confident	85.5	Confident	57 Å²	57	70 Å²	70	47%	0.471	40%	0.402	S	S	.	.			trans	-64.3	115.6	177.6	0	0	0	0	0	109.8	T47 V51	T47-A49 WeakPolarHBondContact OG1-CB 3.42Å; T47-A49 PolarHBondContact OG1-N 3.45Å; A49-V51 PolarHBondContact O-N 2.86Å; A49-V51 VanDerWaalsContact O-N 3.14Å
50	F	72.4	Confident	85.5	Confident	140 Å²	140	70.3 Å²	70.3	61%	0.614	41%	0.41	S	S	*	.			trans	-74.4	104.7	172.6	-177.1	-100.9	0	0	0	109.4	S48 S52	S48-F50 PolarHBondContact O-N 3.25Å; S48-F50 VanDerWaalsContact O-N 3.13Å; F50-S52 WeakPolarHBondContact CE1-OG 3.4Å
51	V	77.7	Confident	85.4	Confident	116 Å²	116	71.7 Å²	71.7	70%	0.703	42%	0.416	S	S	*	.			trans	-115.1	117.6	170.4	-176.9	0	0	0	0	107.5	A49 T53	A49-V51 PolarHBondContact O-N 2.86Å; A49-V51 VanDerWaalsContact O-N 3.14Å; V51-T53 PolarHBondContact O-N 2.86Å
52	S	80.2	Confident	85.4	Confident	73 Å²	73	73 Å²	73	51%	0.51	43%	0.426	S	S	.	.			trans	-63.1	123.8	176	-63.8	0	0	0	0	110.3	F50 V54	F50-S52 WeakPolarHBondContact CE1-OG 3.4Å; S52-V54 PolarHBondContact O-N 3.41Å
53	T	76.1	Confident	85.5	Confident	39 Å²	39	73.1 Å²	73.1	24%	0.239	43%	0.425	C	S	.	.			trans	-67.1	119.2	174.4	-46.7	0	0	0	0	109.5	T35 V51 A78	T35-T53 PolarHBondContact OG1-OG1 3.31Å; V51-T53 PolarHBondContact O-N 2.86Å; T53-A78 WeakPolarHBondContact O-CB 3.5Å
54	V	75.3	Confident	85.5	Confident	124 Å²	124	77.2 Å²	77.2	75%	0.752	44%	0.435	S	S	*	.			trans	-94.8	113.7	174.3	-178.7	0	0	0	0	108	S52	S52-V54 PolarHBondContact O-N 3.41Å
55	G	74.6	Confident	85.3	Confident	26 Å²	26	74.2 Å²	74.2	27%	0.268	42%	0.417	S	S	.	.	S	Bend	trans	81.5	-137.3	179.2	0	0	0	0	0	113.5	A78	G55-A78 WeakPolarHBondContact O-CB 3.37Å; G55-A78 PolarHBondContact O-N 2.87Å
56	I	81.9	Confident	85.1	Confident	43 Å²	43	78.6 Å²	78.6	22%	0.221	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	131.6	-174.6	-70.2	170.8	0	0	0	107.8	W75 D76 T77 I86 Y90	I56-W75 HydrophobicContact CG2-CE3 3.6Å; I56-W75 HydrophobicContact CG2-CZ3 4.22Å; I56-D76 CarbonylContact C-O 3.58Å; I56-D76 VanDerWaalsContact CA-O 3.29Å; I56-D76 WeakPolarHBondContact CA-O 3.49Å; I56-D76 WeakPolarHBondContact CG2-O 3.26Å; I56-T77 HydrophobicContact CG1-CG2 4.4Å; I56-I86 HydrophobicContact CD1-CG2 4.16Å; I56-Y90 HydrophobicContact CD1-CD1 4.4Å; I56-Y90 HydrophobicContact CD1-CD2 3.29Å; I56-Y90 HydrophobicContact CD1-CE1 4.32Å; I56-Y90 HydrophobicContact CD1-CE2 3.21Å; I56-Y90 HydrophobicContact CD1-CG 3.92Å
57	D	84.9	Confident	84.9	Confident	71 Å²	71	82.7 Å²	82.7	38%	0.38	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	159.2	174.8	-164	13.3	0	0	0	110.4	W75 D76	D57-W75 WeakPolarHBondContact O-CA 3.49Å; D57-D76 HydrophobicContact CB-CB 4.41Å; D57-D76 PolarHBondContact N-O 3.47Å; D57-D76 PolarHBondContact O-N 3.37Å
58	F	86.9	Confident	85.1	Confident	72 Å²	72	82.7 Å²	82.7	32%	0.316	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	129.1	-171.1	169.2	-98.8	0	0	0	111.3	V60 Q73 I74 W75	F58-V60 HydrophobicContact CD1-CG2 4.45Å; F58-V60 HydrophobicContact CE1-CG2 3.37Å; F58-V60 HydrophobicContact CE2-CG2 4.33Å; F58-V60 HydrophobicContact CZ-CG2 3.3Å; F58-Q73 HydrophobicContact CE2-CB 3.66Å; F58-Q73 HydrophobicContact CE2-CG 3.76Å; F58-Q73 HydrophobicContact CZ-CB 4.2Å; F58-Q73 HydrophobicContact CZ-CG 3.78Å; F58-I74 WeakPolarHBondContact CA-O 3.29Å; F58-W75 HydrophobicContact CB-CE3 4.25Å; F58-W75 HydrophobicContact CB-CZ3 4.35Å; F58-W75 AromaticContact CD2-CD2 3.82Å; F58-W75 HydrophobicContact CD2-CD2 3.82Å; F58-W75 AromaticContact CD2-CE2 3.61Å; F58-W75 HydrophobicContact CD2-CE3 4.2Å; F58-W75 HydrophobicContact CD2-CG 4.27Å; F58-W75 HydrophobicContact CD2-CH2 4.28Å; F58-W75 AromaticContact CD2-CZ2 3.88Å; F58-W75 HydrophobicContact CD2-CZ2 3.88Å; F58-W75 HydrophobicContact CD2-CZ3 4.41Å; F58-W75 AromaticContact CD2-NE1 3.87Å; F58-W75 AromaticContact CE2-CE2 3.94Å; F58-W75 HydrophobicContact CE2-CZ2 4.08Å; F58-W75 AromaticContact CE2-NE1 3.92Å
59	K	92.8	Very high	85.8	Confident	46 Å²	46	79.1 Å²	79.1	20%	0.2	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.8	170.9	-78	-165.2	177.3	-103.9	0	112.3	L38 F39 A42 D43 I74	L38-K59 HydrophobicContact CD1-CB 4.34Å; L38-K59 HydrophobicContact CD2-CB 4.29Å; L38-K59 HydrophobicContact CD2-CD 4.43Å; L38-K59 HydrophobicContact CD2-CG 4.31Å; L38-K59 HydrophobicContact CG-CD 4.28Å; F39-K59 VanDerWaalsContact CE1-CE 3.48Å; A42-K59 HydrophobicContact CB-CD 3.45Å; A42-K59 VanDerWaalsContact CB-CD 3.45Å; D43-K59 IonicContact OD1-NZ 2.88Å; D43-K59 PolarHBondContact OD1-NZ 3.21Å; D43-K59 WeakPolarHBondContact OD2-CE 3.49Å; D43-K59 IonicContact OD2-NZ 3.77Å; D43-K59 PolarHBondContact OD2-NZ 3.41Å; K59-I74 PolarHBondContact N-O 2.73Å; K59-I74 PolarHBondContact O-N 3.07Å
60	V	94.3	Very high	86.6	Confident	78 Å²	78	76.5 Å²	76.5	47%	0.473	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.5	171.4	-177.6	0	0	0	0	109.4	F58 L72	F58-V60 HydrophobicContact CD1-CG2 4.45Å; F58-V60 HydrophobicContact CE1-CG2 3.37Å; F58-V60 HydrophobicContact CE2-CG2 4.33Å; F58-V60 HydrophobicContact CZ-CG2 3.3Å; V60-L72 VanDerWaalsContact CA-O 3.27Å; V60-L72 WeakPolarHBondContact CA-O 3.46Å
61	K	94.3	Very high	87.7	Confident	68 Å²	68	71.2 Å²	71.2	30%	0.296	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129.7	171.3	-176.4	146.7	178	155.2	0	109.8	Y41 V63 L72	Y41-K61 HydrophobicContact CD1-CD 4.09Å; Y41-K61 HydrophobicContact CE1-CB 4.35Å; Y41-K61 HydrophobicContact CE1-CD 3.6Å; Y41-K61 HydrophobicContact CE1-CG 4.22Å; Y41-K61 PolarHBondContact O-NZ 3.43Å; K61-V63 HydrophobicContact CG-CG1 4.46Å; K61-L72 PolarHBondContact N-O 3.02Å; K61-L72 WeakPolarHBondContact O-CA 3.45Å; K61-L72 WeakPolarHBondContact O-CB 3.44Å; K61-L72 PolarHBondContact O-N 3.06Å
62	T	94.8	Very high	88.6	Confident	45 Å²	45	65.7 Å²	65.7	28%	0.276	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	130.3	173.1	-61.3	0	0	0	0	109	Y64 R69 I70	T62-Y64 HydrophobicContact CG2-CE2 4.25Å; T62-R69 HydrophobicContact CG2-CG 3.38Å; T62-R69 VanDerWaalsContact CG2-NE 3.31Å; T62-I70 WeakPolarHBondContact CA-O 3.27Å
63	V	94.9	Very high	89.4	Confident	28 Å²	28	64.6 Å²	64.6	17%	0.17	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	157.8	169.9	-57.9	0	0	0	0	109.9	Y41 K61 I70 L72	Y41-V63 WeakPolarHBondContact OH-CG1 3.32Å; K61-V63 HydrophobicContact CG-CG1 4.46Å; V63-I70 HydrophobicContact CG2-CB 3.89Å; V63-I70 HydrophobicContact CG2-CG2 4.41Å; V63-I70 PolarHBondContact N-O 3.46Å; V63-I70 PolarHBondContact O-N 2.98Å; V63-L72 HydrophobicContact CG1-CD1 3.72Å; V63-L72 HydrophobicContact CG1-CG 4.3Å; V63-L72 HydrophobicContact CG2-CD1 4.03Å; V63-L72 HydrophobicContact CG2-CD2 4.12Å; V63-L72 HydrophobicContact CG2-CG 4.02Å
64	Y	92.2	Very high	90.3	Very high	169 Å²	169	62.7 Å²	62.7	66%	0.663	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.6	176.7	-68.3	-91.2	0	0	0	109.1	T62 K68 R69	T62-Y64 HydrophobicContact CG2-CE2 4.25Å; Y64-K68 WeakPolarHBondContact CA-O 3.42Å; Y64-R69 HydrophobicContact CD1-CB 4.2Å; Y64-R69 HydrophobicContact CD1-CG 4.47Å; Y64-R69 HydrophobicContact CE1-CB 3.89Å; Y64-R69 HydrophobicContact CE1-CG 3.9Å
65	K	88.9	Confident	91.2	Very high	43 Å²	43	59.4 Å²	59.4	19%	0.187	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	129	175.8	-172.2	173	179.8	-167.2	0	109.8	D67 K68 I70 V179 D180	K65-D67 VanDerWaalsContact C-N 3.29Å; K65-D67 PolarHBondContact O-N 2.56Å; K65-K68 PolarHBondContact N-O 2.97Å; K65-K68 WeakPolarHBondContact O-CA 3.3Å; K65-K68 VanDerWaalsContact O-CB 3.25Å; K65-K68 WeakPolarHBondContact O-CB 3.4Å; K65-K68 PolarHBondContact O-N 3.28Å; K65-I70 HydrophobicContact CB-CD1 3.94Å; K65-V179 HydrophobicContact CD-CG1 4.23Å; K65-D180 WeakPolarHBondContact CD-OD1 3.12Å; K65-D180 WeakPolarHBondContact CE-OD1 3.29Å; K65-D180 VanDerWaalsContact NZ-CA 3.28Å; K65-D180 VanDerWaalsContact NZ-CG 3.27Å; K65-D180 IonicContact NZ-OD1 3.55Å; K65-D180 PolarHBondContact NZ-OD1 3.34Å
66	N	86.8	Confident	92	Very high	136 Å²	136	58.1 Å²	58.1	73%	0.727	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	46.2	-178.9	-57.2	-21.3	0	0	0	113	K68	N66-K68 PolarHBondContact O-N 3.35Å
67	D	87.4	Confident	92.2	Very high	167 Å²	167	56.2 Å²	56.2	89%	0.893	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	12.1	-174.3	-59.2	-37.6	0	0	0	115.7	K65	K65-D67 VanDerWaalsContact C-N 3.29Å; K65-D67 PolarHBondContact O-N 2.56Å
68	K	91.3	Very high	91.8	Very high	82 Å²	82	53 Å²	53	36%	0.357	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	133.8	174.8	-60.9	-73	174.3	178.1	0	110.6	D19 Y20 Y64 K65 N66	D19-K68 HydrophobicContact CB-CB 4.13Å; D19-K68 HydrophobicContact CB-CD 3.67Å; D19-K68 WeakPolarHBondContact OD1-CD 3.45Å; D19-K68 IonicContact OD1-NZ 2.61Å; D19-K68 PolarHBondContact OD1-NZ 2.72Å; D19-K68 WeakPolarHBondContact OD2-CA 3.39Å; Y20-K68 HydrophobicContact CD2-CB 4.17Å; Y20-K68 HydrophobicContact CE2-CB 4.08Å; Y20-K68 HydrophobicContact CE2-CD 3.94Å; Y20-K68 HydrophobicContact CE2-CG 3.94Å; Y64-K68 WeakPolarHBondContact CA-O 3.42Å; K65-K68 PolarHBondContact N-O 2.97Å; K65-K68 WeakPolarHBondContact O-CA 3.3Å; K65-K68 VanDerWaalsContact O-CB 3.25Å; K65-K68 WeakPolarHBondContact O-CB 3.4Å; K65-K68 PolarHBondContact O-N 3.28Å; N66-K68 PolarHBondContact O-N 3.35Å
69	R	94.3	Very high	90.7	Very high	38 Å²	38	50 Å²	50	14%	0.143	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	110.5	174.9	-174.6	173.5	170.3	-164.9	14.6	108.9	G14 D15 N17 F18 D19 Y20 T62 Y64	G14-R69 PolarHBondContact O-NH1 2.89Å; G14-R69 VanDerWaalsContact O-NH1 3.12Å; D15-R69 IonicContact OD1-CZ 3.88Å; D15-R69 IonicContact OD1-NH2 2.78Å; D15-R69 PolarHBondContact OD1-NH2 3.35Å; N17-R69 VanDerWaalsContact O-CD 3.24Å; N17-R69 WeakPolarHBondContact O-CD 3.4Å; N17-R69 PolarHBondContact O-NH1 2.91Å; F18-R69 HydrophobicContact CB-CG 4.37Å; D19-R69 PolarHBondContact N-O 2.99Å; D19-R69 PolarHBondContact OD2-N 3.27Å; Y20-R69 PolarHBondContact N-O 2.8Å; T62-R69 HydrophobicContact CG2-CG 3.38Å; T62-R69 VanDerWaalsContact CG2-NE 3.31Å; Y64-R69 HydrophobicContact CD1-CB 4.2Å; Y64-R69 HydrophobicContact CD1-CG 4.47Å; Y64-R69 HydrophobicContact CE1-CB 3.89Å; Y64-R69 HydrophobicContact CE1-CG 3.9Å
70	I	96.1	Very high	89.5	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	123	-178.1	-51.9	178.2	0	0	0	109	Y20 F22 T62 V63 K65 L72 V179	Y20-I70 HydrophobicContact CD2-CG1 4.3Å; Y20-I70 CarbonylContact O-C 3.59Å; Y20-I70 WeakPolarHBondContact O-CA 3.47Å; F22-I70 HydrophobicContact CD1-CG2 4.2Å; F22-I70 HydrophobicContact CD2-CG2 3.69Å; F22-I70 HydrophobicContact CE1-CG2 4.24Å; F22-I70 HydrophobicContact CE2-CD1 4.07Å; F22-I70 HydrophobicContact CE2-CG2 3.77Å; F22-I70 HydrophobicContact CG-CG2 3.9Å; F22-I70 HydrophobicContact CZ-CD1 4.16Å; F22-I70 HydrophobicContact CZ-CG2 4.01Å; T62-I70 WeakPolarHBondContact CA-O 3.27Å; V63-I70 HydrophobicContact CG2-CB 3.89Å; V63-I70 HydrophobicContact CG2-CG2 4.41Å; V63-I70 PolarHBondContact N-O 3.46Å; V63-I70 PolarHBondContact O-N 2.98Å; K65-I70 HydrophobicContact CB-CD1 3.94Å; I70-L72 HydrophobicContact CG2-CD2 3.83Å; I70-V179 HydrophobicContact CD1-CG1 4.1Å
71	K	96.2	Very high	88	Confident	29 Å²	29	53.1 Å²	53.1	13%	0.126	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	116.2	170.7	-78.3	-170.8	178.4	-177.3	0	110.5	D15 F18 Y20 M21 F22	D15-K71 WeakPolarHBondContact O-CE 3.31Å; D15-K71 PolarHBondContact O-NZ 2.82Å; F18-K71 HydrophobicContact CB-CD 4.09Å; F18-K71 HydrophobicContact CB-CG 3.87Å; F18-K71 HydrophobicContact CD1-CD 3.49Å; F18-K71 VanDerWaalsContact CD1-CD 3.49Å; F18-K71 HydrophobicContact CD1-CG 4.23Å; F18-K71 HydrophobicContact CD2-CD 4.27Å; F18-K71 HydrophobicContact CD2-CG 4.4Å; F18-K71 HydrophobicContact CE1-CD 3.95Å; F18-K71 HydrophobicContact CG-CB 4.48Å; F18-K71 HydrophobicContact CG-CD 3.67Å; F18-K71 HydrophobicContact CG-CG 3.9Å; Y20-K71 PolarHBondContact O-N 3.09Å; M21-K71 CarbonylContact C-O 3.52Å; M21-K71 VanDerWaalsContact CA-O 3.28Å; M21-K71 WeakPolarHBondContact CA-O 3.44Å; M21-K71 HydrophobicContact CE-CD 4.32Å; F22-K71 PolarHBondContact N-O 3.29Å
72	L	96.9	Very high	86.5	Confident	0 Å²	0	58 Å²	58	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	122	171.9	-49.3	-177.2	0	0	0	109	F22 L24 Y41 V60 K61 V63 I70 I74 V179	F22-L72 HydrophobicContact CB-CD2 3.99Å; F22-L72 HydrophobicContact CD2-CD2 4.01Å; F22-L72 HydrophobicContact CG-CD2 4.37Å; L24-L72 HydrophobicContact CD1-CB 4.34Å; L24-L72 HydrophobicContact CD1-CD1 4.33Å; L24-L72 HydrophobicContact CD1-CD2 4.25Å; Y41-L72 HydrophobicContact CE1-CD1 4.4Å; V60-L72 VanDerWaalsContact CA-O 3.27Å; V60-L72 WeakPolarHBondContact CA-O 3.46Å; K61-L72 PolarHBondContact N-O 3.02Å; K61-L72 WeakPolarHBondContact O-CA 3.45Å; K61-L72 WeakPolarHBondContact O-CB 3.44Å; K61-L72 PolarHBondContact O-N 3.06Å; V63-L72 HydrophobicContact CG1-CD1 3.72Å; V63-L72 HydrophobicContact CG1-CG 4.3Å; V63-L72 HydrophobicContact CG2-CD1 4.03Å; V63-L72 HydrophobicContact CG2-CD2 4.12Å; V63-L72 HydrophobicContact CG2-CG 4.02Å; I70-L72 HydrophobicContact CG2-CD2 3.83Å; L72-I74 HydrophobicContact CB-CD1 4.19Å; L72-I74 HydrophobicContact CB-CG1 3.98Å; L72-V179 HydrophobicContact CD1-CG2 3.95Å; L72-V179 HydrophobicContact CD2-CG2 3.62Å; L72-V179 HydrophobicContact CG-CG2 4.44Å
73	Q	96.2	Very high	85.1	Confident	50 Å²	50	58.8 Å²	58.8	23%	0.234	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	98.2	171.5	-82.1	-163.7	-26.7	0	0	107.8	M21 F22 L24 F58	M21-Q73 HydrophobicContact CG-CG 4.05Å; M21-Q73 HydrophobicContact SD-CG 4.1Å; M21-Q73 PolarHBondContact SD-NE2 2.79Å; M21-Q73 VanDerWaalsContact SD-NE2 3.44Å; F22-Q73 PolarHBondContact O-N 2.8Å; L24-Q73 PolarHBondContact N-O 2.98Å; F58-Q73 HydrophobicContact CE2-CB 3.66Å; F58-Q73 HydrophobicContact CE2-CG 3.76Å; F58-Q73 HydrophobicContact CZ-CB 4.2Å; F58-Q73 HydrophobicContact CZ-CG 3.78Å
74	I	96.1	Very high	83.8	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	118.4	-169.9	-46.6	168.9	0	0	0	109	L24 I26 L38 Y41 F58 K59 L72 F175	L24-I74 HydrophobicContact CB-CG1 4.48Å; L24-I74 HydrophobicContact CD1-CG1 4.37Å; L24-I74 WeakPolarHBondContact O-CA 3.48Å; I26-I74 HydrophobicContact CD1-CG2 4.03Å; I26-I74 HydrophobicContact CG1-CG2 4.07Å; L38-I74 HydrophobicContact CD1-CB 3.93Å; L38-I74 HydrophobicContact CD1-CD1 4.02Å; L38-I74 HydrophobicContact CD1-CG2 3.64Å; Y41-I74 HydrophobicContact CD1-CD1 3.82Å; Y41-I74 HydrophobicContact CE1-CD1 3.64Å; F58-I74 WeakPolarHBondContact CA-O 3.29Å; K59-I74 PolarHBondContact N-O 2.73Å; K59-I74 PolarHBondContact O-N 3.07Å; L72-I74 HydrophobicContact CB-CD1 4.19Å; L72-I74 HydrophobicContact CB-CG1 3.98Å; I74-F175 HydrophobicContact CD1-CD1 4.26Å; I74-F175 HydrophobicContact CD1-CE1 3.82Å; I74-F175 HydrophobicContact CG1-CE1 4.42Å; I74-F175 HydrophobicContact CG2-CE1 4.01Å; I74-F175 HydrophobicContact CG2-CZ 4.49Å
75	W	94.1	Very high	82.6	Confident	54 Å²	54	58.4 Å²	58.4	21%	0.205	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	116.6	-179	-62.9	81.7	0	0	0	109.2	L24 L25 I26 I56 D57 F58 Y90	L24-W75 PolarHBondContact O-N 2.82Å; L25-W75 HydrophobicContact CD1-CB 4.22Å; L25-W75 HydrophobicContact CD1-CG 4.27Å; L25-W75 HydrophobicContact CG-CB 3.99Å; I26-W75 PolarHBondContact N-O 3.02Å; I56-W75 HydrophobicContact CG2-CE3 3.6Å; I56-W75 HydrophobicContact CG2-CZ3 4.22Å; D57-W75 WeakPolarHBondContact O-CA 3.49Å; F58-W75 HydrophobicContact CB-CE3 4.25Å; F58-W75 HydrophobicContact CB-CZ3 4.35Å; F58-W75 AromaticContact CD2-CD2 3.82Å; F58-W75 HydrophobicContact CD2-CD2 3.82Å; F58-W75 AromaticContact CD2-CE2 3.61Å; F58-W75 HydrophobicContact CD2-CE3 4.2Å; F58-W75 HydrophobicContact CD2-CG 4.27Å; F58-W75 HydrophobicContact CD2-CH2 4.28Å; F58-W75 AromaticContact CD2-CZ2 3.88Å; F58-W75 HydrophobicContact CD2-CZ2 3.88Å; F58-W75 HydrophobicContact CD2-CZ3 4.41Å; F58-W75 AromaticContact CD2-NE1 3.87Å; F58-W75 AromaticContact CE2-CE2 3.94Å; F58-W75 HydrophobicContact CE2-CZ2 4.08Å; F58-W75 AromaticContact CE2-NE1 3.92Å; W75-Y90 HydrophobicContact CD2-CD1 4.26Å; W75-Y90 AromaticContact CE3-CD1 3.75Å; W75-Y90 HydrophobicContact CE3-CD1 3.75Å; W75-Y90 AromaticContact CE3-CE1 3.89Å; W75-Y90 HydrophobicContact CE3-CE1 3.89Å; W75-Y90 HydrophobicContact CH2-CD1 4.21Å; W75-Y90 HydrophobicContact CH2-CE1 4.02Å; W75-Y90 AromaticContact CZ3-CD1 3.72Å; W75-Y90 HydrophobicContact CZ3-CD1 3.72Å; W75-Y90 AromaticContact CZ3-CE1 3.45Å; W75-Y90 HydrophobicContact CZ3-CE1 3.45Å; W75-Y90 VanDerWaalsContact CZ3-CE1 3.45Å
76	D	91.3	Very high	81.7	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	130.6	171	179.7	43.2	0	0	0	109.7	K34 T35 L38 I56 D57	K34-D76 WeakPolarHBondContact CB-OD1 3.45Å; T35-D76 WeakPolarHBondContact CA-OD2 3.19Å; T35-D76 VanDerWaalsContact CB-OD2 3.25Å; T35-D76 WeakPolarHBondContact CB-OD2 3.4Å; T35-D76 WeakPolarHBondContact CG2-OD2 3.4Å; T35-D76 PolarHBondContact N-OD1 3.05Å; T35-D76 PolarHBondContact OG1-OD1 3.06Å; T35-D76 PolarHBondContact OG1-OD2 3.18Å; L38-D76 HydrophobicContact CD2-CB 3.67Å; I56-D76 CarbonylContact C-O 3.58Å; I56-D76 VanDerWaalsContact CA-O 3.29Å; I56-D76 WeakPolarHBondContact CA-O 3.49Å; I56-D76 WeakPolarHBondContact CG2-O 3.26Å; D57-D76 HydrophobicContact CB-CB 4.41Å; D57-D76 PolarHBondContact N-O 3.47Å; D57-D76 PolarHBondContact O-N 3.37Å
77	T	85.8	Confident	81.2	Confident	2 Å²	2	54 Å²	54	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	140.2	-172.4	62.8	0	0	0	0	111.4	I26 I27 K34 I56 G79 T87	I26-T77 PolarHBondContact O-OG1 3.39Å; I27-T77 HydrophobicContact CG2-CG2 4.38Å; K34-T77 WeakPolarHBondContact CE-O 3.46Å; I56-T77 HydrophobicContact CG1-CG2 4.4Å; T77-G79 PolarHBondContact O-N 3.27Å; T77-T87 HydrophobicContact CG2-CG2 3.9Å
78	A	76.6	Confident	81	Confident	3 Å²	3	47.4 Å²	47.4	3%	0.025	22%	0.219	C	C	.	.			trans	-61.3	123.9	165.6	0	0	0	0	0	109.5	T53 G55 Q80 Y83	T53-A78 WeakPolarHBondContact O-CB 3.5Å; G55-A78 WeakPolarHBondContact O-CB 3.37Å; G55-A78 PolarHBondContact O-N 2.87Å; A78-Q80 PolarHBondContact O-N 3.42Å; A78-Y83 HydrophobicContact CB-CD2 3.74Å; A78-Y83 HydrophobicContact CB-CE2 4.48Å; A78-Y83 HydrophobicContact CB-CG 4.3Å
79	G	64.5	Low	80.6	Confident	9 Å²	9	47 Å²	47	9%	0.093	23%	0.231	C	C	.	.			trans	-80	8.7	177.4	0	0	0	0	0	114.3	G28 N29 S30 K34 T77	G28-G79 WeakPolarHBondContact O-CA 3.27Å; N29-G79 CarbonylContact C-O 3.55Å; S30-G79 PolarHBondContact N-O 3.3Å; K34-G79 VanDerWaalsContact NZ-CA 3.29Å; T77-G79 PolarHBondContact O-N 3.27Å
80	Q	67.1	Low	80.3	Confident	61 Å²	61	48.9 Å²	48.9	29%	0.285	24%	0.238	S	C	.	.			trans	-77.8	132.1	-179.6	-142.6	-179.7	22	0	0	109.8	A78 R82 Y83	A78-Q80 PolarHBondContact O-N 3.42Å; Q80-R82 PolarHBondContact O-N 3.17Å; Q80-R82 VanDerWaalsContact O-N 3.1Å; Q80-Y83 HydrophobicContact CB-CD2 3.65Å; Q80-Y83 HydrophobicContact CB-CE2 4.11Å; Q80-Y83 PolarHBondContact O-N 3.45Å
81	E	63.1	Low	80	Confident	130 Å²	130	48.8 Å²	48.8	61%	0.607	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-52.2	-33.5	179	64.2	-65.8	151.5	0	0	112.9	Y83 R84	E81-Y83 PolarHBondContact O-N 2.86Å; E81-R84 WeakPolarHBondContact O-CB 3.3Å; E81-R84 PolarHBondContact O-N 3.4Å
82	R	62.8	Low	79.6	Confident	169 Å²	169	57.6 Å²	57.6	64%	0.638	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-62.3	-22.8	174.5	-61	-172.7	-62.6	171.2	2.6	114	Q80	Q80-R82 PolarHBondContact O-N 3.17Å; Q80-R82 VanDerWaalsContact O-N 3.1Å
83	Y	64.4	Low	79.3	Confident	63 Å²	63	59.6 Å²	59.6	25%	0.247	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-103.5	4.2	-179.3	-58.6	-60.6	0	0	0	113.4	A78 Q80 E81 T85 I86 T87	A78-Y83 HydrophobicContact CB-CD2 3.74Å; A78-Y83 HydrophobicContact CB-CE2 4.48Å; A78-Y83 HydrophobicContact CB-CG 4.3Å; Q80-Y83 HydrophobicContact CB-CD2 3.65Å; Q80-Y83 HydrophobicContact CB-CE2 4.11Å; Q80-Y83 PolarHBondContact O-N 3.45Å; E81-Y83 PolarHBondContact O-N 2.86Å; Y83-T85 VanDerWaalsContact C-N 3.32Å; Y83-T85 PolarHBondContact O-N 3.39Å; Y83-I86 HydrophobicContact CD1-CD1 4.02Å; Y83-I86 PolarHBondContact O-N 3.05Å; Y83-I86 VanDerWaalsContact O-N 3.07Å; Y83-T87 PolarHBondContact O-N 3.36Å; Y83-T87 PolarHBondContact O-OG1 3.01Å
84	R	67.8	Low	79.2	Confident	70 Å²	70	57.2 Å²	57.2	26%	0.264	28%	0.28	S	S	.	.	H	α-helix	trans	-59.4	-39.9	-176.9	-163.5	171.3	-175.6	-164.4	-6.2	112.7	E81 I86 T87 T88 W115 Q118	E81-R84 WeakPolarHBondContact O-CB 3.3Å; E81-R84 PolarHBondContact O-N 3.4Å; R84-I86 PolarHBondContact O-N 3.15Å; R84-T87 WeakPolarHBondContact O-CB 3.11Å; R84-T87 PolarHBondContact O-N 3.19Å; R84-T88 PolarHBondContact O-N 3.34Å; R84-W115 HydrophobicContact CG-CH2 3.95Å; R84-W115 HydrophobicContact CG-CZ3 4.06Å; R84-Q118 VanDerWaalsContact CZ-CD 3.45Å; R84-Q118 VanDerWaalsContact NH2-OE1 3.17Å
85	T	66.6	Low	79.2	Confident	118 Å²	118	59.1 Å²	59.1	72%	0.724	29%	0.289	S	S	*	.	H	α-helix	trans	-66.2	-34.9	175.7	-50.8	0	0	0	0	113	Y83 T87 T88	Y83-T85 VanDerWaalsContact C-N 3.32Å; Y83-T85 PolarHBondContact O-N 3.39Å; T85-T87 VanDerWaalsContact C-N 3.34Å; T85-T88 PolarHBondContact O-OG1 3.29Å
86	I	69.6	Low	79.3	Confident	87 Å²	87	56.5 Å²	56.5	45%	0.446	28%	0.279	S	S	.	.	H	α-helix	trans	-70.4	-38.9	176	-70	162.2	0	0	0	109.4	I56 Y83 R84 T88 A89 Y90	I56-I86 HydrophobicContact CD1-CG2 4.16Å; Y83-I86 HydrophobicContact CD1-CD1 4.02Å; Y83-I86 PolarHBondContact O-N 3.05Å; Y83-I86 VanDerWaalsContact O-N 3.07Å; R84-I86 PolarHBondContact O-N 3.15Å; I86-T88 PolarHBondContact O-N 2.9Å; I86-A89 WeakPolarHBondContact O-CB 3.44Å; I86-A89 PolarHBondContact O-N 3.2Å; I86-Y90 HydrophobicContact CG2-CE2 4.08Å; I86-Y90 VanDerWaalsContact O-CD2 3.22Å; I86-Y90 WeakPolarHBondContact O-CD2 3.49Å
87	T	77.7	Confident	79.6	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.006	28%	0.279	C	S	.	.	H	α-helix	trans	-60.7	-43.4	-179.5	-58.4	0	0	0	0	112.2	I27 T77 Y83 R84 T85 A89 Y90 Y91	I27-T87 HydrophobicContact CG2-CG2 4.4Å; T77-T87 HydrophobicContact CG2-CG2 3.9Å; Y83-T87 PolarHBondContact O-N 3.36Å; Y83-T87 PolarHBondContact O-OG1 3.01Å; R84-T87 WeakPolarHBondContact O-CB 3.11Å; R84-T87 PolarHBondContact O-N 3.19Å; T85-T87 VanDerWaalsContact C-N 3.34Å; T87-A89 VanDerWaalsContact C-N 3.25Å; T87-A89 PolarHBondContact O-N 3.36Å; T87-Y90 PolarHBondContact O-N 2.85Å; T87-Y91 HydrophobicContact CG2-CE1 3.69Å; T87-Y91 VanDerWaalsContact O-CD1 3.26Å; T87-Y91 WeakPolarHBondContact O-CD1 3.45Å; T87-Y91 WeakPolarHBondContact O-CE1 3.32Å
88	T	81.8	Confident	80.2	Confident	28 Å²	28	56.5 Å²	56.5	17%	0.172	28%	0.279	C	S	.	.	H	α-helix	trans	-64.9	-26.4	-179.9	55.5	0	0	0	0	113.4	R84 T85 I86 Y90 Y91 Y122	R84-T88 PolarHBondContact O-N 3.34Å; T85-T88 PolarHBondContact O-OG1 3.29Å; I86-T88 PolarHBondContact O-N 2.9Å; T88-Y90 PolarHBondContact O-N 3.32Å; T88-Y91 HydrophobicContact CG2-CE2 4.31Å; T88-Y91 WeakPolarHBondContact O-CB 3.39Å; T88-Y91 PolarHBondContact O-N 3.2Å; T88-Y91 VanDerWaalsContact O-N 3.1Å; T88-Y122 HydrophobicContact CG2-CD2 3.78Å; T88-Y122 HydrophobicContact CG2-CE2 4.06Å; T88-Y122 HydrophobicContact CG2-CG 4.49Å
89	A	83.9	Confident	81.2	Confident	73 Å²	73	56.3 Å²	56.3	60%	0.603	28%	0.278	S	S	*	.	H	α-helix	trans	-61.1	-25.1	174.1	0	0	0	0	0	112.8	I86 T87	I86-A89 WeakPolarHBondContact O-CB 3.44Å; I86-A89 PolarHBondContact O-N 3.2Å; T87-A89 VanDerWaalsContact C-N 3.25Å; T87-A89 PolarHBondContact O-N 3.36Å
90	Y	87.1	Confident	82.8	Confident	78 Å²	78	56 Å²	56	31%	0.306	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-8.7	179.4	-68.1	-98.8	0	0	0	113.3	K23 I56 W75 I86 T87 T88 R92	K23-Y90 WeakPolarHBondContact CE-O 3.47Å; K23-Y90 PolarHBondContact NZ-O 3.05Å; I56-Y90 HydrophobicContact CD1-CD1 4.4Å; I56-Y90 HydrophobicContact CD1-CD2 3.29Å; I56-Y90 HydrophobicContact CD1-CE1 4.32Å; I56-Y90 HydrophobicContact CD1-CE2 3.21Å; I56-Y90 HydrophobicContact CD1-CG 3.92Å; W75-Y90 HydrophobicContact CD2-CD1 4.26Å; W75-Y90 AromaticContact CE3-CD1 3.75Å; W75-Y90 HydrophobicContact CE3-CD1 3.75Å; W75-Y90 AromaticContact CE3-CE1 3.89Å; W75-Y90 HydrophobicContact CE3-CE1 3.89Å; W75-Y90 HydrophobicContact CH2-CD1 4.21Å; W75-Y90 HydrophobicContact CH2-CE1 4.02Å; W75-Y90 AromaticContact CZ3-CD1 3.72Å; W75-Y90 HydrophobicContact CZ3-CD1 3.72Å; W75-Y90 AromaticContact CZ3-CE1 3.45Å; W75-Y90 HydrophobicContact CZ3-CE1 3.45Å; W75-Y90 VanDerWaalsContact CZ3-CE1 3.45Å; I86-Y90 HydrophobicContact CG2-CE2 4.08Å; I86-Y90 VanDerWaalsContact O-CD2 3.22Å; I86-Y90 WeakPolarHBondContact O-CD2 3.49Å; T87-Y90 PolarHBondContact O-N 2.85Å; T88-Y90 PolarHBondContact O-N 3.32Å; Y90-R92 PolarHBondContact O-N 3.2Å
91	Y	90.6	Very high	84.3	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.26	C	S	.	.			trans	-69.3	-26.6	-177.7	-72	18.4	0	0	0	111.6	L25 I27 T87 T88 G93 A94 F97 Q118 I119	L25-Y91 HydrophobicContact CD2-CD1 3.51Å; L25-Y91 HydrophobicContact CD2-CE1 3.9Å; I27-Y91 HydrophobicContact CG2-CE1 4.08Å; T87-Y91 HydrophobicContact CG2-CE1 3.69Å; T87-Y91 VanDerWaalsContact O-CD1 3.26Å; T87-Y91 WeakPolarHBondContact O-CD1 3.45Å; T87-Y91 WeakPolarHBondContact O-CE1 3.32Å; T88-Y91 HydrophobicContact CG2-CE2 4.31Å; T88-Y91 WeakPolarHBondContact O-CB 3.39Å; T88-Y91 PolarHBondContact O-N 3.2Å; T88-Y91 VanDerWaalsContact O-N 3.1Å; Y91-G93 PolarHBondContact O-N 3.1Å; Y91-A94 WeakPolarHBondContact O-CB 3.47Å; Y91-A94 PolarHBondContact O-N 2.97Å; Y91-F97 AromaticContact CD1-CE1 3.85Å; Y91-F97 HydrophobicContact CD1-CE1 3.85Å; Y91-F97 HydrophobicContact CD1-CZ 4.36Å; Y91-F97 HydrophobicContact CD2-CE1 4.14Å; Y91-F97 HydrophobicContact CD2-CZ 4.26Å; Y91-F97 HydrophobicContact CE1-CE1 4.04Å; Y91-F97 HydrophobicContact CE2-CE1 4.35Å; Y91-F97 AromaticContact CG-CE1 3.9Å; Y91-F97 HydrophobicContact CG-CE1 3.9Å; Y91-F97 HydrophobicContact CG-CZ 4.01Å; Y91-Q118 HydrophobicContact CE2-CB 4.08Å; Y91-I119 HydrophobicContact CE2-CG1 4.17Å
92	R	88.4	Confident	86	Confident	213 Å²	213	47.1 Å²	47.1	80%	0.804	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	124.6	177.1	-172.8	176.7	176.5	86.4	1	110.8	K23 Y90 A94	K23-R92 PolarHBondContact NZ-O 3.17Å; Y90-R92 PolarHBondContact O-N 3.2Å; R92-A94 PolarHBondContact O-N 3.44Å
93	G	89.6	Confident	87.7	Confident	42 Å²	42	39 Å²	39	43%	0.433	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	6.5	-179	0	0	0	0	0	114.6	Y91 M95	Y91-G93 PolarHBondContact O-N 3.1Å; G93-M95 PolarHBondContact O-N 2.97Å
94	A	94.5	Very high	89.3	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.2	C	C	.	.			trans	-66.7	128.3	167.8	0	0	0	0	0	109.3	L25 Y91 R92 F97	L25-A94 HydrophobicContact CD1-CB 3.6Å; Y91-A94 WeakPolarHBondContact O-CB 3.47Å; Y91-A94 PolarHBondContact O-N 2.97Å; R92-A94 PolarHBondContact O-N 3.44Å; A94-F97 HydrophobicContact CB-CE1 4.17Å; A94-F97 HydrophobicContact CB-CE2 3.63Å; A94-F97 HydrophobicContact CB-CZ 3.42Å; A94-F97 VanDerWaalsContact CB-CZ 3.42Å
95	M	95.9	Very high	90.7	Very high	40 Å²	40	36.7 Å²	36.7	20%	0.197	20%	0.2	C	C	.	.			trans	-94.1	-26.3	178.1	-60.4	177.7	76.8	0	0	111.3	F22 K23 G93 A127 Q128 I182 M186	F22-M95 HydrophobicContact CB-SD 4.3Å; F22-M95 HydrophobicContact CD1-CE 3.77Å; F22-M95 HydrophobicContact CD1-SD 3.66Å; F22-M95 HydrophobicContact CE1-CE 3.97Å; F22-M95 HydrophobicContact CE1-SD 4.44Å; F22-M95 HydrophobicContact CG-SD 4.27Å; K23-M95 PolarHBondContact O-N 3.22Å; G93-M95 PolarHBondContact O-N 2.97Å; M95-A127 WeakPolarHBondContact O-CA 3.25Å; M95-Q128 PolarHBondContact O-N 3.33Å; M95-I182 HydrophobicContact CB-CD1 4.12Å; M95-I182 HydrophobicContact CB-CG1 4.47Å; M95-I182 HydrophobicContact CB-CG2 4.21Å; M95-I182 HydrophobicContact CE-CG2 3.68Å; M95-M186 HydrophobicContact CE-CG 4.3Å; M95-M186 HydrophobicContact CE-SD 3.62Å
96	G	97.1	Very high	92.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	148.1	-179.2	0	0	0	0	0	113.3	K23 L24 L25 Q128	K23-G96 PolarHBondContact O-N 3.24Å; L24-G96 VanDerWaalsContact CA-O 3.31Å; L24-G96 WeakPolarHBondContact CA-O 3.41Å; L25-G96 PolarHBondContact N-O 2.86Å; G96-Q128 CarbonylContact C-O 3.56Å; G96-Q128 VanDerWaalsContact CA-O 3.23Å; G96-Q128 WeakPolarHBondContact CA-O 3.31Å
97	F	97.6	Very high	93.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	135.5	174.8	-65.9	-97	0	0	0	110.3	L25 I27 Y91 A94 I119 A127 Q128 V129 V130	L25-F97 HydrophobicContact CB-CD1 3.82Å; L25-F97 HydrophobicContact CB-CE1 3.97Å; L25-F97 HydrophobicContact CD2-CD1 4.48Å; L25-F97 HydrophobicContact CD2-CE1 3.81Å; L25-F97 HydrophobicContact CG-CE1 4.4Å; L25-F97 CarbonylContact O-C 3.59Å; L25-F97 WeakPolarHBondContact O-CA 3.25Å; I27-F97 HydrophobicContact CD1-CD1 4.28Å; I27-F97 HydrophobicContact CG2-CD1 4.43Å; Y91-F97 AromaticContact CD1-CE1 3.85Å; Y91-F97 HydrophobicContact CD1-CE1 3.85Å; Y91-F97 HydrophobicContact CD1-CZ 4.36Å; Y91-F97 HydrophobicContact CD2-CE1 4.14Å; Y91-F97 HydrophobicContact CD2-CZ 4.26Å; Y91-F97 HydrophobicContact CE1-CE1 4.04Å; Y91-F97 HydrophobicContact CE2-CE1 4.35Å; Y91-F97 AromaticContact CG-CE1 3.9Å; Y91-F97 HydrophobicContact CG-CE1 3.9Å; Y91-F97 HydrophobicContact CG-CZ 4.01Å; A94-F97 HydrophobicContact CB-CE1 4.17Å; A94-F97 HydrophobicContact CB-CE2 3.63Å; A94-F97 HydrophobicContact CB-CZ 3.42Å; A94-F97 VanDerWaalsContact CB-CZ 3.42Å; F97-I119 HydrophobicContact CB-CD1 4.02Å; F97-I119 HydrophobicContact CD1-CD1 4.15Å; F97-I119 HydrophobicContact CD1-CG1 3.96Å; F97-I119 HydrophobicContact CD2-CG2 3.9Å; F97-I119 HydrophobicContact CE1-CG1 4.15Å; F97-I119 HydrophobicContact CE2-CG2 3.88Å; F97-I119 HydrophobicContact CG-CD1 4.03Å; F97-I119 HydrophobicContact CG-CG1 4.15Å; F97-I119 HydrophobicContact CG-CG2 4.33Å; F97-I119 HydrophobicContact CZ-CG2 4.28Å; F97-A127 HydrophobicContact CD2-CB 4.01Å; F97-A127 HydrophobicContact CE2-CB 3.69Å; F97-Q128 PolarHBondContact N-O 3.28Å; F97-V129 HydrophobicContact CB-CG1 4.24Å; F97-V129 HydrophobicContact CB-CG2 4.24Å; F97-V129 HydrophobicContact CD2-CG2 4.48Å; F97-V129 WeakPolarHBondContact O-CA 3.44Å; F97-V130 PolarHBondContact O-N 2.88Å
98	I	98.2	Very high	94.4	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	106.4	161.7	-59.3	177.1	0	0	0	106	L25 I26 I27 F37 M100 A132 T174 F175 L178	L25-I98 PolarHBondContact O-N 3.47Å; I26-I98 WeakPolarHBondContact CA-O 3.3Å; I26-I98 HydrophobicContact CG1-CB 4.41Å; I26-I98 HydrophobicContact CG1-CD1 4.49Å; I26-I98 HydrophobicContact CG2-CB 4.27Å; I26-I98 HydrophobicContact CG2-CG2 4.32Å; I27-I98 PolarHBondContact N-O 3.44Å; F37-I98 HydrophobicContact CE1-CD1 4.14Å; I98-M100 HydrophobicContact CG2-CE 4.39Å; I98-A132 HydrophobicContact CG2-CB 4.08Å; I98-T174 HydrophobicContact CD1-CG2 4.01Å; I98-T174 HydrophobicContact CG1-CG2 4.3Å; I98-T174 HydrophobicContact CG2-CG2 4.17Å; I98-F175 HydrophobicContact CD1-CD1 3.71Å; I98-F175 HydrophobicContact CD1-CD2 4.36Å; I98-F175 HydrophobicContact CD1-CE1 3.4Å; I98-F175 VanDerWaalsContact CD1-CE1 3.4Å; I98-F175 HydrophobicContact CD1-CE2 4.11Å; I98-F175 HydrophobicContact CD1-CG 4.17Å; I98-F175 HydrophobicContact CD1-CZ 3.63Å; I98-L178 HydrophobicContact CD1-CD2 4.28Å; I98-L178 HydrophobicContact CG1-CD2 3.65Å
99	L	97.6	Very high	95.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	115.9	175.6	175.2	51.4	0	0	0	108.4	I27 V112 W115 V129 V130 L131 A132 F158	I27-L99 HydrophobicContact CD1-CD1 4.05Å; I27-L99 HydrophobicContact CG1-CB 4.37Å; I27-L99 HydrophobicContact CG1-CD1 3.88Å; L99-V112 HydrophobicContact CD2-CG1 3.75Å; L99-V112 HydrophobicContact CG-CG1 4.31Å; L99-W115 HydrophobicContact CD1-CB 3.43Å; L99-W115 VanDerWaalsContact CD1-CB 3.43Å; L99-W115 HydrophobicContact CD1-CG 3.85Å; L99-W115 HydrophobicContact CD2-CB 4.09Å; L99-W115 HydrophobicContact CG-CB 4.44Å; L99-V129 HydrophobicContact CB-CG1 4.17Å; L99-V130 PolarHBondContact N-O 3.03Å; L99-L131 HydrophobicContact CB-CD1 4.37Å; L99-L131 HydrophobicContact CD2-CD1 4.33Å; L99-L131 HydrophobicContact CG-CD1 3.98Å; L99-L131 CarbonylContact O-C 3.45Å; L99-L131 WeakPolarHBondContact O-CA 3.31Å; L99-A132 PolarHBondContact O-N 2.71Å; L99-F158 HydrophobicContact CD2-CE2 4.28Å
100	M	98.1	Very high	95.8	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	135	-170.5	-170.2	176	-73.9	0	0	112.2	I26 I27 G28 V32 K34 F37 I98 A132 N134	I26-M100 HydrophobicContact CG2-CE 4.35Å; I27-M100 PolarHBondContact O-N 3.49Å; G28-M100 WeakPolarHBondContact CA-O 3.31Å; V32-M100 HydrophobicContact CB-CG 4.37Å; V32-M100 HydrophobicContact CG2-CB 4.1Å; V32-M100 HydrophobicContact CG2-CG 3.92Å; V32-M100 HydrophobicContact CG2-SD 4.14Å; K34-M100 HydrophobicContact CG-CB 4.37Å; K34-M100 HydrophobicContact CG-SD 4.09Å; F37-M100 HydrophobicContact CB-CE 3.69Å; F37-M100 HydrophobicContact CB-SD 4.46Å; F37-M100 HydrophobicContact CD1-CE 3.64Å; F37-M100 HydrophobicContact CD2-CE 3.8Å; F37-M100 HydrophobicContact CE1-CE 4.14Å; F37-M100 HydrophobicContact CE2-CE 4.29Å; F37-M100 HydrophobicContact CG-CE 3.44Å; F37-M100 VanDerWaalsContact CG-CE 3.44Å; F37-M100 HydrophobicContact CZ-CE 4.45Å; I98-M100 HydrophobicContact CG2-CE 4.39Å; M100-A132 VanDerWaalsContact CA-O 3.31Å; M100-A132 WeakPolarHBondContact CA-O 3.29Å; M100-A132 HydrophobicContact CE-CB 4.39Å; M100-A132 HydrophobicContact CG-CB 4.47Å; M100-N134 HydrophobicContact CE-CB 4.45Å; M100-N134 HydrophobicContact CG-CB 3.85Å; M100-N134 HydrophobicContact SD-CB 3.8Å
101	Y	98.4	Very high	96.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	170.8	164.7	73.5	-86.7	0	0	0	110.1	I103 F109 V112 L131 A132 G133 N134 V144 G149 F160	Y101-I103 HydrophobicContact CE2-CG2 4.02Å; Y101-F109 HydrophobicContact CD1-CD2 4.1Å; Y101-F109 HydrophobicContact CD2-CB 3.91Å; Y101-F109 AromaticContact CD2-CD2 3.83Å; Y101-F109 HydrophobicContact CD2-CD2 3.83Å; Y101-F109 HydrophobicContact CD2-CG 4.33Å; Y101-F109 AromaticContact CE1-CD2 3.96Å; Y101-F109 HydrophobicContact CE1-CD2 3.96Å; Y101-F109 HydrophobicContact CE1-CE2 4.29Å; Y101-F109 HydrophobicContact CE2-CB 4.39Å; Y101-F109 AromaticContact CE2-CD2 3.7Å; Y101-F109 HydrophobicContact CE2-CD2 3.7Å; Y101-F109 HydrophobicContact CE2-CE2 4.45Å; Y101-F109 HydrophobicContact CE2-CG 4.4Å; Y101-F109 HydrophobicContact CG-CB 4.34Å; Y101-F109 HydrophobicContact CG-CD2 4.04Å; Y101-F109 AromaticContact CZ-CD2 3.76Å; Y101-V112 HydrophobicContact CD1-CG2 4.03Å; Y101-V112 HydrophobicContact CG-CG2 4.25Å; Y101-L131 HydrophobicContact CD1-CD1 3.98Å; Y101-L131 HydrophobicContact CD1-CG 4.36Å; Y101-L131 HydrophobicContact CE1-CD1 4.23Å; Y101-L131 HydrophobicContact CE1-CD2 4.22Å; Y101-L131 HydrophobicContact CE1-CG 4.11Å; Y101-A132 PolarHBondContact N-O 2.81Å; Y101-G133 VanDerWaalsContact CE1-CA 3.5Å; Y101-G133 VanDerWaalsContact CZ-CA 3.49Å; Y101-N134 PolarHBondContact O-N 2.86Å; Y101-V144 HydrophobicContact CE2-CB 4.13Å; Y101-V144 HydrophobicContact CE2-CG1 3.81Å; Y101-V144 HydrophobicContact CE2-CG2 4.43Å; Y101-G149 WeakPolarHBondContact OH-CA 3.37Å; Y101-F160 HydrophobicContact CE1-CE2 4.06Å; Y101-F160 WeakPolarHBondContact OH-CE2 3.46Å
102	D	98.3	Very high	96.5	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.027	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.9	177.5	177.3	0.6	0	0	0	109.7	V32 T104 N105 S108 K135	V32-D102 HydrophobicContact CB-CB 4.18Å; V32-D102 HydrophobicContact CG1-CB 4.1Å; D102-T104 PolarHBondContact O-N 3.38Å; D102-T104 PolarHBondContact OD1-N 3.41Å; D102-T104 PolarHBondContact OD1-OG1 3.17Å; D102-T104 VanDerWaalsContact OD1-OG1 3.06Å; D102-T104 PolarHBondContact OD2-OG1 3.37Å; D102-N105 HydrophobicContact CB-CB 4Å; D102-N105 PolarHBondContact O-N 3.01Å; D102-S108 PolarHBondContact N-OG 3.25Å; D102-S108 PolarHBondContact O-OG 2.6Å; D102-K135 WeakPolarHBondContact OD1-CD 3.47Å; D102-K135 WeakPolarHBondContact OD2-CD 3.25Å; D102-K135 WeakPolarHBondContact OD2-CE 3.42Å; D102-K135 IonicContact OD2-NZ 2.7Å; D102-K135 PolarHBondContact OD2-NZ 3.26Å
103	I	98.7	Very high	96.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-17.3	-177.1	66.3	150.8	0	0	0	113.5	Y101 N134 K135 C136 R142 V143 V144	Y101-I103 HydrophobicContact CE2-CG2 4.02Å; I103-N134 PolarHBondContact N-O 2.83Å; I103-N134 VanDerWaalsContact N-O 3.09Å; I103-K135 WeakPolarHBondContact CD1-O 3.49Å; I103-K135 WeakPolarHBondContact CG1-O 3.36Å; I103-C136 HydrophobicContact CD1-CB 4.41Å; I103-R142 HydrophobicContact CD1-CB 4.26Å; I103-R142 HydrophobicContact CD1-CG 4.22Å; I103-R142 VanDerWaalsContact CD1-CZ 3.42Å; I103-V143 PolarHBondContact O-N 3.46Å; I103-V144 PolarHBondContact O-N 2.87Å
104	T	98.4	Very high	97	Very high	33 Å²	33	34.8 Å²	34.8	20%	0.202	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	1.8	176.5	74.9	0	0	0	0	112.4	D102 M138 E141 V143	D102-T104 PolarHBondContact O-N 3.38Å; D102-T104 PolarHBondContact OD1-N 3.41Å; D102-T104 PolarHBondContact OD1-OG1 3.17Å; D102-T104 VanDerWaalsContact OD1-OG1 3.06Å; D102-T104 PolarHBondContact OD2-OG1 3.37Å; T104-M138 HydrophobicContact CG2-CB 3.66Å; T104-M138 HydrophobicContact CG2-SD 4.21Å; T104-E141 WeakPolarHBondContact CB-O 3.33Å; T104-E141 HydrophobicContact CG2-CB 3.73Å; T104-V143 VanDerWaalsContact C-CG2 3.45Å
105	N	97.8	Very high	96.9	Very high	50 Å²	50	35.3 Å²	35.3	27%	0.267	19%	0.188	S	C	.	.			trans	-132	101.6	-177.6	-174.4	-36.2	0	0	0	112	D102 E107 S108 F109	D102-N105 HydrophobicContact CB-CB 4Å; D102-N105 PolarHBondContact O-N 3.01Å; N105-E107 VanDerWaalsContact C-N 3.34Å; N105-E107 PolarHBondContact O-N 3.09Å; N105-E107 WeakPolarHBondContact OD1-CB 3.44Å; N105-E107 PolarHBondContact OD1-N 3.16Å; N105-S108 WeakPolarHBondContact O-CB 3.26Å; N105-S108 PolarHBondContact O-N 3.17Å; N105-S108 PolarHBondContact O-OG 3.27Å; N105-S108 PolarHBondContact OD1-N 3.25Å; N105-F109 PolarHBondContact O-N 2.96Å
106	E	97.2	Very high	96.8	Very high	143 Å²	143	33.5 Å²	33.5	67%	0.668	18%	0.179	S	C	*	.	H	α-helix	trans	-62.8	-34.9	-179.9	-170.5	173.9	-162.7	0	0	113.4	S108 F109 G110 V143	E106-S108 VanDerWaalsContact C-N 3.3Å; E106-S108 PolarHBondContact O-N 3.38Å; E106-F109 WeakPolarHBondContact O-CB 3.19Å; E106-F109 PolarHBondContact O-N 2.9Å; E106-F109 VanDerWaalsContact O-N 3.15Å; E106-G110 PolarHBondContact O-N 3.35Å; E106-V143 HydrophobicContact CB-CG2 4.08Å
107	E	96.4	Very high	96.6	Very high	150 Å²	150	37.4 Å²	37.4	70%	0.701	20%	0.203	S	C	*	.	H	α-helix	trans	-62.1	-40.3	176.6	-174.3	-171.3	170	0	0	111.1	N105 F109 G110 A111	N105-E107 VanDerWaalsContact C-N 3.34Å; N105-E107 PolarHBondContact O-N 3.09Å; N105-E107 WeakPolarHBondContact OD1-CB 3.44Å; N105-E107 PolarHBondContact OD1-N 3.16Å; E107-F109 VanDerWaalsContact C-N 3.27Å; E107-F109 PolarHBondContact O-N 3.38Å; E107-G110 PolarHBondContact O-N 2.86Å; E107-A111 PolarHBondContact O-N 3.37Å
108	S	97.3	Very high	96.3	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.014	21%	0.21	C	C	.	.	H	α-helix	trans	-63.9	-33.9	176.7	81.6	0	0	0	0	112.6	D102 N105 E106	D102-S108 PolarHBondContact N-OG 3.25Å; D102-S108 PolarHBondContact O-OG 2.6Å; N105-S108 WeakPolarHBondContact O-CB 3.26Å; N105-S108 PolarHBondContact O-N 3.17Å; N105-S108 PolarHBondContact O-OG 3.27Å; N105-S108 PolarHBondContact OD1-N 3.25Å; E106-S108 VanDerWaalsContact C-N 3.3Å; E106-S108 PolarHBondContact O-N 3.38Å
109	F	98.4	Very high	96	Very high	38 Å²	38	39 Å²	39	17%	0.167	21%	0.211	C	C	.	.	H	α-helix	trans	-72.8	-43.7	175.1	179.3	-109.9	0	0	0	111.7	Y101 N105 E106 E107 A111 V112 V144 L152	Y101-F109 HydrophobicContact CD1-CD2 4.1Å; Y101-F109 HydrophobicContact CD2-CB 3.91Å; Y101-F109 AromaticContact CD2-CD2 3.83Å; Y101-F109 HydrophobicContact CD2-CD2 3.83Å; Y101-F109 HydrophobicContact CD2-CG 4.33Å; Y101-F109 AromaticContact CE1-CD2 3.96Å; Y101-F109 HydrophobicContact CE1-CD2 3.96Å; Y101-F109 HydrophobicContact CE1-CE2 4.29Å; Y101-F109 HydrophobicContact CE2-CB 4.39Å; Y101-F109 AromaticContact CE2-CD2 3.7Å; Y101-F109 HydrophobicContact CE2-CD2 3.7Å; Y101-F109 HydrophobicContact CE2-CE2 4.45Å; Y101-F109 HydrophobicContact CE2-CG 4.4Å; Y101-F109 HydrophobicContact CG-CB 4.34Å; Y101-F109 HydrophobicContact CG-CD2 4.04Å; Y101-F109 AromaticContact CZ-CD2 3.76Å; N105-F109 PolarHBondContact O-N 2.96Å; E106-F109 WeakPolarHBondContact O-CB 3.19Å; E106-F109 PolarHBondContact O-N 2.9Å; E106-F109 VanDerWaalsContact O-N 3.15Å; E107-F109 VanDerWaalsContact C-N 3.27Å; E107-F109 PolarHBondContact O-N 3.38Å; F109-A111 PolarHBondContact O-N 3.13Å; F109-V112 VanDerWaalsContact O-CB 3.25Å; F109-V112 WeakPolarHBondContact O-CB 3.43Å; F109-V112 VanDerWaalsContact O-CG2 3.28Å; F109-V112 WeakPolarHBondContact O-CG2 3.29Å; F109-V112 PolarHBondContact O-N 2.66Å; F109-V112 VanDerWaalsContact O-N 3.08Å; F109-V144 HydrophobicContact CB-CG1 4.42Å; F109-V144 HydrophobicContact CB-CG2 3.79Å; F109-V144 HydrophobicContact CD1-CG1 4.06Å; F109-V144 HydrophobicContact CD1-CG2 4.36Å; F109-V144 HydrophobicContact CD2-CG1 3.81Å; F109-V144 HydrophobicContact CE1-CG1 4.25Å; F109-V144 HydrophobicContact CE2-CG1 4.01Å; F109-V144 HydrophobicContact CG-CG1 3.83Å; F109-V144 HydrophobicContact CG-CG2 4.05Å; F109-V144 HydrophobicContact CZ-CG1 4.22Å; F109-L152 HydrophobicContact CD2-CD2 4.1Å; F109-L152 HydrophobicContact CE1-CD2 4.37Å; F109-L152 HydrophobicContact CE2-CB 4.11Å; F109-L152 HydrophobicContact CE2-CD2 3.42Å; F109-L152 VanDerWaalsContact CE2-CD2 3.42Å; F109-L152 HydrophobicContact CE2-CG 4.4Å; F109-L152 HydrophobicContact CZ-CB 3.91Å; F109-L152 HydrophobicContact CZ-CD2 3.58Å; F109-L152 HydrophobicContact CZ-CG 4.38Å
110	G	96.9	Very high	95.7	Very high	51 Å²	51	45.3 Å²	45.3	53%	0.526	24%	0.238	S	C	.	.	H	α-helix	trans	-57.9	-35.4	174.6	0	0	0	0	0	113	E106 E107 V112	E106-G110 PolarHBondContact O-N 3.35Å; E107-G110 PolarHBondContact O-N 2.86Å; G110-V112 VanDerWaalsContact C-N 3.26Å; G110-V112 PolarHBondContact O-N 3.37Å
111	A	95.6	Very high	95.3	Very high	16 Å²	16	49.4 Å²	49.4	13%	0.132	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-12.6	178.3	0	0	0	0	0	114.6	N29 E107 F109 Q113 D114 W115	N29-A111 WeakPolarHBondContact OD1-CB 3.41Å; E107-A111 PolarHBondContact O-N 3.37Å; F109-A111 PolarHBondContact O-N 3.13Å; A111-Q113 VanDerWaalsContact C-N 3.27Å; A111-Q113 PolarHBondContact O-N 2.89Å; A111-D114 WeakPolarHBondContact O-CB 3.41Å; A111-D114 PolarHBondContact O-N 3.27Å; A111-D114 VanDerWaalsContact O-N 3.15Å; A111-W115 PolarHBondContact O-N 2.95Å
112	V	96.4	Very high	94.8	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-57.6	-39.1	-178.3	169.3	0	0	0	0	111.7	L99 Y101 F109 G110 D114 W115 S116 L131 L152 L156	L99-V112 HydrophobicContact CD2-CG1 3.75Å; L99-V112 HydrophobicContact CG-CG1 4.31Å; Y101-V112 HydrophobicContact CD1-CG2 4.03Å; Y101-V112 HydrophobicContact CG-CG2 4.25Å; F109-V112 VanDerWaalsContact O-CB 3.25Å; F109-V112 WeakPolarHBondContact O-CB 3.43Å; F109-V112 VanDerWaalsContact O-CG2 3.28Å; F109-V112 WeakPolarHBondContact O-CG2 3.29Å; F109-V112 PolarHBondContact O-N 2.66Å; F109-V112 VanDerWaalsContact O-N 3.08Å; G110-V112 VanDerWaalsContact C-N 3.26Å; G110-V112 PolarHBondContact O-N 3.37Å; V112-D114 PolarHBondContact O-N 3.08Å; V112-W115 PolarHBondContact O-N 3.08Å; V112-S116 WeakPolarHBondContact O-CB 3.42Å; V112-S116 PolarHBondContact O-N 3.46Å; V112-L131 HydrophobicContact CG1-CD1 3.62Å; V112-L131 HydrophobicContact CG2-CD1 4.11Å; V112-L152 HydrophobicContact CB-CD2 3.88Å; V112-L152 HydrophobicContact CG1-CD2 3.67Å; V112-L152 HydrophobicContact CG1-CG 4.41Å; V112-L156 HydrophobicContact CG1-CD1 3.91Å
113	Q	95	Very high	94.4	Very high	109 Å²	109	56.3 Å²	56.3	51%	0.509	29%	0.293	S	S	.	.	H	α-helix	trans	-65.4	-39.8	179.1	-65.5	-171.8	16.4	0	0	112.3	A111 S116 T117 L152	A111-Q113 VanDerWaalsContact C-N 3.27Å; A111-Q113 PolarHBondContact O-N 2.89Å; Q113-S116 PolarHBondContact O-N 3.26Å; Q113-T117 PolarHBondContact O-N 2.9Å; Q113-T117 PolarHBondContact O-OG1 2.9Å; Q113-L152 HydrophobicContact CG-CD1 4.08Å
114	D	93.4	Very high	93.3	Very high	91 Å²	91	64.1 Å²	64.1	49%	0.487	32%	0.323	S	S	.	.	H	α-helix	trans	-65.8	-42.3	176.9	-76.7	-3.9	0	0	0	111.3	A111 V112 T117 Q118	A111-D114 WeakPolarHBondContact O-CB 3.41Å; A111-D114 PolarHBondContact O-N 3.27Å; A111-D114 VanDerWaalsContact O-N 3.15Å; V112-D114 PolarHBondContact O-N 3.08Å; D114-T117 PolarHBondContact O-N 2.79Å; D114-Q118 WeakPolarHBondContact O-CG 3.27Å; D114-Q118 PolarHBondContact O-N 3.11Å; D114-Q118 VanDerWaalsContact O-N 3.07Å
115	W	93.4	Very high	92.3	Very high	12 Å²	12	70 Å²	70	5%	0.045	35%	0.353	C	S	.	.	H	α-helix	trans	-63.9	-42.4	174.3	-72.4	115.7	0	0	0	112.1	I27 N29 R84 L99 A111 V112 T117 Q118 I119	I27-W115 HydrophobicContact CD1-CB 4.22Å; I27-W115 HydrophobicContact CD1-CE3 4.13Å; N29-W115 PolarHBondContact OD1-NE1 2.84Å; R84-W115 HydrophobicContact CG-CH2 3.95Å; R84-W115 HydrophobicContact CG-CZ3 4.06Å; L99-W115 HydrophobicContact CD1-CB 3.43Å; L99-W115 VanDerWaalsContact CD1-CB 3.43Å; L99-W115 HydrophobicContact CD1-CG 3.85Å; L99-W115 HydrophobicContact CD2-CB 4.09Å; L99-W115 HydrophobicContact CG-CB 4.44Å; A111-W115 PolarHBondContact O-N 2.95Å; V112-W115 PolarHBondContact O-N 3.08Å; W115-T117 VanDerWaalsContact C-N 3.34Å; W115-T117 PolarHBondContact O-N 3.42Å; W115-Q118 WeakPolarHBondContact O-CB 3.28Å; W115-Q118 PolarHBondContact O-N 2.96Å; W115-I119 WeakPolarHBondContact O-CG1 3.25Å; W115-I119 PolarHBondContact O-N 3.09Å
116	S	93.4	Very high	91.7	Very high	1 Å²	1	70.8 Å²	70.8	1%	0.007	36%	0.357	C	S	.	.	H	α-helix	trans	-59.3	-44.3	175.3	-178.7	0	0	0	0	111.7	V112 Q113 Q118 I119 K120 F158	V112-S116 WeakPolarHBondContact O-CB 3.42Å; V112-S116 PolarHBondContact O-N 3.46Å; Q113-S116 PolarHBondContact O-N 3.26Å; S116-Q118 VanDerWaalsContact C-N 3.3Å; S116-Q118 PolarHBondContact O-N 2.92Å; S116-I119 PolarHBondContact O-N 2.95Å; S116-K120 WeakPolarHBondContact O-CG 3.38Å; S116-K120 PolarHBondContact O-N 2.65Å; S116-F158 VanDerWaalsContact OG-CZ 3.27Å; S116-F158 WeakPolarHBondContact OG-CZ 3.43Å
117	T	92.6	Very high	91.5	Very high	83 Å²	83	64.8 Å²	64.8	51%	0.509	33%	0.332	S	S	.	.	H	α-helix	trans	-60.4	-40.9	175.8	-58.8	0	0	0	0	111.4	Q113 D114 W115 K120 T121	Q113-T117 PolarHBondContact O-N 2.9Å; Q113-T117 PolarHBondContact O-OG1 2.9Å; D114-T117 PolarHBondContact O-N 2.79Å; W115-T117 VanDerWaalsContact C-N 3.34Å; W115-T117 PolarHBondContact O-N 3.42Å; T117-K120 PolarHBondContact O-N 3.37Å; T117-T121 WeakPolarHBondContact O-CB 3.48Å; T117-T121 PolarHBondContact O-N 3.49Å; T117-T121 PolarHBondContact O-OG1 3.08Å
118	Q	90.7	Very high	91.5	Very high	30 Å²	30	59.5 Å²	59.5	14%	0.14	31%	0.307	C	S	.	.	H	α-helix	trans	-66.6	-40.3	176.3	-73.5	-169.2	-34.3	0	0	113.4	R84 Y91 D114 W115 S116 T121 Y122	R84-Q118 VanDerWaalsContact CZ-CD 3.45Å; R84-Q118 VanDerWaalsContact NH2-OE1 3.17Å; Y91-Q118 HydrophobicContact CE2-CB 4.08Å; D114-Q118 WeakPolarHBondContact O-CG 3.27Å; D114-Q118 PolarHBondContact O-N 3.11Å; D114-Q118 VanDerWaalsContact O-N 3.07Å; W115-Q118 WeakPolarHBondContact O-CB 3.28Å; W115-Q118 PolarHBondContact O-N 2.96Å; S116-Q118 VanDerWaalsContact C-N 3.3Å; S116-Q118 PolarHBondContact O-N 2.92Å; Q118-T121 PolarHBondContact O-N 2.96Å; Q118-Y122 HydrophobicContact CB-CD2 4.31Å; Q118-Y122 HydrophobicContact CG-CE2 4.4Å; Q118-Y122 VanDerWaalsContact O-CD2 3.26Å; Q118-Y122 WeakPolarHBondContact O-CD2 3.38Å; Q118-Y122 PolarHBondContact O-N 2.84Å
119	I	92.1	Very high	91.5	Very high	4 Å²	4	60 Å²	60	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-56.3	-57	172.8	-67.2	163.7	0	0	0	108.2	I27 Y91 F97 W115 S116 T121 Y122 S123 V129	I27-I119 HydrophobicContact CD1-CD1 3.47Å; I27-I119 VanDerWaalsContact CD1-CD1 3.47Å; I27-I119 HydrophobicContact CD1-CG1 3.65Å; I27-I119 HydrophobicContact CG1-CD1 4.47Å; Y91-I119 HydrophobicContact CE2-CG1 4.17Å; F97-I119 HydrophobicContact CB-CD1 4.02Å; F97-I119 HydrophobicContact CD1-CD1 4.15Å; F97-I119 HydrophobicContact CD1-CG1 3.96Å; F97-I119 HydrophobicContact CD2-CG2 3.9Å; F97-I119 HydrophobicContact CE1-CG1 4.15Å; F97-I119 HydrophobicContact CE2-CG2 3.88Å; F97-I119 HydrophobicContact CG-CD1 4.03Å; F97-I119 HydrophobicContact CG-CG1 4.15Å; F97-I119 HydrophobicContact CG-CG2 4.33Å; F97-I119 HydrophobicContact CZ-CG2 4.28Å; W115-I119 WeakPolarHBondContact O-CG1 3.25Å; W115-I119 PolarHBondContact O-N 3.09Å; S116-I119 PolarHBondContact O-N 2.95Å; I119-T121 PolarHBondContact O-N 2.69Å; I119-T121 VanDerWaalsContact O-N 3.07Å; I119-Y122 PolarHBondContact O-N 2.88Å; I119-S123 WeakPolarHBondContact CG2-OG 3.35Å; I119-S123 WeakPolarHBondContact O-CB 3.14Å; I119-S123 PolarHBondContact O-N 3.3Å; I119-S123 PolarHBondContact O-OG 3.27Å; I119-V129 HydrophobicContact CD1-CG1 4.16Å; I119-V129 HydrophobicContact CD1-CG2 4.23Å; I119-V129 HydrophobicContact CG2-CG2 4.09Å
120	K	90.6	Very high	91.5	Very high	132 Å²	132	58.2 Å²	58.2	57%	0.574	30%	0.303	S	S	*	.	H	α-helix	trans	-56.2	-31.1	-178.9	-68.3	177.7	-177.6	-179.1	0	114	S116 T117	S116-K120 WeakPolarHBondContact O-CG 3.38Å; S116-K120 PolarHBondContact O-N 2.65Å; T117-K120 PolarHBondContact O-N 3.37Å
121	T	90.6	Very high	91.6	Very high	87 Å²	87	55.8 Å²	55.8	53%	0.534	28%	0.278	S	S	.	.	H	α-helix	trans	-82	-36.3	-177.7	-55.9	0	0	0	0	113	T117 Q118 I119	T117-T121 WeakPolarHBondContact O-CB 3.48Å; T117-T121 PolarHBondContact O-N 3.49Å; T117-T121 PolarHBondContact O-OG1 3.08Å; Q118-T121 PolarHBondContact O-N 2.96Å; I119-T121 PolarHBondContact O-N 2.69Å; I119-T121 VanDerWaalsContact O-N 3.07Å
122	Y	88.7	Confident	91.8	Very high	128 Å²	128	55 Å²	55	50%	0.502	27%	0.271	S	S	.	.	H	α-helix	trans	-119.2	-11.4	-167.7	-57.3	-66.5	0	0	0	114.6	T88 Q118 I119	T88-Y122 HydrophobicContact CG2-CD2 3.78Å; T88-Y122 HydrophobicContact CG2-CE2 4.06Å; T88-Y122 HydrophobicContact CG2-CG 4.49Å; Q118-Y122 HydrophobicContact CB-CD2 4.31Å; Q118-Y122 HydrophobicContact CG-CE2 4.4Å; Q118-Y122 VanDerWaalsContact O-CD2 3.26Å; Q118-Y122 WeakPolarHBondContact O-CD2 3.38Å; Q118-Y122 PolarHBondContact O-N 2.84Å; I119-Y122 PolarHBondContact O-N 2.88Å
123	S	87.8	Confident	91.9	Very high	22 Å²	22	55 Å²	55	15%	0.154	27%	0.271	C	S	.	.	S	Bend	trans	-86.8	175.9	175.7	79.4	0	0	0	0	112.1	I119	I119-S123 WeakPolarHBondContact CG2-OG 3.35Å; I119-S123 WeakPolarHBondContact O-CB 3.14Å; I119-S123 PolarHBondContact O-N 3.3Å; I119-S123 PolarHBondContact O-OG 3.27Å
124	W	77.6	Confident	92.1	Very high	165 Å²	165	50 Å²	50	63%	0.625	25%	0.248	S	C	*	.			trans	-76.5	149.4	171.2	-151.7	33	0	0	0	110.4	N126 A127	W124-N126 HydrophobicContact CE3-CB 4.47Å; W124-N126 PolarHBondContact O-N 3.39Å; W124-N126 VanDerWaalsContact O-N 3.09Å; W124-A127 WeakPolarHBondContact O-CB 3.44Å; W124-A127 PolarHBondContact O-N 3.04Å
125	D	76.6	Confident	92.3	Very high	156 Å²	156	47.9 Å²	47.9	83%	0.834	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.8	-174.6	-68.1	-25.9	0	0	0	113.5
126	N	84.4	Confident	92.5	Very high	67 Å²	67	48.2 Å²	48.2	36%	0.358	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	9	-178.1	-70.6	-30.8	0	0	0	114.1	W124 Q128 K185	W124-N126 HydrophobicContact CE3-CB 4.47Å; W124-N126 PolarHBondContact O-N 3.39Å; W124-N126 VanDerWaalsContact O-N 3.09Å; N126-Q128 PolarHBondContact O-N 2.97Å; N126-Q128 PolarHBondContact O-NE2 2.82Å; N126-K185 HydrophobicContact CB-CG 4.22Å; N126-K185 WeakPolarHBondContact OD1-CE 3.39Å
127	A	93.6	Very high	92.8	Very high	16 Å²	16	50 Å²	50	13%	0.132	25%	0.248	C	C	.	.			trans	-65.7	130	179.6	0	0	0	0	0	111.5	M95 F97 W124	M95-A127 WeakPolarHBondContact O-CA 3.25Å; F97-A127 HydrophobicContact CD2-CB 4.01Å; F97-A127 HydrophobicContact CE2-CB 3.69Å; W124-A127 WeakPolarHBondContact O-CB 3.44Å; W124-A127 PolarHBondContact O-N 3.04Å
128	Q	97	Very high	93	Very high	40 Å²	40	48.9 Å²	48.9	19%	0.187	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	145.3	179	-58.1	-53.8	-59.8	0	0	110.7	M95 G96 F97 N126 L178 L181 I182 K185	M95-Q128 PolarHBondContact O-N 3.33Å; G96-Q128 CarbonylContact C-O 3.56Å; G96-Q128 VanDerWaalsContact CA-O 3.23Å; G96-Q128 WeakPolarHBondContact CA-O 3.31Å; F97-Q128 PolarHBondContact N-O 3.28Å; N126-Q128 PolarHBondContact O-N 2.97Å; N126-Q128 PolarHBondContact O-NE2 2.82Å; Q128-L178 HydrophobicContact CB-CD1 3.9Å; Q128-L181 HydrophobicContact CB-CB 3.98Å; Q128-L181 HydrophobicContact CG-CB 3.92Å; Q128-I182 HydrophobicContact CB-CG1 4.02Å; Q128-I182 HydrophobicContact CG-CG1 3.92Å; Q128-K185 HydrophobicContact CG-CB 4.42Å
129	V	97.4	Very high	93.3	Very high	13 Å²	13	52.8 Å²	52.8	8%	0.079	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.1	-177.3	-170.4	0	0	0	0	110.2	F97 L99 I119 F158	F97-V129 HydrophobicContact CB-CG1 4.24Å; F97-V129 HydrophobicContact CB-CG2 4.24Å; F97-V129 HydrophobicContact CD2-CG2 4.48Å; F97-V129 WeakPolarHBondContact O-CA 3.44Å; L99-V129 HydrophobicContact CB-CG1 4.17Å; I119-V129 HydrophobicContact CD1-CG1 4.16Å; I119-V129 HydrophobicContact CD1-CG2 4.23Å; I119-V129 HydrophobicContact CG2-CG2 4.09Å; V129-F158 HydrophobicContact CB-CD1 3.73Å; V129-F158 HydrophobicContact CB-CD2 4.31Å; V129-F158 HydrophobicContact CB-CE1 3.7Å; V129-F158 HydrophobicContact CB-CE2 4.26Å; V129-F158 HydrophobicContact CB-CG 4.06Å; V129-F158 HydrophobicContact CB-CZ 3.96Å; V129-F158 HydrophobicContact CG1-CD1 4.18Å; V129-F158 HydrophobicContact CG1-CD2 3.83Å; V129-F158 HydrophobicContact CG1-CE1 4.11Å; V129-F158 HydrophobicContact CG1-CE2 3.73Å; V129-F158 HydrophobicContact CG1-CG 4.05Å; V129-F158 HydrophobicContact CG1-CZ 3.88Å; V129-F158 HydrophobicContact CG2-CD1 4.45Å; V129-F158 HydrophobicContact CG2-CE1 3.94Å; V129-F158 HydrophobicContact CG2-CZ 4.11Å
130	V	98.6	Very high	93.6	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130.9	168	177.6	0	0	0	0	108.4	F97 L99 E159 F161 T174 L178 L181	F97-V130 PolarHBondContact O-N 2.88Å; L99-V130 PolarHBondContact N-O 3.03Å; V130-E159 HydrophobicContact CG1-CB 4.44Å; V130-E159 HydrophobicContact CG2-CB 4.23Å; V130-F161 HydrophobicContact CG1-CD2 3.63Å; V130-F161 HydrophobicContact CG1-CE2 4.03Å; V130-T174 HydrophobicContact CG1-CG2 3.93Å; V130-L178 HydrophobicContact CG2-CB 3.95Å; V130-L178 HydrophobicContact CG2-CD1 4.08Å; V130-L181 HydrophobicContact CG2-CD1 3.95Å
131	L	98.8	Very high	93.9	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	128.2	171.9	-175.3	65.9	0	0	0	109.7	L99 Y101 V112 A153 F158 E159 F160 F161	L99-L131 HydrophobicContact CB-CD1 4.37Å; L99-L131 HydrophobicContact CD2-CD1 4.33Å; L99-L131 HydrophobicContact CG-CD1 3.98Å; L99-L131 CarbonylContact O-C 3.45Å; L99-L131 WeakPolarHBondContact O-CA 3.31Å; Y101-L131 HydrophobicContact CD1-CD1 3.98Å; Y101-L131 HydrophobicContact CD1-CG 4.36Å; Y101-L131 HydrophobicContact CE1-CD1 4.23Å; Y101-L131 HydrophobicContact CE1-CD2 4.22Å; Y101-L131 HydrophobicContact CE1-CG 4.11Å; V112-L131 HydrophobicContact CG1-CD1 3.62Å; V112-L131 HydrophobicContact CG2-CD1 4.11Å; L131-A153 HydrophobicContact CB-CB 4.33Å; L131-A153 HydrophobicContact CD2-CB 3.85Å; L131-F158 HydrophobicContact CB-CB 4.42Å; L131-E159 PolarHBondContact N-O 2.88Å; L131-F160 HydrophobicContact CB-CD2 4.19Å; L131-F160 HydrophobicContact CD2-CD2 3.98Å; L131-F160 HydrophobicContact CD2-CE2 4.41Å; L131-F160 HydrophobicContact CG-CD2 4.01Å; L131-F160 HydrophobicContact CG-CE2 4.47Å; L131-F160 WeakPolarHBondContact O-CA 3.44Å; L131-F161 PolarHBondContact O-N 3.37Å
132	A	98.8	Very high	94.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	115.7	178.8	0	0	0	0	0	111.3	I98 L99 M100 Y101 F161 T163	I98-A132 HydrophobicContact CG2-CB 4.08Å; L99-A132 PolarHBondContact O-N 2.71Å; M100-A132 VanDerWaalsContact CA-O 3.31Å; M100-A132 WeakPolarHBondContact CA-O 3.29Å; M100-A132 HydrophobicContact CE-CB 4.39Å; M100-A132 HydrophobicContact CG-CB 4.47Å; Y101-A132 PolarHBondContact N-O 2.81Å; A132-F161 CarbonylContact C-O 3.5Å; A132-F161 VanDerWaalsContact CA-O 3.29Å; A132-F161 WeakPolarHBondContact CA-O 3.46Å; A132-T163 HydrophobicContact CB-CG2 4.38Å
133	G	98.7	Very high	94.8	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	102.4	165.8	0	0	0	0	0	109.6	Y101 F161 E162 T163	Y101-G133 VanDerWaalsContact CE1-CA 3.5Å; Y101-G133 VanDerWaalsContact CZ-CA 3.49Å; G133-F161 PolarHBondContact N-O 2.87Å; G133-E162 CarbonylContact O-C 3.54Å; G133-E162 VanDerWaalsContact O-CA 3.27Å; G133-E162 WeakPolarHBondContact O-CA 3.24Å; G133-T163 PolarHBondContact O-N 2.96Å
134	N	98.6	Very high	95.3	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.021	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	165.3	-175.5	-169.8	34.2	0	0	0	112.1	V32 M100 Y101 I103 T163 A165	V32-N134 PolarHBondContact O-ND2 2.85Å; M100-N134 HydrophobicContact CE-CB 4.45Å; M100-N134 HydrophobicContact CG-CB 3.85Å; M100-N134 HydrophobicContact SD-CB 3.8Å; Y101-N134 PolarHBondContact O-N 2.86Å; I103-N134 PolarHBondContact N-O 2.83Å; I103-N134 VanDerWaalsContact N-O 3.09Å; N134-T163 CarbonylContact C-O 3.49Å; N134-T163 VanDerWaalsContact CA-O 3.3Å; N134-T163 WeakPolarHBondContact CA-O 3.42Å; N134-T163 WeakPolarHBondContact CA-OG1 3.39Å; N134-T163 PolarHBondContact OD1-O 3.43Å; N134-T163 PolarHBondContact OD1-OG1 2.82Å; N134-A165 PolarHBondContact OD1-N 2.93Å
135	K	98.2	Very high	96.3	Very high	45 Å²	45	51.7 Å²	51.7	20%	0.196	27%	0.265	C	S	.	.			trans	69	34.6	-178	-45.4	-169.7	-165.5	166	0	114.2	S31 D102 I103 D137 M138 T163	S31-K135 WeakPolarHBondContact O-CE 3.4Å; S31-K135 PolarHBondContact O-NZ 2.91Å; D102-K135 WeakPolarHBondContact OD1-CD 3.47Å; D102-K135 WeakPolarHBondContact OD2-CD 3.25Å; D102-K135 WeakPolarHBondContact OD2-CE 3.42Å; D102-K135 IonicContact OD2-NZ 2.7Å; D102-K135 PolarHBondContact OD2-NZ 3.26Å; I103-K135 WeakPolarHBondContact CD1-O 3.49Å; I103-K135 WeakPolarHBondContact CG1-O 3.36Å; K135-D137 PolarHBondContact O-N 3.14Å; K135-M138 HydrophobicContact CB-CG 4.35Å; K135-M138 HydrophobicContact CB-SD 4.05Å; K135-M138 HydrophobicContact CD-CE 4.43Å; K135-M138 HydrophobicContact CD-SD 3.85Å; K135-M138 WeakPolarHBondContact O-CB 3.35Å; K135-M138 PolarHBondContact O-N 2.71Å; K135-T163 PolarHBondContact N-O 2.77Å
136	C	98.3	Very high	97.3	Very high	20 Å²	20	46.6 Å²	46.6	14%	0.135	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-8.6	174.9	69.2	0	0	0	0	114.6	I103 M138 E162 T163	I103-C136 HydrophobicContact CD1-CB 4.41Å; C136-M138 PolarHBondContact O-N 3.37Å; C136-E162 HydrophobicContact CB-CB 4.09Å; C136-T163 PolarHBondContact N-O 2.92Å; C136-T163 PolarHBondContact SG-O 3.38Å
137	D	98.2	Very high	98	Very high	37 Å²	37	48.7 Å²	48.7	20%	0.198	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-16.9	167.3	60.1	-80.2	0	0	0	113.7	K135 E139 S164 K166 D167	K135-D137 PolarHBondContact O-N 3.14Å; D137-E139 PolarHBondContact O-N 2.98Å; D137-S164 VanDerWaalsContact OD1-CB 3.32Å; D137-S164 WeakPolarHBondContact OD1-CB 3.38Å; D137-S164 PolarHBondContact OD1-OG 2.84Å; D137-K166 HydrophobicContact CB-CD 4.46Å; D137-K166 WeakPolarHBondContact OD2-CD 3.39Å; D137-K166 IonicContact OD2-NZ 2.88Å; D137-K166 PolarHBondContact OD2-NZ 2.81Å; D137-D167 HydrophobicContact CB-CB 4.5Å; D137-D167 VanDerWaalsContact CB-OD2 3.25Å; D137-D167 WeakPolarHBondContact CB-OD2 3.27Å
138	M	97.3	Very high	98.2	Very high	61 Å²	61	50.4 Å²	50.4	30%	0.3	26%	0.261	S	S	.	.			trans	-96.4	50.3	-178.8	-61.9	179.9	169.4	0	0	112.1	T104 K135 C136 E140 E141 R142	T104-M138 HydrophobicContact CG2-CB 3.66Å; T104-M138 HydrophobicContact CG2-SD 4.21Å; K135-M138 HydrophobicContact CB-CG 4.35Å; K135-M138 HydrophobicContact CB-SD 4.05Å; K135-M138 HydrophobicContact CD-CE 4.43Å; K135-M138 HydrophobicContact CD-SD 3.85Å; K135-M138 WeakPolarHBondContact O-CB 3.35Å; K135-M138 PolarHBondContact O-N 2.71Å; C136-M138 PolarHBondContact O-N 3.37Å; M138-E140 VanDerWaalsContact C-N 3.26Å; M138-E140 PolarHBondContact O-N 2.85Å; M138-E141 HydrophobicContact CB-CB 4.43Å; M138-E141 PolarHBondContact O-N 3.33Å; M138-R142 PolarHBondContact O-N 3.29Å
139	E	97.1	Very high	98.3	Very high	112 Å²	112	48.5 Å²	48.5	52%	0.523	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-60.6	-33.3	-174	-168.7	60.6	-148.5	0	0	113.2	D137 E141 R142	D137-E139 PolarHBondContact O-N 2.98Å; E139-E141 PolarHBondContact O-N 2.98Å; E139-R142 VanDerWaalsContact O-CB 3.27Å; E139-R142 WeakPolarHBondContact O-CB 3.31Å; E139-R142 PolarHBondContact O-N 3.49Å; E139-R142 WeakPolarHBondContact OE1-CD 3.23Å; E139-R142 IonicContact OE1-CZ 2.72Å; E139-R142 IonicContact OE1-NE 3.27Å; E139-R142 PolarHBondContact OE1-NE 3.46Å; E139-R142 IonicContact OE1-NH2 3.97Å; E139-R142 IonicContact OE2-CZ 3.87Å; E139-R142 VanDerWaalsContact OE2-CZ 3.25Å; E139-R142 IonicContact OE2-NE 3.42Å; E139-R142 PolarHBondContact OE2-NE 2.99Å; E139-R142 IonicContact OE2-NH2 2.77Å; E139-R142 PolarHBondContact OE2-NH2 3.48Å
140	E	97.9	Very high	98.3	Very high	201 Å²	201	52.8 Å²	52.8	94%	0.939	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-67.8	-24.1	177.9	-62.7	-176	177.8	0	0	113.2	M138	M138-E140 VanDerWaalsContact C-N 3.26Å; M138-E140 PolarHBondContact O-N 2.85Å
141	E	98	Very high	98.3	Very high	127 Å²	127	57.3 Å²	57.3	59%	0.593	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-101.8	6	-180	-63.3	176.8	-123.6	0	0	111.9	T104 M138 E139 V143	T104-E141 WeakPolarHBondContact CB-O 3.33Å; T104-E141 HydrophobicContact CG2-CB 3.73Å; M138-E141 HydrophobicContact CB-CB 4.43Å; M138-E141 PolarHBondContact O-N 3.33Å; E139-E141 PolarHBondContact O-N 2.98Å; E141-V143 PolarHBondContact O-N 3.08Å
142	R	98.6	Very high	98.3	Very high	48 Å²	48	57.9 Å²	57.9	18%	0.181	29%	0.294	C	S	.	.			trans	-61.6	127	-176.6	179.5	-177.4	-71.4	-85.3	7	111.1	I103 M138 E139 V144 E162	I103-R142 HydrophobicContact CD1-CB 4.26Å; I103-R142 HydrophobicContact CD1-CG 4.22Å; I103-R142 VanDerWaalsContact CD1-CZ 3.42Å; M138-R142 PolarHBondContact O-N 3.29Å; E139-R142 VanDerWaalsContact O-CB 3.27Å; E139-R142 WeakPolarHBondContact O-CB 3.31Å; E139-R142 PolarHBondContact O-N 3.49Å; E139-R142 WeakPolarHBondContact OE1-CD 3.23Å; E139-R142 IonicContact OE1-CZ 2.72Å; E139-R142 IonicContact OE1-NE 3.27Å; E139-R142 PolarHBondContact OE1-NE 3.46Å; E139-R142 IonicContact OE1-NH2 3.97Å; E139-R142 IonicContact OE2-CZ 3.87Å; E139-R142 VanDerWaalsContact OE2-CZ 3.25Å; E139-R142 IonicContact OE2-NE 3.42Å; E139-R142 PolarHBondContact OE2-NE 2.99Å; E139-R142 IonicContact OE2-NH2 2.77Å; E139-R142 PolarHBondContact OE2-NH2 3.48Å; R142-V144 WeakPolarHBondContact CD-O 3.43Å; R142-V144 WeakPolarHBondContact CG-O 2.85Å; R142-V144 PolarHBondContact NH1-O 3.25Å; R142-E162 IonicContact CZ-OE1 2.65Å; R142-E162 IonicContact CZ-OE2 2.85Å; R142-E162 IonicContact NH1-OE1 2.79Å; R142-E162 PolarHBondContact NH1-OE1 2.83Å; R142-E162 IonicContact NH1-OE2 2.6Å; R142-E162 IonicContact NH2-OE1 3.55Å; R142-E162 IonicContact NH2-OE2 2.81Å; R142-E162 PolarHBondContact NH2-OE2 3.45Å
143	V	98.5	Very high	98.3	Very high	84 Å²	84	58 Å²	58	51%	0.509	30%	0.295	S	S	.	.			trans	-117.6	-19.3	171.2	-55.2	0	0	0	0	112.6	I103 T104 E106 E141	I103-V143 PolarHBondContact O-N 3.46Å; T104-V143 VanDerWaalsContact C-CG2 3.45Å; E106-V143 HydrophobicContact CB-CG2 4.08Å; E141-V143 PolarHBondContact O-N 3.08Å
144	V	98.5	Very high	98.2	Very high	5 Å²	5	64.1 Å²	64.1	3%	0.03	32%	0.324	C	S	.	.	S	Bend	trans	-107.7	119.6	174.1	-173.1	0	0	0	0	109.4	Y101 I103 F109 R142	Y101-V144 HydrophobicContact CE2-CB 4.13Å; Y101-V144 HydrophobicContact CE2-CG1 3.81Å; Y101-V144 HydrophobicContact CE2-CG2 4.43Å; I103-V144 PolarHBondContact O-N 2.87Å; F109-V144 HydrophobicContact CB-CG1 4.42Å; F109-V144 HydrophobicContact CB-CG2 3.79Å; F109-V144 HydrophobicContact CD1-CG1 4.06Å; F109-V144 HydrophobicContact CD1-CG2 4.36Å; F109-V144 HydrophobicContact CD2-CG1 3.81Å; F109-V144 HydrophobicContact CE1-CG1 4.25Å; F109-V144 HydrophobicContact CE2-CG1 4.01Å; F109-V144 HydrophobicContact CG-CG1 3.83Å; F109-V144 HydrophobicContact CG-CG2 4.05Å; F109-V144 HydrophobicContact CZ-CG1 4.22Å; R142-V144 WeakPolarHBondContact CD-O 3.43Å; R142-V144 WeakPolarHBondContact CG-O 2.85Å; R142-V144 PolarHBondContact NH1-O 3.25Å
145	S	98.4	Very high	98.2	Very high	49 Å²	49	70.2 Å²	70.2	34%	0.343	35%	0.352	S	S	.	.			trans	-72.5	153.1	176.8	71	0	0	0	0	111.8	D147 S148 G149	S145-D147 PolarHBondContact O-N 3.39Å; S145-S148 PolarHBondContact O-N 2.79Å; S145-S148 WeakPolarHBondContact OG-CB 3.33Å; S145-S148 PolarHBondContact OG-N 3.31Å; S145-S148 VanDerWaalsContact OG-N 3.17Å; S145-S148 PolarHBondContact OG-OG 2.88Å; S145-S148 VanDerWaalsContact OG-OG 3.05Å; S145-G149 PolarHBondContact O-N 2.9Å; S145-G149 VanDerWaalsContact O-N 3.15Å
146	V	98.3	Very high	98.1	Very high	49 Å²	49	69.7 Å²	69.7	30%	0.297	35%	0.351	S	S	.	.	H	α-helix	trans	-55.4	-40.2	174.4	-168.5	0	0	0	0	111.1	G149 R150 F160 E162	V146-G149 PolarHBondContact O-N 2.89Å; V146-R150 PolarHBondContact O-N 3.05Å; V146-F160 HydrophobicContact CG1-CE1 4.09Å; V146-E162 HydrophobicContact CG1-CG 4.29Å
147	D	98.5	Very high	98	Very high	111 Å²	111	71.9 Å²	71.9	59%	0.594	38%	0.377	S	S	*	.	H	α-helix	trans	-68.7	-36.9	-178.4	-65.6	-31.9	0	0	0	112.4	S145 R150 L151	S145-D147 PolarHBondContact O-N 3.39Å; D147-R150 PolarHBondContact O-N 2.87Å; D147-R150 IonicContact OD1-NH1 3.25Å; D147-R150 PolarHBondContact OD1-NH1 3.47Å; D147-L151 VanDerWaalsContact O-CB 3.24Å; D147-L151 WeakPolarHBondContact O-CB 3.46Å; D147-L151 PolarHBondContact O-N 2.85Å
148	S	98.3	Very high	97.9	Very high	52 Å²	52	71.6 Å²	71.6	36%	0.364	37%	0.374	S	S	.	.	H	α-helix	trans	-63.2	-42.9	172.5	-68.2	0	0	0	0	111.4	S145 L151 L152	S145-S148 PolarHBondContact O-N 2.79Å; S145-S148 WeakPolarHBondContact OG-CB 3.33Å; S145-S148 PolarHBondContact OG-N 3.31Å; S145-S148 VanDerWaalsContact OG-N 3.17Å; S145-S148 PolarHBondContact OG-OG 2.88Å; S145-S148 VanDerWaalsContact OG-OG 3.05Å; S148-L151 PolarHBondContact O-N 2.92Å; S148-L152 WeakPolarHBondContact O-CB 3.47Å; S148-L152 PolarHBondContact O-N 2.92Å
149	G	98.3	Very high	97.9	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-59.4	-48.2	174.6	0	0	0	0	0	112.6	Y101 S145 V146 L152 A153	Y101-G149 WeakPolarHBondContact OH-CA 3.37Å; S145-G149 PolarHBondContact O-N 2.9Å; S145-G149 VanDerWaalsContact O-N 3.15Å; V146-G149 PolarHBondContact O-N 2.89Å; G149-L152 PolarHBondContact O-N 2.79Å; G149-A153 PolarHBondContact O-N 2.86Å
150	R	98.5	Very high	98	Very high	104 Å²	104	68.3 Å²	68.3	39%	0.392	36%	0.358	S	S	.	.	H	α-helix	trans	-62.5	-47.2	177.5	-171.4	-180	-61.6	105.3	2.4	112.1	V146 D147 L152 A153 E154 F160	V146-R150 PolarHBondContact O-N 3.05Å; D147-R150 PolarHBondContact O-N 2.87Å; D147-R150 IonicContact OD1-NH1 3.25Å; D147-R150 PolarHBondContact OD1-NH1 3.47Å; R150-L152 VanDerWaalsContact C-N 3.33Å; R150-L152 PolarHBondContact O-N 3.35Å; R150-A153 WeakPolarHBondContact O-CB 3.41Å; R150-A153 PolarHBondContact O-N 2.96Å; R150-E154 WeakPolarHBondContact O-CG 3.48Å; R150-E154 PolarHBondContact O-N 3.18Å; R150-F160 HydrophobicContact CB-CD1 3.93Å; R150-F160 HydrophobicContact CB-CE1 4.27Å
151	L	98.6	Very high	98	Very high	95 Å²	95	60.8 Å²	60.8	50%	0.497	32%	0.322	S	S	.	.	H	α-helix	trans	-60.4	-43.2	179.5	-178.9	65.5	0	0	0	111.4	D147 S148 E154 Q155	D147-L151 VanDerWaalsContact O-CB 3.24Å; D147-L151 WeakPolarHBondContact O-CB 3.46Å; D147-L151 PolarHBondContact O-N 2.85Å; S148-L151 PolarHBondContact O-N 2.92Å; L151-E154 PolarHBondContact O-N 3.05Å; L151-Q155 VanDerWaalsContact O-CG 3.28Å; L151-Q155 WeakPolarHBondContact O-CG 3.48Å; L151-Q155 PolarHBondContact O-N 3.42Å
152	L	98.3	Very high	98.1	Very high	11 Å²	11	55.9 Å²	55.9	6%	0.058	30%	0.299	C	S	.	.	H	α-helix	trans	-65	-41.2	176.9	-178.7	60.9	0	0	0	111.5	F109 V112 Q113 S148 G149 R150 Q155 L156	F109-L152 HydrophobicContact CD2-CD2 4.1Å; F109-L152 HydrophobicContact CE1-CD2 4.37Å; F109-L152 HydrophobicContact CE2-CB 4.11Å; F109-L152 HydrophobicContact CE2-CD2 3.42Å; F109-L152 VanDerWaalsContact CE2-CD2 3.42Å; F109-L152 HydrophobicContact CE2-CG 4.4Å; F109-L152 HydrophobicContact CZ-CB 3.91Å; F109-L152 HydrophobicContact CZ-CD2 3.58Å; F109-L152 HydrophobicContact CZ-CG 4.38Å; V112-L152 HydrophobicContact CB-CD2 3.88Å; V112-L152 HydrophobicContact CG1-CD2 3.67Å; V112-L152 HydrophobicContact CG1-CG 4.41Å; Q113-L152 HydrophobicContact CG-CD1 4.08Å; S148-L152 WeakPolarHBondContact O-CB 3.47Å; S148-L152 PolarHBondContact O-N 2.92Å; G149-L152 PolarHBondContact O-N 2.79Å; R150-L152 VanDerWaalsContact C-N 3.33Å; R150-L152 PolarHBondContact O-N 3.35Å; L152-Q155 PolarHBondContact O-N 3.15Å; L152-L156 HydrophobicContact CD1-CD1 3.98Å; L152-L156 HydrophobicContact CD1-CG 4.16Å; L152-L156 HydrophobicContact CG-CD1 3.96Å; L152-L156 HydrophobicContact CG-CG 4.48Å; L152-L156 WeakPolarHBondContact O-CB 3.45Å; L152-L156 VanDerWaalsContact O-CG 3.29Å; L152-L156 WeakPolarHBondContact O-CG 3.4Å; L152-L156 PolarHBondContact O-N 3.12Å
153	A	98.1	Very high	98.1	Very high	2 Å²	2	53.6 Å²	53.6	2%	0.017	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-44.7	176.4	0	0	0	0	0	111.9	L131 G149 R150 Q155 L156 G157 F158 F160	L131-A153 HydrophobicContact CB-CB 4.33Å; L131-A153 HydrophobicContact CD2-CB 3.85Å; G149-A153 PolarHBondContact O-N 2.86Å; R150-A153 WeakPolarHBondContact O-CB 3.41Å; R150-A153 PolarHBondContact O-N 2.96Å; A153-Q155 PolarHBondContact O-N 2.92Å; A153-L156 CarbonylContact O-C 3.55Å; A153-L156 PolarHBondContact O-N 3Å; A153-L156 VanDerWaalsContact O-N 3.17Å; A153-G157 PolarHBondContact O-N 3.39Å; A153-F158 HydrophobicContact CB-CB 4.47Å; A153-F158 PolarHBondContact O-N 2.64Å; A153-F160 HydrophobicContact CB-CB 3.62Å; A153-F160 HydrophobicContact CB-CD2 4.48Å; A153-F160 HydrophobicContact CB-CG 4.25Å
154	E	98.1	Very high	98.1	Very high	130 Å²	130	49.6 Å²	49.6	61%	0.607	27%	0.266	S	S	*	.	H	α-helix	trans	-59	-45.2	175.3	-73.8	174.2	-169.2	0	0	111.7	R150 L151 L156 G157	R150-E154 WeakPolarHBondContact O-CG 3.48Å; R150-E154 PolarHBondContact O-N 3.18Å; L151-E154 PolarHBondContact O-N 3.05Å; E154-L156 VanDerWaalsContact C-N 3.27Å; E154-L156 PolarHBondContact O-N 3.07Å; E154-G157 PolarHBondContact O-N 2.87Å
155	Q	97.5	Very high	98	Very high	132 Å²	132	49.5 Å²	49.5	62%	0.617	27%	0.266	S	S	*	.	H	α-helix	trans	-61.7	-35	176.7	-73.5	174	-7.2	0	0	112.9	L151 L152 A153	L151-Q155 VanDerWaalsContact O-CG 3.28Å; L151-Q155 WeakPolarHBondContact O-CG 3.48Å; L151-Q155 PolarHBondContact O-N 3.42Å; L152-Q155 PolarHBondContact O-N 3.15Å; A153-Q155 PolarHBondContact O-N 2.92Å
156	L	96.1	Very high	98	Very high	33 Å²	33	51.9 Å²	51.9	17%	0.173	27%	0.27	C	S	.	.	H	α-helix	trans	-86.2	-13.3	179.3	-64.7	176.2	0	0	0	113.2	V112 L152 A153 E154 F158	V112-L156 HydrophobicContact CG1-CD1 3.91Å; L152-L156 HydrophobicContact CD1-CD1 3.98Å; L152-L156 HydrophobicContact CD1-CG 4.16Å; L152-L156 HydrophobicContact CG-CD1 3.96Å; L152-L156 HydrophobicContact CG-CG 4.48Å; L152-L156 WeakPolarHBondContact O-CB 3.45Å; L152-L156 VanDerWaalsContact O-CG 3.29Å; L152-L156 WeakPolarHBondContact O-CG 3.4Å; L152-L156 PolarHBondContact O-N 3.12Å; A153-L156 CarbonylContact O-C 3.55Å; A153-L156 PolarHBondContact O-N 3Å; A153-L156 VanDerWaalsContact O-N 3.17Å; E154-L156 VanDerWaalsContact C-N 3.27Å; E154-L156 PolarHBondContact O-N 3.07Å; L156-F158 HydrophobicContact CB-CD1 4.3Å; L156-F158 HydrophobicContact CB-CD2 3.66Å; L156-F158 HydrophobicContact CB-CE1 4.31Å; L156-F158 HydrophobicContact CB-CE2 3.7Å; L156-F158 HydrophobicContact CB-CG 3.98Å; L156-F158 HydrophobicContact CB-CZ 4.04Å; L156-F158 HydrophobicContact CD1-CD2 4Å; L156-F158 HydrophobicContact CD1-CE2 3.79Å; L156-F158 HydrophobicContact CG-CD2 4.5Å; L156-F158 HydrophobicContact CG-CE2 4.32Å; L156-F158 WeakPolarHBondContact O-CE1 3.34Å
157	G	96.2	Very high	97.9	Very high	67 Å²	67	53.9 Å²	53.9	69%	0.691	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	32.4	-175.2	0	0	0	0	0	113.5	A153 E154	A153-G157 PolarHBondContact O-N 3.39Å; E154-G157 PolarHBondContact O-N 2.87Å
158	F	97.3	Very high	97.9	Very high	31 Å²	31	52 Å²	52	14%	0.136	27%	0.269	C	S	.	.			trans	-109.1	151	-177.3	-57.5	-19.2	0	0	0	111.5	L99 S116 V129 L131 A153 L156	L99-F158 HydrophobicContact CD2-CE2 4.28Å; S116-F158 VanDerWaalsContact OG-CZ 3.27Å; S116-F158 WeakPolarHBondContact OG-CZ 3.43Å; V129-F158 HydrophobicContact CB-CD1 3.73Å; V129-F158 HydrophobicContact CB-CD2 4.31Å; V129-F158 HydrophobicContact CB-CE1 3.7Å; V129-F158 HydrophobicContact CB-CE2 4.26Å; V129-F158 HydrophobicContact CB-CG 4.06Å; V129-F158 HydrophobicContact CB-CZ 3.96Å; V129-F158 HydrophobicContact CG1-CD1 4.18Å; V129-F158 HydrophobicContact CG1-CD2 3.83Å; V129-F158 HydrophobicContact CG1-CE1 4.11Å; V129-F158 HydrophobicContact CG1-CE2 3.73Å; V129-F158 HydrophobicContact CG1-CG 4.05Å; V129-F158 HydrophobicContact CG1-CZ 3.88Å; V129-F158 HydrophobicContact CG2-CD1 4.45Å; V129-F158 HydrophobicContact CG2-CE1 3.94Å; V129-F158 HydrophobicContact CG2-CZ 4.11Å; L131-F158 HydrophobicContact CB-CB 4.42Å; A153-F158 HydrophobicContact CB-CB 4.47Å; A153-F158 PolarHBondContact O-N 2.64Å; L156-F158 HydrophobicContact CB-CD1 4.3Å; L156-F158 HydrophobicContact CB-CD2 3.66Å; L156-F158 HydrophobicContact CB-CE1 4.31Å; L156-F158 HydrophobicContact CB-CE2 3.7Å; L156-F158 HydrophobicContact CB-CG 3.98Å; L156-F158 HydrophobicContact CB-CZ 4.04Å; L156-F158 HydrophobicContact CD1-CD2 4Å; L156-F158 HydrophobicContact CD1-CE2 3.79Å; L156-F158 HydrophobicContact CG-CD2 4.5Å; L156-F158 HydrophobicContact CG-CE2 4.32Å; L156-F158 WeakPolarHBondContact O-CE1 3.34Å
159	E	97.6	Very high	97.9	Very high	73 Å²	73	52.7 Å²	52.7	34%	0.341	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	148.7	163.9	-72.5	-73.6	-175.3	0	0	110.1	V130 L131 F161 R177 L181	V130-E159 HydrophobicContact CG1-CB 4.44Å; V130-E159 HydrophobicContact CG2-CB 4.23Å; L131-E159 PolarHBondContact N-O 2.88Å; E159-F161 HydrophobicContact CB-CE2 4.49Å; E159-R177 HydrophobicContact CG-CG 4.34Å; E159-R177 IonicContact OE1-CZ 3.3Å; E159-R177 IonicContact OE1-NE 3.53Å; E159-R177 PolarHBondContact OE1-NE 3.07Å; E159-R177 IonicContact OE1-NH2 3.6Å; E159-R177 PolarHBondContact OE1-NH2 3.24Å; E159-L181 HydrophobicContact CB-CD1 4.49Å; E159-L181 HydrophobicContact CG-CD1 3.94Å; E159-L181 HydrophobicContact CG-CD2 4.38Å
160	F	98.6	Very high	97.9	Very high	31 Å²	31	55.2 Å²	55.2	14%	0.136	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.9	-175.8	178.2	-117.8	0	0	0	113.1	Y101 L131 V146 R150 A153 E162	Y101-F160 HydrophobicContact CE1-CE2 4.06Å; Y101-F160 WeakPolarHBondContact OH-CE2 3.46Å; L131-F160 HydrophobicContact CB-CD2 4.19Å; L131-F160 HydrophobicContact CD2-CD2 3.98Å; L131-F160 HydrophobicContact CD2-CE2 4.41Å; L131-F160 HydrophobicContact CG-CD2 4.01Å; L131-F160 HydrophobicContact CG-CE2 4.47Å; L131-F160 WeakPolarHBondContact O-CA 3.44Å; V146-F160 HydrophobicContact CG1-CE1 4.09Å; R150-F160 HydrophobicContact CB-CD1 3.93Å; R150-F160 HydrophobicContact CB-CE1 4.27Å; A153-F160 HydrophobicContact CB-CB 3.62Å; A153-F160 HydrophobicContact CB-CD2 4.48Å; A153-F160 HydrophobicContact CB-CG 4.25Å; F160-E162 HydrophobicContact CE1-CG 4.05Å; F160-E162 HydrophobicContact CZ-CG 3.65Å
161	F	98.7	Very high	97.9	Very high	42 Å²	42	50.2 Å²	50.2	18%	0.184	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	139	169.5	-65.8	-91.9	0	0	0	110.8	V130 L131 A132 G133 E159 T163 N170 Q173 R177	V130-F161 HydrophobicContact CG1-CD2 3.63Å; V130-F161 HydrophobicContact CG1-CE2 4.03Å; L131-F161 PolarHBondContact O-N 3.37Å; A132-F161 CarbonylContact C-O 3.5Å; A132-F161 VanDerWaalsContact CA-O 3.29Å; A132-F161 WeakPolarHBondContact CA-O 3.46Å; G133-F161 PolarHBondContact N-O 2.87Å; E159-F161 HydrophobicContact CB-CE2 4.49Å; F161-T163 HydrophobicContact CB-CG2 4.01Å; F161-N170 HydrophobicContact CD1-CB 4.34Å; F161-Q173 HydrophobicContact CE1-CB 4.35Å; F161-R177 HydrophobicContact CE2-CB 3.94Å; F161-R177 HydrophobicContact CE2-CG 3.91Å; F161-R177 HydrophobicContact CZ-CB 3.87Å; F161-R177 HydrophobicContact CZ-CG 3.97Å
162	E	98.6	Very high	97.9	Very high	25 Å²	25	51.2 Å²	51.2	12%	0.117	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	138.6	154.4	-70.7	-155.4	155.9	0	0	110	G133 C136 R142 V146 F160 N170	G133-E162 CarbonylContact O-C 3.54Å; G133-E162 VanDerWaalsContact O-CA 3.27Å; G133-E162 WeakPolarHBondContact O-CA 3.24Å; C136-E162 HydrophobicContact CB-CB 4.09Å; R142-E162 IonicContact CZ-OE1 2.65Å; R142-E162 IonicContact CZ-OE2 2.85Å; R142-E162 IonicContact NH1-OE1 2.79Å; R142-E162 PolarHBondContact NH1-OE1 2.83Å; R142-E162 IonicContact NH1-OE2 2.6Å; R142-E162 IonicContact NH2-OE1 3.55Å; R142-E162 IonicContact NH2-OE2 2.81Å; R142-E162 PolarHBondContact NH2-OE2 3.45Å; V146-E162 HydrophobicContact CG1-CG 4.29Å; F160-E162 HydrophobicContact CE1-CG 4.05Å; F160-E162 HydrophobicContact CZ-CG 3.65Å; E162-N170 VanDerWaalsContact O-CB 3.3Å; E162-N170 WeakPolarHBondContact O-CB 3.45Å; E162-N170 PolarHBondContact O-ND2 3.28Å
163	T	98.8	Very high	97.9	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	155	-170.9	62.5	0	0	0	0	111.8	F37 A132 G133 N134 K135 C136 F161 I169 N170 T174	F37-T163 HydrophobicContact CE2-CG2 3.84Å; F37-T163 HydrophobicContact CZ-CG2 4.22Å; A132-T163 HydrophobicContact CB-CG2 4.38Å; G133-T163 PolarHBondContact O-N 2.96Å; N134-T163 CarbonylContact C-O 3.49Å; N134-T163 VanDerWaalsContact CA-O 3.3Å; N134-T163 WeakPolarHBondContact CA-O 3.42Å; N134-T163 WeakPolarHBondContact CA-OG1 3.39Å; N134-T163 PolarHBondContact OD1-O 3.43Å; N134-T163 PolarHBondContact OD1-OG1 2.82Å; K135-T163 PolarHBondContact N-O 2.77Å; C136-T163 PolarHBondContact N-O 2.92Å; C136-T163 PolarHBondContact SG-O 3.38Å; F161-T163 HydrophobicContact CB-CG2 4.01Å; T163-I169 VanDerWaalsContact CA-O 3.27Å; T163-I169 WeakPolarHBondContact CA-O 3.45Å; T163-N170 HydrophobicContact CG2-CB 3.94Å; T163-T174 WeakPolarHBondContact CG2-OG1 3.22Å
164	S	98.4	Very high	97.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-135	114.3	166.3	174.9	0	0	0	0	109.3	D137 K166 D167 N168 I169 V171	D137-S164 VanDerWaalsContact OD1-CB 3.32Å; D137-S164 WeakPolarHBondContact OD1-CB 3.38Å; D137-S164 PolarHBondContact OD1-OG 2.84Å; S164-K166 PolarHBondContact O-N 2.79Å; S164-K166 PolarHBondContact OG-N 2.85Å; S164-D167 PolarHBondContact OG-N 2.84Å; S164-N168 CarbonylContact O-C 3.47Å; S164-N168 WeakPolarHBondContact O-CA 3.36Å; S164-N168 PolarHBondContact O-N 3.48Å; S164-I169 PolarHBondContact N-O 3.27Å; S164-I169 PolarHBondContact O-N 2.79Å; S164-V171 WeakPolarHBondContact O-CG2 3.45Å
165	A	97.4	Very high	97.9	Very high	3 Å²	3	48.6 Å²	48.6	3%	0.025	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-30.3	169.5	0	0	0	0	0	112.2	F37 R40 F46 N134	F37-A165 HydrophobicContact CB-CB 4.31Å; F37-A165 HydrophobicContact CD2-CB 4.43Å; R40-A165 HydrophobicContact CB-CB 4.45Å; R40-A165 WeakPolarHBondContact CG-O 3.42Å; R40-A165 PolarHBondContact NE-O 2.84Å; F46-A165 HydrophobicContact CD2-CB 4.27Å; F46-A165 HydrophobicContact CE2-CB 4.37Å; N134-A165 PolarHBondContact OD1-N 2.93Å
166	K	97.1	Very high	97.9	Very high	99 Å²	99	46 Å²	46	43%	0.43	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-55.2	-179.2	-177.4	-164.3	-179.9	-171.9	0	110.7	R40 F46 D137 S164 N168	R40-K166 PolarHBondContact NH2-O 3.19Å; F46-K166 HydrophobicContact CD1-CB 4.42Å; F46-K166 HydrophobicContact CD1-CG 4.2Å; F46-K166 HydrophobicContact CD2-CB 4.32Å; F46-K166 HydrophobicContact CE1-CB 4.02Å; F46-K166 HydrophobicContact CE1-CG 3.75Å; F46-K166 HydrophobicContact CE2-CB 3.89Å; F46-K166 HydrophobicContact CZ-CB 3.73Å; F46-K166 HydrophobicContact CZ-CG 3.94Å; D137-K166 HydrophobicContact CB-CD 4.46Å; D137-K166 WeakPolarHBondContact OD2-CD 3.39Å; D137-K166 IonicContact OD2-NZ 2.88Å; D137-K166 PolarHBondContact OD2-NZ 2.81Å; S164-K166 PolarHBondContact O-N 2.79Å; S164-K166 PolarHBondContact OG-N 2.85Å; K166-N168 VanDerWaalsContact C-N 3.32Å
167	D	97.8	Very high	98	Very high	91 Å²	91	47.7 Å²	47.7	49%	0.487	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	3.8	-175.1	-66.9	-2.4	0	0	0	112.7	D137 S164 I169	D137-D167 HydrophobicContact CB-CB 4.5Å; D137-D167 VanDerWaalsContact CB-OD2 3.25Å; D137-D167 WeakPolarHBondContact CB-OD2 3.27Å; S164-D167 PolarHBondContact OG-N 2.84Å; D167-I169 VanDerWaalsContact C-N 3.29Å; D167-I169 HydrophobicContact CB-CD1 3.93Å; D167-I169 HydrophobicContact CB-CG1 3.98Å; D167-I169 PolarHBondContact O-N 2.55Å
168	N	97.7	Very high	98.1	Very high	71 Å²	71	44.5 Å²	44.5	38%	0.38	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	37.1	-178.9	-162.8	23	0	0	0	113.7	R40 S164 K166	R40-N168 WeakPolarHBondContact CD-OD1 3.28Å; R40-N168 HydrophobicContact CG-CB 4.33Å; R40-N168 WeakPolarHBondContact CG-OD1 3.49Å; S164-N168 CarbonylContact O-C 3.47Å; S164-N168 WeakPolarHBondContact O-CA 3.36Å; S164-N168 PolarHBondContact O-N 3.48Å; K166-N168 VanDerWaalsContact C-N 3.32Å
169	I	98.6	Very high	98.1	Very high	67 Å²	67	43.3 Å²	43.3	34%	0.344	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-86.4	124.6	179.1	-59.5	171.6	0	0	0	109	T163 S164 D167 V171	T163-I169 VanDerWaalsContact CA-O 3.27Å; T163-I169 WeakPolarHBondContact CA-O 3.45Å; S164-I169 PolarHBondContact N-O 3.27Å; S164-I169 PolarHBondContact O-N 2.79Å; D167-I169 VanDerWaalsContact C-N 3.29Å; D167-I169 HydrophobicContact CB-CD1 3.93Å; D167-I169 HydrophobicContact CB-CG1 3.98Å; D167-I169 PolarHBondContact O-N 2.55Å; I169-V171 PolarHBondContact O-N 3.34Å
170	N	98.4	Very high	98	Very high	52 Å²	52	42.1 Å²	42.1	28%	0.278	20%	0.2	S	C	.	.	S	Bend	trans	55.7	15.1	175.3	-65	-29.7	0	0	0	116.2	F161 E162 T163 Q173 T174	F161-N170 HydrophobicContact CD1-CB 4.34Å; E162-N170 VanDerWaalsContact O-CB 3.3Å; E162-N170 WeakPolarHBondContact O-CB 3.45Å; E162-N170 PolarHBondContact O-ND2 3.28Å; T163-N170 HydrophobicContact CG2-CB 3.94Å; N170-Q173 VanDerWaalsContact CA-OE1 3.28Å; N170-T174 WeakPolarHBondContact O-CB 3.49Å; N170-T174 PolarHBondContact O-N 3.24Å; N170-T174 PolarHBondContact O-OG1 3.1Å
171	V	98.4	Very high	97.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.5	-56.7	-179.3	179.9	0	0	0	0	110.1	F37 R40 S164 I169 Q173 T174 F175	F37-V171 HydrophobicContact CD2-CB 4.45Å; F37-V171 HydrophobicContact CD2-CG1 4.1Å; F37-V171 HydrophobicContact CD2-CG2 3.95Å; F37-V171 HydrophobicContact CE1-CG1 4.37Å; F37-V171 HydrophobicContact CE2-CB 3.92Å; F37-V171 HydrophobicContact CE2-CG1 3.84Å; F37-V171 HydrophobicContact CE2-CG2 3.68Å; F37-V171 HydrophobicContact CG-CG1 4.46Å; F37-V171 HydrophobicContact CZ-CB 4.29Å; F37-V171 HydrophobicContact CZ-CG1 3.99Å; R40-V171 HydrophobicContact CB-CG1 4.32Å; R40-V171 HydrophobicContact CG-CB 4.27Å; R40-V171 HydrophobicContact CG-CG1 4.01Å; R40-V171 HydrophobicContact CG-CG2 3.89Å; S164-V171 WeakPolarHBondContact O-CG2 3.45Å; I169-V171 PolarHBondContact O-N 3.34Å; V171-Q173 VanDerWaalsContact C-N 3.35Å; V171-Q173 PolarHBondContact O-N 3.46Å; V171-T174 PolarHBondContact O-N 3.13Å; V171-F175 HydrophobicContact CG1-CE2 4.46Å; V171-F175 VanDerWaalsContact O-CD2 3.31Å; V171-F175 WeakPolarHBondContact O-CD2 3.43Å
172	K	97.4	Very high	97.8	Very high	116 Å²	116	40.1 Å²	40.1	50%	0.504	19%	0.193	S	C	.	.	H	α-helix	trans	-62.7	-42.7	179.8	-173.1	177.5	-175.9	-101.8	0	111.7	Y41 T174 F175 E176	Y41-K172 HydrophobicContact CE2-CG 4.45Å; K172-T174 VanDerWaalsContact C-N 3.34Å; K172-T174 PolarHBondContact O-N 3.25Å; K172-F175 PolarHBondContact O-N 3.09Å; K172-F175 VanDerWaalsContact O-N 3.16Å; K172-E176 WeakPolarHBondContact CE-OE1 3.38Å; K172-E176 HydrophobicContact CG-CG 4.24Å; K172-E176 IonicContact NZ-OE1 2.87Å; K172-E176 PolarHBondContact NZ-OE1 2.85Å; K172-E176 IonicContact NZ-OE2 3.84Å; K172-E176 WeakPolarHBondContact O-CG 3.18Å; K172-E176 PolarHBondContact O-N 2.81Å
173	Q	98.3	Very high	97.5	Very high	87 Å²	87	40.1 Å²	40.1	41%	0.407	20%	0.195	S	C	.	.	H	α-helix	trans	-60.4	-41.5	-178.4	-65.6	87.2	-30.5	0	0	111.9	F161 N170 V171 F175 E176 R177	F161-Q173 HydrophobicContact CE1-CB 4.35Å; N170-Q173 VanDerWaalsContact CA-OE1 3.28Å; V171-Q173 VanDerWaalsContact C-N 3.35Å; V171-Q173 PolarHBondContact O-N 3.46Å; Q173-F175 PolarHBondContact O-N 2.95Å; Q173-E176 PolarHBondContact O-N 2.69Å; Q173-R177 WeakPolarHBondContact O-CB 3.29Å; Q173-R177 PolarHBondContact O-N 2.97Å
174	T	98.6	Very high	97.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.8	-46.1	175.2	-60.7	0	0	0	0	111.5	F37 I98 V130 T163 N170 V171 K172 L178	F37-T174 HydrophobicContact CE1-CG2 4.37Å; F37-T174 HydrophobicContact CZ-CG2 4.05Å; I98-T174 HydrophobicContact CD1-CG2 4.01Å; I98-T174 HydrophobicContact CG1-CG2 4.3Å; I98-T174 HydrophobicContact CG2-CG2 4.17Å; V130-T174 HydrophobicContact CG1-CG2 3.93Å; T163-T174 WeakPolarHBondContact CG2-OG1 3.22Å; N170-T174 WeakPolarHBondContact O-CB 3.49Å; N170-T174 PolarHBondContact O-N 3.24Å; N170-T174 PolarHBondContact O-OG1 3.1Å; V171-T174 PolarHBondContact O-N 3.13Å; K172-T174 VanDerWaalsContact C-N 3.34Å; K172-T174 PolarHBondContact O-N 3.25Å; T174-L178 WeakPolarHBondContact O-CB 3.35Å; T174-L178 PolarHBondContact O-N 2.84Å; T174-L178 VanDerWaalsContact O-N 3.09Å
175	F	98.3	Very high	96.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-69.1	-42.7	178.2	-77.5	-81.3	0	0	0	112.5	L24 I26 F37 Y41 I74 I98 V171 K172 Q173 L178 V179	L24-F175 HydrophobicContact CD1-CD1 4.31Å; I26-F175 HydrophobicContact CD1-CZ 4.01Å; F37-F175 AromaticContact CD1-CE2 3.67Å; F37-F175 HydrophobicContact CD1-CE2 3.67Å; F37-F175 HydrophobicContact CD1-CZ 4.02Å; F37-F175 AromaticContact CE1-CD2 3.96Å; F37-F175 HydrophobicContact CE1-CD2 3.96Å; F37-F175 AromaticContact CE1-CE2 3.23Å; F37-F175 HydrophobicContact CE1-CE2 3.23Å; F37-F175 AromaticContact CE1-CZ 3.83Å; F37-F175 HydrophobicContact CE1-CZ 3.83Å; F37-F175 HydrophobicContact CZ-CE2 4.12Å; Y41-F175 VanDerWaalsContact CB-CE2 3.42Å; Y41-F175 HydrophobicContact CD1-CD1 4.02Å; Y41-F175 AromaticContact CD1-CD2 3.65Å; Y41-F175 HydrophobicContact CD1-CD2 3.65Å; Y41-F175 AromaticContact CD1-CE1 3.99Å; Y41-F175 HydrophobicContact CD1-CE1 3.99Å; Y41-F175 AromaticContact CD1-CE2 3.63Å; Y41-F175 HydrophobicContact CD1-CE2 3.63Å; Y41-F175 AromaticContact CD1-CG 3.85Å; Y41-F175 HydrophobicContact CD1-CG 3.85Å; Y41-F175 AromaticContact CD1-CZ 3.81Å; Y41-F175 HydrophobicContact CD1-CZ 3.81Å; Y41-F175 HydrophobicContact CD2-CB 4.24Å; Y41-F175 AromaticContact CD2-CD2 3.45Å; Y41-F175 HydrophobicContact CD2-CD2 3.45Å; Y41-F175 VanDerWaalsContact CD2-CD2 3.45Å; Y41-F175 AromaticContact CD2-CE2 3.99Å; Y41-F175 HydrophobicContact CD2-CE2 3.99Å; Y41-F175 AromaticContact CD2-CG 3.98Å; Y41-F175 HydrophobicContact CD2-CG 3.98Å; Y41-F175 HydrophobicContact CE1-CB 4.18Å; Y41-F175 AromaticContact CE1-CD1 3.86Å; Y41-F175 HydrophobicContact CE1-CD1 3.86Å; Y41-F175 HydrophobicContact CE1-CD2 4.02Å; Y41-F175 HydrophobicContact CE1-CE1 4.22Å; Y41-F175 HydrophobicContact CE1-CE2 4.37Å; Y41-F175 AromaticContact CE1-CG 3.75Å; Y41-F175 HydrophobicContact CE1-CG 3.75Å; Y41-F175 HydrophobicContact CE1-CZ 4.47Å; Y41-F175 HydrophobicContact CE2-CB 3.76Å; Y41-F175 AromaticContact CE2-CD2 3.86Å; Y41-F175 HydrophobicContact CE2-CD2 3.86Å; Y41-F175 AromaticContact CE2-CG 3.91Å; Y41-F175 HydrophobicContact CE2-CG 3.91Å; Y41-F175 AromaticContact CG-CD2 3.34Å; Y41-F175 HydrophobicContact CG-CD2 3.34Å; Y41-F175 AromaticContact CG-CE2 3.39Å; Y41-F175 HydrophobicContact CG-CE2 3.39Å; Y41-F175 AromaticContact CG-CG 3.96Å; Y41-F175 HydrophobicContact CG-CG 3.96Å; Y41-F175 HydrophobicContact CG-CZ 4.05Å; Y41-F175 AromaticContact CZ-CG 3.79Å; I74-F175 HydrophobicContact CD1-CD1 4.26Å; I74-F175 HydrophobicContact CD1-CE1 3.82Å; I74-F175 HydrophobicContact CG1-CE1 4.42Å; I74-F175 HydrophobicContact CG2-CE1 4.01Å; I74-F175 HydrophobicContact CG2-CZ 4.49Å; I98-F175 HydrophobicContact CD1-CD1 3.71Å; I98-F175 HydrophobicContact CD1-CD2 4.36Å; I98-F175 HydrophobicContact CD1-CE1 3.4Å; I98-F175 VanDerWaalsContact CD1-CE1 3.4Å; I98-F175 HydrophobicContact CD1-CE2 4.11Å; I98-F175 HydrophobicContact CD1-CG 4.17Å; I98-F175 HydrophobicContact CD1-CZ 3.63Å; V171-F175 HydrophobicContact CG1-CE2 4.46Å; V171-F175 VanDerWaalsContact O-CD2 3.31Å; V171-F175 WeakPolarHBondContact O-CD2 3.43Å; K172-F175 PolarHBondContact O-N 3.09Å; K172-F175 VanDerWaalsContact O-N 3.16Å; Q173-F175 PolarHBondContact O-N 2.95Å; F175-L178 PolarHBondContact O-N 2.84Å; F175-V179 VanDerWaalsContact O-CG2 3.32Å; F175-V179 WeakPolarHBondContact O-CG2 3.26Å; F175-V179 PolarHBondContact O-N 3.04Å
176	E	97.3	Very high	96.5	Very high	79 Å²	79	48.9 Å²	48.9	37%	0.369	24%	0.238	S	C	.	.	H	α-helix	trans	-60.8	-47.1	177.3	-73.3	176.5	159.2	0	0	110.7	K172 Q173 L178 V179 D180	K172-E176 WeakPolarHBondContact CE-OE1 3.38Å; K172-E176 HydrophobicContact CG-CG 4.24Å; K172-E176 IonicContact NZ-OE1 2.87Å; K172-E176 PolarHBondContact NZ-OE1 2.85Å; K172-E176 IonicContact NZ-OE2 3.84Å; K172-E176 WeakPolarHBondContact O-CG 3.18Å; K172-E176 PolarHBondContact O-N 2.81Å; Q173-E176 PolarHBondContact O-N 2.69Å; E176-L178 VanDerWaalsContact C-N 3.33Å; E176-L178 PolarHBondContact O-N 3.18Å; E176-V179 WeakPolarHBondContact O-CB 3.4Å; E176-V179 PolarHBondContact O-N 3.32Å; E176-D180 PolarHBondContact O-N 2.78Å
177	R	98.1	Very high	96	Very high	68 Å²	68	46.9 Å²	46.9	26%	0.257	24%	0.236	S	C	.	.	H	α-helix	trans	-62.1	-41	177.9	-176.1	60.2	-177.8	137.3	-0.9	111.9	E159 F161 Q173 D180 L181	E159-R177 HydrophobicContact CG-CG 4.34Å; E159-R177 IonicContact OE1-CZ 3.3Å; E159-R177 IonicContact OE1-NE 3.53Å; E159-R177 PolarHBondContact OE1-NE 3.07Å; E159-R177 IonicContact OE1-NH2 3.6Å; E159-R177 PolarHBondContact OE1-NH2 3.24Å; F161-R177 HydrophobicContact CE2-CB 3.94Å; F161-R177 HydrophobicContact CE2-CG 3.91Å; F161-R177 HydrophobicContact CZ-CB 3.87Å; F161-R177 HydrophobicContact CZ-CG 3.97Å; Q173-R177 WeakPolarHBondContact O-CB 3.29Å; Q173-R177 PolarHBondContact O-N 2.97Å; R177-D180 WeakPolarHBondContact O-CB 3.2Å; R177-D180 PolarHBondContact O-N 2.64Å; R177-D180 VanDerWaalsContact O-N 3.17Å; R177-L181 WeakPolarHBondContact O-CG 3.22Å; R177-L181 PolarHBondContact O-N 2.78Å
178	L	98.2	Very high	95.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.3	-42.5	176.1	-179.9	58.5	0	0	0	111.9	L24 I98 Q128 V130 T174 F175 E176 D180 L181 I182	L24-L178 HydrophobicContact CD1-CD2 4.29Å; L24-L178 HydrophobicContact CD2-CD2 4.04Å; L24-L178 HydrophobicContact CD2-CG 4.35Å; I98-L178 HydrophobicContact CD1-CD2 4.28Å; I98-L178 HydrophobicContact CG1-CD2 3.65Å; Q128-L178 HydrophobicContact CB-CD1 3.9Å; V130-L178 HydrophobicContact CG2-CB 3.95Å; V130-L178 HydrophobicContact CG2-CD1 4.08Å; T174-L178 WeakPolarHBondContact O-CB 3.35Å; T174-L178 PolarHBondContact O-N 2.84Å; T174-L178 VanDerWaalsContact O-N 3.09Å; F175-L178 PolarHBondContact O-N 2.84Å; E176-L178 VanDerWaalsContact C-N 3.33Å; E176-L178 PolarHBondContact O-N 3.18Å; L178-D180 PolarHBondContact O-N 3.44Å; L178-L181 PolarHBondContact O-N 2.82Å; L178-I182 HydrophobicContact CD1-CD1 4.28Å; L178-I182 HydrophobicContact CD1-CG1 4.48Å; L178-I182 HydrophobicContact CG-CD1 4.15Å; L178-I182 WeakPolarHBondContact O-CD1 3.39Å; L178-I182 VanDerWaalsContact O-CG1 3.26Å; L178-I182 WeakPolarHBondContact O-CG1 3.26Å; L178-I182 PolarHBondContact O-N 3.02Å; L178-I182 VanDerWaalsContact O-N 3.11Å
179	V	97.4	Very high	94.3	Very high	6 Å²	6	46.9 Å²	46.9	4%	0.036	24%	0.237	C	C	.	.	H	α-helix	trans	-59.6	-40	173.2	168.6	0	0	0	0	110.6	F22 K65 I70 L72 F175 E176 I182 C183	F22-V179 HydrophobicContact CD2-CG1 4.45Å; F22-V179 HydrophobicContact CD2-CG2 4.41Å; F22-V179 HydrophobicContact CE2-CG1 4.05Å; K65-V179 HydrophobicContact CD-CG1 4.23Å; I70-V179 HydrophobicContact CD1-CG1 4.1Å; L72-V179 HydrophobicContact CD1-CG2 3.95Å; L72-V179 HydrophobicContact CD2-CG2 3.62Å; L72-V179 HydrophobicContact CG-CG2 4.44Å; F175-V179 VanDerWaalsContact O-CG2 3.32Å; F175-V179 WeakPolarHBondContact O-CG2 3.26Å; F175-V179 PolarHBondContact O-N 3.04Å; E176-V179 WeakPolarHBondContact O-CB 3.4Å; E176-V179 PolarHBondContact O-N 3.32Å; V179-I182 PolarHBondContact O-N 2.73Å; V179-C183 PolarHBondContact O-N 2.97Å; V179-C183 PolarHBondContact O-SG 3.4Å; V179-C183 VanDerWaalsContact O-SG 3.37Å
180	D	96.4	Very high	92.7	Very high	48 Å²	48	49.9 Å²	49.9	26%	0.257	25%	0.253	S	S	.	.	H	α-helix	trans	-61.8	-51.7	177.7	-61	-18.6	0	0	0	112.3	K65 E176 R177 L178 I182 C183 D184	K65-D180 WeakPolarHBondContact CD-OD1 3.12Å; K65-D180 WeakPolarHBondContact CE-OD1 3.29Å; K65-D180 VanDerWaalsContact NZ-CA 3.28Å; K65-D180 VanDerWaalsContact NZ-CG 3.27Å; K65-D180 IonicContact NZ-OD1 3.55Å; K65-D180 PolarHBondContact NZ-OD1 3.34Å; E176-D180 PolarHBondContact O-N 2.78Å; R177-D180 WeakPolarHBondContact O-CB 3.2Å; R177-D180 PolarHBondContact O-N 2.64Å; R177-D180 VanDerWaalsContact O-N 3.17Å; L178-D180 PolarHBondContact O-N 3.44Å; D180-I182 PolarHBondContact O-N 3.24Å; D180-C183 WeakPolarHBondContact O-CB 3.36Å; D180-C183 PolarHBondContact O-N 2.95Å; D180-C183 VanDerWaalsContact O-N 3.09Å; D180-D184 PolarHBondContact O-N 3.18Å
181	L	96.2	Very high	90.9	Very high	26 Å²	26	54.2 Å²	54.2	14%	0.136	28%	0.276	C	S	.	.	H	α-helix	trans	-55.5	-41.3	177.3	-67.8	172.1	0	0	0	112.1	Q128 V130 E159 R177 L178 D184 K185	Q128-L181 HydrophobicContact CB-CB 3.98Å; Q128-L181 HydrophobicContact CG-CB 3.92Å; V130-L181 HydrophobicContact CG2-CD1 3.95Å; E159-L181 HydrophobicContact CB-CD1 4.49Å; E159-L181 HydrophobicContact CG-CD1 3.94Å; E159-L181 HydrophobicContact CG-CD2 4.38Å; R177-L181 WeakPolarHBondContact O-CG 3.22Å; R177-L181 PolarHBondContact O-N 2.78Å; L178-L181 PolarHBondContact O-N 2.82Å; L181-D184 PolarHBondContact O-N 3.05Å; L181-K185 WeakPolarHBondContact O-CB 3.33Å; L181-K185 PolarHBondContact O-N 3.33Å
182	I	95.5	Very high	88.8	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-66.3	-43.7	178.7	-65.8	165.8	0	0	0	110.8	F22 L24 M95 Q128 L178 V179 D180 K185 M186	F22-I182 HydrophobicContact CD1-CG2 4.13Å; F22-I182 HydrophobicContact CD2-CB 4.26Å; F22-I182 HydrophobicContact CD2-CD1 4.1Å; F22-I182 HydrophobicContact CD2-CG2 3.89Å; F22-I182 HydrophobicContact CE1-CG2 3.97Å; F22-I182 HydrophobicContact CE2-CB 4.02Å; F22-I182 HydrophobicContact CE2-CG2 3.68Å; F22-I182 HydrophobicContact CG-CG2 4.14Å; F22-I182 HydrophobicContact CZ-CG2 3.75Å; L24-I182 HydrophobicContact CD2-CD1 3.47Å; L24-I182 VanDerWaalsContact CD2-CD1 3.47Å; M95-I182 HydrophobicContact CB-CD1 4.12Å; M95-I182 HydrophobicContact CB-CG1 4.47Å; M95-I182 HydrophobicContact CB-CG2 4.21Å; M95-I182 HydrophobicContact CE-CG2 3.68Å; Q128-I182 HydrophobicContact CB-CG1 4.02Å; Q128-I182 HydrophobicContact CG-CG1 3.92Å; L178-I182 HydrophobicContact CD1-CD1 4.28Å; L178-I182 HydrophobicContact CD1-CG1 4.48Å; L178-I182 HydrophobicContact CG-CD1 4.15Å; L178-I182 WeakPolarHBondContact O-CD1 3.39Å; L178-I182 VanDerWaalsContact O-CG1 3.26Å; L178-I182 WeakPolarHBondContact O-CG1 3.26Å; L178-I182 PolarHBondContact O-N 3.02Å; L178-I182 VanDerWaalsContact O-N 3.11Å; V179-I182 PolarHBondContact O-N 2.73Å; D180-I182 PolarHBondContact O-N 3.24Å; I182-K185 PolarHBondContact O-N 3.35Å; I182-M186 HydrophobicContact CG2-CE 4.33Å; I182-M186 WeakPolarHBondContact O-CG 3.41Å; I182-M186 PolarHBondContact O-N 3.25Å
183	C	93.9	Very high	86	Confident	26 Å²	26	59.4 Å²	59.4	18%	0.176	31%	0.314	C	S	.	.	H	α-helix	trans	-60.7	-46.2	175.6	-74.1	0	0	0	0	111.8	V179 D180 K185 M186 S187	V179-C183 PolarHBondContact O-N 2.97Å; V179-C183 PolarHBondContact O-SG 3.4Å; V179-C183 VanDerWaalsContact O-SG 3.37Å; D180-C183 WeakPolarHBondContact O-CB 3.36Å; D180-C183 PolarHBondContact O-N 2.95Å; D180-C183 VanDerWaalsContact O-N 3.09Å; C183-K185 VanDerWaalsContact C-N 3.35Å; C183-K185 PolarHBondContact O-N 3.1Å; C183-M186 PolarHBondContact O-N 3.45Å; C183-S187 PolarHBondContact O-N 3.02Å
184	D	93.2	Very high	83.2	Confident	73 Å²	73	61.7 Å²	61.7	39%	0.39	34%	0.336	S	S	.	.	H	α-helix	trans	-61.1	-47	-179.9	-62.8	-14.5	0	0	0	109.6	D180 L181 M186 S187 E188	D180-D184 PolarHBondContact O-N 3.18Å; L181-D184 PolarHBondContact O-N 3.05Å; D184-M186 PolarHBondContact O-N 3.26Å; D184-S187 PolarHBondContact O-N 3.27Å; D184-S187 VanDerWaalsContact O-N 3.08Å; D184-S187 PolarHBondContact O-OG 3.19Å; D184-E188 PolarHBondContact O-N 2.95Å; D184-E188 VanDerWaalsContact O-N 3.08Å
185	K	91.6	Very high	80.6	Confident	66 Å²	66	65.3 Å²	65.3	29%	0.287	37%	0.366	S	S	.	.	H	α-helix	trans	-61.5	-40	177.5	-165.6	73	-153.3	156	0	113.4	N126 Q128 L181 I182 C183 S187 E188 S189	N126-K185 HydrophobicContact CB-CG 4.22Å; N126-K185 WeakPolarHBondContact OD1-CE 3.39Å; Q128-K185 HydrophobicContact CG-CB 4.42Å; L181-K185 WeakPolarHBondContact O-CB 3.33Å; L181-K185 PolarHBondContact O-N 3.33Å; I182-K185 PolarHBondContact O-N 3.35Å; C183-K185 VanDerWaalsContact C-N 3.35Å; C183-K185 PolarHBondContact O-N 3.1Å; K185-S187 VanDerWaalsContact C-N 3.32Å; K185-E188 IonicContact NZ-OE2 2.64Å; K185-E188 PolarHBondContact NZ-OE2 3.21Å; K185-S189 PolarHBondContact O-N 3.22Å
186	M	88.8	Confident	78	Confident	47 Å²	47	71.4 Å²	71.4	23%	0.232	40%	0.403	C	S	.	.	H	α-helix	trans	-65.4	-37.8	175.1	-74.9	-168.2	-55.4	0	0	111.5	Y20 F22 M95 I182 C183 D184 S189 L190	Y20-M186 HydrophobicContact CD1-CE 4.48Å; F22-M186 HydrophobicContact CE1-CE 3.37Å; F22-M186 HydrophobicContact CE1-SD 4Å; F22-M186 HydrophobicContact CZ-CE 3.3Å; F22-M186 HydrophobicContact CZ-SD 4.45Å; M95-M186 HydrophobicContact CE-CG 4.3Å; M95-M186 HydrophobicContact CE-SD 3.62Å; I182-M186 HydrophobicContact CG2-CE 4.33Å; I182-M186 WeakPolarHBondContact O-CG 3.41Å; I182-M186 PolarHBondContact O-N 3.25Å; C183-M186 PolarHBondContact O-N 3.45Å; D184-M186 PolarHBondContact O-N 3.26Å; M186-S189 PolarHBondContact O-N 2.92Å; M186-S189 PolarHBondContact O-OG 3.07Å; M186-L190 WeakPolarHBondContact O-CG 3.33Å; M186-L190 PolarHBondContact O-N 3.32Å
187	S	86.8	Confident	75.3	Confident	58 Å²	58	74.2 Å²	74.2	41%	0.406	43%	0.426	S	S	.	.	H	α-helix	trans	-64.6	-43.9	178.4	74	0	0	0	0	112.2	C183 D184 K185 S189 L190 D191	C183-S187 PolarHBondContact O-N 3.02Å; D184-S187 PolarHBondContact O-N 3.27Å; D184-S187 VanDerWaalsContact O-N 3.08Å; D184-S187 PolarHBondContact O-OG 3.19Å; K185-S187 VanDerWaalsContact C-N 3.32Å; S187-S189 VanDerWaalsContact C-N 3.25Å; S187-S189 PolarHBondContact O-N 3.28Å; S187-L190 PolarHBondContact O-N 3.33Å; S187-L190 VanDerWaalsContact O-N 3.08Å; S187-D191 PolarHBondContact O-N 3.41Å
188	E	84.4	Confident	72.3	Confident	106 Å²	106	77.8 Å²	77.8	50%	0.495	46%	0.455	S	S	.	.	H	α-helix	trans	-58	-37.1	175.7	-68.1	176	175.4	0	0	112.7	D184 K185 L190 D191 T192	D184-E188 PolarHBondContact O-N 2.95Å; D184-E188 VanDerWaalsContact O-N 3.08Å; K185-E188 IonicContact NZ-OE2 2.64Å; K185-E188 PolarHBondContact NZ-OE2 3.21Å; E188-L190 VanDerWaalsContact C-N 3.3Å; E188-L190 PolarHBondContact O-N 2.94Å; E188-D191 PolarHBondContact O-N 3.09Å; E188-T192 PolarHBondContact O-OG1 3.49Å
189	S	75.3	Confident	69.1	Low	55 Å²	55	81.4 Å²	81.4	39%	0.385	49%	0.492	S	S	.	.	H	α-helix	trans	-72.7	-20.5	180	67.9	0	0	0	0	114	K185 M186 S187	K185-S189 PolarHBondContact O-N 3.22Å; M186-S189 PolarHBondContact O-N 2.92Å; M186-S189 PolarHBondContact O-OG 3.07Å; S187-S189 VanDerWaalsContact C-N 3.25Å; S187-S189 PolarHBondContact O-N 3.28Å
190	L	64.5	Low	66.1	Low	131 Å²	131	86 Å²	86	69%	0.686	53%	0.531	S	S	*	.	H	α-helix	trans	-82.6	-27.6	177.3	-66.5	169.5	0	0	0	112	M186 S187 E188 T192	M186-L190 WeakPolarHBondContact O-CG 3.33Å; M186-L190 PolarHBondContact O-N 3.32Å; S187-L190 PolarHBondContact O-N 3.33Å; S187-L190 VanDerWaalsContact O-N 3.08Å; E188-L190 VanDerWaalsContact C-N 3.3Å; E188-L190 PolarHBondContact O-N 2.94Å; L190-T192 VanDerWaalsContact C-N 3.34Å
191	D	59.8	Low	63.4	Low	142 Å²	142	88.8 Å²	88.8	76%	0.759	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-10.4	-179.7	-68.3	-36.4	0	0	0	113.5	S187 E188	S187-D191 PolarHBondContact O-N 3.41Å; E188-D191 PolarHBondContact O-N 3.09Å
192	T	54.4	Low	60.6	Low	108 Å²	108	93.9 Å²	93.9	66%	0.663	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	-3.4	-176.7	19.2	0	0	0	0	115.3	E188 L190	E188-T192 PolarHBondContact O-OG1 3.49Å; L190-T192 VanDerWaalsContact C-N 3.34Å
193	D	39.8	Very low	57.7	Low	117 Å²	117	98.3 Å²	98.3	63%	0.626	62%	0.621	S	S	*	*			trans	-126.2	98.4	-179.7	-101.5	-38	0	0	0	112.7	A195	D193-A195 PolarHBondContact O-N 3.15Å; D193-A195 VanDerWaalsContact O-N 3.13Å
194	P	38.2	Very low	55.1	Low	135 Å²	135	106.7 Å²	106.7	88%	0.877	66%	0.655	S	S	*	*	S	Bend	trans	-78.4	19	171.7	31	-32.1	0	0	0	113.7
195	A	45.6	Very low	52.6	Low	76 Å²	76	111.5 Å²	111.5	63%	0.628	68%	0.68	S	S	*	*			trans	-135.2	35.3	-166.1	0	0	0	0	0	116.4	D193	D193-A195 PolarHBondContact O-N 3.15Å; D193-A195 VanDerWaalsContact O-N 3.13Å
196	V	43.6	Very low	50	Low	129 Å²	129	114.4 Å²	114.4	78%	0.782	70%	0.703	S	S	*	*			trans	-143.9	77.7	160.4	-168.6	0	0	0	0	111.2
197	T	39.5	Very low	47.6	Very low	138 Å²	138	119.5 Å²	119.5	85%	0.847	73%	0.731	S	S	*	*			trans	-125	87.3	159.4	-36.2	0	0	0	0	108.9
198	T	35.5	Very low	45.1	Very low	142 Å²	142	121.8 Å²	121.8	87%	0.871	75%	0.747	S	S	*	*			trans	-179.1	118.7	146.6	42.5	0	0	0	0	110.9
199	G	31.1	Very low	42.9	Very low	76 Å²	76	120.6 Å²	120.6	78%	0.784	76%	0.756	S	S	*	*			trans	111.7	91.1	137	0	0	0	0	0	120.5
200	A	33.7	Very low	41.2	Very low	102 Å²	102	123.6 Å²	123.6	84%	0.843	77%	0.774	S	S	*	*				73.9	156.3	129.2	0	0	0	0	0	121.8
201	P	39.8	Very low	40	Very low	108 Å²	108	123.4 Å²	123.4	70%	0.701	78%	0.78	S	S	*	*			trans	-108.1	162.7	-141.8	40.8	-35.3	0	0	0	116.8
202	T	38.4	Very low	39	Very low	133 Å²	133	124.9 Å²	124.9	82%	0.816	79%	0.787	S	S	*	*			trans	60.3	105.7	152.9	45.2	0	0	0	0	119.2
203	A	34.5	Very low	38.4	Very low	96 Å²	96	129 Å²	129	79%	0.793	80%	0.799	S	S	*	*			trans	-107.8	112.3	150.9	0	0	0	0	0	109.2	L205	A203-L205 PolarHBondContact O-N 3.5Å
204	K	38.7	Very low	38.9	Very low	203 Å²	203	132.1 Å²	132.1	88%	0.883	81%	0.81	S	S	*	*			trans	-67.2	123.3	166.3	-72	179.6	175.1	179.9	0	108.2
205	L	40.6	Very low	39.3	Very low	174 Å²	174	132 Å²	132	91%	0.911	81%	0.809	S	S	*	*			trans	-92.9	112.1	168.5	-75.1	162.4	0	0	0	108.3	A203	A203-L205 PolarHBondContact O-N 3.5Å
206	T	37.7	Very low	39.1	Very low	127 Å²	127	132.2 Å²	132.2	78%	0.779	82%	0.819	S	S	*	*			trans	-74.8	126.1	168.3	45.5	0	0	0	0	109.2
207	D	36.8	Very low	39	Very low	153 Å²	153	131.8 Å²	131.8	82%	0.818	82%	0.821	S	S	*	*			trans	-68.1	135.5	172.2	-165.1	7.6	0	0	0	110.2
208	S	34.9	Very low	39	Very low	106 Å²	106	132.2 Å²	132.2	74%	0.741	82%	0.818	S	S	*	*			trans	-149.8	91.9	171.5	-67.6	0	0	0	0	107.5
209	A	38.5	Very low	39.3	Very low	82 Å²	82	135 Å²	135	68%	0.678	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-65	141.4	170	0	0	0	0	0	110.7
210	P	39.8	Very low	39.7	Very low	118 Å²	118	138 Å²	138	77%	0.766	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-75.4	141.2	173.5	28.8	-30.5	0	0	0	111
211	P	39.6	Very low	40.1	Very low	127 Å²	127	139.8 Å²	139.8	83%	0.825	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-74.2	140	176.7	-12.7	27.8	0	0	0	112.6
212	L	38.8	Very low	40.1	Very low	173 Å²	173	141.6 Å²	141.6	91%	0.906	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-63.6	123.3	168.1	-70.5	157.6	0	0	0	110.6
213	Q	41.9	Very low	40.2	Very low	193 Å²	193	142.1 Å²	142.1	90%	0.902	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-80	122.4	167.1	-81.2	174.3	-5.6	0	0	110
214	Q	48.8	Very low	40.5	Very low	183 Å²	183	145 Å²	145	86%	0.855	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-83.6	149	165	-71.5	-171.6	-5.5	0	0	110.6
215	P	48.3	Very low	40.6	Very low	132 Å²	132	141.1 Å²	141.1	86%	0.857	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-83.3	119.8	175.7	32.2	-28.9	0	0	0	110.4
216	G	41.2	Very low	40.6	Very low	82 Å²	82	138.8 Å²	138.8	85%	0.845	85%	0.851	S	S	*	*			trans	-105.4	113.3	171.6	0	0	0	0	0	110.7
217	C	41.4	Very low	40.9	Very low	120 Å²	120	139.7 Å²	139.7	81%	0.811	86%	0.857	S	S	*	*			trans	-95.9	123.1	167.9	-164.2	0	0	0	0	108.4
218	N	38.8	Very low	41.2	Very low	147 Å²	147	138.6 Å²	138.6	79%	0.786	86%	0.86	S	S	*	*				176.3	148.1	129.5	-109.5	5.7	0	0	0	114.2
219	C	42.7	Very low	41.8	Very low	200 Å²	200	141.5 Å²	141.5	100%	1.351	87%	0.871	S	S	*	*			trans	84.6	0	166.8	-60.4	0	0	0	0	117.3

Retrieved 219 of 219 residues in 1563.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).