A0A087X3F9_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 (A0A3B3VRV0), UniProt , Accession A0A087X3F9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 219 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.4	Very low	37.1	Very low	251 Å²	251	146.3 Å²	146.3	100%	1.236	85%	0.854	S	S	*	*				0	104.2	0	-65	-161.4	-154.3	0	0	107.2
2	A	31.4	Very low	37.3	Very low	104 Å²	104	149 Å²	149	86%	0.86	85%	0.852	S	S	*	*			trans	-93.8	127.4	-173.8	0	0	0	0	0	110
3	S	33	Very low	38	Very low	115 Å²	115	144.8 Å²	144.8	80%	0.804	84%	0.837	S	S	*	*			trans	-70.7	126.5	171.6	-171.8	0	0	0	0	109.3
4	A	34.6	Very low	39	Very low	97 Å²	97	139.6 Å²	139.6	80%	0.802	81%	0.813	S	S	*	*			trans	-111.9	95.3	172.3	0	0	0	0	0	108.6	A6	A4-A6 PolarHBondContact O-N 3.35Å
5	T	36.2	Very low	40.2	Very low	129 Å²	129	137.4 Å²	137.4	79%	0.791	80%	0.797	S	S	*	*			trans	-71.7	106.1	160.1	42	0	0	0	0	108.2
6	A	36.5	Very low	41.4	Very low	87 Å²	87	137.3 Å²	137.3	72%	0.719	79%	0.787	S	S	*	*			trans	-93.6	108.7	166.7	0	0	0	0	0	108.6	A4 Y8	A4-A6 PolarHBondContact O-N 3.35Å; A6-Y8 PolarHBondContact O-N 3.15Å; A6-Y8 VanDerWaalsContact O-N 3.15Å
7	T	38.7	Very low	43.8	Very low	143 Å²	143	136.7 Å²	136.7	88%	0.877	78%	0.781	S	S	*	*			trans	-60.1	106.2	171	-10.7	0	0	0	0	108.9	G9	T7-G9 PolarHBondContact O-N 3.22Å; T7-G9 VanDerWaalsContact O-N 3.16Å
8	Y	38.8	Very low	46.2	Very low	234 Å²	234	131.2 Å²	131.2	92%	0.918	75%	0.747	S	S	*	*			trans	-72.2	106.5	167.9	-116.8	-94.6	0	0	0	107.8	A6	A6-Y8 PolarHBondContact O-N 3.15Å; A6-Y8 VanDerWaalsContact O-N 3.15Å
9	G	36.9	Very low	48.6	Very low	62 Å²	62	128.2 Å²	128.2	64%	0.639	73%	0.728	S	S	*	*			trans	-62.1	133.3	-177.9	0	0	0	0	0	112.4	T7 K11	T7-G9 PolarHBondContact O-N 3.22Å; T7-G9 VanDerWaalsContact O-N 3.16Å; G9-K11 PolarHBondContact O-N 3.16Å
10	Q	41.2	Very low	50.9	Low	191 Å²	191	125.6 Å²	125.6	89%	0.893	71%	0.707	S	S	*	*			trans	-42.7	115.8	162.7	-69.9	168.7	-25.5	0	0	111
11	K	39.9	Very low	53	Low	196 Å²	196	122.5 Å²	122.5	85%	0.852	69%	0.688	S	S	*	*			trans	-138.8	46.4	168.8	-149.4	-176.5	-174.6	-176.1	0	111.5	G9	G9-K11 PolarHBondContact O-N 3.16Å
12	E	39.4	Very low	55.6	Low	179 Å²	179	110.6 Å²	110.6	84%	0.836	63%	0.629	S	S	*	*	S	Bend	trans	-130.6	-5.7	177.2	-71.8	-169.7	158	0	0	114.6
13	S	47.3	Very low	58.7	Low	94 Å²	94	107.4 Å²	107.4	66%	0.657	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-86.3	-13.9	-174	59.8	0	0	0	0	115.2
14	S	51.6	Low	61.7	Low	72 Å²	72	102 Å²	102	50%	0.503	56%	0.557	S	S	.	*	G	3₁₀ helix	trans	-81	-15.4	-174.9	58.7	0	0	0	0	114.3	R69	S14-R69 VanDerWaalsContact O-CZ 3.29Å; S14-R69 PolarHBondContact O-NH1 2.96Å; S14-R69 PolarHBondContact O-NH2 3.47Å
15	D	57	Low	64.7	Low	107 Å²	107	97.3 Å²	97.3	57%	0.572	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-89.9	-10.1	-178.9	-80.4	-16.5	0	0	0	113.8	R69 K71	D15-R69 IonicContact OD1-NH2 3.86Å; D15-K71 VanDerWaalsContact O-CE 3.29Å; D15-K71 WeakPolarHBondContact O-CE 3.28Å; D15-K71 PolarHBondContact O-NZ 3.42Å
16	Q	59.5	Low	67.6	Low	135 Å²	135	91.2 Å²	91.2	63%	0.631	48%	0.481	S	S	*	.	S	Bend	trans	-86.5	-21.8	178.1	-69.5	-91.2	15.5	0	0	113.2	F18	Q16-F18 WeakPolarHBondContact O-CD1 3.2Å; Q16-F18 PolarHBondContact O-N 2.7Å
17	N	82.3	Confident	70.4	Confident	128 Å²	128	87 Å²	87	68%	0.684	45%	0.447	S	S	*	.			trans	-90.3	88.1	-170.8	-158.6	37.1	0	0	0	111.9	R69	N17-R69 VanDerWaalsContact O-CD 3.27Å; N17-R69 WeakPolarHBondContact O-CD 3.4Å; N17-R69 PolarHBondContact O-NH1 3.04Å
18	F	87.7	Confident	73.1	Confident	38 Å²	38	80.2 Å²	80.2	17%	0.167	41%	0.405	C	S	.	.			trans	-130	147.5	172.5	61.9	-87	0	0	0	110.1	Q16 Y20 M21 K71	Q16-F18 WeakPolarHBondContact O-CD1 3.2Å; Q16-F18 PolarHBondContact O-N 2.7Å; F18-Y20 WeakPolarHBondContact CD2-O 3.48Å; F18-M21 HydrophobicContact CD2-CB 4.23Å; F18-M21 HydrophobicContact CE1-CE 4.05Å; F18-M21 HydrophobicContact CE2-CB 3.71Å; F18-M21 HydrophobicContact CE2-CE 3.86Å; F18-M21 HydrophobicContact CZ-CB 4.49Å; F18-M21 HydrophobicContact CZ-CE 3.48Å; F18-M21 VanDerWaalsContact CZ-CE 3.48Å; F18-K71 HydrophobicContact CB-CD 4.12Å; F18-K71 HydrophobicContact CB-CG 3.88Å; F18-K71 HydrophobicContact CD1-CD 3.48Å; F18-K71 VanDerWaalsContact CD1-CD 3.48Å; F18-K71 HydrophobicContact CD1-CG 4.2Å; F18-K71 HydrophobicContact CD2-CD 4.31Å; F18-K71 HydrophobicContact CD2-CG 4.43Å; F18-K71 HydrophobicContact CE1-CD 3.93Å; F18-K71 HydrophobicContact CG-CB 4.47Å; F18-K71 HydrophobicContact CG-CD 3.68Å; F18-K71 HydrophobicContact CG-CG 3.9Å
19	D	91.9	Very high	75.7	Confident	74 Å²	74	70.7 Å²	70.7	40%	0.396	37%	0.37	S	S	.	.	S	Bend	trans	-80.8	-41.8	179.5	-63.4	-95.6	0	0	0	111.5	K68 R69	D19-K68 HydrophobicContact CB-CB 4.14Å; D19-K68 HydrophobicContact CB-CD 3.76Å; D19-K68 WeakPolarHBondContact OD1-CD 3.3Å; D19-K68 IonicContact OD1-NZ 2.95Å; D19-K68 PolarHBondContact OD1-NZ 3.25Å; D19-K68 WeakPolarHBondContact OD2-CA 3.29Å; D19-R69 PolarHBondContact N-O 2.72Å; D19-R69 PolarHBondContact OD2-N 3.24Å
20	Y	93.8	Very high	78.3	Confident	75 Å²	75	69.4 Å²	69.4	29%	0.294	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	150.8	-175.9	-59.5	-72.1	0	0	0	111.8	F18 F22 K68 R69 I70 K71 M186	F18-Y20 WeakPolarHBondContact CD2-O 3.48Å; Y20-F22 HydrophobicContact CG-CE1 4.27Å; Y20-K68 HydrophobicContact CD2-CB 4.13Å; Y20-K68 HydrophobicContact CD2-CG 4.42Å; Y20-K68 HydrophobicContact CE2-CB 4.11Å; Y20-K68 HydrophobicContact CE2-CD 4.01Å; Y20-K68 HydrophobicContact CE2-CG 3.89Å; Y20-R69 PolarHBondContact N-O 3.37Å; Y20-I70 HydrophobicContact CD2-CG1 4.35Å; Y20-I70 CarbonylContact O-C 3.34Å; Y20-I70 WeakPolarHBondContact O-CA 3.32Å; Y20-K71 PolarHBondContact O-N 3.34Å; Y20-M186 HydrophobicContact CD1-CE 4.2Å; Y20-M186 HydrophobicContact CE1-CE 4.38Å; Y20-M186 HydrophobicContact CG-CE 4.47Å
21	M	94.3	Very high	80.8	Confident	62 Å²	62	62.8 Å²	62.8	31%	0.305	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	118.4	172.5	-179.2	177.7	-73.8	0	0	109.2	F18 K71 Q73	F18-M21 HydrophobicContact CD2-CB 4.23Å; F18-M21 HydrophobicContact CE1-CE 4.05Å; F18-M21 HydrophobicContact CE2-CB 3.71Å; F18-M21 HydrophobicContact CE2-CE 3.86Å; F18-M21 HydrophobicContact CZ-CB 4.49Å; F18-M21 HydrophobicContact CZ-CE 3.48Å; F18-M21 VanDerWaalsContact CZ-CE 3.48Å; M21-K71 CarbonylContact C-O 3.59Å; M21-K71 VanDerWaalsContact CA-O 3.27Å; M21-K71 WeakPolarHBondContact CA-O 3.46Å; M21-K71 HydrophobicContact CE-CB 4.49Å; M21-K71 HydrophobicContact CE-CD 4.09Å; M21-K71 HydrophobicContact CG-CB 4.42Å; M21-Q73 HydrophobicContact CG-CG 3.98Å; M21-Q73 HydrophobicContact SD-CG 4.06Å; M21-Q73 PolarHBondContact SD-NE2 2.96Å; M21-Q73 VanDerWaalsContact SD-NE2 3.45Å
22	F	95.8	Very high	83.4	Confident	1 Å²	1	53.5 Å²	53.5	0%	0.004	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.2	179.3	-63	-10	0	0	0	110.2	Y20 I70 K71 L72 Q73 M95 V179 I182 M186	Y20-F22 HydrophobicContact CG-CE1 4.27Å; F22-I70 HydrophobicContact CD1-CG2 4.24Å; F22-I70 HydrophobicContact CD2-CG2 3.71Å; F22-I70 HydrophobicContact CE1-CG2 4.29Å; F22-I70 HydrophobicContact CE2-CD1 4Å; F22-I70 HydrophobicContact CE2-CG2 3.8Å; F22-I70 HydrophobicContact CG-CG2 3.92Å; F22-I70 HydrophobicContact CZ-CD1 4.1Å; F22-I70 HydrophobicContact CZ-CG2 4.06Å; F22-K71 PolarHBondContact N-O 3.46Å; F22-L72 HydrophobicContact CB-CD2 3.95Å; F22-L72 HydrophobicContact CD2-CD2 4.02Å; F22-L72 HydrophobicContact CG-CD2 4.36Å; F22-Q73 PolarHBondContact O-N 2.91Å; F22-M95 HydrophobicContact CB-SD 4.29Å; F22-M95 HydrophobicContact CD1-CE 3.73Å; F22-M95 HydrophobicContact CD1-SD 3.61Å; F22-M95 HydrophobicContact CE1-CE 3.91Å; F22-M95 HydrophobicContact CE1-SD 4.38Å; F22-M95 HydrophobicContact CG-SD 4.24Å; F22-V179 HydrophobicContact CD2-CG1 4.33Å; F22-V179 HydrophobicContact CD2-CG2 4.34Å; F22-V179 HydrophobicContact CE2-CG1 3.96Å; F22-I182 HydrophobicContact CD1-CG2 4.15Å; F22-I182 HydrophobicContact CD2-CB 4.29Å; F22-I182 HydrophobicContact CD2-CD1 4.24Å; F22-I182 HydrophobicContact CD2-CG2 3.89Å; F22-I182 HydrophobicContact CE1-CG2 4Å; F22-I182 HydrophobicContact CE2-CB 4.08Å; F22-I182 HydrophobicContact CE2-CG2 3.69Å; F22-I182 HydrophobicContact CG-CG2 4.14Å; F22-I182 HydrophobicContact CZ-CG2 3.79Å; F22-M186 HydrophobicContact CE1-CE 3.36Å; F22-M186 HydrophobicContact CE1-SD 3.88Å; F22-M186 HydrophobicContact CZ-CE 3.29Å; F22-M186 HydrophobicContact CZ-SD 4.35Å
23	K	95.8	Very high	86.1	Confident	37 Å²	37	45.7 Å²	45.7	16%	0.161	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	114.5	170.8	-179.4	173.7	172.2	-171.7	0	109.2	L25 Y90 R92 M95 G96	K23-L25 HydrophobicContact CG-CD1 3.99Å; K23-Y90 WeakPolarHBondContact CE-O 3.27Å; K23-Y90 PolarHBondContact NZ-O 3.18Å; K23-R92 PolarHBondContact NZ-O 2.92Å; K23-M95 PolarHBondContact O-N 3.29Å; K23-G96 PolarHBondContact O-N 2.96Å
24	I	96.9	Very high	88.4	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134	-179.9	-62.6	172.1	0	0	0	109	L72 Q73 I74 W75 G96 I98 L178 V179 I182	I24-L72 HydrophobicContact CD1-CD1 4.47Å; I24-L72 HydrophobicContact CD1-CD2 4.12Å; I24-Q73 PolarHBondContact N-O 3.4Å; I24-I74 WeakPolarHBondContact O-CA 3.19Å; I24-W75 PolarHBondContact O-N 2.94Å; I24-G96 VanDerWaalsContact CA-O 3.29Å; I24-G96 WeakPolarHBondContact CA-O 3.29Å; I24-I98 HydrophobicContact CG2-CD1 4.41Å; I24-I98 HydrophobicContact CG2-CG1 4.36Å; I24-L178 HydrophobicContact CD1-CD2 4.17Å; I24-L178 HydrophobicContact CG1-CD2 4.28Å; I24-L178 HydrophobicContact CG2-CD2 3.72Å; I24-V179 HydrophobicContact CD1-CG2 4.42Å; I24-I182 HydrophobicContact CG1-CD1 4.47Å
25	L	96.6	Very high	90.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	138.8	172.9	-79.3	66.5	0	0	0	110.2	K23 I27 W75 Y91 A94 G96 F97 I98	K23-L25 HydrophobicContact CG-CD1 3.99Å; L25-I27 HydrophobicContact CB-CG2 4.12Å; L25-W75 HydrophobicContact CD1-CB 4.27Å; L25-W75 HydrophobicContact CD1-CG 4.32Å; L25-W75 HydrophobicContact CG-CB 3.96Å; L25-W75 HydrophobicContact CG-CG 4.49Å; L25-Y91 HydrophobicContact CD2-CD1 3.5Å; L25-Y91 HydrophobicContact CD2-CE1 3.9Å; L25-A94 HydrophobicContact CD1-CB 3.57Å; L25-G96 PolarHBondContact N-O 3.42Å; L25-F97 HydrophobicContact CB-CD1 3.85Å; L25-F97 HydrophobicContact CB-CE1 3.99Å; L25-F97 HydrophobicContact CD2-CE1 3.86Å; L25-F97 HydrophobicContact CG-CE1 4.41Å; L25-F97 CarbonylContact O-C 3.57Å; L25-F97 WeakPolarHBondContact O-CA 3.42Å; L25-I98 PolarHBondContact O-N 3.38Å
26	I	97.1	Very high	92.4	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	119.4	166.2	-45.4	179.6	0	0	0	107.4	K34 L38 I74 W75 T77 I98 M100 F175	I26-K34 HydrophobicContact CB-CB 4.38Å; I26-K34 HydrophobicContact CG2-CB 3.71Å; I26-K34 HydrophobicContact CG2-CD 4.05Å; I26-K34 HydrophobicContact CG2-CG 3.78Å; I26-L38 HydrophobicContact CD1-CB 3.93Å; I26-I74 HydrophobicContact CD1-CG2 3.98Å; I26-I74 HydrophobicContact CG1-CG2 4.02Å; I26-W75 PolarHBondContact N-O 2.85Å; I26-T77 PolarHBondContact O-OG1 3.22Å; I26-I98 WeakPolarHBondContact CA-O 3.27Å; I26-I98 HydrophobicContact CG1-CB 4.38Å; I26-I98 HydrophobicContact CG1-CD1 4.4Å; I26-I98 HydrophobicContact CG2-CB 4.22Å; I26-I98 HydrophobicContact CG2-CG2 4.19Å; I26-M100 HydrophobicContact CG2-CE 4.21Å; I26-F175 HydrophobicContact CD1-CE1 4.48Å; I26-F175 HydrophobicContact CD1-CZ 3.93Å
27	I	95.6	Very high	94.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	161.5	-176.3	67.9	160.6	0	0	0	111.6	L25 K34 T77 Y91 F97 I98 L99 M100 W115 I119	L25-I27 HydrophobicContact CB-CG2 4.12Å; I27-K34 VanDerWaalsContact C-CD 3.46Å; I27-T77 HydrophobicContact CG2-CG2 4.41Å; I27-Y91 HydrophobicContact CG2-CE1 4.04Å; I27-F97 HydrophobicContact CD1-CD1 4.27Å; I27-F97 HydrophobicContact CG1-CD1 4.49Å; I27-F97 HydrophobicContact CG2-CD1 4.34Å; I27-I98 PolarHBondContact N-O 2.8Å; I27-L99 HydrophobicContact CD1-CD1 4.02Å; I27-L99 HydrophobicContact CG1-CB 4.33Å; I27-L99 HydrophobicContact CG1-CD1 3.88Å; I27-M100 PolarHBondContact O-N 3.2Å; I27-W115 HydrophobicContact CD1-CB 4.2Å; I27-W115 HydrophobicContact CD1-CE3 4.12Å; I27-I119 HydrophobicContact CD1-CD1 3.43Å; I27-I119 VanDerWaalsContact CD1-CD1 3.43Å; I27-I119 HydrophobicContact CD1-CG1 3.62Å; I27-I119 HydrophobicContact CG1-CD1 4.43Å
28	G	95.6	Very high	94.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.129	C	C	.	.			trans	142.3	171.8	-175.8	0	0	0	0	0	111.5	K34 G79 M100	G28-K34 PolarHBondContact O-NZ 2.95Å; G28-G79 VanDerWaalsContact O-CA 3.27Å; G28-G79 WeakPolarHBondContact O-CA 3.4Å; G28-M100 WeakPolarHBondContact CA-O 3.41Å
29	N	93.8	Very high	95.2	Very high	34 Å²	34	24.3 Å²	24.3	18%	0.182	13%	0.133	C	C	.	.	S	Bend	trans	-57.8	166.7	-177.9	-79	16.6	0	0	0	112.9	V32 K34 G79 A111 W115	N29-V32 HydrophobicContact CB-CG1 3.97Å; N29-V32 VanDerWaalsContact O-CG2 3.31Å; N29-V32 WeakPolarHBondContact O-CG2 3.37Å; N29-K34 PolarHBondContact O-NZ 3.22Å; N29-G79 CarbonylContact C-O 3.49Å; N29-A111 WeakPolarHBondContact OD1-CB 3.42Å; N29-W115 PolarHBondContact OD1-NE1 3Å
30	S	91.4	Very high	95.4	Very high	35 Å²	35	22.7 Å²	22.7	25%	0.245	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	155.4	169.6	-165.4	0	0	0	0	110.2	V32 G79	S30-V32 PolarHBondContact O-N 2.81Å; S30-G79 PolarHBondContact N-O 3.49Å
31	S	92.9	Very high	95.5	Very high	52 Å²	52	20 Å²	20	36%	0.364	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	3.1	176.3	68.1	0	0	0	0	118.9	G33 F50 K135	S31-G33 PolarHBondContact O-N 3.24Å; S31-F50 VanDerWaalsContact CB-CE2 3.47Å; S31-K135 WeakPolarHBondContact O-CE 3.32Å; S31-K135 PolarHBondContact O-NZ 3.05Å
32	V	95.9	Very high	95.5	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	-69.2	-13.4	175.9	-54.2	0	0	0	0	114.3	N29 S30 K34 M100 D102 N134	N29-V32 HydrophobicContact CB-CG1 3.97Å; N29-V32 VanDerWaalsContact O-CG2 3.31Å; N29-V32 WeakPolarHBondContact O-CG2 3.37Å; S30-V32 PolarHBondContact O-N 2.81Å; V32-K34 HydrophobicContact CG2-CD 4.23Å; V32-K34 HydrophobicContact CG2-CG 3.61Å; V32-M100 HydrophobicContact CB-CG 4.36Å; V32-M100 HydrophobicContact CG2-CB 4.09Å; V32-M100 HydrophobicContact CG2-CG 3.94Å; V32-M100 HydrophobicContact CG2-SD 4.12Å; V32-D102 HydrophobicContact CB-CB 4.18Å; V32-D102 HydrophobicContact CG1-CB 4.12Å; V32-N134 PolarHBondContact O-ND2 3.09Å
33	G	95.8	Very high	95.4	Very high	15 Å²	15	22 Å²	22	16%	0.155	13%	0.126	C	C	.	.	S	Bend	trans	102.8	18.1	172.8	0	0	0	0	0	116.3	S31 T35 S36 F37	S31-G33 PolarHBondContact O-N 3.24Å; G33-T35 PolarHBondContact O-N 2.88Å; G33-S36 PolarHBondContact O-N 2.85Å; G33-F37 WeakPolarHBondContact O-CB 3.41Å; G33-F37 PolarHBondContact O-N 2.86Å
34	K	96.1	Very high	95.3	Very high	10 Å²	10	25.2 Å²	25.2	4%	0.043	14%	0.144	C	C	.	.	H	α-helix	trans	-51.7	-52	179.6	-55.3	-172.3	-62.1	-74.7	0	113.7	I26 I27 G28 N29 V32 F37 L38 D76 T77 M100	I26-K34 HydrophobicContact CB-CB 4.38Å; I26-K34 HydrophobicContact CG2-CB 3.71Å; I26-K34 HydrophobicContact CG2-CD 4.05Å; I26-K34 HydrophobicContact CG2-CG 3.78Å; I27-K34 VanDerWaalsContact C-CD 3.46Å; G28-K34 PolarHBondContact O-NZ 2.95Å; N29-K34 PolarHBondContact O-NZ 3.22Å; V32-K34 HydrophobicContact CG2-CD 4.23Å; V32-K34 HydrophobicContact CG2-CG 3.61Å; K34-F37 WeakPolarHBondContact O-CB 3.37Å; K34-F37 PolarHBondContact O-N 2.86Å; K34-L38 PolarHBondContact O-N 2.98Å; K34-D76 VanDerWaalsContact CB-OD1 3.27Å; K34-D76 WeakPolarHBondContact CB-OD1 3.42Å; K34-T77 WeakPolarHBondContact CE-O 3.29Å; K34-M100 HydrophobicContact CG-CB 4.43Å; K34-M100 HydrophobicContact CG-SD 4.11Å
35	T	94.9	Very high	95	Very high	30 Å²	30	27.4 Å²	27.4	18%	0.184	16%	0.16	C	C	.	.	H	α-helix	trans	-61.9	-46.7	178.9	-47.6	0	0	0	0	111.9	G33 F37 L38 F39 T53 D76	G33-T35 PolarHBondContact O-N 2.88Å; T35-F37 VanDerWaalsContact C-N 3.27Å; T35-F37 PolarHBondContact O-N 3Å; T35-L38 PolarHBondContact O-N 2.8Å; T35-F39 HydrophobicContact CG2-CD2 4.09Å; T35-F39 HydrophobicContact CG2-CE2 3.67Å; T35-F39 HydrophobicContact CG2-CZ 4Å; T35-F39 PolarHBondContact O-N 2.83Å; T35-T53 PolarHBondContact OG1-OG1 3.48Å; T35-D76 WeakPolarHBondContact CA-OD2 3.47Å; T35-D76 VanDerWaalsContact CB-OD2 3.27Å; T35-D76 WeakPolarHBondContact CB-OD2 3.46Å; T35-D76 WeakPolarHBondContact CG2-OD2 3.38Å; T35-D76 PolarHBondContact N-OD1 2.62Å; T35-D76 PolarHBondContact OG1-OD1 3.17Å; T35-D76 PolarHBondContact OG1-OD2 2.99Å
36	S	95.8	Very high	94.9	Very high	29 Å²	29	31 Å²	31	20%	0.203	18%	0.176	C	C	.	.	H	α-helix	trans	-63.2	-35.2	177	-53.6	0	0	0	0	112	G33 R40	G33-S36 PolarHBondContact O-N 2.85Å; S36-R40 VanDerWaalsContact O-CB 3.28Å; S36-R40 WeakPolarHBondContact O-CB 2.99Å; S36-R40 PolarHBondContact O-N 3.4Å
37	F	97.3	Very high	94.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.9	-43.2	176.1	-160.2	-96.6	0	0	0	111.6	G33 K34 T35 R40 Y41 M100 V132 A163 A165 V171 T174 F175	G33-F37 WeakPolarHBondContact O-CB 3.41Å; G33-F37 PolarHBondContact O-N 2.86Å; K34-F37 WeakPolarHBondContact O-CB 3.37Å; K34-F37 PolarHBondContact O-N 2.86Å; T35-F37 VanDerWaalsContact C-N 3.27Å; T35-F37 PolarHBondContact O-N 3Å; F37-R40 PolarHBondContact O-N 3.45Å; F37-Y41 WeakPolarHBondContact O-CB 3.45Å; F37-Y41 PolarHBondContact O-N 2.68Å; F37-M100 HydrophobicContact CB-CE 3.71Å; F37-M100 HydrophobicContact CD1-CE 3.72Å; F37-M100 HydrophobicContact CD2-CE 3.72Å; F37-M100 HydrophobicContact CE1-CE 4.21Å; F37-M100 HydrophobicContact CE2-CE 4.2Å; F37-M100 HydrophobicContact CG-CE 3.45Å; F37-M100 VanDerWaalsContact CG-CE 3.45Å; F37-M100 HydrophobicContact CZ-CE 4.42Å; F37-V132 HydrophobicContact CE2-CG1 4.44Å; F37-V132 HydrophobicContact CZ-CG1 4.42Å; F37-A163 HydrophobicContact CE2-CB 3.62Å; F37-A163 HydrophobicContact CZ-CB 4.14Å; F37-A165 HydrophobicContact CB-CB 4.36Å; F37-A165 HydrophobicContact CD2-CB 4.16Å; F37-V171 HydrophobicContact CD1-CG1 4.28Å; F37-V171 HydrophobicContact CD2-CG1 4.34Å; F37-V171 HydrophobicContact CD2-CG2 4.05Å; F37-V171 HydrophobicContact CE1-CG1 4.1Å; F37-V171 HydrophobicContact CE2-CB 4.15Å; F37-V171 HydrophobicContact CE2-CG1 4.16Å; F37-V171 HydrophobicContact CE2-CG2 3.69Å; F37-V171 HydrophobicContact CG-CG1 4.4Å; F37-V171 HydrophobicContact CZ-CB 4.18Å; F37-V171 HydrophobicContact CZ-CG1 4.04Å; F37-V171 HydrophobicContact CZ-CG2 4.23Å; F37-T174 HydrophobicContact CE1-CG2 4.22Å; F37-T174 HydrophobicContact CZ-CG2 4.27Å; F37-F175 AromaticContact CD1-CE2 3.6Å; F37-F175 HydrophobicContact CD1-CE2 3.6Å; F37-F175 HydrophobicContact CD1-CZ 4.05Å; F37-F175 HydrophobicContact CE1-CD2 4.11Å; F37-F175 AromaticContact CE1-CE2 3.45Å; F37-F175 HydrophobicContact CE1-CE2 3.45Å; F37-F175 VanDerWaalsContact CE1-CE2 3.45Å; F37-F175 HydrophobicContact CE1-CZ 4.18Å
38	L	96.4	Very high	93.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.2	-48.1	173.1	175.7	57	0	0	0	111.5	I26 K34 T35 R40 Y41 A42 K59 I74 D76	I26-L38 HydrophobicContact CD1-CB 3.93Å; K34-L38 PolarHBondContact O-N 2.98Å; T35-L38 PolarHBondContact O-N 2.8Å; L38-R40 VanDerWaalsContact C-N 3.35Å; L38-R40 PolarHBondContact O-N 3.32Å; L38-Y41 PolarHBondContact O-N 2.72Å; L38-A42 HydrophobicContact CD1-CB 4.43Å; L38-A42 VanDerWaalsContact O-CB 3.26Å; L38-A42 WeakPolarHBondContact O-CB 3.48Å; L38-A42 PolarHBondContact O-N 3.22Å; L38-K59 HydrophobicContact CD1-CB 4.29Å; L38-K59 HydrophobicContact CD1-CD 4.4Å; L38-K59 HydrophobicContact CD2-CB 4.34Å; L38-K59 HydrophobicContact CD2-CD 4.37Å; L38-K59 HydrophobicContact CD2-CG 4.38Å; L38-K59 HydrophobicContact CG-CD 4.22Å; L38-I74 HydrophobicContact CD1-CB 3.89Å; L38-I74 HydrophobicContact CD1-CD1 4.03Å; L38-I74 HydrophobicContact CD1-CG2 3.64Å; L38-D76 HydrophobicContact CD2-CB 3.68Å
39	F	94.7	Very high	93	Very high	57 Å²	57	43 Å²	43	25%	0.25	26%	0.257	C	S	.	.	H	α-helix	trans	-65.8	-37.1	179.5	-71.6	-18.7	0	0	0	112.8	T35 Y41 D43 D44 S45 K59	T35-F39 HydrophobicContact CG2-CD2 4.09Å; T35-F39 HydrophobicContact CG2-CE2 3.67Å; T35-F39 HydrophobicContact CG2-CZ 4Å; T35-F39 PolarHBondContact O-N 2.83Å; F39-Y41 VanDerWaalsContact C-N 3.34Å; F39-Y41 PolarHBondContact O-N 2.68Å; F39-D43 WeakPolarHBondContact O-CA 3.24Å; F39-D43 PolarHBondContact O-N 3.17Å; F39-D44 PolarHBondContact O-N 2.8Å; F39-S45 CarbonylContact C-O 3.5Å; F39-S45 PolarHBondContact O-N 3Å; F39-K59 HydrophobicContact CD1-CD 4.43Å
40	R	96.8	Very high	92.1	Very high	39 Å²	39	47.6 Å²	47.6	15%	0.147	28%	0.275	C	S	.	.	H	α-helix	trans	-61.2	-45.3	172.2	177.4	56.8	74.3	-172.6	5.6	110.9	S36 F37 L38 D44 S45 A165 K166 N168 V171	S36-R40 VanDerWaalsContact O-CB 3.28Å; S36-R40 WeakPolarHBondContact O-CB 2.99Å; S36-R40 PolarHBondContact O-N 3.4Å; F37-R40 PolarHBondContact O-N 3.45Å; L38-R40 VanDerWaalsContact C-N 3.35Å; L38-R40 PolarHBondContact O-N 3.32Å; R40-D44 WeakPolarHBondContact CD-OD1 3.27Å; R40-D44 IonicContact CZ-OD1 2.82Å; R40-D44 PolarHBondContact NH1-O 3.12Å; R40-D44 IonicContact NH1-OD1 2.72Å; R40-D44 PolarHBondContact NH1-OD1 3.45Å; R40-D44 VanDerWaalsContact O-CA 3.24Å; R40-D44 WeakPolarHBondContact O-CA 3.35Å; R40-D44 PolarHBondContact O-N 2.8Å; R40-S45 WeakPolarHBondContact CA-O 3.48Å; R40-S45 PolarHBondContact N-O 3.26Å; R40-S45 VanDerWaalsContact N-O 3.16Å; R40-A165 WeakPolarHBondContact CG-O 3.3Å; R40-A165 PolarHBondContact NE-O 3.01Å; R40-K166 PolarHBondContact NH2-O 2.78Å; R40-N168 HydrophobicContact CG-CB 4.34Å; R40-N168 WeakPolarHBondContact CG-OD1 3.32Å; R40-V171 HydrophobicContact CB-CG1 4.24Å; R40-V171 HydrophobicContact CG-CB 4.2Å; R40-V171 HydrophobicContact CG-CG1 3.94Å; R40-V171 HydrophobicContact CG-CG2 3.89Å
41	Y	96.9	Very high	91.6	Very high	19 Å²	19	51.5 Å²	51.5	8%	0.075	30%	0.298	C	S	.	.	H	α-helix	trans	-68.6	-44.6	178.8	177.7	-110.7	0	0	0	113.6	F37 L38 F39 K61 L72 I74 K172 F175	F37-Y41 WeakPolarHBondContact O-CB 3.45Å; F37-Y41 PolarHBondContact O-N 2.68Å; L38-Y41 PolarHBondContact O-N 2.72Å; F39-Y41 VanDerWaalsContact C-N 3.34Å; F39-Y41 PolarHBondContact O-N 2.68Å; Y41-K61 HydrophobicContact CD1-CD 3.93Å; Y41-K61 HydrophobicContact CE1-CB 4.4Å; Y41-K61 HydrophobicContact CE1-CD 3.27Å; Y41-K61 HydrophobicContact CE1-CG 4.44Å; Y41-K61 HydrophobicContact CE2-CD 4.45Å; Y41-K61 PolarHBondContact O-NZ 3.26Å; Y41-L72 HydrophobicContact CE1-CD1 4.37Å; Y41-I74 HydrophobicContact CD1-CD1 3.79Å; Y41-I74 HydrophobicContact CE1-CD1 3.65Å; Y41-K172 HydrophobicContact CE2-CG 4.31Å; Y41-F175 VanDerWaalsContact CB-CE2 3.43Å; Y41-F175 HydrophobicContact CD1-CD1 4.04Å; Y41-F175 AromaticContact CD1-CD2 3.76Å; Y41-F175 HydrophobicContact CD1-CD2 3.76Å; Y41-F175 HydrophobicContact CD1-CE1 4.09Å; Y41-F175 AromaticContact CD1-CE2 3.83Å; Y41-F175 HydrophobicContact CD1-CE2 3.83Å; Y41-F175 AromaticContact CD1-CG 3.88Å; Y41-F175 HydrophobicContact CD1-CG 3.88Å; Y41-F175 AromaticContact CD1-CZ 3.99Å; Y41-F175 HydrophobicContact CD1-CZ 3.99Å; Y41-F175 HydrophobicContact CD2-CB 4.04Å; Y41-F175 AromaticContact CD2-CD2 3.35Å; Y41-F175 HydrophobicContact CD2-CD2 3.35Å; Y41-F175 AromaticContact CD2-CE2 3.96Å; Y41-F175 HydrophobicContact CD2-CE2 3.96Å; Y41-F175 AromaticContact CD2-CG 3.82Å; Y41-F175 HydrophobicContact CD2-CG 3.82Å; Y41-F175 HydrophobicContact CE1-CB 4.16Å; Y41-F175 AromaticContact CE1-CD1 3.93Å; Y41-F175 HydrophobicContact CE1-CD1 3.93Å; Y41-F175 HydrophobicContact CE1-CD2 4.16Å; Y41-F175 HydrophobicContact CE1-CE1 4.37Å; Y41-F175 AromaticContact CE1-CG 3.82Å; Y41-F175 HydrophobicContact CE1-CG 3.82Å; Y41-F175 HydrophobicContact CE2-CB 3.52Å; Y41-F175 AromaticContact CE2-CD2 3.78Å; Y41-F175 HydrophobicContact CE2-CD2 3.78Å; Y41-F175 AromaticContact CE2-CG 3.75Å; Y41-F175 HydrophobicContact CE2-CG 3.75Å; Y41-F175 HydrophobicContact CG-CD1 4.44Å; Y41-F175 AromaticContact CG-CD2 3.32Å; Y41-F175 HydrophobicContact CG-CD2 3.32Å; Y41-F175 AromaticContact CG-CE2 3.46Å; Y41-F175 HydrophobicContact CG-CE2 3.46Å; Y41-F175 VanDerWaalsContact CG-CE2 3.46Å; Y41-F175 AromaticContact CG-CG 3.87Å; Y41-F175 HydrophobicContact CG-CG 3.87Å; Y41-F175 HydrophobicContact CG-CZ 4.08Å; Y41-F175 AromaticContact CZ-CG 3.75Å
42	A	93.8	Very high	91.1	Very high	21 Å²	21	51.2 Å²	51.2	17%	0.174	30%	0.296	C	S	.	.	H	α-helix	trans	-78.2	-46	-171.4	0	0	0	0	0	112.1	L38 K59 K61	L38-A42 HydrophobicContact CD1-CB 4.43Å; L38-A42 VanDerWaalsContact O-CB 3.26Å; L38-A42 WeakPolarHBondContact O-CB 3.48Å; L38-A42 PolarHBondContact O-N 3.22Å; A42-K59 HydrophobicContact CB-CD 3.49Å; A42-K59 VanDerWaalsContact CB-CD 3.49Å; A42-K61 PolarHBondContact O-NZ 3.38Å; A42-K61 VanDerWaalsContact O-NZ 3.08Å
43	D	92.8	Very high	90.3	Very high	85 Å²	85	53 Å²	53	46%	0.455	31%	0.307	S	S	.	.	H	α-helix	trans	-121.8	1.9	-164.9	-52	-22.8	0	0	0	112.9	F39 S45 K59	F39-D43 WeakPolarHBondContact O-CA 3.24Å; F39-D43 PolarHBondContact O-N 3.17Å; D43-S45 PolarHBondContact O-N 3.18Å; D43-K59 IonicContact OD1-NZ 2.65Å; D43-K59 PolarHBondContact OD1-NZ 3.27Å; D43-K59 VanDerWaalsContact OD2-CE 3.27Å; D43-K59 WeakPolarHBondContact OD2-CE 3.23Å; D43-K59 IonicContact OD2-NZ 2.72Å; D43-K59 PolarHBondContact OD2-NZ 3.08Å
44	D	93.3	Very high	89.4	Confident	103 Å²	103	58 Å²	58	55%	0.551	33%	0.334	S	S	*	.	S	Bend	trans	50.4	37.9	-171.9	-163.2	23.5	0	0	0	113.4	F39 R40	F39-D44 PolarHBondContact O-N 2.8Å; R40-D44 WeakPolarHBondContact CD-OD1 3.27Å; R40-D44 IonicContact CZ-OD1 2.82Å; R40-D44 PolarHBondContact NH1-O 3.12Å; R40-D44 IonicContact NH1-OD1 2.72Å; R40-D44 PolarHBondContact NH1-OD1 3.45Å; R40-D44 VanDerWaalsContact O-CA 3.24Å; R40-D44 WeakPolarHBondContact O-CA 3.35Å; R40-D44 PolarHBondContact O-N 2.8Å
45	S	92.4	Very high	88.6	Confident	47 Å²	47	58.8 Å²	58.8	33%	0.329	35%	0.345	S	S	.	.			trans	-119.3	148.1	-176.9	71.2	0	0	0	0	112	F39 R40 D43	F39-S45 CarbonylContact C-O 3.5Å; F39-S45 PolarHBondContact O-N 3Å; R40-S45 WeakPolarHBondContact CA-O 3.48Å; R40-S45 PolarHBondContact N-O 3.26Å; R40-S45 VanDerWaalsContact N-O 3.16Å; D43-S45 PolarHBondContact O-N 3.18Å
46	F	92.8	Very high	88.1	Confident	76 Å²	76	59.4 Å²	59.4	33%	0.333	35%	0.346	S	S	.	.			trans	-142.5	136.6	174.9	176.3	-94.6	0	0	0	109.9	P48 A165 K166	F46-P48 HydrophobicContact CE1-CB 4.14Å; F46-A165 HydrophobicContact CD2-CB 4.3Å; F46-A165 HydrophobicContact CE2-CB 4.4Å; F46-K166 HydrophobicContact CD1-CB 4.44Å; F46-K166 HydrophobicContact CD1-CG 4.21Å; F46-K166 HydrophobicContact CD2-CB 4.29Å; F46-K166 HydrophobicContact CE1-CB 4.03Å; F46-K166 HydrophobicContact CE1-CG 3.75Å; F46-K166 HydrophobicContact CE2-CB 3.86Å; F46-K166 HydrophobicContact CE2-CG 4.49Å; F46-K166 HydrophobicContact CZ-CB 3.72Å; F46-K166 HydrophobicContact CZ-CG 3.91Å
47	T	87.6	Confident	87.6	Confident	73 Å²	73	61.4 Å²	61.4	45%	0.448	36%	0.355	S	S	.	.			trans	-122.9	132.3	169.7	179.5	0	0	0	0	109.3	A49	T47-A49 PolarHBondContact O-N 3.28Å; T47-A49 PolarHBondContact OG1-N 3.21Å
48	P	79.8	Confident	87.1	Confident	117 Å²	117	65.4 Å²	65.4	76%	0.76	37%	0.372	S	S	*	.			trans	-75	-13	174.5	31.5	-34.6	0	0	0	112.2	F46 F50	F46-P48 HydrophobicContact CE1-CB 4.14Å; P48-F50 PolarHBondContact O-N 3.45Å
49	A	81.8	Confident	87	Confident	60 Å²	60	67.8 Å²	67.8	50%	0.496	38%	0.383	S	S	.	.			trans	-66.4	118	-179.4	0	0	0	0	0	110.3	T47 V51	T47-A49 PolarHBondContact O-N 3.28Å; T47-A49 PolarHBondContact OG1-N 3.21Å; A49-V51 PolarHBondContact O-N 3.19Å
50	F	75.6	Confident	87	Confident	131 Å²	131	68.7 Å²	68.7	58%	0.575	39%	0.393	S	S	*	.			trans	-76.9	108.8	172.6	179.3	-109.9	0	0	0	109.9	S31 P48 S52	S31-F50 VanDerWaalsContact CB-CE2 3.47Å; P48-F50 PolarHBondContact O-N 3.45Å; F50-S52 WeakPolarHBondContact CE1-OG 3.26Å; F50-S52 WeakPolarHBondContact CZ-OG 3.27Å
51	V	79.8	Confident	86.9	Confident	117 Å²	117	69.9 Å²	69.9	71%	0.709	40%	0.399	S	S	*	.			trans	-115.9	121.5	168.7	-176.8	0	0	0	0	107.2	A49 T53	A49-V51 PolarHBondContact O-N 3.19Å; V51-T53 PolarHBondContact O-N 3.31Å
52	S	82.3	Confident	86.8	Confident	47 Å²	47	71.4 Å²	71.4	33%	0.329	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-65.8	123.9	176.5	-72.4	0	0	0	0	110.1	F50 V54	F50-S52 WeakPolarHBondContact CE1-OG 3.26Å; F50-S52 WeakPolarHBondContact CZ-OG 3.27Å; S52-V54 PolarHBondContact O-N 3.16Å
53	T	78.8	Confident	86.8	Confident	37 Å²	37	71.4 Å²	71.4	23%	0.227	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-65	120.5	173.7	-44.1	0	0	0	0	109.4	T35 V51 A78	T35-T53 PolarHBondContact OG1-OG1 3.48Å; V51-T53 PolarHBondContact O-N 3.31Å; T53-A78 WeakPolarHBondContact O-CB 3.48Å
54	V	78.2	Confident	86.8	Confident	120 Å²	120	74.5 Å²	74.5	73%	0.727	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-96.6	118.2	173.3	-179.3	0	0	0	0	107.6	S52	S52-V54 PolarHBondContact O-N 3.16Å
55	G	78.8	Confident	86.6	Confident	26 Å²	26	72.6 Å²	72.6	27%	0.268	40%	0.399	S	S	.	.	S	Bend	trans	79.2	-138.6	-178.6	0	0	0	0	0	113.1	A78	G55-A78 WeakPolarHBondContact O-CB 3.27Å; G55-A78 PolarHBondContact O-N 3.45Å
56	I	83.5	Confident	86.3	Confident	43 Å²	43	77 Å²	77	22%	0.221	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	132	-174.2	-68.7	167.6	0	0	0	107.9	W75 D76 T77 I86 Y90	I56-W75 HydrophobicContact CG2-CE3 3.67Å; I56-W75 HydrophobicContact CG2-CZ3 4.3Å; I56-D76 CarbonylContact C-O 3.57Å; I56-D76 WeakPolarHBondContact CA-O 3.22Å; I56-D76 WeakPolarHBondContact CG2-O 3.36Å; I56-T77 HydrophobicContact CG1-CG2 4.39Å; I56-I86 HydrophobicContact CD1-CG2 4.25Å; I56-Y90 HydrophobicContact CD1-CD1 4.26Å; I56-Y90 HydrophobicContact CD1-CD2 3.19Å; I56-Y90 HydrophobicContact CD1-CE1 4.21Å; I56-Y90 HydrophobicContact CD1-CE2 3.15Å; I56-Y90 HydrophobicContact CD1-CG 3.79Å
57	D	86.3	Confident	86.1	Confident	72 Å²	72	81.2 Å²	81.2	39%	0.385	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	159.5	173.9	-164.2	13	0	0	0	110.2	W75 D76	D57-W75 WeakPolarHBondContact O-CA 3.45Å; D57-D76 HydrophobicContact CB-CB 4.48Å; D57-D76 PolarHBondContact N-O 2.64Å; D57-D76 PolarHBondContact O-N 3.18Å
58	F	87.8	Confident	86.3	Confident	83 Å²	83	81.6 Å²	81.6	36%	0.364	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	134.1	-172.9	144	-95.7	0	0	0	111.1	V60 Q73 I74 W75	F58-V60 HydrophobicContact CE1-CG2 4.05Å; F58-V60 HydrophobicContact CE2-CG2 3.41Å; F58-V60 VanDerWaalsContact CE2-CG2 3.41Å; F58-V60 HydrophobicContact CZ-CG2 3.11Å; F58-Q73 HydrophobicContact CD2-CB 4.47Å; F58-Q73 HydrophobicContact CE2-CB 4.01Å; F58-Q73 HydrophobicContact CE2-CG 4.04Å; F58-I74 WeakPolarHBondContact CA-O 3.46Å; F58-W75 HydrophobicContact CB-CD2 4.42Å; F58-W75 HydrophobicContact CB-CE3 4.15Å; F58-W75 HydrophobicContact CB-CZ3 4.35Å; F58-W75 HydrophobicContact CD2-CZ2 4.49Å
59	K	93.3	Very high	87	Confident	51 Å²	51	78 Å²	78	22%	0.222	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147.2	170.5	-82.1	-171.2	174.7	-98.6	0	111.7	L38 F39 A42 D43 I74	L38-K59 HydrophobicContact CD1-CB 4.29Å; L38-K59 HydrophobicContact CD1-CD 4.4Å; L38-K59 HydrophobicContact CD2-CB 4.34Å; L38-K59 HydrophobicContact CD2-CD 4.37Å; L38-K59 HydrophobicContact CD2-CG 4.38Å; L38-K59 HydrophobicContact CG-CD 4.22Å; F39-K59 HydrophobicContact CD1-CD 4.43Å; A42-K59 HydrophobicContact CB-CD 3.49Å; A42-K59 VanDerWaalsContact CB-CD 3.49Å; D43-K59 IonicContact OD1-NZ 2.65Å; D43-K59 PolarHBondContact OD1-NZ 3.27Å; D43-K59 VanDerWaalsContact OD2-CE 3.27Å; D43-K59 WeakPolarHBondContact OD2-CE 3.23Å; D43-K59 IonicContact OD2-NZ 2.72Å; D43-K59 PolarHBondContact OD2-NZ 3.08Å; K59-I74 PolarHBondContact N-O 2.81Å; K59-I74 PolarHBondContact O-N 2.9Å
60	V	94.6	Very high	87.6	Confident	75 Å²	75	75.1 Å²	75.1	46%	0.455	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128.1	168.4	-174.5	0	0	0	0	109.3	F58 L72	F58-V60 HydrophobicContact CE1-CG2 4.05Å; F58-V60 HydrophobicContact CE2-CG2 3.41Å; F58-V60 VanDerWaalsContact CE2-CG2 3.41Å; F58-V60 HydrophobicContact CZ-CG2 3.11Å; V60-L72 VanDerWaalsContact CA-O 3.27Å; V60-L72 WeakPolarHBondContact CA-O 3.48Å
61	K	94.4	Very high	88.6	Confident	65 Å²	65	70.4 Å²	70.4	28%	0.283	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.2	167.9	-161.2	-176	-175.3	99.3	0	109	Y41 A42 I63 L72	Y41-K61 HydrophobicContact CD1-CD 3.93Å; Y41-K61 HydrophobicContact CE1-CB 4.4Å; Y41-K61 HydrophobicContact CE1-CD 3.27Å; Y41-K61 HydrophobicContact CE1-CG 4.44Å; Y41-K61 HydrophobicContact CE2-CD 4.45Å; Y41-K61 PolarHBondContact O-NZ 3.26Å; A42-K61 PolarHBondContact O-NZ 3.38Å; A42-K61 VanDerWaalsContact O-NZ 3.08Å; K61-I63 HydrophobicContact CD-CG2 4.49Å; K61-L72 PolarHBondContact N-O 2.82Å; K61-L72 WeakPolarHBondContact O-CB 3.45Å; K61-L72 PolarHBondContact O-N 2.85Å
62	T	95	Very high	89.4	Confident	50 Å²	50	64.8 Å²	64.8	31%	0.307	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.7	173.8	-55.6	0	0	0	0	109.5	R69 I70 K71	T62-R69 HydrophobicContact CG2-CG 3.43Å; T62-R69 VanDerWaalsContact CG2-CG 3.43Å; T62-I70 WeakPolarHBondContact CA-O 3.22Å; T62-K71 HydrophobicContact CG2-CG 4.49Å
63	I	94.9	Very high	90.1	Very high	21 Å²	21	64.9 Å²	64.9	11%	0.108	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	165.1	177.3	65.4	166.9	0	0	0	110.2	K61 R65 I70 L72 V179	K61-I63 HydrophobicContact CD-CG2 4.49Å; I63-R65 HydrophobicContact CD1-CG 4.17Å; I63-I70 HydrophobicContact CG1-CB 3.99Å; I63-I70 PolarHBondContact N-O 2.92Å; I63-I70 PolarHBondContact O-N 3.46Å; I63-L72 HydrophobicContact CD1-CD1 3.9Å; I63-L72 HydrophobicContact CD1-CD2 4.17Å; I63-L72 HydrophobicContact CD1-CG 4.18Å; I63-L72 HydrophobicContact CG1-CD1 4.3Å; I63-L72 HydrophobicContact CG1-CD2 4.44Å; I63-L72 HydrophobicContact CG1-CG 4.21Å; I63-L72 HydrophobicContact CG2-CD1 4.25Å; I63-V179 HydrophobicContact CD1-CB 4.28Å; I63-V179 HydrophobicContact CD1-CG1 3.77Å; I63-V179 HydrophobicContact CD1-CG2 3.84Å
64	Y	92.3	Very high	90.9	Very high	151 Å²	151	63.1 Å²	63.1	59%	0.592	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117	129	173.6	-68.2	-91.2	0	0	0	110	K68 R69	Y64-K68 WeakPolarHBondContact CA-O 3.47Å; Y64-R69 HydrophobicContact CD1-CB 4.14Å; Y64-R69 HydrophobicContact CD1-CG 4.43Å; Y64-R69 HydrophobicContact CE1-CB 3.79Å; Y64-R69 HydrophobicContact CE1-CG 3.85Å
65	R	89.1	Confident	91.7	Very high	63 Å²	63	60 Å²	60	24%	0.238	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	129.8	177	-77.6	-67.4	178.2	-101.8	14.7	109.6	I63 D67 K68 I70 E176 V179 D180	I63-R65 HydrophobicContact CD1-CG 4.17Å; R65-D67 VanDerWaalsContact C-N 3.26Å; R65-D67 PolarHBondContact O-N 3.2Å; R65-K68 PolarHBondContact N-O 2.8Å; R65-K68 WeakPolarHBondContact O-CA 3.28Å; R65-K68 VanDerWaalsContact O-CB 3.27Å; R65-K68 WeakPolarHBondContact O-CB 3.31Å; R65-K68 PolarHBondContact O-N 3.24Å; R65-I70 HydrophobicContact CB-CD1 3.86Å; R65-I70 HydrophobicContact CG-CD1 4.43Å; R65-E176 IonicContact CZ-OE1 2.86Å; R65-E176 IonicContact NH2-OE1 2.91Å; R65-E176 PolarHBondContact NH2-OE1 2.96Å; R65-E176 IonicContact NH2-OE2 3.41Å; R65-V179 HydrophobicContact CG-CG1 4.06Å; R65-D180 IonicContact NE-OD1 3.84Å
66	N	86.8	Confident	92.4	Very high	138 Å²	138	58.8 Å²	58.8	74%	0.738	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	45.7	-179.5	-56.3	-26	0	0	0	113.1	K68	N66-K68 PolarHBondContact O-N 3.04Å
67	D	87.6	Confident	92.6	Very high	166 Å²	166	56.7 Å²	56.7	89%	0.888	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	14.5	-174.9	-57.3	-39.7	0	0	0	115.7	R65	R65-D67 VanDerWaalsContact C-N 3.26Å; R65-D67 PolarHBondContact O-N 3.2Å
68	K	91.4	Very high	92.4	Very high	81 Å²	81	53.3 Å²	53.3	35%	0.352	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	135.4	175.5	-60.7	-67.4	-174.2	-174.4	0	110.6	D19 Y20 Y64 R65 N66 I70	D19-K68 HydrophobicContact CB-CB 4.14Å; D19-K68 HydrophobicContact CB-CD 3.76Å; D19-K68 WeakPolarHBondContact OD1-CD 3.3Å; D19-K68 IonicContact OD1-NZ 2.95Å; D19-K68 PolarHBondContact OD1-NZ 3.25Å; D19-K68 WeakPolarHBondContact OD2-CA 3.29Å; Y20-K68 HydrophobicContact CD2-CB 4.13Å; Y20-K68 HydrophobicContact CD2-CG 4.42Å; Y20-K68 HydrophobicContact CE2-CB 4.11Å; Y20-K68 HydrophobicContact CE2-CD 4.01Å; Y20-K68 HydrophobicContact CE2-CG 3.89Å; Y64-K68 WeakPolarHBondContact CA-O 3.47Å; R65-K68 PolarHBondContact N-O 2.8Å; R65-K68 WeakPolarHBondContact O-CA 3.28Å; R65-K68 VanDerWaalsContact O-CB 3.27Å; R65-K68 WeakPolarHBondContact O-CB 3.31Å; R65-K68 PolarHBondContact O-N 3.24Å; N66-K68 PolarHBondContact O-N 3.04Å; K68-I70 HydrophobicContact CB-CG1 4.43Å
69	R	94.3	Very high	91.4	Very high	40 Å²	40	49.8 Å²	49.8	15%	0.151	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	109.6	174.1	-172.5	170.9	173.5	-152.1	4	108.9	S14 D15 N17 D19 Y20 T62 Y64	S14-R69 VanDerWaalsContact O-CZ 3.29Å; S14-R69 PolarHBondContact O-NH1 2.96Å; S14-R69 PolarHBondContact O-NH2 3.47Å; D15-R69 IonicContact OD1-NH2 3.86Å; N17-R69 VanDerWaalsContact O-CD 3.27Å; N17-R69 WeakPolarHBondContact O-CD 3.4Å; N17-R69 PolarHBondContact O-NH1 3.04Å; D19-R69 PolarHBondContact N-O 2.72Å; D19-R69 PolarHBondContact OD2-N 3.24Å; Y20-R69 PolarHBondContact N-O 3.37Å; T62-R69 HydrophobicContact CG2-CG 3.43Å; T62-R69 VanDerWaalsContact CG2-CG 3.43Å; Y64-R69 HydrophobicContact CD1-CB 4.14Å; Y64-R69 HydrophobicContact CD1-CG 4.43Å; Y64-R69 HydrophobicContact CE1-CB 3.79Å; Y64-R69 HydrophobicContact CE1-CG 3.85Å
70	I	95.7	Very high	90.4	Very high	1 Å²	1	49 Å²	49	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.7	-175.8	-51.2	-178.1	0	0	0	109.2	Y20 F22 T62 I63 R65 K68 L72 V179	Y20-I70 HydrophobicContact CD2-CG1 4.35Å; Y20-I70 CarbonylContact O-C 3.34Å; Y20-I70 WeakPolarHBondContact O-CA 3.32Å; F22-I70 HydrophobicContact CD1-CG2 4.24Å; F22-I70 HydrophobicContact CD2-CG2 3.71Å; F22-I70 HydrophobicContact CE1-CG2 4.29Å; F22-I70 HydrophobicContact CE2-CD1 4Å; F22-I70 HydrophobicContact CE2-CG2 3.8Å; F22-I70 HydrophobicContact CG-CG2 3.92Å; F22-I70 HydrophobicContact CZ-CD1 4.1Å; F22-I70 HydrophobicContact CZ-CG2 4.06Å; T62-I70 WeakPolarHBondContact CA-O 3.22Å; I63-I70 HydrophobicContact CG1-CB 3.99Å; I63-I70 PolarHBondContact N-O 2.92Å; I63-I70 PolarHBondContact O-N 3.46Å; R65-I70 HydrophobicContact CB-CD1 3.86Å; R65-I70 HydrophobicContact CG-CD1 4.43Å; K68-I70 HydrophobicContact CB-CG1 4.43Å; I70-L72 HydrophobicContact CG2-CD2 3.85Å; I70-V179 HydrophobicContact CD1-CG1 4.09Å
71	K	96.2	Very high	89	Confident	31 Å²	31	52 Å²	52	14%	0.135	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	116.2	169.8	-77.8	-171	177.8	-177.9	0	110.4	D15 F18 Y20 M21 F22 T62	D15-K71 VanDerWaalsContact O-CE 3.29Å; D15-K71 WeakPolarHBondContact O-CE 3.28Å; D15-K71 PolarHBondContact O-NZ 3.42Å; F18-K71 HydrophobicContact CB-CD 4.12Å; F18-K71 HydrophobicContact CB-CG 3.88Å; F18-K71 HydrophobicContact CD1-CD 3.48Å; F18-K71 VanDerWaalsContact CD1-CD 3.48Å; F18-K71 HydrophobicContact CD1-CG 4.2Å; F18-K71 HydrophobicContact CD2-CD 4.31Å; F18-K71 HydrophobicContact CD2-CG 4.43Å; F18-K71 HydrophobicContact CE1-CD 3.93Å; F18-K71 HydrophobicContact CG-CB 4.47Å; F18-K71 HydrophobicContact CG-CD 3.68Å; F18-K71 HydrophobicContact CG-CG 3.9Å; Y20-K71 PolarHBondContact O-N 3.34Å; M21-K71 CarbonylContact C-O 3.59Å; M21-K71 VanDerWaalsContact CA-O 3.27Å; M21-K71 WeakPolarHBondContact CA-O 3.46Å; M21-K71 HydrophobicContact CE-CB 4.49Å; M21-K71 HydrophobicContact CE-CD 4.09Å; M21-K71 HydrophobicContact CG-CB 4.42Å; F22-K71 PolarHBondContact N-O 3.46Å; T62-K71 HydrophobicContact CG2-CG 4.49Å
72	L	96.8	Very high	87.7	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	119.6	170.6	-50.8	-174.9	0	0	0	108.9	F22 I24 Y41 V60 K61 I63 I70 I74 V179	F22-L72 HydrophobicContact CB-CD2 3.95Å; F22-L72 HydrophobicContact CD2-CD2 4.02Å; F22-L72 HydrophobicContact CG-CD2 4.36Å; I24-L72 HydrophobicContact CD1-CD1 4.47Å; I24-L72 HydrophobicContact CD1-CD2 4.12Å; Y41-L72 HydrophobicContact CE1-CD1 4.37Å; V60-L72 VanDerWaalsContact CA-O 3.27Å; V60-L72 WeakPolarHBondContact CA-O 3.48Å; K61-L72 PolarHBondContact N-O 2.82Å; K61-L72 WeakPolarHBondContact O-CB 3.45Å; K61-L72 PolarHBondContact O-N 2.85Å; I63-L72 HydrophobicContact CD1-CD1 3.9Å; I63-L72 HydrophobicContact CD1-CD2 4.17Å; I63-L72 HydrophobicContact CD1-CG 4.18Å; I63-L72 HydrophobicContact CG1-CD1 4.3Å; I63-L72 HydrophobicContact CG1-CD2 4.44Å; I63-L72 HydrophobicContact CG1-CG 4.21Å; I63-L72 HydrophobicContact CG2-CD1 4.25Å; I70-L72 HydrophobicContact CG2-CD2 3.85Å; L72-I74 HydrophobicContact CB-CD1 4.2Å; L72-I74 HydrophobicContact CB-CG1 3.95Å; L72-V179 HydrophobicContact CD1-CG2 3.97Å; L72-V179 HydrophobicContact CD2-CG2 3.62Å; L72-V179 HydrophobicContact CG-CG2 4.45Å
73	Q	96.4	Very high	86.5	Confident	48 Å²	48	57.8 Å²	57.8	22%	0.224	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	102.1	165.2	-64.5	-172	-40.6	0	0	107.8	M21 F22 I24 F58	M21-Q73 HydrophobicContact CG-CG 3.98Å; M21-Q73 HydrophobicContact SD-CG 4.06Å; M21-Q73 PolarHBondContact SD-NE2 2.96Å; M21-Q73 VanDerWaalsContact SD-NE2 3.45Å; F22-Q73 PolarHBondContact O-N 2.91Å; I24-Q73 PolarHBondContact N-O 3.4Å; F58-Q73 HydrophobicContact CD2-CB 4.47Å; F58-Q73 HydrophobicContact CE2-CB 4.01Å; F58-Q73 HydrophobicContact CE2-CG 4.04Å
74	I	96.7	Very high	85.3	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	119.6	-174.2	-49.1	165.6	0	0	0	108.3	I24 I26 L38 Y41 F58 K59 L72 F175	I24-I74 WeakPolarHBondContact O-CA 3.19Å; I26-I74 HydrophobicContact CD1-CG2 3.98Å; I26-I74 HydrophobicContact CG1-CG2 4.02Å; L38-I74 HydrophobicContact CD1-CB 3.89Å; L38-I74 HydrophobicContact CD1-CD1 4.03Å; L38-I74 HydrophobicContact CD1-CG2 3.64Å; Y41-I74 HydrophobicContact CD1-CD1 3.79Å; Y41-I74 HydrophobicContact CE1-CD1 3.65Å; F58-I74 WeakPolarHBondContact CA-O 3.46Å; K59-I74 PolarHBondContact N-O 2.81Å; K59-I74 PolarHBondContact O-N 2.9Å; L72-I74 HydrophobicContact CB-CD1 4.2Å; L72-I74 HydrophobicContact CB-CG1 3.95Å; I74-F175 HydrophobicContact CD1-CD1 4.14Å; I74-F175 HydrophobicContact CD1-CE1 3.78Å; I74-F175 HydrophobicContact CG1-CE1 4.3Å; I74-F175 HydrophobicContact CG2-CE1 3.93Å; I74-F175 HydrophobicContact CG2-CZ 4.46Å
75	W	94.9	Very high	84.2	Confident	54 Å²	54	58.1 Å²	58.1	21%	0.205	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.1	-177.8	-63	79.2	0	0	0	109	I24 L25 I26 I56 D57 F58 Y90	I24-W75 PolarHBondContact O-N 2.94Å; L25-W75 HydrophobicContact CD1-CB 4.27Å; L25-W75 HydrophobicContact CD1-CG 4.32Å; L25-W75 HydrophobicContact CG-CB 3.96Å; L25-W75 HydrophobicContact CG-CG 4.49Å; I26-W75 PolarHBondContact N-O 2.85Å; I56-W75 HydrophobicContact CG2-CE3 3.67Å; I56-W75 HydrophobicContact CG2-CZ3 4.3Å; D57-W75 WeakPolarHBondContact O-CA 3.45Å; F58-W75 HydrophobicContact CB-CD2 4.42Å; F58-W75 HydrophobicContact CB-CE3 4.15Å; F58-W75 HydrophobicContact CB-CZ3 4.35Å; F58-W75 HydrophobicContact CD2-CZ2 4.49Å; W75-Y90 HydrophobicContact CD2-CD1 4.44Å; W75-Y90 AromaticContact CE3-CD1 3.74Å; W75-Y90 HydrophobicContact CE3-CD1 3.74Å; W75-Y90 HydrophobicContact CE3-CE1 4.03Å; W75-Y90 HydrophobicContact CH2-CD1 4.19Å; W75-Y90 HydrophobicContact CH2-CE1 4.17Å; W75-Y90 AromaticContact CZ3-CD1 3.6Å; W75-Y90 HydrophobicContact CZ3-CD1 3.6Å; W75-Y90 AromaticContact CZ3-CE1 3.51Å; W75-Y90 HydrophobicContact CZ3-CE1 3.51Å
76	D	92.6	Very high	83.4	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	125.6	171.5	178.5	46.8	0	0	0	109.4	K34 T35 L38 I56 D57	K34-D76 VanDerWaalsContact CB-OD1 3.27Å; K34-D76 WeakPolarHBondContact CB-OD1 3.42Å; T35-D76 WeakPolarHBondContact CA-OD2 3.47Å; T35-D76 VanDerWaalsContact CB-OD2 3.27Å; T35-D76 WeakPolarHBondContact CB-OD2 3.46Å; T35-D76 WeakPolarHBondContact CG2-OD2 3.38Å; T35-D76 PolarHBondContact N-OD1 2.62Å; T35-D76 PolarHBondContact OG1-OD1 3.17Å; T35-D76 PolarHBondContact OG1-OD2 2.99Å; L38-D76 HydrophobicContact CD2-CB 3.68Å; I56-D76 CarbonylContact C-O 3.57Å; I56-D76 WeakPolarHBondContact CA-O 3.22Å; I56-D76 WeakPolarHBondContact CG2-O 3.36Å; D57-D76 HydrophobicContact CB-CB 4.48Å; D57-D76 PolarHBondContact N-O 2.64Å; D57-D76 PolarHBondContact O-N 3.18Å
77	T	87.5	Confident	83.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	146.3	-173.8	75.8	0	0	0	0	111.7	I26 I27 K34 I56 G79 T87	I26-T77 PolarHBondContact O-OG1 3.22Å; I27-T77 HydrophobicContact CG2-CG2 4.41Å; K34-T77 WeakPolarHBondContact CE-O 3.29Å; I56-T77 HydrophobicContact CG1-CG2 4.39Å; T77-G79 PolarHBondContact O-N 3.38Å; T77-T87 HydrophobicContact CG2-CG2 4Å
78	A	81.2	Confident	82.9	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.211	C	C	.	.			trans	-58.3	135.1	164.3	0	0	0	0	0	110.2	T53 G55 Y83	T53-A78 WeakPolarHBondContact O-CB 3.48Å; G55-A78 WeakPolarHBondContact O-CB 3.27Å; G55-A78 PolarHBondContact O-N 3.45Å; A78-Y83 HydrophobicContact CB-CD2 3.7Å; A78-Y83 HydrophobicContact CB-CG 4.24Å
79	G	68.4	Low	82.6	Confident	9 Å²	9	45.6 Å²	45.6	9%	0.093	22%	0.223	C	C	.	.			trans	-93.8	4.6	178	0	0	0	0	0	114.5	G28 N29 S30 T77	G28-G79 VanDerWaalsContact O-CA 3.27Å; G28-G79 WeakPolarHBondContact O-CA 3.4Å; N29-G79 CarbonylContact C-O 3.49Å; S30-G79 PolarHBondContact N-O 3.49Å; T77-G79 PolarHBondContact O-N 3.38Å
80	Q	72.1	Confident	82.3	Confident	36 Å²	36	47.6 Å²	47.6	17%	0.168	23%	0.231	C	C	.	.			trans	-78.2	137.1	177.8	-68	-173.8	13.9	0	0	110.5	R82 Y83	Q80-R82 PolarHBondContact O-N 2.98Å; Q80-Y83 HydrophobicContact CB-CD2 3.92Å; Q80-Y83 HydrophobicContact CB-CE2 4.4Å; Q80-Y83 PolarHBondContact O-N 3.26Å
81	E	65.8	Low	82.2	Confident	136 Å²	136	47.5 Å²	47.5	64%	0.636	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-53	-35.2	176.4	66.4	-64.4	149.9	0	0	112.8	Y83 R84	E81-Y83 PolarHBondContact O-N 3.48Å; E81-Y83 VanDerWaalsContact O-N 3.15Å; E81-R84 VanDerWaalsContact O-CB 3.24Å; E81-R84 WeakPolarHBondContact O-CB 3.49Å; E81-R84 PolarHBondContact O-N 3.39Å; E81-R84 VanDerWaalsContact O-N 3.11Å
82	R	66.7	Low	81.9	Confident	174 Å²	174	54.8 Å²	54.8	66%	0.657	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-61	-22.2	175.3	-64.2	-174	-64.1	171.6	1.8	113.9	Q80	Q80-R82 PolarHBondContact O-N 2.98Å
83	Y	68.4	Low	81.5	Confident	63 Å²	63	56 Å²	56	25%	0.247	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-106.6	7.2	179.5	-57.4	-55.1	0	0	0	113.2	A78 Q80 E81 T85 I86 T87	A78-Y83 HydrophobicContact CB-CD2 3.7Å; A78-Y83 HydrophobicContact CB-CG 4.24Å; Q80-Y83 HydrophobicContact CB-CD2 3.92Å; Q80-Y83 HydrophobicContact CB-CE2 4.4Å; Q80-Y83 PolarHBondContact O-N 3.26Å; E81-Y83 PolarHBondContact O-N 3.48Å; E81-Y83 VanDerWaalsContact O-N 3.15Å; Y83-T85 PolarHBondContact O-N 3.02Å; Y83-I86 HydrophobicContact CD1-CD1 4.09Å; Y83-I86 WeakPolarHBondContact O-CB 3.39Å; Y83-I86 PolarHBondContact O-N 3.47Å; Y83-I86 VanDerWaalsContact O-N 3.12Å; Y83-T87 PolarHBondContact O-N 3.13Å; Y83-T87 PolarHBondContact O-OG1 3.49Å
84	R	69.9	Low	81.5	Confident	60 Å²	60	53.8 Å²	53.8	23%	0.226	26%	0.26	C	S	.	.	H	α-helix	trans	-62.2	-40.6	-175.1	-160.2	168.6	-172.1	-170.1	-5.9	112.8	E81 I86 T87 T88 D114 W115 Q118	E81-R84 VanDerWaalsContact O-CB 3.24Å; E81-R84 WeakPolarHBondContact O-CB 3.49Å; E81-R84 PolarHBondContact O-N 3.39Å; E81-R84 VanDerWaalsContact O-N 3.11Å; R84-I86 VanDerWaalsContact C-N 3.33Å; R84-I86 PolarHBondContact O-N 2.87Å; R84-T87 WeakPolarHBondContact O-CB 3.49Å; R84-T87 PolarHBondContact O-N 3.23Å; R84-T88 PolarHBondContact O-N 2.86Å; R84-T88 VanDerWaalsContact O-N 3.13Å; R84-D114 VanDerWaalsContact NH2-CB 3.27Å; R84-D114 PolarHBondContact NH2-O 2.87Å; R84-W115 HydrophobicContact CG-CH2 3.96Å; R84-W115 HydrophobicContact CG-CZ3 4.07Å; R84-Q118 VanDerWaalsContact CZ-CD 3.49Å
85	T	69.9	Low	81.4	Confident	119 Å²	119	55.8 Å²	55.8	73%	0.73	27%	0.27	S	S	*	.	H	α-helix	trans	-64.7	-35.4	174.8	-50.7	0	0	0	0	112.8	Y83 T87 T88	Y83-T85 PolarHBondContact O-N 3.02Å; T85-T87 VanDerWaalsContact C-N 3.33Å; T85-T88 PolarHBondContact O-OG1 3.16Å; T85-T88 VanDerWaalsContact O-OG1 3.05Å
86	I	72.2	Confident	81.6	Confident	87 Å²	87	53.2 Å²	53.2	45%	0.446	26%	0.26	S	S	.	.	H	α-helix	trans	-68.6	-41.1	176	-60.5	179.4	0	0	0	109.2	I56 Y83 R84 T88 A89 Y90	I56-I86 HydrophobicContact CD1-CG2 4.25Å; Y83-I86 HydrophobicContact CD1-CD1 4.09Å; Y83-I86 WeakPolarHBondContact O-CB 3.39Å; Y83-I86 PolarHBondContact O-N 3.47Å; Y83-I86 VanDerWaalsContact O-N 3.12Å; R84-I86 VanDerWaalsContact C-N 3.33Å; R84-I86 PolarHBondContact O-N 2.87Å; I86-T88 PolarHBondContact O-N 3.07Å; I86-A89 WeakPolarHBondContact O-CB 3.26Å; I86-A89 PolarHBondContact O-N 2.99Å; I86-Y90 HydrophobicContact CG2-CE2 4.1Å; I86-Y90 WeakPolarHBondContact O-CD2 3.01Å; I86-Y90 WeakPolarHBondContact O-CE2 3.35Å
87	T	79.6	Confident	81.8	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-60.5	-44.5	-179.1	-59.3	0	0	0	0	112.1	T77 Y83 R84 T85 A89 Y90 Y91 W115	T77-T87 HydrophobicContact CG2-CG2 4Å; Y83-T87 PolarHBondContact O-N 3.13Å; Y83-T87 PolarHBondContact O-OG1 3.49Å; R84-T87 WeakPolarHBondContact O-CB 3.49Å; R84-T87 PolarHBondContact O-N 3.23Å; T85-T87 VanDerWaalsContact C-N 3.33Å; T87-A89 PolarHBondContact O-N 3.49Å; T87-Y90 PolarHBondContact O-N 3.47Å; T87-Y91 HydrophobicContact CG2-CE1 3.74Å; T87-Y91 WeakPolarHBondContact O-CD1 3.19Å; T87-Y91 WeakPolarHBondContact O-CE1 3.29Å; T87-W115 HydrophobicContact CG2-CZ3 4.46Å
88	T	83.9	Confident	82.3	Confident	22 Å²	22	53.1 Å²	53.1	14%	0.135	26%	0.26	C	S	.	.	H	α-helix	trans	-65.4	-25.6	-179.4	56	0	0	0	0	113.4	R84 T85 I86 Y90 Y91 Y122	R84-T88 PolarHBondContact O-N 2.86Å; R84-T88 VanDerWaalsContact O-N 3.13Å; T85-T88 PolarHBondContact O-OG1 3.16Å; T85-T88 VanDerWaalsContact O-OG1 3.05Å; I86-T88 PolarHBondContact O-N 3.07Å; T88-Y90 PolarHBondContact O-N 3.46Å; T88-Y90 VanDerWaalsContact O-N 3.14Å; T88-Y91 HydrophobicContact CG2-CE2 4.19Å; T88-Y91 WeakPolarHBondContact O-CB 3.27Å; T88-Y91 PolarHBondContact O-N 3.05Å; T88-Y91 VanDerWaalsContact O-N 3.09Å; T88-Y122 HydrophobicContact CG2-CD2 3.73Å; T88-Y122 HydrophobicContact CG2-CE2 4.04Å; T88-Y122 HydrophobicContact CG2-CG 4.48Å
89	A	85.6	Confident	83.1	Confident	75 Å²	75	53.1 Å²	53.1	62%	0.62	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-23.6	174.1	0	0	0	0	0	112.9	I86 T87	I86-A89 WeakPolarHBondContact O-CB 3.26Å; I86-A89 PolarHBondContact O-N 2.99Å; T87-A89 PolarHBondContact O-N 3.49Å
90	Y	88.7	Confident	84.5	Confident	82 Å²	82	52.8 Å²	52.8	32%	0.322	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-7	179.8	-66.5	-100.6	0	0	0	113.3	K23 I56 W75 I86 T87 T88 R92	K23-Y90 WeakPolarHBondContact CE-O 3.27Å; K23-Y90 PolarHBondContact NZ-O 3.18Å; I56-Y90 HydrophobicContact CD1-CD1 4.26Å; I56-Y90 HydrophobicContact CD1-CD2 3.19Å; I56-Y90 HydrophobicContact CD1-CE1 4.21Å; I56-Y90 HydrophobicContact CD1-CE2 3.15Å; I56-Y90 HydrophobicContact CD1-CG 3.79Å; W75-Y90 HydrophobicContact CD2-CD1 4.44Å; W75-Y90 AromaticContact CE3-CD1 3.74Å; W75-Y90 HydrophobicContact CE3-CD1 3.74Å; W75-Y90 HydrophobicContact CE3-CE1 4.03Å; W75-Y90 HydrophobicContact CH2-CD1 4.19Å; W75-Y90 HydrophobicContact CH2-CE1 4.17Å; W75-Y90 AromaticContact CZ3-CD1 3.6Å; W75-Y90 HydrophobicContact CZ3-CD1 3.6Å; W75-Y90 AromaticContact CZ3-CE1 3.51Å; W75-Y90 HydrophobicContact CZ3-CE1 3.51Å; I86-Y90 HydrophobicContact CG2-CE2 4.1Å; I86-Y90 WeakPolarHBondContact O-CD2 3.01Å; I86-Y90 WeakPolarHBondContact O-CE2 3.35Å; T87-Y90 PolarHBondContact O-N 3.47Å; T88-Y90 PolarHBondContact O-N 3.46Å; T88-Y90 VanDerWaalsContact O-N 3.14Å; Y90-R92 PolarHBondContact O-N 3.5Å
91	Y	92.1	Very high	85.8	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.248	C	C	.	.			trans	-69.3	-26.9	-177.9	-72.6	16.6	0	0	0	111.8	L25 I27 T87 T88 G93 A94 F97 Q118 I119	L25-Y91 HydrophobicContact CD2-CD1 3.5Å; L25-Y91 HydrophobicContact CD2-CE1 3.9Å; I27-Y91 HydrophobicContact CG2-CE1 4.04Å; T87-Y91 HydrophobicContact CG2-CE1 3.74Å; T87-Y91 WeakPolarHBondContact O-CD1 3.19Å; T87-Y91 WeakPolarHBondContact O-CE1 3.29Å; T88-Y91 HydrophobicContact CG2-CE2 4.19Å; T88-Y91 WeakPolarHBondContact O-CB 3.27Å; T88-Y91 PolarHBondContact O-N 3.05Å; T88-Y91 VanDerWaalsContact O-N 3.09Å; Y91-G93 PolarHBondContact O-N 3.04Å; Y91-A94 WeakPolarHBondContact O-CB 3.3Å; Y91-A94 PolarHBondContact O-N 2.99Å; Y91-F97 AromaticContact CD1-CE1 3.8Å; Y91-F97 HydrophobicContact CD1-CE1 3.8Å; Y91-F97 HydrophobicContact CD1-CZ 4.3Å; Y91-F97 HydrophobicContact CD2-CE1 4.13Å; Y91-F97 HydrophobicContact CD2-CZ 4.23Å; Y91-F97 HydrophobicContact CE1-CE1 4Å; Y91-F97 HydrophobicContact CE2-CE1 4.34Å; Y91-F97 AromaticContact CG-CE1 3.86Å; Y91-F97 HydrophobicContact CG-CE1 3.86Å; Y91-F97 AromaticContact CG-CZ 3.95Å; Y91-F97 HydrophobicContact CG-CZ 3.95Å; Y91-Q118 HydrophobicContact CE2-CB 4.02Å; Y91-I119 HydrophobicContact CE2-CG1 4.12Å
92	R	89.6	Confident	87.4	Confident	183 Å²	183	44.8 Å²	44.8	69%	0.691	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	126.3	178.1	-173	175.2	176.8	80.8	2.2	111	K23 Y90 A94	K23-R92 PolarHBondContact NZ-O 2.92Å; Y90-R92 PolarHBondContact O-N 3.5Å; R92-A94 PolarHBondContact O-N 3.42Å
93	G	90.3	Very high	88.9	Confident	25 Å²	25	36.5 Å²	36.5	26%	0.258	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	7.5	-179.1	0	0	0	0	0	114.5	Y91 M95	Y91-G93 PolarHBondContact O-N 3.04Å; G93-M95 PolarHBondContact O-N 3.27Å
94	A	95	Very high	90.3	Very high	2 Å²	2	35 Å²	35	2%	0.017	19%	0.185	C	C	.	.			trans	-66.8	128.5	167.5	0	0	0	0	0	109.3	L25 Y91 R92 F97	L25-A94 HydrophobicContact CD1-CB 3.57Å; Y91-A94 WeakPolarHBondContact O-CB 3.3Å; Y91-A94 PolarHBondContact O-N 2.99Å; R92-A94 PolarHBondContact O-N 3.42Å; A94-F97 HydrophobicContact CB-CD2 4.44Å; A94-F97 HydrophobicContact CB-CE1 4.18Å; A94-F97 HydrophobicContact CB-CE2 3.57Å; A94-F97 HydrophobicContact CB-CZ 3.42Å; A94-F97 VanDerWaalsContact CB-CZ 3.42Å
95	M	95.9	Very high	91.7	Very high	42 Å²	42	34.6 Å²	34.6	21%	0.207	19%	0.187	C	C	.	.			trans	-93.6	-27.8	177.2	-60.9	177.1	76.9	0	0	111.2	F22 K23 G93 Q128 I182 M186	F22-M95 HydrophobicContact CB-SD 4.29Å; F22-M95 HydrophobicContact CD1-CE 3.73Å; F22-M95 HydrophobicContact CD1-SD 3.61Å; F22-M95 HydrophobicContact CE1-CE 3.91Å; F22-M95 HydrophobicContact CE1-SD 4.38Å; F22-M95 HydrophobicContact CG-SD 4.24Å; K23-M95 PolarHBondContact O-N 3.29Å; G93-M95 PolarHBondContact O-N 3.27Å; M95-Q128 PolarHBondContact O-N 2.56Å; M95-I182 HydrophobicContact CB-CD1 4.16Å; M95-I182 HydrophobicContact CB-CG1 4.5Å; M95-I182 HydrophobicContact CB-CG2 4.22Å; M95-I182 HydrophobicContact CE-CG2 3.62Å; M95-M186 HydrophobicContact CE-CG 4.15Å; M95-M186 HydrophobicContact CE-SD 3.52Å; M95-M186 VanDerWaalsContact CE-SD 3.52Å
96	G	97.2	Very high	93	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	147.2	-179.4	0	0	0	0	0	112.8	K23 I24 L25 Q128	K23-G96 PolarHBondContact O-N 2.96Å; I24-G96 VanDerWaalsContact CA-O 3.29Å; I24-G96 WeakPolarHBondContact CA-O 3.29Å; L25-G96 PolarHBondContact N-O 3.42Å; G96-Q128 CarbonylContact C-O 3.38Å; G96-Q128 VanDerWaalsContact CA-O 3.25Å; G96-Q128 WeakPolarHBondContact CA-O 3.27Å
97	F	97.9	Very high	94.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	133.5	172	-67.7	-95.1	0	0	0	109.9	L25 I27 Y91 A94 I119 A127 Q128 V129 L130	L25-F97 HydrophobicContact CB-CD1 3.85Å; L25-F97 HydrophobicContact CB-CE1 3.99Å; L25-F97 HydrophobicContact CD2-CE1 3.86Å; L25-F97 HydrophobicContact CG-CE1 4.41Å; L25-F97 CarbonylContact O-C 3.57Å; L25-F97 WeakPolarHBondContact O-CA 3.42Å; I27-F97 HydrophobicContact CD1-CD1 4.27Å; I27-F97 HydrophobicContact CG1-CD1 4.49Å; I27-F97 HydrophobicContact CG2-CD1 4.34Å; Y91-F97 AromaticContact CD1-CE1 3.8Å; Y91-F97 HydrophobicContact CD1-CE1 3.8Å; Y91-F97 HydrophobicContact CD1-CZ 4.3Å; Y91-F97 HydrophobicContact CD2-CE1 4.13Å; Y91-F97 HydrophobicContact CD2-CZ 4.23Å; Y91-F97 HydrophobicContact CE1-CE1 4Å; Y91-F97 HydrophobicContact CE2-CE1 4.34Å; Y91-F97 AromaticContact CG-CE1 3.86Å; Y91-F97 HydrophobicContact CG-CE1 3.86Å; Y91-F97 AromaticContact CG-CZ 3.95Å; Y91-F97 HydrophobicContact CG-CZ 3.95Å; A94-F97 HydrophobicContact CB-CD2 4.44Å; A94-F97 HydrophobicContact CB-CE1 4.18Å; A94-F97 HydrophobicContact CB-CE2 3.57Å; A94-F97 HydrophobicContact CB-CZ 3.42Å; A94-F97 VanDerWaalsContact CB-CZ 3.42Å; F97-I119 HydrophobicContact CB-CD1 4Å; F97-I119 HydrophobicContact CD1-CD1 4.1Å; F97-I119 HydrophobicContact CD1-CG1 3.92Å; F97-I119 HydrophobicContact CD2-CG1 4.49Å; F97-I119 HydrophobicContact CD2-CG2 3.86Å; F97-I119 HydrophobicContact CE1-CG1 4.1Å; F97-I119 HydrophobicContact CE2-CG2 3.84Å; F97-I119 HydrophobicContact CG-CD1 4Å; F97-I119 HydrophobicContact CG-CG1 4.11Å; F97-I119 HydrophobicContact CG-CG2 4.31Å; F97-I119 HydrophobicContact CZ-CG1 4.47Å; F97-I119 HydrophobicContact CZ-CG2 4.24Å; F97-A127 HydrophobicContact CD2-CB 3.98Å; F97-A127 HydrophobicContact CE2-CB 3.67Å; F97-Q128 PolarHBondContact N-O 2.87Å; F97-V129 HydrophobicContact CB-CG1 4.21Å; F97-V129 HydrophobicContact CB-CG2 4.22Å; F97-V129 HydrophobicContact CD2-CG2 4.44Å; F97-V129 WeakPolarHBondContact O-CA 3.25Å; F97-L130 PolarHBondContact O-N 3.16Å
98	I	98.4	Very high	95	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	103.7	162.8	-60.9	176.6	0	0	0	106	I24 L25 I26 I27 M100 V132 T174 F175 L178	I24-I98 HydrophobicContact CG2-CD1 4.41Å; I24-I98 HydrophobicContact CG2-CG1 4.36Å; L25-I98 PolarHBondContact O-N 3.38Å; I26-I98 WeakPolarHBondContact CA-O 3.27Å; I26-I98 HydrophobicContact CG1-CB 4.38Å; I26-I98 HydrophobicContact CG1-CD1 4.4Å; I26-I98 HydrophobicContact CG2-CB 4.22Å; I26-I98 HydrophobicContact CG2-CG2 4.19Å; I27-I98 PolarHBondContact N-O 2.8Å; I98-M100 HydrophobicContact CG2-CE 4.29Å; I98-V132 HydrophobicContact CG2-CB 4.33Å; I98-V132 HydrophobicContact CG2-CG2 3.7Å; I98-T174 HydrophobicContact CD1-CG2 3.97Å; I98-T174 HydrophobicContact CG1-CG2 4.25Å; I98-T174 HydrophobicContact CG2-CG2 4.25Å; I98-F175 HydrophobicContact CD1-CD1 3.77Å; I98-F175 HydrophobicContact CD1-CD2 4.44Å; I98-F175 HydrophobicContact CD1-CE1 3.43Å; I98-F175 VanDerWaalsContact CD1-CE1 3.43Å; I98-F175 HydrophobicContact CD1-CE2 4.15Å; I98-F175 HydrophobicContact CD1-CG 4.26Å; I98-F175 HydrophobicContact CD1-CZ 3.65Å; I98-L178 HydrophobicContact CD1-CD2 4.31Å; I98-L178 HydrophobicContact CG1-CD2 3.69Å
99	L	97.9	Very high	95.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	113.1	176.7	174.5	51.1	0	0	0	108.8	I27 V112 W115 I119 V129 L130 L131 V132 F158	I27-L99 HydrophobicContact CD1-CD1 4.02Å; I27-L99 HydrophobicContact CG1-CB 4.33Å; I27-L99 HydrophobicContact CG1-CD1 3.88Å; L99-V112 HydrophobicContact CD2-CG1 3.75Å; L99-V112 HydrophobicContact CG-CG1 4.24Å; L99-W115 HydrophobicContact CD1-CB 3.45Å; L99-W115 VanDerWaalsContact CD1-CB 3.45Å; L99-W115 HydrophobicContact CD1-CG 3.93Å; L99-W115 HydrophobicContact CD2-CB 4.22Å; L99-I119 HydrophobicContact CD2-CD1 4.43Å; L99-V129 HydrophobicContact CB-CG1 4.09Å; L99-L130 PolarHBondContact N-O 3.07Å; L99-L131 HydrophobicContact CB-CD1 4.48Å; L99-L131 HydrophobicContact CD2-CD1 4.41Å; L99-L131 HydrophobicContact CG-CD1 4.03Å; L99-L131 CarbonylContact O-C 3.55Å; L99-L131 WeakPolarHBondContact O-CA 3.3Å; L99-V132 PolarHBondContact O-N 3.28Å; L99-F158 HydrophobicContact CD2-CE2 4.27Å
100	M	98.4	Very high	96.3	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.2	-169.4	-169.5	176.6	-72.3	0	0	112.3	I26 I27 G28 V32 K34 F37 I98 V132 N134	I26-M100 HydrophobicContact CG2-CE 4.21Å; I27-M100 PolarHBondContact O-N 3.2Å; G28-M100 WeakPolarHBondContact CA-O 3.41Å; V32-M100 HydrophobicContact CB-CG 4.36Å; V32-M100 HydrophobicContact CG2-CB 4.09Å; V32-M100 HydrophobicContact CG2-CG 3.94Å; V32-M100 HydrophobicContact CG2-SD 4.12Å; K34-M100 HydrophobicContact CG-CB 4.43Å; K34-M100 HydrophobicContact CG-SD 4.11Å; F37-M100 HydrophobicContact CB-CE 3.71Å; F37-M100 HydrophobicContact CD1-CE 3.72Å; F37-M100 HydrophobicContact CD2-CE 3.72Å; F37-M100 HydrophobicContact CE1-CE 4.21Å; F37-M100 HydrophobicContact CE2-CE 4.2Å; F37-M100 HydrophobicContact CG-CE 3.45Å; F37-M100 VanDerWaalsContact CG-CE 3.45Å; F37-M100 HydrophobicContact CZ-CE 4.42Å; I98-M100 HydrophobicContact CG2-CE 4.29Å; M100-V132 WeakPolarHBondContact CA-O 3.49Å; M100-V132 HydrophobicContact CE-CG1 4.28Å; M100-N134 HydrophobicContact CE-CB 4.45Å; M100-N134 HydrophobicContact CG-CB 3.8Å; M100-N134 HydrophobicContact SD-CB 3.75Å
101	Y	98.6	Very high	96.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	169.5	163.5	73.5	-88.5	0	0	0	110.2	I103 F109 V112 L131 V132 G133 N134 V144 F160	Y101-I103 HydrophobicContact CE2-CG2 4Å; Y101-F109 HydrophobicContact CD1-CD2 4.06Å; Y101-F109 HydrophobicContact CD2-CB 3.94Å; Y101-F109 AromaticContact CD2-CD2 3.87Å; Y101-F109 HydrophobicContact CD2-CD2 3.87Å; Y101-F109 HydrophobicContact CD2-CG 4.39Å; Y101-F109 AromaticContact CE1-CD2 3.91Å; Y101-F109 HydrophobicContact CE1-CD2 3.91Å; Y101-F109 HydrophobicContact CE1-CE2 4.27Å; Y101-F109 HydrophobicContact CE2-CB 4.44Å; Y101-F109 AromaticContact CE2-CD2 3.74Å; Y101-F109 HydrophobicContact CE2-CD2 3.74Å; Y101-F109 HydrophobicContact CE2-CG 4.49Å; Y101-F109 HydrophobicContact CG-CB 4.3Å; Y101-F109 HydrophobicContact CG-CD2 4.04Å; Y101-F109 AromaticContact CZ-CD2 3.76Å; Y101-V112 HydrophobicContact CD1-CG2 4.05Å; Y101-V112 HydrophobicContact CG-CG2 4.3Å; Y101-L131 HydrophobicContact CD1-CD1 3.94Å; Y101-L131 HydrophobicContact CD1-CG 4.38Å; Y101-L131 HydrophobicContact CE1-CD1 4.2Å; Y101-L131 HydrophobicContact CE1-CD2 4.29Å; Y101-L131 HydrophobicContact CE1-CG 4.14Å; Y101-V132 PolarHBondContact N-O 2.99Å; Y101-G133 VanDerWaalsContact CZ-CA 3.47Å; Y101-N134 PolarHBondContact O-N 3.36Å; Y101-V144 HydrophobicContact CE2-CB 4.08Å; Y101-V144 HydrophobicContact CE2-CG1 3.71Å; Y101-V144 HydrophobicContact CE2-CG2 4.45Å; Y101-F160 AromaticContact CE1-CE2 3.94Å; Y101-F160 HydrophobicContact CE1-CE2 3.94Å; Y101-F160 WeakPolarHBondContact OH-CE2 3.34Å; Y101-F160 WeakPolarHBondContact OH-CZ 3.37Å
102	D	98.4	Very high	96.9	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.027	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125.6	176.8	177.1	0.6	0	0	0	109.7	V32 T104 N105 S108 K135	V32-D102 HydrophobicContact CB-CB 4.18Å; V32-D102 HydrophobicContact CG1-CB 4.12Å; D102-T104 PolarHBondContact O-N 3.12Å; D102-T104 VanDerWaalsContact O-N 3.15Å; D102-T104 PolarHBondContact OD1-N 2.94Å; D102-T104 PolarHBondContact OD1-OG1 3.36Å; D102-T104 PolarHBondContact OD2-OG1 3.38Å; D102-N105 HydrophobicContact CB-CB 4Å; D102-N105 PolarHBondContact O-N 2.92Å; D102-S108 PolarHBondContact N-OG 3.11Å; D102-S108 PolarHBondContact O-OG 3.24Å; D102-K135 WeakPolarHBondContact OD1-CD 3.47Å; D102-K135 WeakPolarHBondContact OD2-CD 3.38Å; D102-K135 WeakPolarHBondContact OD2-CE 3.43Å; D102-K135 IonicContact OD2-NZ 2.69Å; D102-K135 PolarHBondContact OD2-NZ 3.37Å
103	I	98.8	Very high	97.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-17.5	-177.2	65.9	150.2	0	0	0	113.6	Y101 N134 K135 C136 R142 V143 V144	Y101-I103 HydrophobicContact CE2-CG2 4Å; I103-N134 PolarHBondContact N-O 3.27Å; I103-N134 VanDerWaalsContact N-O 3.1Å; I103-K135 WeakPolarHBondContact CD1-O 3.41Å; I103-K135 WeakPolarHBondContact CG1-O 3.19Å; I103-C136 HydrophobicContact CD1-CB 4.48Å; I103-R142 HydrophobicContact CD1-CB 4.24Å; I103-R142 HydrophobicContact CD1-CG 4.21Å; I103-V143 PolarHBondContact O-N 3.2Å; I103-V144 PolarHBondContact O-N 2.91Å
104	T	98.5	Very high	97.3	Very high	32 Å²	32	31 Å²	31	20%	0.196	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	1.6	176.6	73.8	0	0	0	0	112.5	D102 M138 E141 V143	D102-T104 PolarHBondContact O-N 3.12Å; D102-T104 VanDerWaalsContact O-N 3.15Å; D102-T104 PolarHBondContact OD1-N 2.94Å; D102-T104 PolarHBondContact OD1-OG1 3.36Å; D102-T104 PolarHBondContact OD2-OG1 3.38Å; T104-M138 HydrophobicContact CG2-CB 3.64Å; T104-M138 HydrophobicContact CG2-CE 4.24Å; T104-M138 HydrophobicContact CG2-SD 4.24Å; T104-E141 WeakPolarHBondContact CB-O 3.27Å; T104-E141 HydrophobicContact CG2-CB 3.78Å; T104-V143 VanDerWaalsContact C-CG2 3.44Å; T104-V143 WeakPolarHBondContact O-CG2 3.33Å
105	N	98.1	Very high	97.3	Very high	50 Å²	50	31.1 Å²	31.1	27%	0.267	16%	0.158	S	C	.	.			trans	-131.5	101.3	-177	-172.8	-40.1	0	0	0	112.3	D102 E107 S108 F109	D102-N105 HydrophobicContact CB-CB 4Å; D102-N105 PolarHBondContact O-N 2.92Å; N105-E107 VanDerWaalsContact C-N 3.32Å; N105-E107 PolarHBondContact O-N 2.85Å; N105-E107 WeakPolarHBondContact OD1-CA 3.27Å; N105-E107 WeakPolarHBondContact OD1-CB 3.43Å; N105-E107 PolarHBondContact OD1-N 3.33Å; N105-S108 WeakPolarHBondContact O-CB 3.45Å; N105-S108 PolarHBondContact O-N 2.85Å; N105-S108 PolarHBondContact O-OG 2.86Å; N105-S108 PolarHBondContact OD1-N 2.85Å; N105-F109 PolarHBondContact O-N 3.03Å
106	E	97.9	Very high	97.2	Very high	61 Å²	61	29.2 Å²	29.2	29%	0.285	15%	0.148	S	C	.	.	H	α-helix	trans	-59	-37.1	178.7	-173.1	67.2	-160.5	0	0	113.3	S108 F109 N110 V143 R148	E106-S108 VanDerWaalsContact C-N 3.32Å; E106-S108 PolarHBondContact O-N 3.47Å; E106-F109 PolarHBondContact O-N 3.12Å; E106-N110 PolarHBondContact O-N 2.91Å; E106-N110 PolarHBondContact O-ND2 2.75Å; E106-V143 HydrophobicContact CB-CG2 4.11Å; E106-R148 IonicContact OE1-CZ 3.63Å; E106-R148 VanDerWaalsContact OE1-CZ 3.25Å; E106-R148 IonicContact OE1-NH1 2.78Å; E106-R148 PolarHBondContact OE1-NH1 2.94Å; E106-R148 IonicContact OE1-NH2 3.67Å; E106-R148 PolarHBondContact OE1-NH2 3.13Å; E106-R148 IonicContact OE2-CZ 3.86Å; E106-R148 IonicContact OE2-NH1 3.54Å; E106-R148 PolarHBondContact OE2-NH1 3.46Å; E106-R148 IonicContact OE2-NH2 3.99Å
107	E	97	Very high	97	Very high	141 Å²	141	33 Å²	33	66%	0.659	17%	0.172	S	C	*	.	H	α-helix	trans	-64.2	-40.2	178.7	-174	-175.1	175.8	0	0	111.2	N105 F109 N110 A111	N105-E107 VanDerWaalsContact C-N 3.32Å; N105-E107 PolarHBondContact O-N 2.85Å; N105-E107 WeakPolarHBondContact OD1-CA 3.27Å; N105-E107 WeakPolarHBondContact OD1-CB 3.43Å; N105-E107 PolarHBondContact OD1-N 3.33Å; E107-F109 VanDerWaalsContact C-N 3.28Å; E107-F109 PolarHBondContact O-N 3.15Å; E107-N110 PolarHBondContact O-N 2.82Å; E107-A111 WeakPolarHBondContact O-CB 3.34Å; E107-A111 PolarHBondContact O-N 2.78Å
108	S	97.8	Very high	96.7	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.007	18%	0.179	C	C	.	.	H	α-helix	trans	-63.5	-34.9	176.6	81.1	0	0	0	0	112.6	D102 N105 E106	D102-S108 PolarHBondContact N-OG 3.11Å; D102-S108 PolarHBondContact O-OG 3.24Å; N105-S108 WeakPolarHBondContact O-CB 3.45Å; N105-S108 PolarHBondContact O-N 2.85Å; N105-S108 PolarHBondContact O-OG 2.86Å; N105-S108 PolarHBondContact OD1-N 2.85Å; E106-S108 VanDerWaalsContact C-N 3.32Å; E106-S108 PolarHBondContact O-N 3.47Å
109	F	98.5	Very high	96.5	Very high	15 Å²	15	34.8 Å²	34.8	7%	0.066	18%	0.18	C	C	.	.	H	α-helix	trans	-70.9	-44.6	175.4	177.5	-103.6	0	0	0	111.7	Y101 N105 E106 E107 A111 V112 V144 R148 L152	Y101-F109 HydrophobicContact CD1-CD2 4.06Å; Y101-F109 HydrophobicContact CD2-CB 3.94Å; Y101-F109 AromaticContact CD2-CD2 3.87Å; Y101-F109 HydrophobicContact CD2-CD2 3.87Å; Y101-F109 HydrophobicContact CD2-CG 4.39Å; Y101-F109 AromaticContact CE1-CD2 3.91Å; Y101-F109 HydrophobicContact CE1-CD2 3.91Å; Y101-F109 HydrophobicContact CE1-CE2 4.27Å; Y101-F109 HydrophobicContact CE2-CB 4.44Å; Y101-F109 AromaticContact CE2-CD2 3.74Å; Y101-F109 HydrophobicContact CE2-CD2 3.74Å; Y101-F109 HydrophobicContact CE2-CG 4.49Å; Y101-F109 HydrophobicContact CG-CB 4.3Å; Y101-F109 HydrophobicContact CG-CD2 4.04Å; Y101-F109 AromaticContact CZ-CD2 3.76Å; N105-F109 PolarHBondContact O-N 3.03Å; E106-F109 PolarHBondContact O-N 3.12Å; E107-F109 VanDerWaalsContact C-N 3.28Å; E107-F109 PolarHBondContact O-N 3.15Å; F109-A111 PolarHBondContact O-N 3.5Å; F109-V112 WeakPolarHBondContact O-CB 3.25Å; F109-V112 VanDerWaalsContact O-CG2 3.24Å; F109-V112 WeakPolarHBondContact O-CG2 3.27Å; F109-V112 PolarHBondContact O-N 2.94Å; F109-V112 VanDerWaalsContact O-N 3.09Å; F109-V144 HydrophobicContact CB-CG1 4.42Å; F109-V144 HydrophobicContact CB-CG2 3.77Å; F109-V144 HydrophobicContact CD1-CG1 4.32Å; F109-V144 HydrophobicContact CD2-CG1 3.74Å; F109-V144 HydrophobicContact CE2-CG1 4.01Å; F109-V144 HydrophobicContact CG-CG1 3.9Å; F109-V144 HydrophobicContact CG-CG2 4.06Å; F109-V144 HydrophobicContact CZ-CG1 4.41Å; F109-R148 HydrophobicContact CE1-CB 4.38Å; F109-R148 HydrophobicContact CZ-CB 3.95Å; F109-L152 HydrophobicContact CD2-CD2 4.18Å; F109-L152 HydrophobicContact CE1-CD2 4.3Å; F109-L152 HydrophobicContact CE2-CB 4.18Å; F109-L152 HydrophobicContact CE2-CD2 3.5Å; F109-L152 VanDerWaalsContact CE2-CD2 3.5Å; F109-L152 HydrophobicContact CE2-CG 4.49Å; F109-L152 HydrophobicContact CZ-CB 3.94Å; F109-L152 HydrophobicContact CZ-CD2 3.57Å; F109-L152 HydrophobicContact CZ-CG 4.38Å
110	N	97.3	Very high	96.2	Very high	91 Å²	91	41 Å²	41	49%	0.487	21%	0.207	S	C	.	.	H	α-helix	trans	-61.8	-34.2	177.6	-69	-30.5	0	0	0	112.1	E106 E107 V112	E106-N110 PolarHBondContact O-N 2.91Å; E106-N110 PolarHBondContact O-ND2 2.75Å; E107-N110 PolarHBondContact O-N 2.82Å; N110-V112 PolarHBondContact O-N 3Å
111	A	96.2	Very high	95.9	Very high	13 Å²	13	45 Å²	45	11%	0.107	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-14.5	177.4	0	0	0	0	0	114.4	N29 E107 F109 Q113 D114 W115	N29-A111 WeakPolarHBondContact OD1-CB 3.42Å; E107-A111 WeakPolarHBondContact O-CB 3.34Å; E107-A111 PolarHBondContact O-N 2.78Å; F109-A111 PolarHBondContact O-N 3.5Å; A111-Q113 PolarHBondContact O-N 2.94Å; A111-D114 PolarHBondContact O-N 2.93Å; A111-D114 VanDerWaalsContact O-N 3.12Å; A111-W115 PolarHBondContact O-N 2.98Å
112	V	96.9	Very high	95.5	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-56.3	-38.5	-179.4	169.3	0	0	0	0	111.7	L99 Y101 F109 N110 D114 W115 S116 L131 L152 L156	L99-V112 HydrophobicContact CD2-CG1 3.75Å; L99-V112 HydrophobicContact CG-CG1 4.24Å; Y101-V112 HydrophobicContact CD1-CG2 4.05Å; Y101-V112 HydrophobicContact CG-CG2 4.3Å; F109-V112 WeakPolarHBondContact O-CB 3.25Å; F109-V112 VanDerWaalsContact O-CG2 3.24Å; F109-V112 WeakPolarHBondContact O-CG2 3.27Å; F109-V112 PolarHBondContact O-N 2.94Å; F109-V112 VanDerWaalsContact O-N 3.09Å; N110-V112 PolarHBondContact O-N 3Å; V112-D114 PolarHBondContact O-N 3.23Å; V112-W115 PolarHBondContact O-N 3.45Å; V112-S116 WeakPolarHBondContact O-CB 3.45Å; V112-S116 PolarHBondContact O-N 2.56Å; V112-L131 HydrophobicContact CG1-CD1 3.59Å; V112-L131 HydrophobicContact CG2-CD1 4.05Å; V112-L152 HydrophobicContact CB-CD2 3.9Å; V112-L152 HydrophobicContact CG1-CD2 3.67Å; V112-L152 HydrophobicContact CG1-CG 4.42Å; V112-L156 HydrophobicContact CG1-CD1 3.96Å
113	Q	95.5	Very high	95.1	Very high	107 Å²	107	51.8 Å²	51.8	50%	0.5	26%	0.261	S	S	.	.	H	α-helix	trans	-65	-40.5	179.2	-67.4	-175.6	13.6	0	0	112.1	A111 S116 T117 L152	A111-Q113 PolarHBondContact O-N 2.94Å; Q113-S116 PolarHBondContact O-N 2.84Å; Q113-T117 PolarHBondContact O-N 2.67Å; Q113-T117 PolarHBondContact O-OG1 3.45Å; Q113-L152 HydrophobicContact CG-CD1 4.07Å
114	D	93.9	Very high	94.2	Very high	90 Å²	90	56.9 Å²	56.9	48%	0.481	28%	0.281	S	S	.	.	H	α-helix	trans	-68.1	-40.7	177.5	-64.5	-15.7	0	0	0	111	R84 A111 V112 T117 Q118	R84-D114 VanDerWaalsContact NH2-CB 3.27Å; R84-D114 PolarHBondContact NH2-O 2.87Å; A111-D114 PolarHBondContact O-N 2.93Å; A111-D114 VanDerWaalsContact O-N 3.12Å; V112-D114 PolarHBondContact O-N 3.23Å; D114-T117 PolarHBondContact O-N 3.33Å; D114-Q118 WeakPolarHBondContact O-CG 3.19Å; D114-Q118 PolarHBondContact O-N 3.21Å
115	W	94.4	Very high	93.2	Very high	4 Å²	4	63.2 Å²	63.2	2%	0.015	31%	0.313	C	S	.	.	H	α-helix	trans	-62.9	-42.7	174.4	-73.7	115.9	0	0	0	112	I27 N29 R84 T87 L99 A111 V112 T117 Q118 I119	I27-W115 HydrophobicContact CD1-CB 4.2Å; I27-W115 HydrophobicContact CD1-CE3 4.12Å; N29-W115 PolarHBondContact OD1-NE1 3Å; R84-W115 HydrophobicContact CG-CH2 3.96Å; R84-W115 HydrophobicContact CG-CZ3 4.07Å; T87-W115 HydrophobicContact CG2-CZ3 4.46Å; L99-W115 HydrophobicContact CD1-CB 3.45Å; L99-W115 VanDerWaalsContact CD1-CB 3.45Å; L99-W115 HydrophobicContact CD1-CG 3.93Å; L99-W115 HydrophobicContact CD2-CB 4.22Å; A111-W115 PolarHBondContact O-N 2.98Å; V112-W115 PolarHBondContact O-N 3.45Å; W115-T117 VanDerWaalsContact C-N 3.34Å; W115-T117 PolarHBondContact O-N 2.79Å; W115-Q118 WeakPolarHBondContact O-CB 3.42Å; W115-Q118 PolarHBondContact O-N 2.86Å; W115-I119 WeakPolarHBondContact O-CG1 3.21Å; W115-I119 PolarHBondContact O-N 3.42Å
116	S	94.3	Very high	92.4	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.014	32%	0.319	C	S	.	.	H	α-helix	trans	-59.4	-44.4	174.7	179.4	0	0	0	0	111.5	V112 Q113 Q118 I119 K120 F158	V112-S116 WeakPolarHBondContact O-CB 3.45Å; V112-S116 PolarHBondContact O-N 2.56Å; Q113-S116 PolarHBondContact O-N 2.84Å; S116-Q118 VanDerWaalsContact C-N 3.3Å; S116-Q118 PolarHBondContact O-N 3.27Å; S116-I119 PolarHBondContact O-N 3.28Å; S116-K120 WeakPolarHBondContact O-CG 3.46Å; S116-K120 PolarHBondContact O-N 3.15Å; S116-F158 WeakPolarHBondContact OG-CE2 3.36Å; S116-F158 VanDerWaalsContact OG-CZ 3.3Å; S116-F158 WeakPolarHBondContact OG-CZ 3.39Å
117	T	93.3	Very high	92.2	Very high	80 Å²	80	62.1 Å²	62.1	49%	0.491	31%	0.312	S	S	.	.	H	α-helix	trans	-60.1	-41.2	175.5	-58.6	0	0	0	0	111.5	Q113 D114 W115 K120 T121	Q113-T117 PolarHBondContact O-N 2.67Å; Q113-T117 PolarHBondContact O-OG1 3.45Å; D114-T117 PolarHBondContact O-N 3.33Å; W115-T117 VanDerWaalsContact C-N 3.34Å; W115-T117 PolarHBondContact O-N 2.79Å; T117-K120 PolarHBondContact O-N 3.28Å; T117-T121 WeakPolarHBondContact O-CB 3.35Å; T117-T121 PolarHBondContact O-N 2.83Å; T117-T121 PolarHBondContact O-OG1 3.3Å
118	Q	91.7	Very high	92.1	Very high	33 Å²	33	57.4 Å²	57.4	15%	0.154	29%	0.29	C	S	.	.	H	α-helix	trans	-66.4	-39.8	176.3	-72.5	-172.9	-23.3	0	0	113.4	R84 Y91 D114 W115 S116 T121 Y122	R84-Q118 VanDerWaalsContact CZ-CD 3.49Å; Y91-Q118 HydrophobicContact CE2-CB 4.02Å; D114-Q118 WeakPolarHBondContact O-CG 3.19Å; D114-Q118 PolarHBondContact O-N 3.21Å; W115-Q118 WeakPolarHBondContact O-CB 3.42Å; W115-Q118 PolarHBondContact O-N 2.86Å; S116-Q118 VanDerWaalsContact C-N 3.3Å; S116-Q118 PolarHBondContact O-N 3.27Å; Q118-T121 PolarHBondContact O-N 3.43Å; Q118-Y122 HydrophobicContact CB-CD2 4.31Å; Q118-Y122 HydrophobicContact CG-CE2 4.42Å; Q118-Y122 VanDerWaalsContact O-CD2 3.27Å; Q118-Y122 WeakPolarHBondContact O-CD2 3.18Å; Q118-Y122 PolarHBondContact O-N 2.9Å
119	I	93.1	Very high	92.1	Very high	5 Å²	5	58.1 Å²	58.1	3%	0.026	29%	0.294	C	S	.	.	H	α-helix	trans	-56.9	-56.9	172.8	-67.1	163.2	0	0	0	108.1	I27 Y91 F97 L99 W115 S116 T121 Y122 S123 V129	I27-I119 HydrophobicContact CD1-CD1 3.43Å; I27-I119 VanDerWaalsContact CD1-CD1 3.43Å; I27-I119 HydrophobicContact CD1-CG1 3.62Å; I27-I119 HydrophobicContact CG1-CD1 4.43Å; Y91-I119 HydrophobicContact CE2-CG1 4.12Å; F97-I119 HydrophobicContact CB-CD1 4Å; F97-I119 HydrophobicContact CD1-CD1 4.1Å; F97-I119 HydrophobicContact CD1-CG1 3.92Å; F97-I119 HydrophobicContact CD2-CG1 4.49Å; F97-I119 HydrophobicContact CD2-CG2 3.86Å; F97-I119 HydrophobicContact CE1-CG1 4.1Å; F97-I119 HydrophobicContact CE2-CG2 3.84Å; F97-I119 HydrophobicContact CG-CD1 4Å; F97-I119 HydrophobicContact CG-CG1 4.11Å; F97-I119 HydrophobicContact CG-CG2 4.31Å; F97-I119 HydrophobicContact CZ-CG1 4.47Å; F97-I119 HydrophobicContact CZ-CG2 4.24Å; L99-I119 HydrophobicContact CD2-CD1 4.43Å; W115-I119 WeakPolarHBondContact O-CG1 3.21Å; W115-I119 PolarHBondContact O-N 3.42Å; S116-I119 PolarHBondContact O-N 3.28Å; I119-T121 PolarHBondContact O-N 2.83Å; I119-Y122 PolarHBondContact O-N 2.76Å; I119-Y122 VanDerWaalsContact O-N 3.16Å; I119-S123 WeakPolarHBondContact CG2-OG 3.47Å; I119-S123 WeakPolarHBondContact O-CB 3.36Å; I119-S123 PolarHBondContact O-N 2.99Å; I119-S123 PolarHBondContact O-OG 3.07Å; I119-V129 HydrophobicContact CD1-CG1 4.07Å; I119-V129 HydrophobicContact CD1-CG2 4.2Å; I119-V129 HydrophobicContact CG2-CG2 4.02Å
120	K	91.5	Very high	92.1	Very high	130 Å²	130	57.4 Å²	57.4	57%	0.565	29%	0.291	S	S	*	.	H	α-helix	trans	-56.1	-30.9	-179.1	-67.4	178.9	-176.8	-175.2	0	114	S116 T117	S116-K120 WeakPolarHBondContact O-CG 3.46Å; S116-K120 PolarHBondContact O-N 3.15Å; T117-K120 PolarHBondContact O-N 3.28Å
121	T	91.9	Very high	92.2	Very high	86 Å²	86	53 Å²	53	53%	0.528	27%	0.267	S	S	.	.	H	α-helix	trans	-81.9	-36.1	-178.4	-54.7	0	0	0	0	113.1	T117 Q118 I119	T117-T121 WeakPolarHBondContact O-CB 3.35Å; T117-T121 PolarHBondContact O-N 2.83Å; T117-T121 PolarHBondContact O-OG1 3.3Å; Q118-T121 PolarHBondContact O-N 3.43Å; I119-T121 PolarHBondContact O-N 2.83Å
122	Y	90.8	Very high	92.3	Very high	126 Å²	126	52.4 Å²	52.4	49%	0.494	26%	0.262	S	S	.	.	H	α-helix	trans	-119.8	-10.3	-167.3	-57.4	-66.9	0	0	0	114.7	T88 Q118 I119	T88-Y122 HydrophobicContact CG2-CD2 3.73Å; T88-Y122 HydrophobicContact CG2-CE2 4.04Å; T88-Y122 HydrophobicContact CG2-CG 4.48Å; Q118-Y122 HydrophobicContact CB-CD2 4.31Å; Q118-Y122 HydrophobicContact CG-CE2 4.42Å; Q118-Y122 VanDerWaalsContact O-CD2 3.27Å; Q118-Y122 WeakPolarHBondContact O-CD2 3.18Å; Q118-Y122 PolarHBondContact O-N 2.9Å; I119-Y122 PolarHBondContact O-N 2.76Å; I119-Y122 VanDerWaalsContact O-N 3.16Å
123	S	89.8	Confident	92.4	Very high	21 Å²	21	52.4 Å²	52.4	15%	0.147	26%	0.262	C	S	.	.	S	Bend	trans	-87	178.4	174.4	77.6	0	0	0	0	112.1	I119	I119-S123 WeakPolarHBondContact CG2-OG 3.47Å; I119-S123 WeakPolarHBondContact O-CB 3.36Å; I119-S123 PolarHBondContact O-N 2.99Å; I119-S123 PolarHBondContact O-OG 3.07Å
124	W	80	Confident	92.5	Very high	106 Å²	106	47.5 Å²	47.5	40%	0.402	24%	0.24	S	C	.	.			trans	-80.3	153.7	169.9	-69.5	12.6	0	0	0	110.2	N126 A127	W124-N126 PolarHBondContact O-N 3.24Å; W124-N126 VanDerWaalsContact O-N 3.07Å; W124-A127 WeakPolarHBondContact O-CB 3.49Å; W124-A127 PolarHBondContact O-N 3.29Å; W124-A127 VanDerWaalsContact O-N 3.07Å
125	D	76.8	Confident	92.8	Very high	165 Å²	165	45.5 Å²	45.5	88%	0.882	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-24.4	-176.3	-66.3	-20.8	0	0	0	113.6
126	N	81.8	Confident	92.9	Very high	73 Å²	73	46.4 Å²	46.4	39%	0.39	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	12.5	-178.4	-70	-29.6	0	0	0	114.3	W124 Q128	W124-N126 PolarHBondContact O-N 3.24Å; W124-N126 VanDerWaalsContact O-N 3.07Å; N126-Q128 PolarHBondContact O-N 3.45Å; N126-Q128 PolarHBondContact O-NE2 2.92Å
127	A	93.1	Very high	93.1	Very high	16 Å²	16	48.1 Å²	48.1	13%	0.132	24%	0.242	C	C	.	.			trans	-68.3	129.7	177.4	0	0	0	0	0	111.4	F97 W124	F97-A127 HydrophobicContact CD2-CB 3.98Å; F97-A127 HydrophobicContact CE2-CB 3.67Å; W124-A127 WeakPolarHBondContact O-CB 3.49Å; W124-A127 PolarHBondContact O-N 3.29Å; W124-A127 VanDerWaalsContact O-N 3.07Å
128	Q	96.5	Very high	93.3	Very high	41 Å²	41	46.6 Å²	46.6	19%	0.192	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	141.9	-179.5	-55.7	-53.7	-53	0	0	110.4	M95 G96 F97 N126 L178 I181 I182	M95-Q128 PolarHBondContact O-N 2.56Å; G96-Q128 CarbonylContact C-O 3.38Å; G96-Q128 VanDerWaalsContact CA-O 3.25Å; G96-Q128 WeakPolarHBondContact CA-O 3.27Å; F97-Q128 PolarHBondContact N-O 2.87Å; N126-Q128 PolarHBondContact O-N 3.45Å; N126-Q128 PolarHBondContact O-NE2 2.92Å; Q128-L178 HydrophobicContact CB-CD1 3.94Å; Q128-I181 HydrophobicContact CB-CG2 4.01Å; Q128-I181 HydrophobicContact CG-CG2 3.75Å; Q128-I181 VanDerWaalsContact OE1-CG2 3.23Å; Q128-I182 HydrophobicContact CB-CG1 4.06Å; Q128-I182 HydrophobicContact CG-CG1 3.92Å
129	V	97.3	Very high	93.6	Very high	16 Å²	16	50.1 Å²	50.1	10%	0.097	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	128.9	-176.3	-170.7	0	0	0	0	110.1	F97 L99 I119 F158	F97-V129 HydrophobicContact CB-CG1 4.21Å; F97-V129 HydrophobicContact CB-CG2 4.22Å; F97-V129 HydrophobicContact CD2-CG2 4.44Å; F97-V129 WeakPolarHBondContact O-CA 3.25Å; L99-V129 HydrophobicContact CB-CG1 4.09Å; I119-V129 HydrophobicContact CD1-CG1 4.07Å; I119-V129 HydrophobicContact CD1-CG2 4.2Å; I119-V129 HydrophobicContact CG2-CG2 4.02Å; V129-F158 HydrophobicContact CB-CD1 3.73Å; V129-F158 HydrophobicContact CB-CD2 4.29Å; V129-F158 HydrophobicContact CB-CE1 3.71Å; V129-F158 HydrophobicContact CB-CE2 4.24Å; V129-F158 HydrophobicContact CB-CG 4.06Å; V129-F158 HydrophobicContact CB-CZ 3.96Å; V129-F158 HydrophobicContact CG1-CD1 4.2Å; V129-F158 HydrophobicContact CG1-CD2 3.82Å; V129-F158 HydrophobicContact CG1-CE1 4.13Å; V129-F158 HydrophobicContact CG1-CE2 3.73Å; V129-F158 HydrophobicContact CG1-CG 4.07Å; V129-F158 HydrophobicContact CG1-CZ 3.89Å; V129-F158 HydrophobicContact CG2-CD1 4.44Å; V129-F158 HydrophobicContact CG2-CE1 3.95Å; V129-F158 HydrophobicContact CG2-CZ 4.12Å
130	L	98.3	Very high	93.8	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.5	165.2	-73.2	-173.6	0	0	0	110	F97 L99 E159 F161 T174 R177 L178 I181	F97-L130 PolarHBondContact O-N 3.16Å; L99-L130 PolarHBondContact N-O 3.07Å; L130-E159 HydrophobicContact CD2-CB 3.31Å; L130-E159 HydrophobicContact CD2-CG 4.48Å; L130-F161 HydrophobicContact CD1-CD2 4.44Å; L130-F161 HydrophobicContact CD1-CE2 4.29Å; L130-F161 HydrophobicContact CD2-CE2 4.47Å; L130-T174 HydrophobicContact CD1-CG2 3.98Å; L130-T174 WeakPolarHBondContact CD1-O 3.27Å; L130-R177 HydrophobicContact CD1-CB 4.33Å; L130-R177 HydrophobicContact CD1-CG 4.48Å; L130-L178 HydrophobicContact CD1-CB 3.7Å; L130-L178 HydrophobicContact CG-CB 4.23Å; L130-L178 HydrophobicContact CG-CD1 4.25Å; L130-I181 HydrophobicContact CD2-CD1 3.84Å; L130-I181 HydrophobicContact CG-CD1 4.48Å
131	L	98.8	Very high	94.1	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	131.8	168.7	-176	64	0	0	0	109.7	L99 Y101 V112 F158 E159 F160 F161	L99-L131 HydrophobicContact CB-CD1 4.48Å; L99-L131 HydrophobicContact CD2-CD1 4.41Å; L99-L131 HydrophobicContact CG-CD1 4.03Å; L99-L131 CarbonylContact O-C 3.55Å; L99-L131 WeakPolarHBondContact O-CA 3.3Å; Y101-L131 HydrophobicContact CD1-CD1 3.94Å; Y101-L131 HydrophobicContact CD1-CG 4.38Å; Y101-L131 HydrophobicContact CE1-CD1 4.2Å; Y101-L131 HydrophobicContact CE1-CD2 4.29Å; Y101-L131 HydrophobicContact CE1-CG 4.14Å; V112-L131 HydrophobicContact CG1-CD1 3.59Å; V112-L131 HydrophobicContact CG2-CD1 4.05Å; L131-F158 HydrophobicContact CB-CB 4.48Å; L131-E159 PolarHBondContact N-O 2.86Å; L131-F160 HydrophobicContact CB-CD2 4.12Å; L131-F160 HydrophobicContact CD2-CD2 3.96Å; L131-F160 HydrophobicContact CD2-CE2 4.45Å; L131-F160 HydrophobicContact CG-CD2 3.89Å; L131-F160 HydrophobicContact CG-CE2 4.41Å; L131-F160 WeakPolarHBondContact O-CA 3.45Å; L131-F160 WeakPolarHBondContact O-CD2 3.35Å; L131-F161 PolarHBondContact O-N 2.91Å
132	V	98.9	Very high	94.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	118.2	179.6	-177.8	0	0	0	0	110.9	F37 I98 L99 M100 Y101 F161 A163 T174	F37-V132 HydrophobicContact CE2-CG1 4.44Å; F37-V132 HydrophobicContact CZ-CG1 4.42Å; I98-V132 HydrophobicContact CG2-CB 4.33Å; I98-V132 HydrophobicContact CG2-CG2 3.7Å; L99-V132 PolarHBondContact O-N 3.28Å; M100-V132 WeakPolarHBondContact CA-O 3.49Å; M100-V132 HydrophobicContact CE-CG1 4.28Å; Y101-V132 PolarHBondContact N-O 2.99Å; V132-F161 CarbonylContact C-O 3.59Å; V132-F161 VanDerWaalsContact CA-O 3.3Å; V132-F161 WeakPolarHBondContact CA-O 3.28Å; V132-A163 HydrophobicContact CG1-CB 3.87Å; V132-T174 HydrophobicContact CG2-CG2 3.63Å
133	G	98.8	Very high	94.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	101.1	164.5	0	0	0	0	0	109.7	Y101 F161 E162 A163	Y101-G133 VanDerWaalsContact CZ-CA 3.47Å; G133-F161 PolarHBondContact N-O 2.72Å; G133-E162 CarbonylContact O-C 3.48Å; G133-E162 VanDerWaalsContact O-CA 3.25Å; G133-E162 WeakPolarHBondContact O-CA 3.25Å; G133-A163 PolarHBondContact O-N 3.44Å
134	N	98.7	Very high	95.2	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	166.1	-177.6	-169.4	34.4	0	0	0	111.8	V32 M100 Y101 I103 A163 A165	V32-N134 PolarHBondContact O-ND2 3.09Å; M100-N134 HydrophobicContact CE-CB 4.45Å; M100-N134 HydrophobicContact CG-CB 3.8Å; M100-N134 HydrophobicContact SD-CB 3.75Å; Y101-N134 PolarHBondContact O-N 3.36Å; I103-N134 PolarHBondContact N-O 3.27Å; I103-N134 VanDerWaalsContact N-O 3.1Å; N134-A163 CarbonylContact C-O 3.6Å; N134-A163 VanDerWaalsContact CA-O 3.27Å; N134-A163 WeakPolarHBondContact CA-O 3.2Å; N134-A163 PolarHBondContact OD1-O 3.19Å; N134-A165 PolarHBondContact OD1-N 2.93Å
135	K	98.3	Very high	96	Very high	48 Å²	48	51.4 Å²	51.4	21%	0.209	27%	0.267	C	S	.	.			trans	68.4	34.6	-178	-45.8	-168.5	-165.1	166.2	0	114	S31 D102 I103 D137 M138 A163	S31-K135 WeakPolarHBondContact O-CE 3.32Å; S31-K135 PolarHBondContact O-NZ 3.05Å; D102-K135 WeakPolarHBondContact OD1-CD 3.47Å; D102-K135 WeakPolarHBondContact OD2-CD 3.38Å; D102-K135 WeakPolarHBondContact OD2-CE 3.43Å; D102-K135 IonicContact OD2-NZ 2.69Å; D102-K135 PolarHBondContact OD2-NZ 3.37Å; I103-K135 WeakPolarHBondContact CD1-O 3.41Å; I103-K135 WeakPolarHBondContact CG1-O 3.19Å; K135-D137 WeakPolarHBondContact CA-OD1 3.42Å; K135-D137 PolarHBondContact O-N 3.34Å; K135-M138 HydrophobicContact CB-CG 4.29Å; K135-M138 HydrophobicContact CB-SD 4.07Å; K135-M138 HydrophobicContact CD-SD 3.84Å; K135-M138 WeakPolarHBondContact O-CB 3.31Å; K135-M138 PolarHBondContact O-N 3.03Å; K135-A163 PolarHBondContact N-O 2.97Å
136	C	98.4	Very high	97	Very high	22 Å²	22	45 Å²	45	15%	0.149	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-8.2	176	70.3	0	0	0	0	114.7	I103 E162 A163	I103-C136 HydrophobicContact CD1-CB 4.48Å; C136-E162 HydrophobicContact CB-CB 4.09Å; C136-A163 PolarHBondContact N-O 3.27Å; C136-A163 VanDerWaalsContact N-O 3.07Å; C136-A163 PolarHBondContact SG-O 3.33Å; C136-A163 VanDerWaalsContact SG-O 3.34Å
137	D	98.3	Very high	97.8	Very high	38 Å²	38	45.7 Å²	45.7	20%	0.203	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-17	168	60.5	-78.8	0	0	0	113.7	K135 E139 S164 K166 D167	K135-D137 WeakPolarHBondContact CA-OD1 3.42Å; K135-D137 PolarHBondContact O-N 3.34Å; D137-E139 PolarHBondContact O-N 3.23Å; D137-S164 VanDerWaalsContact CG-OG 3.31Å; D137-S164 VanDerWaalsContact OD1-CB 3.3Å; D137-S164 WeakPolarHBondContact OD1-CB 3.45Å; D137-S164 PolarHBondContact OD1-OG 3.09Å; D137-K166 WeakPolarHBondContact OD2-CD 3.46Å; D137-K166 IonicContact OD2-NZ 3.65Å; D137-K166 PolarHBondContact OD2-NZ 3.4Å; D137-D167 HydrophobicContact CB-CB 4.43Å; D137-D167 VanDerWaalsContact CB-OD2 3.26Å; D137-D167 WeakPolarHBondContact CB-OD2 3.44Å
138	M	97.4	Very high	98	Very high	48 Å²	48	49 Å²	49	24%	0.236	25%	0.247	C	C	.	.			trans	-95.9	50.7	-177.6	-59.4	-176.9	66.3	0	0	112.1	T104 K135 D140 E141 R142	T104-M138 HydrophobicContact CG2-CB 3.64Å; T104-M138 HydrophobicContact CG2-CE 4.24Å; T104-M138 HydrophobicContact CG2-SD 4.24Å; K135-M138 HydrophobicContact CB-CG 4.29Å; K135-M138 HydrophobicContact CB-SD 4.07Å; K135-M138 HydrophobicContact CD-SD 3.84Å; K135-M138 WeakPolarHBondContact O-CB 3.31Å; K135-M138 PolarHBondContact O-N 3.03Å; M138-D140 VanDerWaalsContact C-N 3.29Å; M138-D140 PolarHBondContact O-N 2.89Å; M138-E141 HydrophobicContact CB-CB 4.48Å; M138-E141 HydrophobicContact CE-CB 4.38Å; M138-E141 HydrophobicContact CE-CG 4.36Å; M138-E141 WeakPolarHBondContact CE-OE1 2.86Å; M138-E141 WeakPolarHBondContact CE-OE2 3.38Å; M138-E141 PolarHBondContact O-N 3.07Å; M138-E141 VanDerWaalsContact O-N 3.09Å; M138-R142 PolarHBondContact O-N 2.92Å
139	E	97.1	Very high	98.1	Very high	108 Å²	108	47.1 Å²	47.1	51%	0.505	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-60.5	-36.3	-174.1	-167.5	61.4	-150.4	0	0	113	D137 E141 R142	D137-E139 PolarHBondContact O-N 3.23Å; E139-E141 PolarHBondContact O-N 3.26Å; E139-R142 VanDerWaalsContact O-CB 3.23Å; E139-R142 WeakPolarHBondContact O-CB 3.43Å; E139-R142 PolarHBondContact O-N 2.89Å; E139-R142 WeakPolarHBondContact OE1-CD 3.42Å; E139-R142 IonicContact OE1-CZ 2.81Å; E139-R142 IonicContact OE1-NE 2.79Å; E139-R142 PolarHBondContact OE1-NE 2.87Å; E139-R142 IonicContact OE1-NH2 2.84Å; E139-R142 IonicContact OE2-CZ 2.64Å; E139-R142 VanDerWaalsContact OE2-CZ 3.24Å; E139-R142 IonicContact OE2-NE 2.67Å; E139-R142 PolarHBondContact OE2-NE 2.86Å; E139-R142 IonicContact OE2-NH2 3.02Å; E139-R142 PolarHBondContact OE2-NH2 2.85Å
140	D	97.9	Very high	98.2	Very high	171 Å²	171	51.8 Å²	51.8	91%	0.914	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-66.5	-22.1	178.6	-65.4	-35.2	0	0	0	113.3	M138	M138-D140 VanDerWaalsContact C-N 3.29Å; M138-D140 PolarHBondContact O-N 2.89Å
141	E	98.1	Very high	98.2	Very high	118 Å²	118	56.7 Å²	56.7	55%	0.551	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-104.7	6.4	179.3	-65.1	179.3	-127.7	0	0	112.1	T104 M138 E139 V143	T104-E141 WeakPolarHBondContact CB-O 3.27Å; T104-E141 HydrophobicContact CG2-CB 3.78Å; M138-E141 HydrophobicContact CB-CB 4.48Å; M138-E141 HydrophobicContact CE-CB 4.38Å; M138-E141 HydrophobicContact CE-CG 4.36Å; M138-E141 WeakPolarHBondContact CE-OE1 2.86Å; M138-E141 WeakPolarHBondContact CE-OE2 3.38Å; M138-E141 PolarHBondContact O-N 3.07Å; M138-E141 VanDerWaalsContact O-N 3.09Å; E139-E141 PolarHBondContact O-N 3.26Å; E141-V143 PolarHBondContact O-N 3.01Å
142	R	98.6	Very high	98.1	Very high	41 Å²	41	57.5 Å²	57.5	16%	0.155	28%	0.281	C	S	.	.			trans	-61.9	128.2	-177.3	179.5	-177.5	-71.4	-86.6	8.5	111	I103 M138 E139 V144 E162	I103-R142 HydrophobicContact CD1-CB 4.24Å; I103-R142 HydrophobicContact CD1-CG 4.21Å; M138-R142 PolarHBondContact O-N 2.92Å; E139-R142 VanDerWaalsContact O-CB 3.23Å; E139-R142 WeakPolarHBondContact O-CB 3.43Å; E139-R142 PolarHBondContact O-N 2.89Å; E139-R142 WeakPolarHBondContact OE1-CD 3.42Å; E139-R142 IonicContact OE1-CZ 2.81Å; E139-R142 IonicContact OE1-NE 2.79Å; E139-R142 PolarHBondContact OE1-NE 2.87Å; E139-R142 IonicContact OE1-NH2 2.84Å; E139-R142 IonicContact OE2-CZ 2.64Å; E139-R142 VanDerWaalsContact OE2-CZ 3.24Å; E139-R142 IonicContact OE2-NE 2.67Å; E139-R142 PolarHBondContact OE2-NE 2.86Å; E139-R142 IonicContact OE2-NH2 3.02Å; E139-R142 PolarHBondContact OE2-NH2 2.85Å; R142-V144 VanDerWaalsContact CG-O 3.3Å; R142-V144 WeakPolarHBondContact CG-O 3.48Å; R142-V144 PolarHBondContact NH1-O 2.83Å; R142-E162 IonicContact CZ-OE1 3.81Å; R142-E162 IonicContact CZ-OE2 3.93Å; R142-E162 IonicContact NH1-OE1 3.83Å; R142-E162 PolarHBondContact NH1-OE1 2.94Å; R142-E162 IonicContact NH1-OE2 3.3Å; R142-E162 PolarHBondContact NH1-OE2 2.82Å; R142-E162 IonicContact NH2-OE1 3.15Å; R142-E162 IonicContact NH2-OE2 3.77Å; R142-E162 PolarHBondContact NH2-OE2 2.92Å
143	V	98.5	Very high	98.1	Very high	71 Å²	71	57.7 Å²	57.7	43%	0.43	28%	0.282	S	S	.	.			trans	-117.7	-20.1	170.6	-54.6	0	0	0	0	112.3	I103 T104 E106 E141	I103-V143 PolarHBondContact O-N 3.2Å; T104-V143 VanDerWaalsContact C-CG2 3.44Å; T104-V143 WeakPolarHBondContact O-CG2 3.33Å; E106-V143 HydrophobicContact CB-CG2 4.11Å; E141-V143 PolarHBondContact O-N 3.01Å
144	V	98.4	Very high	98	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.312	C	S	.	.	S	Bend	trans	-108.3	111.8	174.3	-174.9	0	0	0	0	109.7	Y101 I103 F109 R142 R148	Y101-V144 HydrophobicContact CE2-CB 4.08Å; Y101-V144 HydrophobicContact CE2-CG1 3.71Å; Y101-V144 HydrophobicContact CE2-CG2 4.45Å; I103-V144 PolarHBondContact O-N 2.91Å; F109-V144 HydrophobicContact CB-CG1 4.42Å; F109-V144 HydrophobicContact CB-CG2 3.77Å; F109-V144 HydrophobicContact CD1-CG1 4.32Å; F109-V144 HydrophobicContact CD2-CG1 3.74Å; F109-V144 HydrophobicContact CE2-CG1 4.01Å; F109-V144 HydrophobicContact CG-CG1 3.9Å; F109-V144 HydrophobicContact CG-CG2 4.06Å; F109-V144 HydrophobicContact CZ-CG1 4.41Å; R142-V144 VanDerWaalsContact CG-O 3.3Å; R142-V144 WeakPolarHBondContact CG-O 3.48Å; R142-V144 PolarHBondContact NH1-O 2.83Å; V144-R148 HydrophobicContact CG1-CB 4.27Å
145	N	97.4	Very high	98	Very high	99 Å²	99	71.1 Å²	71.1	53%	0.529	34%	0.344	S	S	.	.			trans	-69.9	143.7	174.4	-68	-23.1	0	0	0	111.3	E147 R148 G149	N145-E147 PolarHBondContact O-N 2.86Å; N145-E147 VanDerWaalsContact O-N 3.08Å; N145-R148 WeakPolarHBondContact O-CB 3.21Å; N145-R148 PolarHBondContact O-N 2.81Å; N145-G149 PolarHBondContact O-N 3.21Å
146	A	97.3	Very high	97.9	Very high	31 Å²	31	70 Å²	70	26%	0.256	34%	0.341	S	S	.	.	H	α-helix	trans	-52.4	-34.8	178.7	0	0	0	0	0	113.4	R148 G149 R150 F160 E162	A146-R148 VanDerWaalsContact C-N 3.33Å; A146-R148 PolarHBondContact O-N 2.84Å; A146-G149 PolarHBondContact O-N 2.87Å; A146-R150 PolarHBondContact O-N 3.38Å; A146-F160 WeakPolarHBondContact O-CE1 3.33Å; A146-E162 VanDerWaalsContact CA-OE1 3.22Å; A146-E162 WeakPolarHBondContact CA-OE1 3.32Å; A146-E162 HydrophobicContact CB-CG 4.38Å; A146-E162 VanDerWaalsContact CB-OE1 3.3Å; A146-E162 WeakPolarHBondContact CB-OE1 3.49Å
147	E	98.1	Very high	97.7	Very high	88 Å²	88	72.1 Å²	72.1	41%	0.411	37%	0.366	S	S	.	.	H	α-helix	trans	-64.1	-35	177.5	-176.2	55.8	-157.4	0	0	112.8	N145 G149 R150 Q151	N145-E147 PolarHBondContact O-N 2.86Å; N145-E147 VanDerWaalsContact O-N 3.08Å; E147-G149 VanDerWaalsContact C-N 3.34Å; E147-R150 PolarHBondContact O-N 2.81Å; E147-R150 IonicContact OE2-CZ 3.23Å; E147-R150 IonicContact OE2-NH1 3.24Å; E147-R150 PolarHBondContact OE2-NH1 3.14Å; E147-Q151 WeakPolarHBondContact O-CB 3.4Å; E147-Q151 VanDerWaalsContact O-CG 3.25Å; E147-Q151 WeakPolarHBondContact O-CG 3.39Å; E147-Q151 PolarHBondContact O-N 2.83Å; E147-Q151 PolarHBondContact OE1-NE2 3.07Å
148	R	98	Very high	97.7	Very high	86 Å²	86	71.6 Å²	71.6	33%	0.325	36%	0.363	S	S	.	.	H	α-helix	trans	-66.7	-39.3	174.2	-66	-180	66.5	-160.1	-1.8	111.1	E106 F109 V144 N145 A146 L152	E106-R148 IonicContact OE1-CZ 3.63Å; E106-R148 VanDerWaalsContact OE1-CZ 3.25Å; E106-R148 IonicContact OE1-NH1 2.78Å; E106-R148 PolarHBondContact OE1-NH1 2.94Å; E106-R148 IonicContact OE1-NH2 3.67Å; E106-R148 PolarHBondContact OE1-NH2 3.13Å; E106-R148 IonicContact OE2-CZ 3.86Å; E106-R148 IonicContact OE2-NH1 3.54Å; E106-R148 PolarHBondContact OE2-NH1 3.46Å; E106-R148 IonicContact OE2-NH2 3.99Å; F109-R148 HydrophobicContact CE1-CB 4.38Å; F109-R148 HydrophobicContact CZ-CB 3.95Å; V144-R148 HydrophobicContact CG1-CB 4.27Å; N145-R148 WeakPolarHBondContact O-CB 3.21Å; N145-R148 PolarHBondContact O-N 2.81Å; A146-R148 VanDerWaalsContact C-N 3.33Å; A146-R148 PolarHBondContact O-N 2.84Å; R148-L152 WeakPolarHBondContact O-CB 3.49Å; R148-L152 PolarHBondContact O-N 3.16Å
149	G	98	Very high	97.7	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-58.6	-48.6	173	0	0	0	0	0	112.2	N145 A146 E147 L152 S153	N145-G149 PolarHBondContact O-N 3.21Å; A146-G149 PolarHBondContact O-N 2.87Å; E147-G149 VanDerWaalsContact C-N 3.34Å; G149-L152 PolarHBondContact O-N 3.26Å; G149-S153 PolarHBondContact O-N 3.07Å
150	R	98.3	Very high	97.7	Very high	114 Å²	114	69.4 Å²	69.4	43%	0.43	35%	0.351	S	S	.	.	H	α-helix	trans	-62.1	-47.6	177	-173.8	-178.7	-65.8	121.1	0.9	112.7	A146 E147 L152 S153 E154 F160	A146-R150 PolarHBondContact O-N 3.38Å; E147-R150 PolarHBondContact O-N 2.81Å; E147-R150 IonicContact OE2-CZ 3.23Å; E147-R150 IonicContact OE2-NH1 3.24Å; E147-R150 PolarHBondContact OE2-NH1 3.14Å; R150-L152 VanDerWaalsContact C-N 3.32Å; R150-L152 PolarHBondContact O-N 3.39Å; R150-S153 PolarHBondContact O-N 3.12Å; R150-S153 PolarHBondContact O-OG 3.3Å; R150-E154 WeakPolarHBondContact O-CG 3.22Å; R150-E154 PolarHBondContact O-N 2.78Å; R150-F160 HydrophobicContact CB-CD1 4.13Å; R150-F160 HydrophobicContact CB-CE1 4.49Å
151	Q	98.5	Very high	97.8	Very high	104 Å²	104	63.4 Å²	63.4	49%	0.486	32%	0.317	S	S	.	.	H	α-helix	trans	-61.7	-41.2	178.1	-73.1	172	3.9	0	0	111.9	E147 H155	E147-Q151 WeakPolarHBondContact O-CB 3.4Å; E147-Q151 VanDerWaalsContact O-CG 3.25Å; E147-Q151 WeakPolarHBondContact O-CG 3.39Å; E147-Q151 PolarHBondContact O-N 2.83Å; E147-Q151 PolarHBondContact OE1-NE2 3.07Å; Q151-H155 WeakPolarHBondContact O-CB 3.3Å; Q151-H155 PolarHBondContact O-N 3.04Å
152	L	98.2	Very high	97.8	Very high	16 Å²	16	59.4 Å²	59.4	8%	0.084	30%	0.298	C	S	.	.	H	α-helix	trans	-66.5	-41.7	176.8	-178.7	60.6	0	0	0	111.5	F109 V112 Q113 R148 G149 R150 H155 L156	F109-L152 HydrophobicContact CD2-CD2 4.18Å; F109-L152 HydrophobicContact CE1-CD2 4.3Å; F109-L152 HydrophobicContact CE2-CB 4.18Å; F109-L152 HydrophobicContact CE2-CD2 3.5Å; F109-L152 VanDerWaalsContact CE2-CD2 3.5Å; F109-L152 HydrophobicContact CE2-CG 4.49Å; F109-L152 HydrophobicContact CZ-CB 3.94Å; F109-L152 HydrophobicContact CZ-CD2 3.57Å; F109-L152 HydrophobicContact CZ-CG 4.38Å; V112-L152 HydrophobicContact CB-CD2 3.9Å; V112-L152 HydrophobicContact CG1-CD2 3.67Å; V112-L152 HydrophobicContact CG1-CG 4.42Å; Q113-L152 HydrophobicContact CG-CD1 4.07Å; R148-L152 WeakPolarHBondContact O-CB 3.49Å; R148-L152 PolarHBondContact O-N 3.16Å; G149-L152 PolarHBondContact O-N 3.26Å; R150-L152 VanDerWaalsContact C-N 3.32Å; R150-L152 PolarHBondContact O-N 3.39Å; L152-H155 PolarHBondContact O-N 2.72Å; L152-L156 HydrophobicContact CD1-CD1 3.92Å; L152-L156 HydrophobicContact CD1-CG 4.11Å; L152-L156 HydrophobicContact CG-CD1 3.94Å; L152-L156 HydrophobicContact CG-CG 4.45Å; L152-L156 WeakPolarHBondContact O-CB 3.44Å; L152-L156 VanDerWaalsContact O-CG 3.28Å; L152-L156 WeakPolarHBondContact O-CG 3.35Å; L152-L156 PolarHBondContact O-N 2.96Å
153	S	97.8	Very high	97.8	Very high	5 Å²	5	57.4 Å²	57.4	4%	0.035	29%	0.291	C	S	.	.	H	α-helix	trans	-64.7	-43	178.5	74.2	0	0	0	0	111.7	G149 R150 H155 L156 G157 F158 F160	G149-S153 PolarHBondContact O-N 3.07Å; R150-S153 PolarHBondContact O-N 3.12Å; R150-S153 PolarHBondContact O-OG 3.3Å; S153-H155 VanDerWaalsContact C-N 3.35Å; S153-H155 PolarHBondContact O-N 3.22Å; S153-L156 CarbonylContact O-C 3.42Å; S153-L156 PolarHBondContact O-N 3.26Å; S153-G157 PolarHBondContact O-N 3.45Å; S153-F158 CarbonylContact C-O 3.56Å; S153-F158 VanDerWaalsContact CB-O 3.25Å; S153-F158 WeakPolarHBondContact CB-O 3.2Å; S153-F158 PolarHBondContact O-N 3.05Å; S153-F158 PolarHBondContact OG-O 3.41Å; S153-F160 VanDerWaalsContact OG-CB 3.28Å; S153-F160 WeakPolarHBondContact OG-CB 3.43Å
154	E	97.8	Very high	97.8	Very high	132 Å²	132	54 Å²	54	62%	0.617	27%	0.27	S	S	*	.	H	α-helix	trans	-58.8	-45.6	174.6	-74	173.1	-172.1	0	0	111.5	R150 L156 G157	R150-E154 WeakPolarHBondContact O-CG 3.22Å; R150-E154 PolarHBondContact O-N 2.78Å; E154-L156 VanDerWaalsContact C-N 3.29Å; E154-L156 PolarHBondContact O-N 2.82Å; E154-G157 PolarHBondContact O-N 2.89Å
155	H	97.4	Very high	97.8	Very high	153 Å²	153	54.2 Å²	54.2	71%	0.708	27%	0.272	S	S	*	.	H	α-helix	trans	-62	-36.5	176.8	-177.3	67.5	0	0	0	112.8	Q151 L152 S153	Q151-H155 WeakPolarHBondContact O-CB 3.3Å; Q151-H155 PolarHBondContact O-N 3.04Å; L152-H155 PolarHBondContact O-N 2.72Å; S153-H155 VanDerWaalsContact C-N 3.35Å; S153-H155 PolarHBondContact O-N 3.22Å
156	L	95.9	Very high	97.8	Very high	24 Å²	24	54.4 Å²	54.4	13%	0.126	27%	0.268	C	S	.	.	H	α-helix	trans	-83.7	-13.6	179.4	-66.6	177.5	0	0	0	113.6	V112 L152 S153 E154 F158	V112-L156 HydrophobicContact CG1-CD1 3.96Å; L152-L156 HydrophobicContact CD1-CD1 3.92Å; L152-L156 HydrophobicContact CD1-CG 4.11Å; L152-L156 HydrophobicContact CG-CD1 3.94Å; L152-L156 HydrophobicContact CG-CG 4.45Å; L152-L156 WeakPolarHBondContact O-CB 3.44Å; L152-L156 VanDerWaalsContact O-CG 3.28Å; L152-L156 WeakPolarHBondContact O-CG 3.35Å; L152-L156 PolarHBondContact O-N 2.96Å; S153-L156 CarbonylContact O-C 3.42Å; S153-L156 PolarHBondContact O-N 3.26Å; E154-L156 VanDerWaalsContact C-N 3.29Å; E154-L156 PolarHBondContact O-N 2.82Å; L156-F158 HydrophobicContact CB-CD1 4.4Å; L156-F158 HydrophobicContact CB-CD2 3.67Å; L156-F158 HydrophobicContact CB-CE1 4.41Å; L156-F158 HydrophobicContact CB-CE2 3.7Å; L156-F158 HydrophobicContact CB-CG 4.04Å; L156-F158 HydrophobicContact CB-CZ 4.09Å; L156-F158 HydrophobicContact CD1-CD2 4.01Å; L156-F158 HydrophobicContact CD1-CE2 3.8Å; L156-F158 HydrophobicContact CG-CE2 4.33Å; L156-F158 WeakPolarHBondContact O-CE1 3.47Å
157	G	95.9	Very high	97.8	Very high	67 Å²	67	57.2 Å²	57.2	69%	0.691	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	29.9	-174.5	0	0	0	0	0	113.7	S153 E154	S153-G157 PolarHBondContact O-N 3.45Å; E154-G157 PolarHBondContact O-N 2.89Å
158	F	96.7	Very high	97.8	Very high	28 Å²	28	56.5 Å²	56.5	12%	0.123	28%	0.277	C	S	.	.			trans	-109.6	150.5	-179.4	-54.5	-22.8	0	0	0	111	L99 S116 V129 L131 S153 L156	L99-F158 HydrophobicContact CD2-CE2 4.27Å; S116-F158 WeakPolarHBondContact OG-CE2 3.36Å; S116-F158 VanDerWaalsContact OG-CZ 3.3Å; S116-F158 WeakPolarHBondContact OG-CZ 3.39Å; V129-F158 HydrophobicContact CB-CD1 3.73Å; V129-F158 HydrophobicContact CB-CD2 4.29Å; V129-F158 HydrophobicContact CB-CE1 3.71Å; V129-F158 HydrophobicContact CB-CE2 4.24Å; V129-F158 HydrophobicContact CB-CG 4.06Å; V129-F158 HydrophobicContact CB-CZ 3.96Å; V129-F158 HydrophobicContact CG1-CD1 4.2Å; V129-F158 HydrophobicContact CG1-CD2 3.82Å; V129-F158 HydrophobicContact CG1-CE1 4.13Å; V129-F158 HydrophobicContact CG1-CE2 3.73Å; V129-F158 HydrophobicContact CG1-CG 4.07Å; V129-F158 HydrophobicContact CG1-CZ 3.89Å; V129-F158 HydrophobicContact CG2-CD1 4.44Å; V129-F158 HydrophobicContact CG2-CE1 3.95Å; V129-F158 HydrophobicContact CG2-CZ 4.12Å; L131-F158 HydrophobicContact CB-CB 4.48Å; S153-F158 CarbonylContact C-O 3.56Å; S153-F158 VanDerWaalsContact CB-O 3.25Å; S153-F158 WeakPolarHBondContact CB-O 3.2Å; S153-F158 PolarHBondContact O-N 3.05Å; S153-F158 PolarHBondContact OG-O 3.41Å; L156-F158 HydrophobicContact CB-CD1 4.4Å; L156-F158 HydrophobicContact CB-CD2 3.67Å; L156-F158 HydrophobicContact CB-CE1 4.41Å; L156-F158 HydrophobicContact CB-CE2 3.7Å; L156-F158 HydrophobicContact CB-CG 4.04Å; L156-F158 HydrophobicContact CB-CZ 4.09Å; L156-F158 HydrophobicContact CD1-CD2 4.01Å; L156-F158 HydrophobicContact CD1-CE2 3.8Å; L156-F158 HydrophobicContact CG-CE2 4.33Å; L156-F158 WeakPolarHBondContact O-CE1 3.47Å
159	E	97.3	Very high	97.8	Very high	73 Å²	73	55.6 Å²	55.6	34%	0.341	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	153	163.8	-83.9	-178.1	-134.2	0	0	110.7	L130 L131 R177	L130-E159 HydrophobicContact CD2-CB 3.31Å; L130-E159 HydrophobicContact CD2-CG 4.48Å; L131-E159 PolarHBondContact N-O 2.86Å; E159-R177 IonicContact OE1-CZ 3.74Å; E159-R177 VanDerWaalsContact OE1-CZ 3.3Å; E159-R177 IonicContact OE1-NE 2.68Å; E159-R177 PolarHBondContact OE1-NE 3.02Å; E159-R177 VanDerWaalsContact OE1-NE 3.15Å; E159-R177 IonicContact OE1-NH2 3.76Å; E159-R177 PolarHBondContact OE1-NH2 3.37Å; E159-R177 WeakPolarHBondContact OE2-CG 3.39Å; E159-R177 IonicContact OE2-CZ 2.9Å; E159-R177 IonicContact OE2-NE 3.57Å; E159-R177 PolarHBondContact OE2-NE 3.48Å; E159-R177 IonicContact OE2-NH2 3.95Å
160	F	98.4	Very high	97.8	Very high	36 Å²	36	58.1 Å²	58.1	16%	0.158	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	136.9	-171.5	173.7	-114.6	0	0	0	113.4	Y101 L131 A146 R150 S153 E162	Y101-F160 AromaticContact CE1-CE2 3.94Å; Y101-F160 HydrophobicContact CE1-CE2 3.94Å; Y101-F160 WeakPolarHBondContact OH-CE2 3.34Å; Y101-F160 WeakPolarHBondContact OH-CZ 3.37Å; L131-F160 HydrophobicContact CB-CD2 4.12Å; L131-F160 HydrophobicContact CD2-CD2 3.96Å; L131-F160 HydrophobicContact CD2-CE2 4.45Å; L131-F160 HydrophobicContact CG-CD2 3.89Å; L131-F160 HydrophobicContact CG-CE2 4.41Å; L131-F160 WeakPolarHBondContact O-CA 3.45Å; L131-F160 WeakPolarHBondContact O-CD2 3.35Å; A146-F160 WeakPolarHBondContact O-CE1 3.33Å; R150-F160 HydrophobicContact CB-CD1 4.13Å; R150-F160 HydrophobicContact CB-CE1 4.49Å; S153-F160 VanDerWaalsContact OG-CB 3.28Å; S153-F160 WeakPolarHBondContact OG-CB 3.43Å; F160-E162 HydrophobicContact CE1-CG 4Å; F160-E162 HydrophobicContact CE2-CG 4.45Å; F160-E162 HydrophobicContact CZ-CG 3.55Å
161	F	98.4	Very high	97.9	Very high	46 Å²	46	52.7 Å²	52.7	20%	0.202	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144.3	168.9	-71.6	-91.4	0	0	0	110.7	L130 L131 V132 G133 N170 Q173 R177	L130-F161 HydrophobicContact CD1-CD2 4.44Å; L130-F161 HydrophobicContact CD1-CE2 4.29Å; L130-F161 HydrophobicContact CD2-CE2 4.47Å; L131-F161 PolarHBondContact O-N 2.91Å; V132-F161 CarbonylContact C-O 3.59Å; V132-F161 VanDerWaalsContact CA-O 3.3Å; V132-F161 WeakPolarHBondContact CA-O 3.28Å; G133-F161 PolarHBondContact N-O 2.72Å; F161-N170 HydrophobicContact CD1-CB 4.32Å; F161-Q173 HydrophobicContact CE1-CB 4.47Å; F161-R177 HydrophobicContact CE2-CB 4.16Å; F161-R177 HydrophobicContact CE2-CG 4.09Å; F161-R177 HydrophobicContact CZ-CB 4.15Å; F161-R177 HydrophobicContact CZ-CG 4.22Å
162	E	98.6	Very high	97.8	Very high	33 Å²	33	53.1 Å²	53.1	15%	0.154	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	141.1	151.9	-69.7	-158.9	158.3	0	0	109.6	G133 C136 R142 A146 F160 N170	G133-E162 CarbonylContact O-C 3.48Å; G133-E162 VanDerWaalsContact O-CA 3.25Å; G133-E162 WeakPolarHBondContact O-CA 3.25Å; C136-E162 HydrophobicContact CB-CB 4.09Å; R142-E162 IonicContact CZ-OE1 3.81Å; R142-E162 IonicContact CZ-OE2 3.93Å; R142-E162 IonicContact NH1-OE1 3.83Å; R142-E162 PolarHBondContact NH1-OE1 2.94Å; R142-E162 IonicContact NH1-OE2 3.3Å; R142-E162 PolarHBondContact NH1-OE2 2.82Å; R142-E162 IonicContact NH2-OE1 3.15Å; R142-E162 IonicContact NH2-OE2 3.77Å; R142-E162 PolarHBondContact NH2-OE2 2.92Å; A146-E162 VanDerWaalsContact CA-OE1 3.22Å; A146-E162 WeakPolarHBondContact CA-OE1 3.32Å; A146-E162 HydrophobicContact CB-CG 4.38Å; A146-E162 VanDerWaalsContact CB-OE1 3.3Å; A146-E162 WeakPolarHBondContact CB-OE1 3.49Å; F160-E162 HydrophobicContact CE1-CG 4Å; F160-E162 HydrophobicContact CE2-CG 4.45Å; F160-E162 HydrophobicContact CZ-CG 3.55Å; E162-N170 WeakPolarHBondContact O-CB 3.34Å; E162-N170 PolarHBondContact O-ND2 3.32Å
163	A	98.8	Very high	97.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	161.3	-174.4	0	0	0	0	0	112.2	F37 V132 G133 N134 K135 C136 I169 N170	F37-A163 HydrophobicContact CE2-CB 3.62Å; F37-A163 HydrophobicContact CZ-CB 4.14Å; V132-A163 HydrophobicContact CG1-CB 3.87Å; G133-A163 PolarHBondContact O-N 3.44Å; N134-A163 CarbonylContact C-O 3.6Å; N134-A163 VanDerWaalsContact CA-O 3.27Å; N134-A163 WeakPolarHBondContact CA-O 3.2Å; N134-A163 PolarHBondContact OD1-O 3.19Å; K135-A163 PolarHBondContact N-O 2.97Å; C136-A163 PolarHBondContact N-O 3.27Å; C136-A163 VanDerWaalsContact N-O 3.07Å; C136-A163 PolarHBondContact SG-O 3.33Å; C136-A163 VanDerWaalsContact SG-O 3.34Å; A163-I169 CarbonylContact C-O 3.52Å; A163-I169 VanDerWaalsContact CA-O 3.27Å; A163-I169 WeakPolarHBondContact CA-O 3.3Å; A163-I169 VanDerWaalsContact CB-O 3.29Å; A163-I169 WeakPolarHBondContact CB-O 3.48Å; A163-N170 HydrophobicContact CB-CB 4.04Å
164	S	98.6	Very high	97.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-133.9	115.1	171.8	175	0	0	0	0	109.8	D137 K166 D167 N168 I169 V171	D137-S164 VanDerWaalsContact CG-OG 3.31Å; D137-S164 VanDerWaalsContact OD1-CB 3.3Å; D137-S164 WeakPolarHBondContact OD1-CB 3.45Å; D137-S164 PolarHBondContact OD1-OG 3.09Å; S164-K166 PolarHBondContact O-N 3.4Å; S164-K166 PolarHBondContact OG-N 2.93Å; S164-D167 PolarHBondContact OG-N 2.94Å; S164-N168 CarbonylContact O-C 3.55Å; S164-N168 VanDerWaalsContact O-CA 3.22Å; S164-N168 WeakPolarHBondContact O-CA 3.24Å; S164-N168 PolarHBondContact O-N 3.46Å; S164-I169 PolarHBondContact N-O 2.86Å; S164-I169 PolarHBondContact O-N 2.84Å; S164-V171 WeakPolarHBondContact O-CG2 3.48Å
165	A	97.9	Very high	97.9	Very high	4 Å²	4	50 Å²	50	3%	0.033	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-32	169	0	0	0	0	0	112.3	F37 R40 F46 N134	F37-A165 HydrophobicContact CB-CB 4.36Å; F37-A165 HydrophobicContact CD2-CB 4.16Å; R40-A165 WeakPolarHBondContact CG-O 3.3Å; R40-A165 PolarHBondContact NE-O 3.01Å; F46-A165 HydrophobicContact CD2-CB 4.3Å; F46-A165 HydrophobicContact CE2-CB 4.4Å; N134-A165 PolarHBondContact OD1-N 2.93Å
166	K	97.4	Very high	97.8	Very high	102 Å²	102	44.6 Å²	44.6	44%	0.443	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-55.4	-178.2	-178.3	-163	-179.9	-172	0	110.6	R40 F46 D137 S164 N168	R40-K166 PolarHBondContact NH2-O 2.78Å; F46-K166 HydrophobicContact CD1-CB 4.44Å; F46-K166 HydrophobicContact CD1-CG 4.21Å; F46-K166 HydrophobicContact CD2-CB 4.29Å; F46-K166 HydrophobicContact CE1-CB 4.03Å; F46-K166 HydrophobicContact CE1-CG 3.75Å; F46-K166 HydrophobicContact CE2-CB 3.86Å; F46-K166 HydrophobicContact CE2-CG 4.49Å; F46-K166 HydrophobicContact CZ-CB 3.72Å; F46-K166 HydrophobicContact CZ-CG 3.91Å; D137-K166 WeakPolarHBondContact OD2-CD 3.46Å; D137-K166 IonicContact OD2-NZ 3.65Å; D137-K166 PolarHBondContact OD2-NZ 3.4Å; S164-K166 PolarHBondContact O-N 3.4Å; S164-K166 PolarHBondContact OG-N 2.93Å; K166-N168 VanDerWaalsContact C-N 3.31Å; K166-N168 PolarHBondContact O-N 3.18Å
167	D	98.1	Very high	97.9	Very high	91 Å²	91	46.5 Å²	46.5	49%	0.487	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	3.7	-174.9	-67.9	0.7	0	0	0	112.8	D137 S164 I169	D137-D167 HydrophobicContact CB-CB 4.43Å; D137-D167 VanDerWaalsContact CB-OD2 3.26Å; D137-D167 WeakPolarHBondContact CB-OD2 3.44Å; S164-D167 PolarHBondContact OG-N 2.94Å; D167-I169 VanDerWaalsContact C-N 3.28Å; D167-I169 HydrophobicContact CB-CD1 3.92Å; D167-I169 HydrophobicContact CB-CG1 3.98Å; D167-I169 PolarHBondContact O-N 2.87Å
168	N	97.8	Very high	98	Very high	72 Å²	72	43.3 Å²	43.3	39%	0.385	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	37.4	-179	-163.2	22.4	0	0	0	113.6	R40 S164 K166	R40-N168 HydrophobicContact CG-CB 4.34Å; R40-N168 WeakPolarHBondContact CG-OD1 3.32Å; S164-N168 CarbonylContact O-C 3.55Å; S164-N168 VanDerWaalsContact O-CA 3.22Å; S164-N168 WeakPolarHBondContact O-CA 3.24Å; S164-N168 PolarHBondContact O-N 3.46Å; K166-N168 VanDerWaalsContact C-N 3.31Å; K166-N168 PolarHBondContact O-N 3.18Å
169	I	98.6	Very high	98	Very high	68 Å²	68	42 Å²	42	35%	0.349	20%	0.198	S	C	.	.	B	Isolated β-bridge	trans	-87.4	125.2	178.2	-59.7	171.4	0	0	0	108.5	A163 S164 D167 V171	A163-I169 CarbonylContact C-O 3.52Å; A163-I169 VanDerWaalsContact CA-O 3.27Å; A163-I169 WeakPolarHBondContact CA-O 3.3Å; A163-I169 VanDerWaalsContact CB-O 3.29Å; A163-I169 WeakPolarHBondContact CB-O 3.48Å; S164-I169 PolarHBondContact N-O 2.86Å; S164-I169 PolarHBondContact O-N 2.84Å; D167-I169 VanDerWaalsContact C-N 3.28Å; D167-I169 HydrophobicContact CB-CD1 3.92Å; D167-I169 HydrophobicContact CB-CG1 3.98Å; D167-I169 PolarHBondContact O-N 2.87Å; I169-V171 PolarHBondContact O-N 3.24Å
170	N	98.5	Very high	98	Very high	52 Å²	52	40.9 Å²	40.9	28%	0.278	20%	0.195	S	C	.	.	S	Bend	trans	57.7	5	176.5	-66.4	-28.3	0	0	0	116.9	F161 E162 A163 Q173 T174	F161-N170 HydrophobicContact CD1-CB 4.32Å; E162-N170 WeakPolarHBondContact O-CB 3.34Å; E162-N170 PolarHBondContact O-ND2 3.32Å; A163-N170 HydrophobicContact CB-CB 4.04Å; N170-Q173 VanDerWaalsContact CA-OE1 3.28Å; N170-Q173 PolarHBondContact O-N 3.02Å; N170-T174 PolarHBondContact O-N 3.29Å; N170-T174 PolarHBondContact O-OG1 3.49Å
171	V	98.4	Very high	97.8	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.5	-54.8	-177.9	-179.4	0	0	0	0	111	F37 R40 S164 I169 Q173 T174 F175	F37-V171 HydrophobicContact CD1-CG1 4.28Å; F37-V171 HydrophobicContact CD2-CG1 4.34Å; F37-V171 HydrophobicContact CD2-CG2 4.05Å; F37-V171 HydrophobicContact CE1-CG1 4.1Å; F37-V171 HydrophobicContact CE2-CB 4.15Å; F37-V171 HydrophobicContact CE2-CG1 4.16Å; F37-V171 HydrophobicContact CE2-CG2 3.69Å; F37-V171 HydrophobicContact CG-CG1 4.4Å; F37-V171 HydrophobicContact CZ-CB 4.18Å; F37-V171 HydrophobicContact CZ-CG1 4.04Å; F37-V171 HydrophobicContact CZ-CG2 4.23Å; R40-V171 HydrophobicContact CB-CG1 4.24Å; R40-V171 HydrophobicContact CG-CB 4.2Å; R40-V171 HydrophobicContact CG-CG1 3.94Å; R40-V171 HydrophobicContact CG-CG2 3.89Å; S164-V171 WeakPolarHBondContact O-CG2 3.48Å; I169-V171 PolarHBondContact O-N 3.24Å; V171-Q173 VanDerWaalsContact C-N 3.34Å; V171-Q173 PolarHBondContact O-N 3Å; V171-T174 PolarHBondContact O-N 3.02Å; V171-F175 HydrophobicContact CG1-CE2 4.42Å; V171-F175 VanDerWaalsContact O-CD2 3.28Å; V171-F175 WeakPolarHBondContact O-CD2 3.42Å
172	K	97.3	Very high	97.6	Very high	113 Å²	113	38 Å²	38	49%	0.491	18%	0.183	S	C	.	.	H	α-helix	trans	-63.2	-43	179.6	-168.2	-171.2	-177.5	-126.5	0	111.2	Y41 T174 F175 E176	Y41-K172 HydrophobicContact CE2-CG 4.31Å; K172-T174 VanDerWaalsContact C-N 3.33Å; K172-T174 PolarHBondContact O-N 2.94Å; K172-F175 PolarHBondContact O-N 2.65Å; K172-E176 WeakPolarHBondContact CE-OE1 3.39Å; K172-E176 HydrophobicContact CG-CG 4.13Å; K172-E176 IonicContact NZ-OE1 2.78Å; K172-E176 PolarHBondContact NZ-OE1 3.1Å; K172-E176 IonicContact NZ-OE2 3.8Å; K172-E176 VanDerWaalsContact O-CG 3.3Å; K172-E176 WeakPolarHBondContact O-CG 3.44Å; K172-E176 PolarHBondContact O-N 2.92Å
173	Q	98.3	Very high	97.4	Very high	89 Å²	89	37.7 Å²	37.7	42%	0.416	18%	0.184	S	C	.	.	H	α-helix	trans	-60.2	-40.8	-177.7	-66.9	84.8	-26.2	0	0	111.6	F161 N170 V171 E176 R177	F161-Q173 HydrophobicContact CE1-CB 4.47Å; N170-Q173 VanDerWaalsContact CA-OE1 3.28Å; N170-Q173 PolarHBondContact O-N 3.02Å; V171-Q173 VanDerWaalsContact C-N 3.34Å; V171-Q173 PolarHBondContact O-N 3Å; Q173-E176 PolarHBondContact O-N 2.85Å; Q173-R177 VanDerWaalsContact O-CB 3.31Å; Q173-R177 WeakPolarHBondContact O-CB 3.24Å; Q173-R177 PolarHBondContact O-N 3.15Å
174	T	98.6	Very high	97.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58	-49.6	174.3	-62	0	0	0	0	111.6	F37 I98 L130 V132 N170 V171 K172 L178	F37-T174 HydrophobicContact CE1-CG2 4.22Å; F37-T174 HydrophobicContact CZ-CG2 4.27Å; I98-T174 HydrophobicContact CD1-CG2 3.97Å; I98-T174 HydrophobicContact CG1-CG2 4.25Å; I98-T174 HydrophobicContact CG2-CG2 4.25Å; L130-T174 HydrophobicContact CD1-CG2 3.98Å; L130-T174 WeakPolarHBondContact CD1-O 3.27Å; V132-T174 HydrophobicContact CG2-CG2 3.63Å; N170-T174 PolarHBondContact O-N 3.29Å; N170-T174 PolarHBondContact O-OG1 3.49Å; V171-T174 PolarHBondContact O-N 3.02Å; K172-T174 VanDerWaalsContact C-N 3.33Å; K172-T174 PolarHBondContact O-N 2.94Å; T174-L178 WeakPolarHBondContact O-CB 3.23Å; T174-L178 PolarHBondContact O-N 2.92Å
175	F	98.1	Very high	96.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.2	-41.9	179.5	-75.2	-84	0	0	0	112.2	I26 F37 Y41 I74 I98 V171 K172 L178 V179	I26-F175 HydrophobicContact CD1-CE1 4.48Å; I26-F175 HydrophobicContact CD1-CZ 3.93Å; F37-F175 AromaticContact CD1-CE2 3.6Å; F37-F175 HydrophobicContact CD1-CE2 3.6Å; F37-F175 HydrophobicContact CD1-CZ 4.05Å; F37-F175 HydrophobicContact CE1-CD2 4.11Å; F37-F175 AromaticContact CE1-CE2 3.45Å; F37-F175 HydrophobicContact CE1-CE2 3.45Å; F37-F175 VanDerWaalsContact CE1-CE2 3.45Å; F37-F175 HydrophobicContact CE1-CZ 4.18Å; Y41-F175 VanDerWaalsContact CB-CE2 3.43Å; Y41-F175 HydrophobicContact CD1-CD1 4.04Å; Y41-F175 AromaticContact CD1-CD2 3.76Å; Y41-F175 HydrophobicContact CD1-CD2 3.76Å; Y41-F175 HydrophobicContact CD1-CE1 4.09Å; Y41-F175 AromaticContact CD1-CE2 3.83Å; Y41-F175 HydrophobicContact CD1-CE2 3.83Å; Y41-F175 AromaticContact CD1-CG 3.88Å; Y41-F175 HydrophobicContact CD1-CG 3.88Å; Y41-F175 AromaticContact CD1-CZ 3.99Å; Y41-F175 HydrophobicContact CD1-CZ 3.99Å; Y41-F175 HydrophobicContact CD2-CB 4.04Å; Y41-F175 AromaticContact CD2-CD2 3.35Å; Y41-F175 HydrophobicContact CD2-CD2 3.35Å; Y41-F175 AromaticContact CD2-CE2 3.96Å; Y41-F175 HydrophobicContact CD2-CE2 3.96Å; Y41-F175 AromaticContact CD2-CG 3.82Å; Y41-F175 HydrophobicContact CD2-CG 3.82Å; Y41-F175 HydrophobicContact CE1-CB 4.16Å; Y41-F175 AromaticContact CE1-CD1 3.93Å; Y41-F175 HydrophobicContact CE1-CD1 3.93Å; Y41-F175 HydrophobicContact CE1-CD2 4.16Å; Y41-F175 HydrophobicContact CE1-CE1 4.37Å; Y41-F175 AromaticContact CE1-CG 3.82Å; Y41-F175 HydrophobicContact CE1-CG 3.82Å; Y41-F175 HydrophobicContact CE2-CB 3.52Å; Y41-F175 AromaticContact CE2-CD2 3.78Å; Y41-F175 HydrophobicContact CE2-CD2 3.78Å; Y41-F175 AromaticContact CE2-CG 3.75Å; Y41-F175 HydrophobicContact CE2-CG 3.75Å; Y41-F175 HydrophobicContact CG-CD1 4.44Å; Y41-F175 AromaticContact CG-CD2 3.32Å; Y41-F175 HydrophobicContact CG-CD2 3.32Å; Y41-F175 AromaticContact CG-CE2 3.46Å; Y41-F175 HydrophobicContact CG-CE2 3.46Å; Y41-F175 VanDerWaalsContact CG-CE2 3.46Å; Y41-F175 AromaticContact CG-CG 3.87Å; Y41-F175 HydrophobicContact CG-CG 3.87Å; Y41-F175 HydrophobicContact CG-CZ 4.08Å; Y41-F175 AromaticContact CZ-CG 3.75Å; I74-F175 HydrophobicContact CD1-CD1 4.14Å; I74-F175 HydrophobicContact CD1-CE1 3.78Å; I74-F175 HydrophobicContact CG1-CE1 4.3Å; I74-F175 HydrophobicContact CG2-CE1 3.93Å; I74-F175 HydrophobicContact CG2-CZ 4.46Å; I98-F175 HydrophobicContact CD1-CD1 3.77Å; I98-F175 HydrophobicContact CD1-CD2 4.44Å; I98-F175 HydrophobicContact CD1-CE1 3.43Å; I98-F175 VanDerWaalsContact CD1-CE1 3.43Å; I98-F175 HydrophobicContact CD1-CE2 4.15Å; I98-F175 HydrophobicContact CD1-CG 4.26Å; I98-F175 HydrophobicContact CD1-CZ 3.65Å; V171-F175 HydrophobicContact CG1-CE2 4.42Å; V171-F175 VanDerWaalsContact O-CD2 3.28Å; V171-F175 WeakPolarHBondContact O-CD2 3.42Å; K172-F175 PolarHBondContact O-N 2.65Å; F175-L178 PolarHBondContact O-N 3.36Å; F175-V179 VanDerWaalsContact O-CG2 3.23Å; F175-V179 WeakPolarHBondContact O-CG2 3.35Å; F175-V179 PolarHBondContact O-N 2.85Å
176	E	96.9	Very high	96.1	Very high	38 Å²	38	46 Å²	46	18%	0.178	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-46.2	178.3	-68.9	-177.3	141.3	0	0	111	R65 K172 Q173 L178 V179 D180	R65-E176 IonicContact CZ-OE1 2.86Å; R65-E176 IonicContact NH2-OE1 2.91Å; R65-E176 PolarHBondContact NH2-OE1 2.96Å; R65-E176 IonicContact NH2-OE2 3.41Å; K172-E176 WeakPolarHBondContact CE-OE1 3.39Å; K172-E176 HydrophobicContact CG-CG 4.13Å; K172-E176 IonicContact NZ-OE1 2.78Å; K172-E176 PolarHBondContact NZ-OE1 3.1Å; K172-E176 IonicContact NZ-OE2 3.8Å; K172-E176 VanDerWaalsContact O-CG 3.3Å; K172-E176 WeakPolarHBondContact O-CG 3.44Å; K172-E176 PolarHBondContact O-N 2.92Å; Q173-E176 PolarHBondContact O-N 2.85Å; E176-L178 PolarHBondContact O-N 3.04Å; E176-V179 WeakPolarHBondContact O-CB 3.4Å; E176-V179 PolarHBondContact O-N 3.23Å; E176-D180 PolarHBondContact O-N 3Å
177	R	97.9	Very high	95.6	Very high	64 Å²	64	44 Å²	44	24%	0.242	22%	0.22	C	C	.	.	H	α-helix	trans	-64	-42.9	178.5	-177.7	57.6	-173.3	145.3	2.2	112.1	L130 E159 F161 Q173 V179 D180 I181 E184	L130-R177 HydrophobicContact CD1-CB 4.33Å; L130-R177 HydrophobicContact CD1-CG 4.48Å; E159-R177 IonicContact OE1-CZ 3.74Å; E159-R177 VanDerWaalsContact OE1-CZ 3.3Å; E159-R177 IonicContact OE1-NE 2.68Å; E159-R177 PolarHBondContact OE1-NE 3.02Å; E159-R177 VanDerWaalsContact OE1-NE 3.15Å; E159-R177 IonicContact OE1-NH2 3.76Å; E159-R177 PolarHBondContact OE1-NH2 3.37Å; E159-R177 WeakPolarHBondContact OE2-CG 3.39Å; E159-R177 IonicContact OE2-CZ 2.9Å; E159-R177 IonicContact OE2-NE 3.57Å; E159-R177 PolarHBondContact OE2-NE 3.48Å; E159-R177 IonicContact OE2-NH2 3.95Å; F161-R177 HydrophobicContact CE2-CB 4.16Å; F161-R177 HydrophobicContact CE2-CG 4.09Å; F161-R177 HydrophobicContact CZ-CB 4.15Å; F161-R177 HydrophobicContact CZ-CG 4.22Å; Q173-R177 VanDerWaalsContact O-CB 3.31Å; Q173-R177 WeakPolarHBondContact O-CB 3.24Å; Q173-R177 PolarHBondContact O-N 3.15Å; R177-V179 VanDerWaalsContact C-N 3.29Å; R177-V179 PolarHBondContact O-N 3.39Å; R177-D180 PolarHBondContact O-N 3.37Å; R177-D180 VanDerWaalsContact O-N 3.17Å; R177-I181 HydrophobicContact CG-CD1 3.97Å; R177-I181 HydrophobicContact CG-CG1 4.4Å; R177-I181 VanDerWaalsContact CZ-CG1 3.48Å; R177-I181 VanDerWaalsContact O-CG1 3.29Å; R177-I181 WeakPolarHBondContact O-CG1 3.25Å; R177-I181 PolarHBondContact O-N 3.18Å; R177-E184 IonicContact NH1-OE1 2.8Å; R177-E184 PolarHBondContact NH1-OE1 3.33Å; R177-E184 IonicContact NH1-OE2 3.8Å; R177-E184 IonicContact NH2-OE2 3.25Å
178	L	97.9	Very high	94.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.3	-41.5	177.3	-178.6	56.9	0	0	0	111.6	I24 I98 Q128 L130 T174 F175 E176 D180 I181 I182	I24-L178 HydrophobicContact CD1-CD2 4.17Å; I24-L178 HydrophobicContact CG1-CD2 4.28Å; I24-L178 HydrophobicContact CG2-CD2 3.72Å; I98-L178 HydrophobicContact CD1-CD2 4.31Å; I98-L178 HydrophobicContact CG1-CD2 3.69Å; Q128-L178 HydrophobicContact CB-CD1 3.94Å; L130-L178 HydrophobicContact CD1-CB 3.7Å; L130-L178 HydrophobicContact CG-CB 4.23Å; L130-L178 HydrophobicContact CG-CD1 4.25Å; T174-L178 WeakPolarHBondContact O-CB 3.23Å; T174-L178 PolarHBondContact O-N 2.92Å; F175-L178 PolarHBondContact O-N 3.36Å; E176-L178 PolarHBondContact O-N 3.04Å; L178-D180 VanDerWaalsContact C-N 3.34Å; L178-I181 PolarHBondContact O-N 2.72Å; L178-I182 HydrophobicContact CD1-CD1 4.21Å; L178-I182 HydrophobicContact CD1-CG1 4.43Å; L178-I182 HydrophobicContact CG-CD1 4.02Å; L178-I182 WeakPolarHBondContact O-CD1 3.41Å; L178-I182 VanDerWaalsContact O-CG1 3.22Å; L178-I182 WeakPolarHBondContact O-CG1 3.3Å; L178-I182 PolarHBondContact O-N 2.92Å
179	V	97	Very high	93.9	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.5	-44.7	175.6	167.1	0	0	0	0	110.8	F22 I24 I63 R65 I70 L72 F175 E176 R177 I182 C183	F22-V179 HydrophobicContact CD2-CG1 4.33Å; F22-V179 HydrophobicContact CD2-CG2 4.34Å; F22-V179 HydrophobicContact CE2-CG1 3.96Å; I24-V179 HydrophobicContact CD1-CG2 4.42Å; I63-V179 HydrophobicContact CD1-CB 4.28Å; I63-V179 HydrophobicContact CD1-CG1 3.77Å; I63-V179 HydrophobicContact CD1-CG2 3.84Å; R65-V179 HydrophobicContact CG-CG1 4.06Å; I70-V179 HydrophobicContact CD1-CG1 4.09Å; L72-V179 HydrophobicContact CD1-CG2 3.97Å; L72-V179 HydrophobicContact CD2-CG2 3.62Å; L72-V179 HydrophobicContact CG-CG2 4.45Å; F175-V179 VanDerWaalsContact O-CG2 3.23Å; F175-V179 WeakPolarHBondContact O-CG2 3.35Å; F175-V179 PolarHBondContact O-N 2.85Å; E176-V179 WeakPolarHBondContact O-CB 3.4Å; E176-V179 PolarHBondContact O-N 3.23Å; R177-V179 VanDerWaalsContact C-N 3.29Å; R177-V179 PolarHBondContact O-N 3.39Å; V179-I182 PolarHBondContact O-N 3.11Å; V179-C183 PolarHBondContact O-N 3.26Å; V179-C183 PolarHBondContact O-SG 3.37Å
180	D	95.8	Very high	92.5	Very high	51 Å²	51	43.9 Å²	43.9	27%	0.273	22%	0.217	S	C	.	.	H	α-helix	trans	-62.2	-45.4	-180	-63.2	-21.9	0	0	0	111	R65 E176 R177 L178 I182 C183 E184	R65-D180 IonicContact NE-OD1 3.84Å; E176-D180 PolarHBondContact O-N 3Å; R177-D180 PolarHBondContact O-N 3.37Å; R177-D180 VanDerWaalsContact O-N 3.17Å; L178-D180 VanDerWaalsContact C-N 3.34Å; D180-I182 VanDerWaalsContact C-N 3.33Å; D180-I182 PolarHBondContact O-N 2.95Å; D180-C183 WeakPolarHBondContact O-CB 3.44Å; D180-C183 PolarHBondContact O-N 3.33Å; D180-C183 VanDerWaalsContact O-N 3.13Å; D180-E184 VanDerWaalsContact O-CG 3.3Å; D180-E184 WeakPolarHBondContact O-CG 3.28Å; D180-E184 PolarHBondContact O-N 3.38Å
181	I	95.3	Very high	91.1	Very high	18 Å²	18	48.5 Å²	48.5	9%	0.092	24%	0.242	C	C	.	.	H	α-helix	trans	-60.7	-41.7	176.1	-60	163.9	0	0	0	111.1	Q128 L130 R177 L178 C183 E184 K185	Q128-I181 HydrophobicContact CB-CG2 4.01Å; Q128-I181 HydrophobicContact CG-CG2 3.75Å; Q128-I181 VanDerWaalsContact OE1-CG2 3.23Å; L130-I181 HydrophobicContact CD2-CD1 3.84Å; L130-I181 HydrophobicContact CG-CD1 4.48Å; R177-I181 HydrophobicContact CG-CD1 3.97Å; R177-I181 HydrophobicContact CG-CG1 4.4Å; R177-I181 VanDerWaalsContact CZ-CG1 3.48Å; R177-I181 VanDerWaalsContact O-CG1 3.29Å; R177-I181 WeakPolarHBondContact O-CG1 3.25Å; R177-I181 PolarHBondContact O-N 3.18Å; L178-I181 PolarHBondContact O-N 2.72Å; I181-C183 VanDerWaalsContact C-N 3.34Å; I181-C183 PolarHBondContact O-N 3.08Å; I181-E184 PolarHBondContact O-N 2.9Å; I181-K185 WeakPolarHBondContact O-CB 3.48Å; I181-K185 PolarHBondContact O-N 3.18Å
182	I	94.8	Very high	89.4	Confident	4 Å²	4	52.3 Å²	52.3	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-63.1	-42.9	176.3	-68	164.7	0	0	0	110.6	F22 I24 M95 Q128 L178 V179 D180 K185 M186	F22-I182 HydrophobicContact CD1-CG2 4.15Å; F22-I182 HydrophobicContact CD2-CB 4.29Å; F22-I182 HydrophobicContact CD2-CD1 4.24Å; F22-I182 HydrophobicContact CD2-CG2 3.89Å; F22-I182 HydrophobicContact CE1-CG2 4Å; F22-I182 HydrophobicContact CE2-CB 4.08Å; F22-I182 HydrophobicContact CE2-CG2 3.69Å; F22-I182 HydrophobicContact CG-CG2 4.14Å; F22-I182 HydrophobicContact CZ-CG2 3.79Å; I24-I182 HydrophobicContact CG1-CD1 4.47Å; M95-I182 HydrophobicContact CB-CD1 4.16Å; M95-I182 HydrophobicContact CB-CG1 4.5Å; M95-I182 HydrophobicContact CB-CG2 4.22Å; M95-I182 HydrophobicContact CE-CG2 3.62Å; Q128-I182 HydrophobicContact CB-CG1 4.06Å; Q128-I182 HydrophobicContact CG-CG1 3.92Å; L178-I182 HydrophobicContact CD1-CD1 4.21Å; L178-I182 HydrophobicContact CD1-CG1 4.43Å; L178-I182 HydrophobicContact CG-CD1 4.02Å; L178-I182 WeakPolarHBondContact O-CD1 3.41Å; L178-I182 VanDerWaalsContact O-CG1 3.22Å; L178-I182 WeakPolarHBondContact O-CG1 3.3Å; L178-I182 PolarHBondContact O-N 2.92Å; V179-I182 PolarHBondContact O-N 3.11Å; D180-I182 VanDerWaalsContact C-N 3.33Å; D180-I182 PolarHBondContact O-N 2.95Å; I182-K185 PolarHBondContact O-N 3.15Å; I182-M186 WeakPolarHBondContact O-CG 3.49Å; I182-M186 PolarHBondContact O-N 3.18Å
183	C	93.3	Very high	87.2	Confident	25 Å²	25	49.9 Å²	49.9	17%	0.169	28%	0.281	C	S	.	.	H	α-helix	trans	-61.5	-47.4	176.2	-77.3	0	0	0	0	112.1	V179 D180 I181 K185 M186 S187	V179-C183 PolarHBondContact O-N 3.26Å; V179-C183 PolarHBondContact O-SG 3.37Å; D180-C183 WeakPolarHBondContact O-CB 3.44Å; D180-C183 PolarHBondContact O-N 3.33Å; D180-C183 VanDerWaalsContact O-N 3.13Å; I181-C183 VanDerWaalsContact C-N 3.34Å; I181-C183 PolarHBondContact O-N 3.08Å; C183-K185 VanDerWaalsContact C-N 3.34Å; C183-K185 PolarHBondContact O-N 2.9Å; C183-M186 PolarHBondContact O-N 2.95Å; C183-S187 PolarHBondContact O-N 3.36Å; C183-S187 PolarHBondContact O-OG 3.34Å
184	E	92	Very high	84.8	Confident	88 Å²	88	49.5 Å²	49.5	41%	0.411	28%	0.282	S	S	.	.	H	α-helix	trans	-55.3	-49.2	175.9	-70.7	163.5	-162	0	0	110.3	R177 D180 I181 M186 S187 E188	R177-E184 IonicContact NH1-OE1 2.8Å; R177-E184 PolarHBondContact NH1-OE1 3.33Å; R177-E184 IonicContact NH1-OE2 3.8Å; R177-E184 IonicContact NH2-OE2 3.25Å; D180-E184 VanDerWaalsContact O-CG 3.3Å; D180-E184 WeakPolarHBondContact O-CG 3.28Å; D180-E184 PolarHBondContact O-N 3.38Å; I181-E184 PolarHBondContact O-N 2.9Å; E184-M186 PolarHBondContact O-N 2.99Å; E184-S187 WeakPolarHBondContact CA-OG 3.5Å; E184-S187 PolarHBondContact O-N 3.37Å; E184-S187 PolarHBondContact O-OG 3.19Å; E184-E188 PolarHBondContact O-N 2.9Å; E184-E188 VanDerWaalsContact O-N 3.11Å
185	K	89.8	Confident	82.3	Confident	68 Å²	68	54.6 Å²	54.6	30%	0.296	31%	0.314	S	S	.	.	H	α-helix	trans	-63.5	-38.5	179.6	-163.9	73.8	-155.5	153.9	0	113.3	I181 I182 C183 E188 S189	I181-K185 WeakPolarHBondContact O-CB 3.48Å; I181-K185 PolarHBondContact O-N 3.18Å; I182-K185 PolarHBondContact O-N 3.15Å; C183-K185 VanDerWaalsContact C-N 3.34Å; C183-K185 PolarHBondContact O-N 2.9Å; K185-E188 IonicContact NZ-OE2 2.72Å; K185-E188 PolarHBondContact NZ-OE2 3.43Å; K185-S189 PolarHBondContact O-N 2.95Å; K185-S189 PolarHBondContact O-OG 2.98Å
186	M	86.9	Confident	80	Confident	22 Å²	22	57 Å²	57	11%	0.108	33%	0.334	C	S	.	.	H	α-helix	trans	-65.9	-40.1	175.5	-75	-166.1	-52	0	0	112	Y20 F22 M95 I182 C183 E184 S189 L190	Y20-M186 HydrophobicContact CD1-CE 4.2Å; Y20-M186 HydrophobicContact CE1-CE 4.38Å; Y20-M186 HydrophobicContact CG-CE 4.47Å; F22-M186 HydrophobicContact CE1-CE 3.36Å; F22-M186 HydrophobicContact CE1-SD 3.88Å; F22-M186 HydrophobicContact CZ-CE 3.29Å; F22-M186 HydrophobicContact CZ-SD 4.35Å; M95-M186 HydrophobicContact CE-CG 4.15Å; M95-M186 HydrophobicContact CE-SD 3.52Å; M95-M186 VanDerWaalsContact CE-SD 3.52Å; I182-M186 WeakPolarHBondContact O-CG 3.49Å; I182-M186 PolarHBondContact O-N 3.18Å; C183-M186 PolarHBondContact O-N 2.95Å; E184-M186 PolarHBondContact O-N 2.99Å; M186-S189 PolarHBondContact O-N 3.4Å; M186-L190 WeakPolarHBondContact O-CG 3.35Å; M186-L190 PolarHBondContact O-N 3.04Å; M186-L190 VanDerWaalsContact O-N 3.16Å
187	S	85.6	Confident	77.8	Confident	60 Å²	60	57.1 Å²	57.1	42%	0.42	34%	0.338	S	S	.	.	H	α-helix	trans	-62.4	-44.9	176.4	45.6	0	0	0	0	112.5	C183 E184 S189 L190 D191	C183-S187 PolarHBondContact O-N 3.36Å; C183-S187 PolarHBondContact O-OG 3.34Å; E184-S187 WeakPolarHBondContact CA-OG 3.5Å; E184-S187 PolarHBondContact O-N 3.37Å; E184-S187 PolarHBondContact O-OG 3.19Å; S187-S189 VanDerWaalsContact C-N 3.26Å; S187-S189 PolarHBondContact O-N 3.22Å; S187-L190 PolarHBondContact O-N 3.35Å; S187-D191 PolarHBondContact O-N 2.7Å
188	E	83.8	Confident	75.4	Confident	107 Å²	107	59.7 Å²	59.7	50%	0.5	36%	0.361	S	S	.	.	H	α-helix	trans	-57.8	-39.4	175.8	-68.2	175.7	175.3	0	0	112.4	E184 K185 D191 A192	E184-E188 PolarHBondContact O-N 2.9Å; E184-E188 VanDerWaalsContact O-N 3.11Å; K185-E188 IonicContact NZ-OE2 2.72Å; K185-E188 PolarHBondContact NZ-OE2 3.43Å; E188-D191 PolarHBondContact O-N 3.3Å; E188-A192 WeakPolarHBondContact O-CB 3.48Å; E188-A192 PolarHBondContact O-N 2.99Å; E188-A192 VanDerWaalsContact O-N 3.12Å
189	S	76.5	Confident	72.9	Confident	15 Å²	15	61.8 Å²	61.8	11%	0.105	38%	0.383	C	S	.	.	H	α-helix	trans	-70.9	-32.4	-177.7	-53.5	0	0	0	0	112.6	K185 M186 S187 G193 D194 V197	K185-S189 PolarHBondContact O-N 2.95Å; K185-S189 PolarHBondContact O-OG 2.98Å; M186-S189 PolarHBondContact O-N 3.4Å; S187-S189 VanDerWaalsContact C-N 3.26Å; S187-S189 PolarHBondContact O-N 3.22Å; S189-G193 PolarHBondContact O-N 3.02Å; S189-D194 PolarHBondContact O-N 2.96Å; S189-V197 VanDerWaalsContact CB-CG2 3.46Å
190	L	69.8	Low	70.5	Confident	108 Å²	108	63.5 Å²	63.5	57%	0.565	40%	0.397	S	S	*	.	H	α-helix	trans	-70.7	-39.4	176.5	-70.7	168.4	0	0	0	111.5	M186 S187 A192 G193 V197	M186-L190 WeakPolarHBondContact O-CG 3.35Å; M186-L190 PolarHBondContact O-N 3.04Å; M186-L190 VanDerWaalsContact O-N 3.16Å; S187-L190 PolarHBondContact O-N 3.35Å; L190-A192 VanDerWaalsContact C-N 3.31Å; L190-G193 PolarHBondContact O-N 3.03Å; L190-V197 HydrophobicContact CD2-CG1 4.24Å
191	D	68.4	Low	67.9	Low	148 Å²	148	69 Å²	69	79%	0.791	42%	0.418	S	S	*	.	H	α-helix	trans	-71.3	-27.7	177.4	-68.2	-26	0	0	0	112.3	S187 E188	S187-D191 PolarHBondContact O-N 2.7Å; E188-D191 PolarHBondContact O-N 3.3Å
192	A	63.2	Low	65.5	Low	80 Å²	80	76.9 Å²	76.9	66%	0.661	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-7.3	178	0	0	0	0	0	114.7	E188 L190	E188-A192 WeakPolarHBondContact O-CB 3.48Å; E188-A192 PolarHBondContact O-N 2.99Å; E188-A192 VanDerWaalsContact O-N 3.12Å; L190-A192 VanDerWaalsContact C-N 3.31Å
193	G	50.7	Low	62.7	Low	63 Å²	63	79 Å²	79	65%	0.649	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	24.8	177.7	0	0	0	0	0	115.3	S189 L190 P195	S189-G193 PolarHBondContact O-N 3.02Å; L190-G193 PolarHBondContact O-N 3.03Å; G193-P195 WeakPolarHBondContact O-CD 3.21Å
194	D	49.3	Very low	59.9	Low	81 Å²	81	82.7 Å²	82.7	43%	0.433	50%	0.501	S	S	.	.			trans	-82.5	120.7	-175.9	-164.8	-25	0	0	0	112.3	S189 A196	S189-D194 PolarHBondContact O-N 2.96Å; D194-A196 PolarHBondContact O-N 3.4Å; D194-A196 VanDerWaalsContact O-N 3.12Å; D194-A196 WeakPolarHBondContact OD1-CB 3.4Å; D194-A196 PolarHBondContact OD1-N 3.23Å; D194-A196 VanDerWaalsContact OD1-N 3.15Å
195	P	46.1	Very low	57.3	Low	106 Å²	106	87.3 Å²	87.3	69%	0.688	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-67.5	-5.4	-179.4	25.6	-33.2	0	0	0	115.4	G193 V197 T198	G193-P195 WeakPolarHBondContact O-CD 3.21Å; P195-V197 PolarHBondContact O-N 3.33Å; P195-T198 PolarHBondContact O-OG1 2.97Å
196	A	49.9	Very low	54.7	Low	51 Å²	51	91.3 Å²	91.3	42%	0.421	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	-69.6	-10.3	-179.9	0	0	0	0	0	115.2	D194 T198	D194-A196 PolarHBondContact O-N 3.4Å; D194-A196 VanDerWaalsContact O-N 3.12Å; D194-A196 WeakPolarHBondContact OD1-CB 3.4Å; D194-A196 PolarHBondContact OD1-N 3.23Å; D194-A196 VanDerWaalsContact OD1-N 3.15Å; A196-T198 PolarHBondContact O-N 3.46Å
197	V	50.1	Low	52.3	Low	41 Å²	41	96.2 Å²	96.2	25%	0.248	58%	0.578	C	S	.	*	G	3₁₀ helix	trans	-74.9	-0.8	-178.8	-174.2	0	0	0	0	113.4	S189 L190 P195 G199 A200	S189-V197 VanDerWaalsContact CB-CG2 3.46Å; L190-V197 HydrophobicContact CD2-CG1 4.24Å; P195-V197 PolarHBondContact O-N 3.33Å; V197-G199 PolarHBondContact O-N 3.25Å; V197-A200 PolarHBondContact O-N 3.26Å
198	T	47.3	Very low	49.9	Very low	117 Å²	117	102.7 Å²	102.7	72%	0.718	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-71.1	2	-179.1	50.5	0	0	0	0	115.3	P195 A196 A200	P195-T198 PolarHBondContact O-OG1 2.97Å; A196-T198 PolarHBondContact O-N 3.46Å; T198-A200 VanDerWaalsContact C-N 3.3Å
199	G	45.2	Very low	47.5	Very low	45 Å²	45	106.5 Å²	106.5	46%	0.464	62%	0.619	S	S	.	*	G	3₁₀ helix	trans	-70.4	-21.9	167.3	0	0	0	0	0	114.2	V197 K201	V197-G199 PolarHBondContact O-N 3.25Å; G199-K201 VanDerWaalsContact C-N 3.27Å; G199-K201 PolarHBondContact O-N 3.09Å
200	A	46.8	Very low	45.4	Very low	36 Å²	36	111.1 Å²	111.1	30%	0.298	65%	0.652	S	S	.	*	S	Bend	trans	-77.9	77.5	168.4	0	0	0	0	0	109.1	V197 T198 Q202	V197-A200 PolarHBondContact O-N 3.26Å; T198-A200 VanDerWaalsContact C-N 3.3Å; A200-Q202 PolarHBondContact O-N 3.44Å; A200-Q202 VanDerWaalsContact O-N 3.12Å
201	K	40.6	Very low	43.7	Very low	165 Å²	165	112.3 Å²	112.3	72%	0.717	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-63.5	117	175.2	-70.4	-169.5	176.7	-173	0	109.5	G199 G203	G199-K201 VanDerWaalsContact C-N 3.27Å; G199-K201 PolarHBondContact O-N 3.09Å; K201-G203 PolarHBondContact O-N 3.12Å
202	Q	45.5	Very low	42.2	Very low	185 Å²	185	110.4 Å²	110.4	86%	0.864	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-52.4	125.3	146.8	-72.8	175.9	-2.2	0	0	106.4	A200	A200-Q202 PolarHBondContact O-N 3.44Å; A200-Q202 VanDerWaalsContact O-N 3.12Å
203	G	35.8	Very low	41	Very low	49 Å²	49	112.4 Å²	112.4	51%	0.505	67%	0.665	S	S	.	*	P	Polyproline II helix	trans	-53.8	142.7	-167.3	0	0	0	0	0	113.2	K201	K201-G203 PolarHBondContact O-N 3.12Å
204	P	35.4	Very low	40.5	Very low	101 Å²	101	118.7 Å²	118.7	66%	0.656	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-70.5	132.4	177.6	27.7	-31.8	0	0	0	111.2	L206	P204-L206 PolarHBondContact O-N 2.8Å
205	Q	36.9	Very low	40	Very low	186 Å²	186	123.7 Å²	123.7	87%	0.869	70%	0.698	S	S	*	*			trans	-72.4	108.1	165.5	-154.6	170.3	43.3	0	0	107.6	T207	Q205-T207 PolarHBondContact O-N 2.91Å
206	L	35.7	Very low	39.8	Very low	151 Å²	151	126.6 Å²	126.6	79%	0.791	71%	0.708	S	S	*	*			trans	-71.9	104.5	174.6	-71.5	164.6	0	0	0	108.4	P204	P204-L206 PolarHBondContact O-N 2.8Å
207	T	36.2	Very low	39.1	Very low	125 Å²	125	130.8 Å²	130.8	77%	0.767	73%	0.732	S	S	*	*			trans	-79.6	113.6	160.6	31	0	0	0	0	108.4	Q205 Q209	Q205-T207 PolarHBondContact O-N 2.91Å; T207-Q209 PolarHBondContact O-N 2.9Å
208	E	34.6	Very low	38.6	Very low	197 Å²	197	133.3 Å²	133.3	92%	0.921	76%	0.758	S	S	*	*			trans	-56.4	117.4	170.3	-72.4	177	120.5	0	0	109.7
209	Q	33	Very low	38.5	Very low	187 Å²	187	137.8 Å²	137.8	87%	0.874	79%	0.792	S	S	*	*			trans	-96.8	107.9	160.2	-83.8	-173.7	-12.8	0	0	108.4	T207 T211	T207-Q209 PolarHBondContact O-N 2.9Å; Q209-T211 PolarHBondContact O-N 2.69Å
210	S	32.1	Very low	38.2	Very low	112 Å²	112	142.5 Å²	142.5	78%	0.783	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-53.6	127.2	169.8	51.4	0	0	0	0	111.7
211	T	35.5	Very low	37.8	Very low	133 Å²	133	148.1 Å²	148.1	82%	0.816	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-66.5	133.9	171.9	-31.7	0	0	0	0	110.4	Q209	Q209-T211 PolarHBondContact O-N 2.69Å
212	P	36.3	Very low	37.6	Very low	107 Å²	107	147.1 Å²	147.1	70%	0.695	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-78.4	152.7	171.5	30.2	-30.8	0	0	0	111.4
213	P	38	Very low	37.1	Very low	122 Å²	122	144.9 Å²	144.9	79%	0.792	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-75.3	141.8	-173.1	30.1	-32.2	0	0	0	112.3	Q215	P213-Q215 PolarHBondContact O-N 3.25Å
214	H	39.3	Very low	37.2	Very low	195 Å²	195	150.9 Å²	150.9	90%	0.903	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-57.1	127.6	168.9	-99.3	-90.4	0	0	0	110.9
215	Q	40.6	Very low	37.3	Very low	187 Å²	187	154.2 Å²	154.2	87%	0.874	88%	0.875	S	S	*	*	P	Polyproline II helix	trans	-99.6	128.6	165.6	-102.2	178.8	-7.5	0	0	110	P213	P213-Q215 PolarHBondContact O-N 3.25Å
216	D	39.9	Very low	37.4	Very low	167 Å²	167	151.9 Å²	151.9	89%	0.893	88%	0.875	S	S	*	*	P	Polyproline II helix	trans	-51.1	140.9	167.1	-79.8	-57	0	0	0	112.2
217	C	36.3	Very low	37.5	Very low	138 Å²	138	152 Å²	152	93%	0.932	88%	0.881	S	S	*	*			trans	-132.7	107.7	163.5	-143.5	0	0	0	0	108.9
218	A	39.6	Very low	37.6	Very low	94 Å²	94	154.3 Å²	154.3	78%	0.777	89%	0.891	S	S	*	*			trans	-122.5	122.1	165.4	0	0	0	0	0	107.4
219	C	46.2	Very low	37.9	Very low	212 Å²	212	150.4 Å²	150.4	100%	1.432	89%	0.888	S	S	*	*			trans	-171.8	0	152.7	-95.8	0	0	0	0	107.7

Retrieved 219 of 219 residues in 84.6 ms (Link to these results)

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