A0A060VZE2_ONCMY 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 , UniProt , Accession A0A060VZE2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene rab3ab, 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	35.9	Very low	37.9	Very low	245 Å²	245	142.5 Å²	142.5	100%	1.207	83%	0.832	S	S	*	*				0	126.7	0	-76	-139.3	-149	0	0	108.3
2	A	34.6	Very low	38.1	Very low	98 Å²	98	145.4 Å²	145.4	81%	0.81	83%	0.832	S	S	*	*			trans	43.5	103.5	168.4	0	0	0	0	0	117.4
3	S	36.7	Very low	38.8	Very low	112 Å²	112	140.9 Å²	140.9	78%	0.783	82%	0.815	S	S	*	*				44.6	103.9	60.7	-156.2	0	0	0	0	114.8
4	A	35.6	Very low	39.8	Very low	100 Å²	100	135.9 Å²	135.9	83%	0.826	79%	0.792	S	S	*	*			trans	-152.3	74.3	157	0	0	0	0	0	108.9	A6	A4-A6 PolarHBondContact O-N 3.23Å
5	T	36.8	Very low	40.9	Very low	125 Å²	125	133.7 Å²	133.7	77%	0.767	78%	0.776	S	S	*	*			trans	-67.5	102.8	155.9	38.8	0	0	0	0	107.7	T7	T5-T7 PolarHBondContact O-N 3.23Å
6	A	37	Very low	42	Very low	91 Å²	91	135.8 Å²	135.8	75%	0.752	78%	0.776	S	S	*	*			trans	-79.4	97.5	167.4	0	0	0	0	0	108.2	A4 Y8	A4-A6 PolarHBondContact O-N 3.23Å; A6-Y8 PolarHBondContact O-N 3.08Å; A6-Y8 VanDerWaalsContact O-N 3.08Å
7	T	38.7	Very low	44.4	Very low	129 Å²	129	135.5 Å²	135.5	79%	0.791	77%	0.771	S	S	*	*			trans	-57.2	107.1	167.9	-25.5	0	0	0	0	107.9	T5 G9	T5-T7 PolarHBondContact O-N 3.23Å; T7-G9 VanDerWaalsContact C-N 3.27Å; T7-G9 PolarHBondContact O-N 2.88Å
8	Y	40.5	Very low	46.7	Very low	231 Å²	231	131.8 Å²	131.8	91%	0.906	75%	0.745	S	S	*	*			trans	-64.9	95.9	165.7	-114.2	-95.1	0	0	0	106.7	A6 Q10	A6-Y8 PolarHBondContact O-N 3.08Å; A6-Y8 VanDerWaalsContact O-N 3.08Å; Y8-Q10 PolarHBondContact O-N 3.08Å
9	G	38.1	Very low	49.1	Very low	59 Å²	59	128.8 Å²	128.8	61%	0.608	73%	0.727	S	S	*	*			trans	-59.6	125.5	-178.9	0	0	0	0	0	110.6	T7 K11	T7-G9 VanDerWaalsContact C-N 3.27Å; T7-G9 PolarHBondContact O-N 2.88Å; G9-K11 PolarHBondContact O-N 3.33Å; G9-K11 VanDerWaalsContact O-N 3.08Å
10	Q	41.8	Very low	51.4	Low	185 Å²	185	126.9 Å²	126.9	86%	0.864	71%	0.709	S	S	*	*			trans	-39.6	110.4	160.9	-71.2	167.9	-21.3	0	0	110.4	Y8	Y8-Q10 PolarHBondContact O-N 3.08Å
11	K	41.2	Very low	53.4	Low	193 Å²	193	124.3 Å²	124.3	84%	0.839	69%	0.692	S	S	*	*			trans	-134.5	41.8	168.8	-144.7	-177.8	-173.7	-176.1	0	111.1	G9	G9-K11 PolarHBondContact O-N 3.33Å; G9-K11 VanDerWaalsContact O-N 3.08Å
12	E	40.1	Very low	56.2	Low	177 Å²	177	112.7 Å²	112.7	83%	0.827	64%	0.635	S	S	*	*	S	Bend	trans	-129.1	-3.1	175.1	-71.5	-167.9	153.1	0	0	113.8
13	S	47.8	Very low	59.1	Low	87 Å²	87	109.9 Å²	109.9	61%	0.608	60%	0.604	S	S	*	*	S	Bend	trans	-86.8	-19.3	-176.3	60	0	0	0	0	114.3	D15	S13-D15 VanDerWaalsContact C-N 3.34Å; S13-D15 PolarHBondContact O-N 3.45Å
14	S	52.4	Low	62	Low	71 Å²	71	104.6 Å²	104.6	50%	0.497	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.8	-13.4	-175.7	60	0	0	0	0	113.8	R69	S14-R69 VanDerWaalsContact O-CZ 3.26Å; S14-R69 PolarHBondContact O-NH1 3Å; S14-R69 PolarHBondContact O-NH2 3.08Å
15	D	56.7	Low	64.8	Low	103 Å²	103	99.8 Å²	99.8	55%	0.551	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-9.1	178.5	-82.5	-18	0	0	0	113.8	S13 R69 K71	S13-D15 VanDerWaalsContact C-N 3.34Å; S13-D15 PolarHBondContact O-N 3.45Å; D15-R69 IonicContact OD1-NH2 2.91Å; D15-K71 VanDerWaalsContact O-CE 3.22Å; D15-K71 WeakPolarHBondContact O-CE 3.44Å; D15-K71 PolarHBondContact O-NZ 2.88Å
16	Q	58.4	Low	67.7	Low	167 Å²	167	93.9 Å²	93.9	78%	0.78	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-18.3	175.9	-66.6	-156.8	41	0	0	114.1	F18	Q16-F18 WeakPolarHBondContact O-CD1 3.26Å; Q16-F18 PolarHBondContact O-N 2.84Å
17	N	81.9	Confident	70.4	Confident	130 Å²	130	89.5 Å²	89.5	70%	0.695	46%	0.455	S	S	*	.			trans	-90	83.9	-173.7	-152.9	31.2	0	0	0	111.3	R69	N17-R69 VanDerWaalsContact O-CD 3.23Å; N17-R69 WeakPolarHBondContact O-CD 3.49Å; N17-R69 PolarHBondContact O-NH1 2.76Å
18	F	87.3	Confident	73.1	Confident	69 Å²	69	83.4 Å²	83.4	30%	0.303	42%	0.418	S	S	.	.			trans	-124.8	147.5	172.1	61.5	-88.7	0	0	0	109.8	Q16 Y20 M21 K71	Q16-F18 WeakPolarHBondContact O-CD1 3.26Å; Q16-F18 PolarHBondContact O-N 2.84Å; F18-Y20 WeakPolarHBondContact CD2-O 3.4Å; F18-M21 HydrophobicContact CD2-CB 4.25Å; F18-M21 HydrophobicContact CE1-CE 4.04Å; F18-M21 HydrophobicContact CE2-CB 3.74Å; F18-M21 HydrophobicContact CE2-CE 3.82Å; F18-M21 HydrophobicContact CZ-CE 3.43Å; F18-M21 VanDerWaalsContact CZ-CE 3.43Å; F18-K71 HydrophobicContact CB-CD 4.34Å; F18-K71 HydrophobicContact CB-CG 4.03Å; F18-K71 HydrophobicContact CD1-CD 3.57Å; F18-K71 HydrophobicContact CD1-CG 4.2Å; F18-K71 HydrophobicContact CE1-CD 4.01Å; F18-K71 HydrophobicContact CG-CB 4.4Å; F18-K71 HydrophobicContact CG-CD 3.88Å; F18-K71 HydrophobicContact CG-CG 4.01Å
19	D	92	Very high	75.6	Confident	76 Å²	76	74.1 Å²	74.1	41%	0.406	38%	0.384	S	S	.	.	S	Bend	trans	-81.1	-40.7	179.7	-62.3	-96.9	0	0	0	111.6	K68 R69	D19-K68 HydrophobicContact CB-CB 4.15Å; D19-K68 HydrophobicContact CB-CD 3.75Å; D19-K68 WeakPolarHBondContact OD1-CD 3.3Å; D19-K68 IonicContact OD1-NZ 2.77Å; D19-K68 PolarHBondContact OD1-NZ 3.01Å; D19-K68 WeakPolarHBondContact OD2-CA 3.29Å; D19-R69 PolarHBondContact N-O 2.7Å; D19-R69 PolarHBondContact OD2-N 3.17Å
20	Y	93.8	Very high	78.1	Confident	89 Å²	89	73.2 Å²	73.2	35%	0.349	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	149.8	-176.3	-59.1	-72.2	0	0	0	111.7	F18 F22 K68 R69 I70 K71 M186	F18-Y20 WeakPolarHBondContact CD2-O 3.4Å; Y20-F22 HydrophobicContact CG-CE1 4.32Å; Y20-K68 HydrophobicContact CD2-CB 4.13Å; Y20-K68 HydrophobicContact CD2-CG 4.45Å; Y20-K68 HydrophobicContact CE2-CB 4.09Å; Y20-K68 HydrophobicContact CE2-CD 4.02Å; Y20-K68 HydrophobicContact CE2-CG 3.9Å; Y20-R69 PolarHBondContact N-O 2.82Å; Y20-I70 HydrophobicContact CD2-CG1 4.36Å; Y20-I70 CarbonylContact O-C 3.59Å; Y20-I70 WeakPolarHBondContact O-CA 3.39Å; Y20-K71 PolarHBondContact O-N 3.32Å; Y20-M186 HydrophobicContact CD1-CE 4.28Å; Y20-M186 HydrophobicContact CE1-CE 4.49Å
21	M	94.3	Very high	80.4	Confident	74 Å²	74	66.9 Å²	66.9	37%	0.365	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119.1	171.8	-179.4	178.7	-66.1	0	0	109.3	F18 K71 Q73	F18-M21 HydrophobicContact CD2-CB 4.25Å; F18-M21 HydrophobicContact CE1-CE 4.04Å; F18-M21 HydrophobicContact CE2-CB 3.74Å; F18-M21 HydrophobicContact CE2-CE 3.82Å; F18-M21 HydrophobicContact CZ-CE 3.43Å; F18-M21 VanDerWaalsContact CZ-CE 3.43Å; M21-K71 CarbonylContact C-O 3.6Å; M21-K71 VanDerWaalsContact CA-O 3.29Å; M21-K71 WeakPolarHBondContact CA-O 3.29Å; M21-K71 HydrophobicContact CE-CD 4.35Å; M21-K71 HydrophobicContact CG-CB 4.46Å; M21-Q73 HydrophobicContact CG-CG 4.11Å; M21-Q73 HydrophobicContact SD-CG 4.09Å; M21-Q73 PolarHBondContact SD-NE2 3.24Å; M21-Q73 VanDerWaalsContact SD-NE2 3.38Å
22	F	95.7	Very high	83	Confident	1 Å²	1	57.7 Å²	57.7	0%	0.004	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.5	178	-62.7	-10.2	0	0	0	110.3	Y20 I70 K71 L72 Q73 M95 V179 I182 M186	Y20-F22 HydrophobicContact CG-CE1 4.32Å; F22-I70 HydrophobicContact CD1-CG2 4.21Å; F22-I70 HydrophobicContact CD2-CG2 3.68Å; F22-I70 HydrophobicContact CE1-CG2 4.27Å; F22-I70 HydrophobicContact CE2-CD1 3.97Å; F22-I70 HydrophobicContact CE2-CG2 3.78Å; F22-I70 HydrophobicContact CG-CG2 3.89Å; F22-I70 HydrophobicContact CZ-CD1 4.06Å; F22-I70 HydrophobicContact CZ-CG2 4.03Å; F22-K71 PolarHBondContact N-O 2.77Å; F22-L72 HydrophobicContact CB-CD2 3.94Å; F22-L72 HydrophobicContact CD2-CD2 3.98Å; F22-L72 HydrophobicContact CG-CD2 4.34Å; F22-Q73 PolarHBondContact O-N 2.8Å; F22-M95 HydrophobicContact CB-SD 4.3Å; F22-M95 HydrophobicContact CD1-CE 3.69Å; F22-M95 HydrophobicContact CD1-SD 3.65Å; F22-M95 HydrophobicContact CE1-CE 3.9Å; F22-M95 HydrophobicContact CE1-SD 4.43Å; F22-M95 HydrophobicContact CG-SD 4.27Å; F22-V179 HydrophobicContact CD2-CG1 4.36Å; F22-V179 HydrophobicContact CD2-CG2 4.34Å; F22-V179 HydrophobicContact CE2-CG1 3.97Å; F22-I182 HydrophobicContact CD1-CG2 4.14Å; F22-I182 HydrophobicContact CD2-CB 4.31Å; F22-I182 HydrophobicContact CD2-CD1 4.24Å; F22-I182 HydrophobicContact CD2-CG2 3.89Å; F22-I182 HydrophobicContact CE1-CG2 3.98Å; F22-I182 HydrophobicContact CE2-CB 4.08Å; F22-I182 HydrophobicContact CE2-CG2 3.68Å; F22-I182 HydrophobicContact CG-CG2 4.14Å; F22-I182 HydrophobicContact CZ-CG2 3.77Å; F22-M186 HydrophobicContact CE1-CE 3.35Å; F22-M186 HydrophobicContact CE1-SD 3.83Å; F22-M186 HydrophobicContact CE2-CE 4.5Å; F22-M186 HydrophobicContact CZ-CE 3.27Å; F22-M186 HydrophobicContact CZ-SD 4.3Å
23	K	95.5	Very high	85.6	Confident	39 Å²	39	50 Å²	50	17%	0.17	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	114.4	170.7	-179	174.1	171.5	-171.7	0	109.2	L25 Y90 R92 M95 G96	K23-L25 HydrophobicContact CG-CD1 3.98Å; K23-Y90 WeakPolarHBondContact CE-O 3.37Å; K23-Y90 PolarHBondContact NZ-O 2.86Å; K23-R92 PolarHBondContact NZ-O 2.99Å; K23-M95 PolarHBondContact O-N 2.82Å; K23-G96 PolarHBondContact O-N 2.91Å
24	I	96.3	Very high	87.9	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	134.8	-179.8	-62.4	172.4	0	0	0	109	L72 Q73 I74 W75 G96 I98 L178 V179 I182	I24-L72 HydrophobicContact CD1-CD2 4.14Å; I24-Q73 PolarHBondContact N-O 2.84Å; I24-I74 CarbonylContact O-C 3.56Å; I24-I74 WeakPolarHBondContact O-CA 3.5Å; I24-W75 PolarHBondContact O-N 2.67Å; I24-G96 CarbonylContact C-O 3.58Å; I24-G96 VanDerWaalsContact CA-O 3.29Å; I24-G96 WeakPolarHBondContact CA-O 3.27Å; I24-I98 HydrophobicContact CG2-CD1 4.39Å; I24-I98 HydrophobicContact CG2-CG1 4.35Å; I24-L178 HydrophobicContact CD1-CD2 4.18Å; I24-L178 HydrophobicContact CG1-CD2 4.29Å; I24-L178 HydrophobicContact CG2-CD2 3.73Å; I24-V179 HydrophobicContact CD1-CG2 4.47Å; I24-I182 HydrophobicContact CG1-CD1 4.49Å
25	L	95.7	Very high	89.9	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	137	173.4	-82.3	64.8	0	0	0	110.2	K23 I27 W75 Y91 A94 G96 F97 I98	K23-L25 HydrophobicContact CG-CD1 3.98Å; L25-I27 HydrophobicContact CB-CG2 4.17Å; L25-W75 HydrophobicContact CD1-CB 4.15Å; L25-W75 HydrophobicContact CD1-CG 4.21Å; L25-W75 HydrophobicContact CG-CB 3.95Å; L25-W75 HydrophobicContact CG-CG 4.49Å; L25-Y91 HydrophobicContact CD2-CD1 3.52Å; L25-Y91 HydrophobicContact CD2-CE1 3.93Å; L25-A94 HydrophobicContact CD1-CB 3.62Å; L25-G96 PolarHBondContact N-O 3.48Å; L25-F97 HydrophobicContact CB-CD1 3.84Å; L25-F97 HydrophobicContact CB-CE1 3.97Å; L25-F97 HydrophobicContact CD2-CE1 3.81Å; L25-F97 HydrophobicContact CD2-CZ 4.49Å; L25-F97 HydrophobicContact CG-CE1 4.42Å; L25-F97 CarbonylContact O-C 3.32Å; L25-F97 WeakPolarHBondContact O-CA 3.25Å; L25-I98 PolarHBondContact O-N 2.81Å
26	I	96.1	Very high	91.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	121	166.1	-45.3	179.9	0	0	0	107.6	K34 L38 I74 W75 T77 I98 M100 F175	I26-K34 HydrophobicContact CB-CB 4.37Å; I26-K34 HydrophobicContact CG2-CB 3.69Å; I26-K34 HydrophobicContact CG2-CD 4.02Å; I26-K34 HydrophobicContact CG2-CG 3.74Å; I26-L38 HydrophobicContact CD1-CB 3.93Å; I26-I74 HydrophobicContact CD1-CG2 3.96Å; I26-I74 HydrophobicContact CG1-CG2 3.99Å; I26-W75 PolarHBondContact N-O 3Å; I26-T77 PolarHBondContact O-OG1 3.46Å; I26-I98 WeakPolarHBondContact CA-O 3.19Å; I26-I98 HydrophobicContact CG1-CB 4.39Å; I26-I98 HydrophobicContact CG1-CD1 4.43Å; I26-I98 HydrophobicContact CG2-CB 4.24Å; I26-I98 HydrophobicContact CG2-CG2 4.22Å; I26-M100 HydrophobicContact CG2-CE 4.25Å; I26-F175 HydrophobicContact CD1-CE1 4.49Å; I26-F175 HydrophobicContact CD1-CZ 3.95Å
27	I	94.6	Very high	93.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	161.5	-176.8	67.5	161.9	0	0	0	111.5	L25 K34 T77 T87 Y91 F97 I98 L99 M100 W115 I119	L25-I27 HydrophobicContact CB-CG2 4.17Å; I27-K34 VanDerWaalsContact C-CD 3.46Å; I27-T77 HydrophobicContact CG2-CG2 4.38Å; I27-T87 HydrophobicContact CG2-CG2 4.45Å; I27-Y91 HydrophobicContact CG2-CE1 4.1Å; I27-F97 HydrophobicContact CD1-CD1 4.23Å; I27-F97 HydrophobicContact CG1-CD1 4.49Å; I27-F97 HydrophobicContact CG2-CD1 4.35Å; I27-I98 PolarHBondContact N-O 3.47Å; I27-L99 HydrophobicContact CD1-CD1 4.02Å; I27-L99 HydrophobicContact CG1-CB 4.32Å; I27-L99 HydrophobicContact CG1-CD1 3.88Å; I27-M100 PolarHBondContact O-N 3.3Å; I27-W115 HydrophobicContact CD1-CB 4.23Å; I27-W115 HydrophobicContact CD1-CE3 4.11Å; I27-I119 HydrophobicContact CD1-CD1 3.39Å; I27-I119 HydrophobicContact CD1-CG1 3.59Å; I27-I119 HydrophobicContact CG1-CD1 4.44Å
28	G	94.5	Very high	94.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.148	C	C	.	.			trans	141.8	171.4	-175.5	0	0	0	0	0	111.3	K34 G79 M100	G28-K34 PolarHBondContact O-NZ 3.47Å; G28-G79 WeakPolarHBondContact O-CA 3.18Å; G28-M100 WeakPolarHBondContact CA-O 3.01Å
29	N	92.6	Very high	94.5	Very high	37 Å²	37	27.3 Å²	27.3	20%	0.198	15%	0.148	C	C	.	.	S	Bend	trans	-58.1	167.1	-177.9	-77.8	17.5	0	0	0	112.8	V32 K34 G79 A111 W115	N29-V32 HydrophobicContact CB-CG1 3.98Å; N29-V32 VanDerWaalsContact O-CG2 3.3Å; N29-V32 WeakPolarHBondContact O-CG2 3.49Å; N29-K34 PolarHBondContact O-NZ 2.74Å; N29-G79 CarbonylContact C-O 3.52Å; N29-A111 WeakPolarHBondContact OD1-CB 3.41Å; N29-W115 PolarHBondContact OD1-NE1 3.45Å
30	S	90.6	Very high	94.8	Very high	40 Å²	40	25.5 Å²	25.5	28%	0.28	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	155.6	170.3	-163.8	0	0	0	0	110.2	V32 G79	S30-V32 PolarHBondContact O-N 2.64Å; S30-G79 PolarHBondContact N-O 3.46Å
31	S	91.8	Very high	94.9	Very high	51 Å²	51	22.1 Å²	22.1	36%	0.357	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	4.2	176	66.5	0	0	0	0	118.9	G33 K135	S31-G33 PolarHBondContact O-N 3.17Å; S31-K135 WeakPolarHBondContact O-CE 3.42Å; S31-K135 PolarHBondContact O-NZ 2.88Å
32	V	95.3	Very high	94.8	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	11%	0.113	C	C	.	.	S	Bend	trans	-69.5	-13.8	175.1	-54.4	0	0	0	0	114.1	N29 S30 K34 M100 D102 N134	N29-V32 HydrophobicContact CB-CG1 3.98Å; N29-V32 VanDerWaalsContact O-CG2 3.3Å; N29-V32 WeakPolarHBondContact O-CG2 3.49Å; S30-V32 PolarHBondContact O-N 2.64Å; V32-K34 HydrophobicContact CG2-CD 4.26Å; V32-K34 HydrophobicContact CG2-CG 3.63Å; V32-M100 HydrophobicContact CB-CG 4.37Å; V32-M100 HydrophobicContact CG2-CB 4.1Å; V32-M100 HydrophobicContact CG2-CG 3.95Å; V32-M100 HydrophobicContact CG2-SD 4.14Å; V32-D102 HydrophobicContact CB-CB 4.18Å; V32-D102 HydrophobicContact CG1-CB 4.12Å; V32-N134 PolarHBondContact O-ND2 3.22Å
33	G	95.1	Very high	94.6	Very high	15 Å²	15	23.4 Å²	23.4	16%	0.155	13%	0.133	C	C	.	.	S	Bend	trans	102.7	18.1	173.1	0	0	0	0	0	116.4	S31 T35 S36 F37	S31-G33 PolarHBondContact O-N 3.17Å; G33-T35 PolarHBondContact O-N 3.34Å; G33-S36 PolarHBondContact O-N 2.95Å; G33-F37 VanDerWaalsContact O-CB 3.32Å; G33-F37 WeakPolarHBondContact O-CB 3.43Å; G33-F37 PolarHBondContact O-N 2.96Å
34	K	95.4	Very high	94.5	Very high	9 Å²	9	26.5 Å²	26.5	4%	0.039	15%	0.152	C	C	.	.	H	α-helix	trans	-51.2	-51.2	179.3	-56.2	-172.5	-62.8	-74.2	0	113.6	I26 I27 G28 N29 V32 F37 L38 D76 T77 G79 M100	I26-K34 HydrophobicContact CB-CB 4.37Å; I26-K34 HydrophobicContact CG2-CB 3.69Å; I26-K34 HydrophobicContact CG2-CD 4.02Å; I26-K34 HydrophobicContact CG2-CG 3.74Å; I27-K34 VanDerWaalsContact C-CD 3.46Å; G28-K34 PolarHBondContact O-NZ 3.47Å; N29-K34 PolarHBondContact O-NZ 2.74Å; V32-K34 HydrophobicContact CG2-CD 4.26Å; V32-K34 HydrophobicContact CG2-CG 3.63Å; K34-F37 WeakPolarHBondContact O-CB 3.41Å; K34-F37 PolarHBondContact O-N 3.38Å; K34-L38 PolarHBondContact O-N 2.85Å; K34-D76 VanDerWaalsContact CB-OD1 3.28Å; K34-D76 WeakPolarHBondContact CB-OD1 3.23Å; K34-T77 WeakPolarHBondContact CE-O 3.21Å; K34-G79 VanDerWaalsContact NZ-CA 3.31Å; K34-M100 HydrophobicContact CG-CB 4.43Å; K34-M100 HydrophobicContact CG-SD 4.14Å
35	T	94.3	Very high	94.2	Very high	34 Å²	34	28.7 Å²	28.7	21%	0.209	17%	0.167	C	C	.	.	H	α-helix	trans	-62.5	-47.1	179.3	-49.2	0	0	0	0	111.9	G33 F37 L38 F39 T53 D76	G33-T35 PolarHBondContact O-N 3.34Å; T35-F37 VanDerWaalsContact C-N 3.27Å; T35-F37 PolarHBondContact O-N 2.87Å; T35-L38 PolarHBondContact O-N 2.88Å; T35-F39 HydrophobicContact CG2-CD2 3.78Å; T35-F39 HydrophobicContact CG2-CE2 3.47Å; T35-F39 VanDerWaalsContact CG2-CE2 3.47Å; T35-F39 HydrophobicContact CG2-CZ 4.48Å; T35-F39 VanDerWaalsContact O-CD2 3.31Å; T35-F39 WeakPolarHBondContact O-CD2 3.22Å; T35-F39 PolarHBondContact O-N 3.38Å; T35-T53 PolarHBondContact OG1-OG1 2.67Å; T35-D76 WeakPolarHBondContact CA-OD2 3.43Å; T35-D76 VanDerWaalsContact CB-OD2 3.25Å; T35-D76 WeakPolarHBondContact CB-OD2 3.12Å; T35-D76 WeakPolarHBondContact CG2-OD2 3.38Å; T35-D76 PolarHBondContact N-OD1 3.13Å; T35-D76 PolarHBondContact OG1-OD1 2.99Å; T35-D76 PolarHBondContact OG1-OD2 3.36Å
36	S	95.3	Very high	94.1	Very high	35 Å²	35	31.9 Å²	31.9	25%	0.245	18%	0.181	C	C	.	.	H	α-helix	trans	-62.7	-36	176.1	-53	0	0	0	0	112	G33 F39 R40	G33-S36 PolarHBondContact O-N 2.95Å; S36-F39 PolarHBondContact O-N 2.7Å; S36-R40 VanDerWaalsContact O-CB 3.26Å; S36-R40 WeakPolarHBondContact O-CB 3.29Å; S36-R40 PolarHBondContact O-N 2.85Å
37	F	96.8	Very high	93.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.8	-42.7	176.7	-160.5	-96.3	0	0	0	111.7	G33 K34 T35 R40 Y41 M100 V132 A163 A165 V171 T174 F175	G33-F37 VanDerWaalsContact O-CB 3.32Å; G33-F37 WeakPolarHBondContact O-CB 3.43Å; G33-F37 PolarHBondContact O-N 2.96Å; K34-F37 WeakPolarHBondContact O-CB 3.41Å; K34-F37 PolarHBondContact O-N 3.38Å; T35-F37 VanDerWaalsContact C-N 3.27Å; T35-F37 PolarHBondContact O-N 2.87Å; F37-R40 PolarHBondContact O-N 3.21Å; F37-Y41 WeakPolarHBondContact O-CB 3.41Å; F37-Y41 PolarHBondContact O-N 3.47Å; F37-M100 HydrophobicContact CB-CE 3.7Å; F37-M100 HydrophobicContact CB-SD 4.48Å; F37-M100 HydrophobicContact CD1-CE 3.7Å; F37-M100 HydrophobicContact CD2-CE 3.7Å; F37-M100 HydrophobicContact CE1-CE 4.18Å; F37-M100 HydrophobicContact CE2-CE 4.18Å; F37-M100 HydrophobicContact CG-CE 3.43Å; F37-M100 VanDerWaalsContact CG-CE 3.43Å; F37-M100 HydrophobicContact CZ-CE 4.41Å; F37-V132 HydrophobicContact CE2-CG1 4.46Å; F37-V132 HydrophobicContact CZ-CG1 4.46Å; F37-A163 HydrophobicContact CE2-CB 3.62Å; F37-A163 HydrophobicContact CZ-CB 4.16Å; F37-A165 HydrophobicContact CB-CB 4.34Å; F37-A165 HydrophobicContact CD2-CB 4.17Å; F37-V171 HydrophobicContact CD1-CG1 4.3Å; F37-V171 HydrophobicContact CD2-CG1 4.33Å; F37-V171 HydrophobicContact CD2-CG2 4.06Å; F37-V171 HydrophobicContact CE1-CG1 4.11Å; F37-V171 HydrophobicContact CE2-CB 4.14Å; F37-V171 HydrophobicContact CE2-CG1 4.13Å; F37-V171 HydrophobicContact CE2-CG2 3.69Å; F37-V171 HydrophobicContact CG-CG1 4.41Å; F37-V171 HydrophobicContact CZ-CB 4.17Å; F37-V171 HydrophobicContact CZ-CG1 4.02Å; F37-V171 HydrophobicContact CZ-CG2 4.24Å; F37-T174 HydrophobicContact CE1-CG2 4.21Å; F37-T174 HydrophobicContact CZ-CG2 4.24Å; F37-F175 AromaticContact CD1-CE2 3.57Å; F37-F175 HydrophobicContact CD1-CE2 3.57Å; F37-F175 AromaticContact CD1-CZ 3.99Å; F37-F175 HydrophobicContact CD1-CZ 3.99Å; F37-F175 HydrophobicContact CE1-CD2 4.08Å; F37-F175 AromaticContact CE1-CE2 3.41Å; F37-F175 HydrophobicContact CE1-CE2 3.41Å; F37-F175 VanDerWaalsContact CE1-CE2 3.41Å; F37-F175 HydrophobicContact CE1-CZ 4.1Å
38	L	95.8	Very high	92.9	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.016	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-48.7	172.9	176.5	56.9	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 2.85Å; T35-L38 PolarHBondContact O-N 2.88Å; L38-R40 VanDerWaalsContact C-N 3.33Å; L38-R40 PolarHBondContact O-N 2.63Å; L38-Y41 PolarHBondContact O-N 2.97Å; L38-A42 HydrophobicContact CD1-CB 4.46Å; L38-A42 VanDerWaalsContact O-CB 3.27Å; L38-A42 WeakPolarHBondContact O-CB 3.5Å; L38-A42 PolarHBondContact O-N 3.46Å; L38-K59 HydrophobicContact CD1-CB 4.24Å; L38-K59 HydrophobicContact CD1-CD 4.47Å; L38-K59 HydrophobicContact CD2-CB 4.28Å; L38-K59 HydrophobicContact CD2-CD 4.46Å; L38-K59 HydrophobicContact CD2-CG 4.34Å; L38-K59 HydrophobicContact CG-CD 4.27Å; L38-I74 HydrophobicContact CD1-CB 3.86Å; L38-I74 HydrophobicContact CD1-CD1 4.05Å; L38-I74 HydrophobicContact CD1-CG2 3.62Å; L38-D76 HydrophobicContact CD2-CB 3.69Å
39	F	94.2	Very high	92.2	Very high	69 Å²	69	44.9 Å²	44.9	30%	0.303	27%	0.27	S	S	.	.	H	α-helix	trans	-64	-38.7	179.3	-77.6	-51	0	0	0	112.5	T35 S36 Y41 A42 D43 D44 S45 K59	T35-F39 HydrophobicContact CG2-CD2 3.78Å; T35-F39 HydrophobicContact CG2-CE2 3.47Å; T35-F39 VanDerWaalsContact CG2-CE2 3.47Å; T35-F39 HydrophobicContact CG2-CZ 4.48Å; T35-F39 VanDerWaalsContact O-CD2 3.31Å; T35-F39 WeakPolarHBondContact O-CD2 3.22Å; T35-F39 PolarHBondContact O-N 3.38Å; S36-F39 PolarHBondContact O-N 2.7Å; F39-Y41 VanDerWaalsContact C-N 3.35Å; F39-Y41 PolarHBondContact O-N 2.84Å; F39-A42 PolarHBondContact O-N 3.38Å; F39-D43 WeakPolarHBondContact CD1-OD2 3.36Å; F39-D43 WeakPolarHBondContact O-CA 3.32Å; F39-D43 PolarHBondContact O-N 3.13Å; F39-D44 PolarHBondContact O-N 3.24Å; F39-S45 CarbonylContact C-O 3.52Å; F39-S45 PolarHBondContact O-N 3.4Å; F39-K59 VanDerWaalsContact CE1-CE 3.41Å
40	R	96.3	Very high	91.3	Very high	38 Å²	38	49.4 Å²	49.4	14%	0.143	29%	0.288	C	S	.	.	H	α-helix	trans	-60.9	-45.8	173.7	177.2	56.7	74.6	-171.7	6.1	111	S36 F37 L38 D44 S45 A165 K166 N168 V171	S36-R40 VanDerWaalsContact O-CB 3.26Å; S36-R40 WeakPolarHBondContact O-CB 3.29Å; S36-R40 PolarHBondContact O-N 2.85Å; F37-R40 PolarHBondContact O-N 3.21Å; L38-R40 VanDerWaalsContact C-N 3.33Å; L38-R40 PolarHBondContact O-N 2.63Å; R40-D44 WeakPolarHBondContact CD-OD1 3.35Å; R40-D44 IonicContact CZ-OD1 2.76Å; R40-D44 VanDerWaalsContact NH1-C 3.33Å; R40-D44 PolarHBondContact NH1-O 2.98Å; R40-D44 IonicContact NH1-OD1 2.79Å; R40-D44 PolarHBondContact NH1-OD1 3.44Å; R40-D44 VanDerWaalsContact O-CA 3.23Å; R40-D44 WeakPolarHBondContact O-CA 3.24Å; R40-D44 PolarHBondContact O-N 3.02Å; R40-D44 VanDerWaalsContact O-N 3.15Å; R40-S45 VanDerWaalsContact CA-O 3.31Å; R40-S45 WeakPolarHBondContact CA-O 3.46Å; R40-S45 PolarHBondContact N-O 2.94Å; R40-A165 HydrophobicContact CB-CB 4.47Å; R40-A165 WeakPolarHBondContact CG-O 3.43Å; R40-A165 PolarHBondContact NE-O 3.24Å; R40-K166 PolarHBondContact NH2-O 2.66Å; R40-N168 WeakPolarHBondContact CD-OD1 3.42Å; R40-N168 HydrophobicContact CG-CB 4.35Å; R40-N168 WeakPolarHBondContact CG-OD1 3.38Å; R40-V171 HydrophobicContact CB-CG1 4.25Å; R40-V171 HydrophobicContact CG-CB 4.19Å; R40-V171 HydrophobicContact CG-CG1 3.93Å; R40-V171 HydrophobicContact CG-CG2 3.89Å
41	Y	96.4	Very high	90.7	Very high	19 Å²	19	53 Å²	53	8%	0.075	31%	0.308	C	S	.	.	H	α-helix	trans	-67.9	-44.4	178.4	177.1	-114.7	0	0	0	113.4	F37 L38 F39 K61 L72 I74 F175	F37-Y41 WeakPolarHBondContact O-CB 3.41Å; F37-Y41 PolarHBondContact O-N 3.47Å; L38-Y41 PolarHBondContact O-N 2.97Å; F39-Y41 VanDerWaalsContact C-N 3.35Å; F39-Y41 PolarHBondContact O-N 2.84Å; Y41-K61 HydrophobicContact CD1-CD 4.02Å; Y41-K61 HydrophobicContact CE1-CB 4.48Å; Y41-K61 HydrophobicContact CE1-CD 3.42Å; Y41-K61 VanDerWaalsContact CE1-CD 3.42Å; Y41-K61 HydrophobicContact CE2-CD 4.42Å; Y41-K61 PolarHBondContact O-NZ 3.07Å; Y41-L72 HydrophobicContact CE1-CD1 4.3Å; Y41-L72 WeakPolarHBondContact OH-CD1 3.44Å; Y41-I74 HydrophobicContact CD1-CD1 3.75Å; Y41-I74 HydrophobicContact CE1-CD1 3.59Å; Y41-F175 AromaticContact CD1-CD1 3.96Å; Y41-F175 HydrophobicContact CD1-CD1 3.96Å; Y41-F175 AromaticContact CD1-CD2 3.68Å; Y41-F175 HydrophobicContact CD1-CD2 3.68Å; Y41-F175 HydrophobicContact CD1-CE1 4.03Å; Y41-F175 AromaticContact CD1-CE2 3.77Å; Y41-F175 HydrophobicContact CD1-CE2 3.77Å; Y41-F175 AromaticContact CD1-CG 3.79Å; Y41-F175 HydrophobicContact CD1-CG 3.79Å; Y41-F175 AromaticContact CD1-CZ 3.94Å; Y41-F175 HydrophobicContact CD1-CZ 3.94Å; Y41-F175 HydrophobicContact CD2-CB 4.08Å; Y41-F175 AromaticContact CD2-CD2 3.42Å; Y41-F175 HydrophobicContact CD2-CD2 3.42Å; Y41-F175 VanDerWaalsContact CD2-CD2 3.42Å; Y41-F175 HydrophobicContact CD2-CE2 4.04Å; Y41-F175 AromaticContact CD2-CG 3.88Å; Y41-F175 HydrophobicContact CD2-CG 3.88Å; Y41-F175 HydrophobicContact CE1-CB 4.08Å; Y41-F175 AromaticContact CE1-CD1 3.87Å; Y41-F175 HydrophobicContact CE1-CD1 3.87Å; Y41-F175 HydrophobicContact CE1-CD2 4.1Å; Y41-F175 HydrophobicContact CE1-CE1 4.33Å; Y41-F175 AromaticContact CE1-CG 3.75Å; Y41-F175 HydrophobicContact CE1-CG 3.75Å; Y41-F175 HydrophobicContact CE2-CB 3.61Å; Y41-F175 AromaticContact CE2-CD2 3.88Å; Y41-F175 HydrophobicContact CE2-CD2 3.88Å; Y41-F175 AromaticContact CE2-CG 3.86Å; Y41-F175 HydrophobicContact CE2-CG 3.86Å; Y41-F175 HydrophobicContact CG-CD1 4.43Å; Y41-F175 AromaticContact CG-CD2 3.3Å; Y41-F175 HydrophobicContact CG-CD2 3.3Å; Y41-F175 AromaticContact CG-CE2 3.45Å; Y41-F175 HydrophobicContact CG-CE2 3.45Å; Y41-F175 VanDerWaalsContact CG-CE2 3.45Å; Y41-F175 AromaticContact CG-CG 3.84Å; Y41-F175 HydrophobicContact CG-CG 3.84Å; Y41-F175 HydrophobicContact CG-CZ 4.1Å; Y41-F175 AromaticContact CZ-CG 3.78Å
42	A	93.1	Very high	90.1	Very high	21 Å²	21	53.7 Å²	53.7	17%	0.174	31%	0.313	C	S	.	.	H	α-helix	trans	-78	-46.4	-171.4	0	0	0	0	0	112.2	L38 F39 K59 K61	L38-A42 HydrophobicContact CD1-CB 4.46Å; L38-A42 VanDerWaalsContact O-CB 3.27Å; L38-A42 WeakPolarHBondContact O-CB 3.5Å; L38-A42 PolarHBondContact O-N 3.46Å; F39-A42 PolarHBondContact O-N 3.38Å; A42-K59 HydrophobicContact CB-CD 3.41Å; A42-K59 VanDerWaalsContact CB-CD 3.41Å; A42-K61 PolarHBondContact O-NZ 3.48Å; A42-K61 VanDerWaalsContact O-NZ 3.08Å
43	D	91.9	Very high	89.2	Confident	80 Å²	80	55.7 Å²	55.7	43%	0.428	33%	0.325	S	S	.	.	H	α-helix	trans	-120	1.5	-165.5	-54.4	-17.3	0	0	0	112.9	F39 S45 K59	F39-D43 WeakPolarHBondContact CD1-OD2 3.36Å; F39-D43 WeakPolarHBondContact O-CA 3.32Å; F39-D43 PolarHBondContact O-N 3.13Å; D43-S45 PolarHBondContact O-N 3.07Å; D43-K59 IonicContact OD1-NZ 3.57Å; D43-K59 PolarHBondContact OD1-NZ 2.69Å; D43-K59 VanDerWaalsContact OD2-CE 3.29Å; D43-K59 WeakPolarHBondContact OD2-CE 3.27Å; D43-K59 IonicContact OD2-NZ 3.56Å; D43-K59 PolarHBondContact OD2-NZ 3.19Å
44	D	92.5	Very high	88.3	Confident	105 Å²	105	60.8 Å²	60.8	56%	0.561	35%	0.353	S	S	*	.	S	Bend	trans	50	39.3	-172.3	-162.9	21.2	0	0	0	113.4	F39 R40	F39-D44 PolarHBondContact O-N 3.24Å; R40-D44 WeakPolarHBondContact CD-OD1 3.35Å; R40-D44 IonicContact CZ-OD1 2.76Å; R40-D44 VanDerWaalsContact NH1-C 3.33Å; R40-D44 PolarHBondContact NH1-O 2.98Å; R40-D44 IonicContact NH1-OD1 2.79Å; R40-D44 PolarHBondContact NH1-OD1 3.44Å; R40-D44 VanDerWaalsContact O-CA 3.23Å; R40-D44 WeakPolarHBondContact O-CA 3.24Å; R40-D44 PolarHBondContact O-N 3.02Å; R40-D44 VanDerWaalsContact O-N 3.15Å
45	S	91	Very high	87.3	Confident	46 Å²	46	61.5 Å²	61.5	32%	0.322	36%	0.363	S	S	.	.			trans	-121.3	149.1	-177.3	68.3	0	0	0	0	111.9	F39 R40 D43	F39-S45 CarbonylContact C-O 3.52Å; F39-S45 PolarHBondContact O-N 3.4Å; R40-S45 VanDerWaalsContact CA-O 3.31Å; R40-S45 WeakPolarHBondContact CA-O 3.46Å; R40-S45 PolarHBondContact N-O 2.94Å; D43-S45 PolarHBondContact O-N 3.07Å
46	F	91.7	Very high	86.7	Confident	66 Å²	66	61.9 Å²	61.9	29%	0.289	36%	0.363	S	S	.	.			trans	-142.6	132.8	173.5	176.6	-94.4	0	0	0	110	P48 A165 K166	F46-P48 HydrophobicContact CD1-CG 4.4Å; F46-P48 HydrophobicContact CE1-CB 4.22Å; F46-P48 HydrophobicContact CE1-CG 3.96Å; F46-A165 HydrophobicContact CD2-CB 4.31Å; F46-A165 HydrophobicContact CE2-CB 4.43Å; F46-K166 HydrophobicContact CD1-CB 4.41Å; F46-K166 HydrophobicContact CD1-CG 4.18Å; F46-K166 HydrophobicContact CD2-CB 4.28Å; F46-K166 HydrophobicContact CE1-CB 4.02Å; F46-K166 HydrophobicContact CE1-CG 3.75Å; F46-K166 HydrophobicContact CE2-CB 3.88Å; F46-K166 HydrophobicContact CZ-CB 3.74Å; F46-K166 HydrophobicContact CZ-CG 3.94Å
47	T	87.1	Confident	86.2	Confident	93 Å²	93	63.6 Å²	63.6	57%	0.571	37%	0.369	S	S	*	.			trans	-119	123.3	175	-57.7	0	0	0	0	108.4	A49	T47-A49 HydrophobicContact CG2-CB 3.86Å; T47-A49 PolarHBondContact O-N 3.47Å
48	P	79.4	Confident	85.7	Confident	114 Å²	114	69 Å²	69	74%	0.74	39%	0.393	S	S	*	.			trans	-67.4	-22.5	178.4	-18.2	29.3	0	0	0	113.6	F46 F50	F46-P48 HydrophobicContact CD1-CG 4.4Å; F46-P48 HydrophobicContact CE1-CB 4.22Å; F46-P48 HydrophobicContact CE1-CG 3.96Å; P48-F50 PolarHBondContact O-N 3.23Å
49	A	79.8	Confident	85.6	Confident	67 Å²	67	71.2 Å²	71.2	55%	0.554	40%	0.403	S	S	*	.	S	Bend	trans	-63.8	118.5	-179.3	0	0	0	0	0	110.4	T47 V51	T47-A49 HydrophobicContact CG2-CB 3.86Å; T47-A49 PolarHBondContact O-N 3.47Å; A49-V51 PolarHBondContact O-N 3Å
50	F	73.2	Confident	85.6	Confident	132 Å²	132	71.5 Å²	71.5	58%	0.579	41%	0.41	S	S	*	.			trans	-74.7	110.3	171.6	179.6	-106.5	0	0	0	109.5	P48 S52	P48-F50 PolarHBondContact O-N 3.23Å; F50-S52 WeakPolarHBondContact CE1-OG 3.48Å
51	V	78	Confident	85.5	Confident	115 Å²	115	72.7 Å²	72.7	70%	0.697	42%	0.416	S	S	*	.			trans	-114.8	119.3	169.6	-177.2	0	0	0	0	107.3	A49 T53	A49-V51 PolarHBondContact O-N 3Å; V51-T53 PolarHBondContact O-N 3.26Å
52	S	80.1	Confident	85.4	Confident	66 Å²	66	74.1 Å²	74.1	46%	0.462	43%	0.427	S	S	.	.			trans	-61.4	122.6	176.9	-65.9	0	0	0	0	110.4	F50 V54	F50-S52 WeakPolarHBondContact CE1-OG 3.48Å; S52-V54 PolarHBondContact O-N 3.2Å
53	T	76.2	Confident	85.4	Confident	43 Å²	43	74 Å²	74	26%	0.264	42%	0.423	S	S	.	.			trans	-66.6	120.1	174.7	-44.4	0	0	0	0	109.6	T35 V51 A78	T35-T53 PolarHBondContact OG1-OG1 2.67Å; V51-T53 PolarHBondContact O-N 3.26Å; T53-A78 WeakPolarHBondContact O-CB 3.23Å
54	V	75.2	Confident	85.4	Confident	122 Å²	122	77.2 Å²	77.2	74%	0.739	43%	0.43	S	S	*	.			trans	-95.6	115.1	174.6	-178.6	0	0	0	0	107.9	S52	S52-V54 PolarHBondContact O-N 3.2Å
55	G	74.6	Confident	85.3	Confident	24 Å²	24	75.1 Å²	75.1	25%	0.247	41%	0.414	C	S	.	.	S	Bend	trans	79.6	-139.7	-180	0	0	0	0	0	113.4	A78	G55-A78 WeakPolarHBondContact O-CB 3.48Å; G55-A78 PolarHBondContact O-N 3.28Å
56	I	81.7	Confident	85	Confident	41 Å²	41	79.6 Å²	79.6	21%	0.21	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	130.4	-174.4	-68.4	169.5	0	0	0	107.6	W75 D76 T77 I86 Y90	I56-W75 HydrophobicContact CG2-CE3 3.62Å; I56-W75 HydrophobicContact CG2-CZ3 4.22Å; I56-D76 WeakPolarHBondContact CA-O 3.46Å; I56-D76 WeakPolarHBondContact CG2-O 3.44Å; I56-T77 HydrophobicContact CG1-CG2 4.42Å; I56-I86 HydrophobicContact CD1-CG2 4.15Å; I56-Y90 HydrophobicContact CD1-CD1 4.4Å; I56-Y90 HydrophobicContact CD1-CD2 3.24Å; I56-Y90 HydrophobicContact CD1-CE1 4.34Å; I56-Y90 HydrophobicContact CD1-CE2 3.19Å; I56-Y90 HydrophobicContact CD1-CG 3.89Å
57	D	85.2	Confident	84.8	Confident	71 Å²	71	84.4 Å²	84.4	38%	0.38	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	157.1	174.1	-164.1	10.1	0	0	0	109.6	D76	D57-D76 PolarHBondContact N-O 3.47Å; D57-D76 PolarHBondContact O-N 2.83Å
58	F	86.9	Confident	85	Confident	115 Å²	115	83.9 Å²	83.9	50%	0.504	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	141.2	177.7	84	-82.7	0	0	0	111.8	V60 I74 W75	F58-V60 HydrophobicContact CD2-CG2 4.23Å; F58-V60 HydrophobicContact CE2-CG2 4.08Å; F58-I74 CarbonylContact C-O 3.5Å; F58-I74 WeakPolarHBondContact CA-O 3.27Å; F58-W75 HydrophobicContact CB-CD2 4.12Å; F58-W75 HydrophobicContact CB-CE3 3.98Å; F58-W75 HydrophobicContact CB-CZ3 4.27Å
59	K	92.5	Very high	85.7	Confident	49 Å²	49	80.2 Å²	80.2	21%	0.213	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	148.3	169.5	-82.9	-168.6	176.2	-101.2	0	111.2	L38 F39 A42 D43 I74	L38-K59 HydrophobicContact CD1-CB 4.24Å; L38-K59 HydrophobicContact CD1-CD 4.47Å; L38-K59 HydrophobicContact CD2-CB 4.28Å; L38-K59 HydrophobicContact CD2-CD 4.46Å; L38-K59 HydrophobicContact CD2-CG 4.34Å; L38-K59 HydrophobicContact CG-CD 4.27Å; F39-K59 VanDerWaalsContact CE1-CE 3.41Å; A42-K59 HydrophobicContact CB-CD 3.41Å; A42-K59 VanDerWaalsContact CB-CD 3.41Å; D43-K59 IonicContact OD1-NZ 3.57Å; D43-K59 PolarHBondContact OD1-NZ 2.69Å; D43-K59 VanDerWaalsContact OD2-CE 3.29Å; D43-K59 WeakPolarHBondContact OD2-CE 3.27Å; D43-K59 IonicContact OD2-NZ 3.56Å; D43-K59 PolarHBondContact OD2-NZ 3.19Å; K59-I74 PolarHBondContact N-O 3.34Å; K59-I74 PolarHBondContact O-N 3.38Å
60	V	94.1	Very high	86.5	Confident	74 Å²	74	77 Å²	77	45%	0.448	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.7	171.6	-177.4	0	0	0	0	108.8	F58 K71 L72 Q73	F58-V60 HydrophobicContact CD2-CG2 4.23Å; F58-V60 HydrophobicContact CE2-CG2 4.08Å; V60-K71 HydrophobicContact CG1-CD 4.38Å; V60-L72 VanDerWaalsContact CA-O 3.27Å; V60-L72 WeakPolarHBondContact CA-O 3.32Å; V60-Q73 HydrophobicContact CG2-CG 4.37Å
61	K	93.9	Very high	87.6	Confident	63 Å²	63	72.3 Å²	72.3	27%	0.274	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.4	171.8	-165.6	179	-173.9	114.1	0	109.1	Y41 A42 I63 L72	Y41-K61 HydrophobicContact CD1-CD 4.02Å; Y41-K61 HydrophobicContact CE1-CB 4.48Å; Y41-K61 HydrophobicContact CE1-CD 3.42Å; Y41-K61 VanDerWaalsContact CE1-CD 3.42Å; Y41-K61 HydrophobicContact CE2-CD 4.42Å; Y41-K61 PolarHBondContact O-NZ 3.07Å; A42-K61 PolarHBondContact O-NZ 3.48Å; A42-K61 VanDerWaalsContact O-NZ 3.08Å; K61-I63 HydrophobicContact CG-CG2 4.49Å; K61-L72 PolarHBondContact N-O 2.96Å; K61-L72 WeakPolarHBondContact O-CB 3.21Å; K61-L72 PolarHBondContact O-N 3.01Å
62	T	94.6	Very high	88.4	Confident	49 Å²	49	66.9 Å²	66.9	30%	0.301	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.5	175.3	-54.5	0	0	0	0	109.5	R69 I70 K71	T62-R69 HydrophobicContact CG2-CG 3.41Å; T62-R69 VanDerWaalsContact CG2-CG 3.41Å; T62-R69 VanDerWaalsContact CG2-NE 3.35Å; T62-I70 WeakPolarHBondContact CA-O 3.33Å; T62-K71 HydrophobicContact CG2-CG 4.44Å
63	I	94.6	Very high	89.2	Confident	19 Å²	19	66.2 Å²	66.2	10%	0.097	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	165	176.9	65.5	166.2	0	0	0	110.1	K61 R65 I70 L72 V179	K61-I63 HydrophobicContact CG-CG2 4.49Å; I63-R65 HydrophobicContact CD1-CG 4.13Å; I63-I70 HydrophobicContact CG1-CB 4Å; I63-I70 PolarHBondContact N-O 3.16Å; I63-I70 PolarHBondContact O-N 3.22Å; I63-L72 HydrophobicContact CD1-CD1 3.9Å; I63-L72 HydrophobicContact CD1-CD2 4.2Å; I63-L72 HydrophobicContact CD1-CG 4.21Å; I63-L72 HydrophobicContact CG1-CD1 4.25Å; I63-L72 HydrophobicContact CG1-CD2 4.43Å; I63-L72 HydrophobicContact CG1-CG 4.2Å; I63-L72 HydrophobicContact CG2-CD1 4.18Å; I63-V179 HydrophobicContact CD1-CB 4.28Å; I63-V179 HydrophobicContact CD1-CG1 3.76Å; I63-V179 HydrophobicContact CD1-CG2 3.84Å
64	Y	91.9	Very high	90.1	Very high	148 Å²	148	64.1 Å²	64.1	58%	0.58	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.2	130.7	173.6	-70.3	-94	0	0	0	109.8	K68 R69	Y64-K68 WeakPolarHBondContact CA-O 3.43Å; Y64-R69 HydrophobicContact CD1-CB 4.17Å; Y64-R69 HydrophobicContact CD1-CG 4.35Å; Y64-R69 HydrophobicContact CE1-CB 3.81Å; Y64-R69 HydrophobicContact CE1-CG 3.8Å; Y64-R69 HydrophobicContact CE2-CG 4.41Å; Y64-R69 PolarHBondContact OH-NE 3.15Å
65	R	88.9	Confident	91.1	Very high	61 Å²	61	60.7 Å²	60.7	23%	0.23	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	129.5	176.8	-75.8	-66.3	179.3	-94.7	13.1	109.5	I63 D67 K68 I70 E176 V179 D180	I63-R65 HydrophobicContact CD1-CG 4.13Å; R65-D67 VanDerWaalsContact C-N 3.26Å; R65-D67 PolarHBondContact O-N 3.44Å; R65-K68 PolarHBondContact N-O 2.92Å; R65-K68 WeakPolarHBondContact O-CA 3.48Å; R65-K68 VanDerWaalsContact O-CB 3.26Å; R65-K68 WeakPolarHBondContact O-CB 3.27Å; R65-K68 PolarHBondContact O-N 2.91Å; R65-I70 HydrophobicContact CB-CD1 3.83Å; R65-I70 HydrophobicContact CG-CD1 4.31Å; R65-E176 IonicContact CZ-OE1 2.67Å; R65-E176 IonicContact NH2-OE1 3.77Å; R65-E176 PolarHBondContact NH2-OE1 3.27Å; R65-E176 IonicContact NH2-OE2 3.25Å; R65-V179 HydrophobicContact CG-CG1 4.02Å; R65-D180 IonicContact NE-OD1 2.89Å
66	N	86.3	Confident	91.9	Very high	140 Å²	140	59.5 Å²	59.5	75%	0.749	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	45.4	-179.8	-56	-25.9	0	0	0	113	K68	N66-K68 PolarHBondContact O-N 2.98Å
67	D	87.3	Confident	92.1	Very high	166 Å²	166	57.6 Å²	57.6	89%	0.888	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	12	-174.5	-58	-41	0	0	0	115.7	R65	R65-D67 VanDerWaalsContact C-N 3.26Å; R65-D67 PolarHBondContact O-N 3.44Å
68	K	91.1	Very high	91.7	Very high	82 Å²	82	54.2 Å²	54.2	36%	0.357	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	136.2	175.1	-61.2	-68	-173.8	-174.7	0	110.5	D19 Y20 Y64 R65 N66	D19-K68 HydrophobicContact CB-CB 4.15Å; D19-K68 HydrophobicContact CB-CD 3.75Å; D19-K68 WeakPolarHBondContact OD1-CD 3.3Å; D19-K68 IonicContact OD1-NZ 2.77Å; D19-K68 PolarHBondContact OD1-NZ 3.01Å; D19-K68 WeakPolarHBondContact OD2-CA 3.29Å; Y20-K68 HydrophobicContact CD2-CB 4.13Å; Y20-K68 HydrophobicContact CD2-CG 4.45Å; Y20-K68 HydrophobicContact CE2-CB 4.09Å; Y20-K68 HydrophobicContact CE2-CD 4.02Å; Y20-K68 HydrophobicContact CE2-CG 3.9Å; Y64-K68 WeakPolarHBondContact CA-O 3.43Å; R65-K68 PolarHBondContact N-O 2.92Å; R65-K68 WeakPolarHBondContact O-CA 3.48Å; R65-K68 VanDerWaalsContact O-CB 3.26Å; R65-K68 WeakPolarHBondContact O-CB 3.27Å; R65-K68 PolarHBondContact O-N 2.91Å; N66-K68 PolarHBondContact O-N 2.98Å
69	R	94.3	Very high	90.6	Very high	37 Å²	37	49.2 Å²	49.2	14%	0.14	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	112.4	175	-168.2	-177	-175.1	-157.3	-2.6	109.1	S14 D15 N17 D19 Y20 T62 Y64	S14-R69 VanDerWaalsContact O-CZ 3.26Å; S14-R69 PolarHBondContact O-NH1 3Å; S14-R69 PolarHBondContact O-NH2 3.08Å; D15-R69 IonicContact OD1-NH2 2.91Å; N17-R69 VanDerWaalsContact O-CD 3.23Å; N17-R69 WeakPolarHBondContact O-CD 3.49Å; N17-R69 PolarHBondContact O-NH1 2.76Å; D19-R69 PolarHBondContact N-O 2.7Å; D19-R69 PolarHBondContact OD2-N 3.17Å; Y20-R69 PolarHBondContact N-O 2.82Å; T62-R69 HydrophobicContact CG2-CG 3.41Å; T62-R69 VanDerWaalsContact CG2-CG 3.41Å; T62-R69 VanDerWaalsContact CG2-NE 3.35Å; Y64-R69 HydrophobicContact CD1-CB 4.17Å; Y64-R69 HydrophobicContact CD1-CG 4.35Å; Y64-R69 HydrophobicContact CE1-CB 3.81Å; Y64-R69 HydrophobicContact CE1-CG 3.8Å; Y64-R69 HydrophobicContact CE2-CG 4.41Å; Y64-R69 PolarHBondContact OH-NE 3.15Å
70	I	95.6	Very high	89.3	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122.9	-175.6	-51.5	-178.3	0	0	0	109.1	Y20 F22 T62 I63 R65 L72 V179	Y20-I70 HydrophobicContact CD2-CG1 4.36Å; Y20-I70 CarbonylContact O-C 3.59Å; Y20-I70 WeakPolarHBondContact O-CA 3.39Å; F22-I70 HydrophobicContact CD1-CG2 4.21Å; F22-I70 HydrophobicContact CD2-CG2 3.68Å; F22-I70 HydrophobicContact CE1-CG2 4.27Å; F22-I70 HydrophobicContact CE2-CD1 3.97Å; F22-I70 HydrophobicContact CE2-CG2 3.78Å; F22-I70 HydrophobicContact CG-CG2 3.89Å; F22-I70 HydrophobicContact CZ-CD1 4.06Å; F22-I70 HydrophobicContact CZ-CG2 4.03Å; T62-I70 WeakPolarHBondContact CA-O 3.33Å; I63-I70 HydrophobicContact CG1-CB 4Å; I63-I70 PolarHBondContact N-O 3.16Å; I63-I70 PolarHBondContact O-N 3.22Å; R65-I70 HydrophobicContact CB-CD1 3.83Å; R65-I70 HydrophobicContact CG-CD1 4.31Å; I70-L72 HydrophobicContact CG2-CD2 3.82Å; I70-V179 HydrophobicContact CD1-CG1 4.11Å
71	K	95.9	Very high	87.8	Confident	33 Å²	33	52.1 Å²	52.1	14%	0.143	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	115.8	168.9	-85.2	-169	-179.6	-176.1	0	110.3	D15 F18 Y20 M21 F22 V60 T62	D15-K71 VanDerWaalsContact O-CE 3.22Å; D15-K71 WeakPolarHBondContact O-CE 3.44Å; D15-K71 PolarHBondContact O-NZ 2.88Å; F18-K71 HydrophobicContact CB-CD 4.34Å; F18-K71 HydrophobicContact CB-CG 4.03Å; F18-K71 HydrophobicContact CD1-CD 3.57Å; F18-K71 HydrophobicContact CD1-CG 4.2Å; F18-K71 HydrophobicContact CE1-CD 4.01Å; F18-K71 HydrophobicContact CG-CB 4.4Å; F18-K71 HydrophobicContact CG-CD 3.88Å; F18-K71 HydrophobicContact CG-CG 4.01Å; Y20-K71 PolarHBondContact O-N 3.32Å; M21-K71 CarbonylContact C-O 3.6Å; M21-K71 VanDerWaalsContact CA-O 3.29Å; M21-K71 WeakPolarHBondContact CA-O 3.29Å; M21-K71 HydrophobicContact CE-CD 4.35Å; M21-K71 HydrophobicContact CG-CB 4.46Å; F22-K71 PolarHBondContact N-O 2.77Å; V60-K71 HydrophobicContact CG1-CD 4.38Å; T62-K71 HydrophobicContact CG2-CG 4.44Å
72	L	96.5	Very high	86.3	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	119.6	170.7	-50.3	-177.3	0	0	0	108.9	F22 I24 Y41 V60 K61 I63 I70 I74 V179	F22-L72 HydrophobicContact CB-CD2 3.94Å; F22-L72 HydrophobicContact CD2-CD2 3.98Å; F22-L72 HydrophobicContact CG-CD2 4.34Å; I24-L72 HydrophobicContact CD1-CD2 4.14Å; Y41-L72 HydrophobicContact CE1-CD1 4.3Å; Y41-L72 WeakPolarHBondContact OH-CD1 3.44Å; V60-L72 VanDerWaalsContact CA-O 3.27Å; V60-L72 WeakPolarHBondContact CA-O 3.32Å; K61-L72 PolarHBondContact N-O 2.96Å; K61-L72 WeakPolarHBondContact O-CB 3.21Å; K61-L72 PolarHBondContact O-N 3.01Å; I63-L72 HydrophobicContact CD1-CD1 3.9Å; I63-L72 HydrophobicContact CD1-CD2 4.2Å; I63-L72 HydrophobicContact CD1-CG 4.21Å; I63-L72 HydrophobicContact CG1-CD1 4.25Å; I63-L72 HydrophobicContact CG1-CD2 4.43Å; I63-L72 HydrophobicContact CG1-CG 4.2Å; I63-L72 HydrophobicContact CG2-CD1 4.18Å; I70-L72 HydrophobicContact CG2-CD2 3.82Å; L72-I74 HydrophobicContact CB-CD1 4.2Å; L72-I74 HydrophobicContact CB-CG1 3.98Å; L72-V179 HydrophobicContact CD1-CG2 4.01Å; L72-V179 HydrophobicContact CD2-CG2 3.63Å; L72-V179 HydrophobicContact CG-CG2 4.47Å
73	Q	96.1	Very high	84.8	Confident	52 Å²	52	57.9 Å²	57.9	24%	0.243	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	104.1	165	-66.8	-173.9	-32.4	0	0	107.9	M21 F22 I24 V60	M21-Q73 HydrophobicContact CG-CG 4.11Å; M21-Q73 HydrophobicContact SD-CG 4.09Å; M21-Q73 PolarHBondContact SD-NE2 3.24Å; M21-Q73 VanDerWaalsContact SD-NE2 3.38Å; F22-Q73 PolarHBondContact O-N 2.8Å; I24-Q73 PolarHBondContact N-O 2.84Å; V60-Q73 HydrophobicContact CG2-CG 4.37Å
74	I	96.1	Very high	83.5	Confident	0 Å²	0	60 Å²	60	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	117.2	-174	-49.9	165.4	0	0	0	108.3	I24 I26 L38 Y41 F58 K59 L72 F175	I24-I74 CarbonylContact O-C 3.56Å; I24-I74 WeakPolarHBondContact O-CA 3.5Å; I26-I74 HydrophobicContact CD1-CG2 3.96Å; I26-I74 HydrophobicContact CG1-CG2 3.99Å; L38-I74 HydrophobicContact CD1-CB 3.86Å; L38-I74 HydrophobicContact CD1-CD1 4.05Å; L38-I74 HydrophobicContact CD1-CG2 3.62Å; Y41-I74 HydrophobicContact CD1-CD1 3.75Å; Y41-I74 HydrophobicContact CE1-CD1 3.59Å; F58-I74 CarbonylContact C-O 3.5Å; F58-I74 WeakPolarHBondContact CA-O 3.27Å; K59-I74 PolarHBondContact N-O 3.34Å; K59-I74 PolarHBondContact O-N 3.38Å; L72-I74 HydrophobicContact CB-CD1 4.2Å; L72-I74 HydrophobicContact CB-CG1 3.98Å; I74-F175 HydrophobicContact CD1-CD1 4.11Å; I74-F175 HydrophobicContact CD1-CE1 3.78Å; I74-F175 HydrophobicContact CG1-CE1 4.31Å; I74-F175 HydrophobicContact CG2-CE1 3.92Å; I74-F175 HydrophobicContact CG2-CZ 4.46Å
75	W	94.2	Very high	82.3	Confident	49 Å²	49	58.6 Å²	58.6	19%	0.186	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	115.5	-177.6	-64.2	79.8	0	0	0	109.1	I24 L25 I26 I56 F58 Y90	I24-W75 PolarHBondContact O-N 2.67Å; L25-W75 HydrophobicContact CD1-CB 4.15Å; L25-W75 HydrophobicContact CD1-CG 4.21Å; L25-W75 HydrophobicContact CG-CB 3.95Å; L25-W75 HydrophobicContact CG-CG 4.49Å; I26-W75 PolarHBondContact N-O 3Å; I56-W75 HydrophobicContact CG2-CE3 3.62Å; I56-W75 HydrophobicContact CG2-CZ3 4.22Å; F58-W75 HydrophobicContact CB-CD2 4.12Å; F58-W75 HydrophobicContact CB-CE3 3.98Å; F58-W75 HydrophobicContact CB-CZ3 4.27Å; W75-Y90 HydrophobicContact CD2-CD1 4.4Å; W75-Y90 AromaticContact CE3-CD1 3.75Å; W75-Y90 HydrophobicContact CE3-CD1 3.75Å; W75-Y90 HydrophobicContact CE3-CE1 4Å; W75-Y90 HydrophobicContact CH2-CD1 4.17Å; W75-Y90 HydrophobicContact CH2-CE1 4.09Å; W75-Y90 AromaticContact CZ3-CD1 3.62Å; W75-Y90 HydrophobicContact CZ3-CD1 3.62Å; W75-Y90 AromaticContact CZ3-CE1 3.47Å; W75-Y90 HydrophobicContact CZ3-CE1 3.47Å; W75-Y90 VanDerWaalsContact CZ3-CE1 3.47Å
76	D	91.6	Very high	81.3	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	129.7	170.4	-179.5	43.1	0	0	0	109.6	K34 T35 L38 I56 D57	K34-D76 VanDerWaalsContact CB-OD1 3.28Å; K34-D76 WeakPolarHBondContact CB-OD1 3.23Å; T35-D76 WeakPolarHBondContact CA-OD2 3.43Å; T35-D76 VanDerWaalsContact CB-OD2 3.25Å; T35-D76 WeakPolarHBondContact CB-OD2 3.12Å; T35-D76 WeakPolarHBondContact CG2-OD2 3.38Å; T35-D76 PolarHBondContact N-OD1 3.13Å; T35-D76 PolarHBondContact OG1-OD1 2.99Å; T35-D76 PolarHBondContact OG1-OD2 3.36Å; L38-D76 HydrophobicContact CD2-CB 3.69Å; I56-D76 WeakPolarHBondContact CA-O 3.46Å; I56-D76 WeakPolarHBondContact CG2-O 3.44Å; D57-D76 PolarHBondContact N-O 3.47Å; D57-D76 PolarHBondContact O-N 2.83Å
77	T	85.6	Confident	80.9	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	141.6	-173.1	63.6	0	0	0	0	111.3	I26 I27 K34 I56 G79 T87	I26-T77 PolarHBondContact O-OG1 3.46Å; I27-T77 HydrophobicContact CG2-CG2 4.38Å; K34-T77 WeakPolarHBondContact CE-O 3.21Å; I56-T77 HydrophobicContact CG1-CG2 4.42Å; T77-G79 PolarHBondContact O-N 2.98Å; T77-T87 HydrophobicContact CG2-CG2 3.86Å
78	A	76.9	Confident	80.6	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.008	21%	0.214	C	C	.	.			trans	-60	126.8	165.7	0	0	0	0	0	109.6	T53 G55 Q80 Y83	T53-A78 WeakPolarHBondContact O-CB 3.23Å; G55-A78 WeakPolarHBondContact O-CB 3.48Å; G55-A78 PolarHBondContact O-N 3.28Å; A78-Q80 PolarHBondContact O-N 3.35Å; A78-Y83 HydrophobicContact CB-CD2 3.79Å; A78-Y83 HydrophobicContact CB-CG 4.28Å
79	G	64.6	Low	80.2	Confident	9 Å²	9	46.1 Å²	46.1	9%	0.093	23%	0.226	C	C	.	.			trans	-83.7	6.4	176.9	0	0	0	0	0	114.1	G28 N29 S30 K34 T77	G28-G79 WeakPolarHBondContact O-CA 3.18Å; N29-G79 CarbonylContact C-O 3.52Å; S30-G79 PolarHBondContact N-O 3.46Å; K34-G79 VanDerWaalsContact NZ-CA 3.31Å; T77-G79 PolarHBondContact O-N 2.98Å
80	Q	65.6	Low	79.9	Confident	54 Å²	54	48.2 Å²	48.2	25%	0.252	24%	0.235	S	C	.	.			trans	-76.7	131.1	179.1	-127.3	-175.5	17.2	0	0	109.9	A78 R82 Y83	A78-Q80 PolarHBondContact O-N 3.35Å; Q80-R82 PolarHBondContact O-N 2.97Å; Q80-R82 VanDerWaalsContact O-N 3.12Å; Q80-Y83 HydrophobicContact CB-CD2 3.63Å; Q80-Y83 HydrophobicContact CB-CE2 4.1Å; Q80-Y83 PolarHBondContact O-N 2.84Å
81	E	62.6	Low	79.6	Confident	131 Å²	131	48.1 Å²	48.1	61%	0.612	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-52.2	-33.9	178	63.4	-65.8	151	0	0	112.7	Y83 R84	E81-Y83 PolarHBondContact O-N 3.5Å; E81-R84 VanDerWaalsContact O-CB 3.28Å; E81-R84 WeakPolarHBondContact O-CB 3.45Å; E81-R84 PolarHBondContact O-N 3.49Å
82	R	61.9	Low	79.3	Confident	168 Å²	168	56.6 Å²	56.6	63%	0.634	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-61.6	-23.7	174.7	-61.4	-172.1	-62	174.3	2.1	114	Q80	Q80-R82 PolarHBondContact O-N 2.97Å; Q80-R82 VanDerWaalsContact O-N 3.12Å
83	Y	63.4	Low	79	Confident	65 Å²	65	58.3 Å²	58.3	26%	0.255	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-102.2	0.8	-179.4	-58.9	-60.3	0	0	0	113.3	A78 Q80 E81 T85 I86 T87	A78-Y83 HydrophobicContact CB-CD2 3.79Å; A78-Y83 HydrophobicContact CB-CG 4.28Å; Q80-Y83 HydrophobicContact CB-CD2 3.63Å; Q80-Y83 HydrophobicContact CB-CE2 4.1Å; Q80-Y83 PolarHBondContact O-N 2.84Å; E81-Y83 PolarHBondContact O-N 3.5Å; Y83-T85 VanDerWaalsContact C-N 3.29Å; Y83-T85 PolarHBondContact O-N 3.39Å; Y83-I86 HydrophobicContact CD1-CD1 4.06Å; Y83-I86 WeakPolarHBondContact O-CA 3.26Å; Y83-I86 WeakPolarHBondContact O-CB 3.31Å; Y83-I86 PolarHBondContact O-N 3.39Å; Y83-T87 PolarHBondContact O-N 2.97Å; Y83-T87 PolarHBondContact O-OG1 2.93Å
84	R	67.4	Low	78.9	Confident	63 Å²	63	56 Å²	56	24%	0.238	27%	0.273	C	S	.	.	H	α-helix	trans	-56.7	-39	-175.1	-163.3	170.8	-173	-167	-5.6	113.2	E81 I86 T87 T88 D114 W115 Q118	E81-R84 VanDerWaalsContact O-CB 3.28Å; E81-R84 WeakPolarHBondContact O-CB 3.45Å; E81-R84 PolarHBondContact O-N 3.49Å; R84-I86 VanDerWaalsContact C-N 3.34Å; R84-I86 PolarHBondContact O-N 2.96Å; R84-T87 WeakPolarHBondContact O-CB 3.48Å; R84-T87 PolarHBondContact O-N 3.48Å; R84-T88 PolarHBondContact O-N 3.04Å; R84-D114 VanDerWaalsContact NH2-CB 3.35Å; R84-D114 PolarHBondContact NH2-O 3.27Å; R84-W115 HydrophobicContact CG-CH2 3.93Å; R84-W115 HydrophobicContact CG-CZ3 4.07Å; R84-Q118 VanDerWaalsContact CZ-CD 3.43Å
85	T	65.6	Low	78.9	Confident	118 Å²	118	58.3 Å²	58.3	72%	0.724	28%	0.284	S	S	*	.	H	α-helix	trans	-67.1	-31.9	175.5	-50	0	0	0	0	113.1	Y83 T88	Y83-T85 VanDerWaalsContact C-N 3.29Å; Y83-T85 PolarHBondContact O-N 3.39Å; T85-T88 PolarHBondContact O-OG1 3.04Å
86	I	69	Low	79	Confident	88 Å²	88	56 Å²	56	45%	0.451	28%	0.275	S	S	.	.	H	α-helix	trans	-73	-40.9	175.9	-69	163.4	0	0	0	109.1	I56 Y83 R84 T88 A89 Y90	I56-I86 HydrophobicContact CD1-CG2 4.15Å; Y83-I86 HydrophobicContact CD1-CD1 4.06Å; Y83-I86 WeakPolarHBondContact O-CA 3.26Å; Y83-I86 WeakPolarHBondContact O-CB 3.31Å; Y83-I86 PolarHBondContact O-N 3.39Å; R84-I86 VanDerWaalsContact C-N 3.34Å; R84-I86 PolarHBondContact O-N 2.96Å; I86-T88 VanDerWaalsContact C-N 3.34Å; I86-T88 PolarHBondContact O-N 3.44Å; I86-A89 WeakPolarHBondContact O-CB 3.49Å; I86-A89 PolarHBondContact O-N 3.17Å; I86-Y90 HydrophobicContact CG2-CE2 4.08Å; I86-Y90 VanDerWaalsContact O-CD2 3.23Å; I86-Y90 WeakPolarHBondContact O-CD2 3.32Å
87	T	77	Confident	79.2	Confident	1 Å²	1	56 Å²	56	1%	0.006	28%	0.275	C	S	.	.	H	α-helix	trans	-58.3	-41.9	178.7	-60.4	0	0	0	0	112.6	I27 T77 Y83 R84 A89 Y90 Y91	I27-T87 HydrophobicContact CG2-CG2 4.45Å; T77-T87 HydrophobicContact CG2-CG2 3.86Å; Y83-T87 PolarHBondContact O-N 2.97Å; Y83-T87 PolarHBondContact O-OG1 2.93Å; R84-T87 WeakPolarHBondContact O-CB 3.48Å; R84-T87 PolarHBondContact O-N 3.48Å; T87-A89 VanDerWaalsContact C-N 3.25Å; T87-A89 PolarHBondContact O-N 2.77Å; T87-Y90 PolarHBondContact O-N 3.39Å; T87-Y91 HydrophobicContact CG2-CE1 3.67Å; T87-Y91 VanDerWaalsContact O-CD1 3.28Å; T87-Y91 WeakPolarHBondContact O-CD1 3.27Å; T87-Y91 WeakPolarHBondContact O-CE1 3.29Å
88	T	81.4	Confident	79.8	Confident	25 Å²	25	56 Å²	56	15%	0.153	28%	0.275	C	S	.	.	H	α-helix	trans	-64.7	-26.6	-179.7	55.7	0	0	0	0	113.4	R84 T85 I86 Y90 Y91 Y122	R84-T88 PolarHBondContact O-N 3.04Å; T85-T88 PolarHBondContact O-OG1 3.04Å; I86-T88 VanDerWaalsContact C-N 3.34Å; I86-T88 PolarHBondContact O-N 3.44Å; T88-Y90 PolarHBondContact O-N 3.05Å; T88-Y90 VanDerWaalsContact O-N 3.17Å; T88-Y91 HydrophobicContact CG2-CE2 4.34Å; T88-Y91 WeakPolarHBondContact O-CB 3.39Å; T88-Y91 PolarHBondContact O-N 3.49Å; T88-Y91 VanDerWaalsContact O-N 3.12Å; T88-Y122 HydrophobicContact CG2-CD2 3.74Å; T88-Y122 HydrophobicContact CG2-CE2 4.06Å; T88-Y122 HydrophobicContact CG2-CG 4.4Å
89	A	83.7	Confident	80.8	Confident	73 Å²	73	56 Å²	56	60%	0.603	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.9	174.8	0	0	0	0	0	112.8	I86 T87	I86-A89 WeakPolarHBondContact O-CB 3.49Å; I86-A89 PolarHBondContact O-N 3.17Å; T87-A89 VanDerWaalsContact C-N 3.25Å; T87-A89 PolarHBondContact O-N 2.77Å
90	Y	87	Confident	82.4	Confident	81 Å²	81	55.6 Å²	55.6	32%	0.318	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-7.4	-179.7	-66.5	-98.2	0	0	0	113.3	K23 I56 W75 I86 T87 T88 R92	K23-Y90 WeakPolarHBondContact CE-O 3.37Å; K23-Y90 PolarHBondContact NZ-O 2.86Å; I56-Y90 HydrophobicContact CD1-CD1 4.4Å; I56-Y90 HydrophobicContact CD1-CD2 3.24Å; I56-Y90 HydrophobicContact CD1-CE1 4.34Å; I56-Y90 HydrophobicContact CD1-CE2 3.19Å; I56-Y90 HydrophobicContact CD1-CG 3.89Å; W75-Y90 HydrophobicContact CD2-CD1 4.4Å; W75-Y90 AromaticContact CE3-CD1 3.75Å; W75-Y90 HydrophobicContact CE3-CD1 3.75Å; W75-Y90 HydrophobicContact CE3-CE1 4Å; W75-Y90 HydrophobicContact CH2-CD1 4.17Å; W75-Y90 HydrophobicContact CH2-CE1 4.09Å; W75-Y90 AromaticContact CZ3-CD1 3.62Å; W75-Y90 HydrophobicContact CZ3-CD1 3.62Å; W75-Y90 AromaticContact CZ3-CE1 3.47Å; W75-Y90 HydrophobicContact CZ3-CE1 3.47Å; W75-Y90 VanDerWaalsContact CZ3-CE1 3.47Å; I86-Y90 HydrophobicContact CG2-CE2 4.08Å; I86-Y90 VanDerWaalsContact O-CD2 3.23Å; I86-Y90 WeakPolarHBondContact O-CD2 3.32Å; T87-Y90 PolarHBondContact O-N 3.39Å; T88-Y90 PolarHBondContact O-N 3.05Å; T88-Y90 VanDerWaalsContact O-N 3.17Å; Y90-R92 PolarHBondContact O-N 3.23Å
91	Y	90.5	Very high	84	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.259	C	S	.	.			trans	-69.2	-26.9	-177.8	-73.1	18.2	0	0	0	111.7	L25 I27 T87 T88 G93 A94 F97 Q118 I119	L25-Y91 HydrophobicContact CD2-CD1 3.52Å; L25-Y91 HydrophobicContact CD2-CE1 3.93Å; I27-Y91 HydrophobicContact CG2-CE1 4.1Å; T87-Y91 HydrophobicContact CG2-CE1 3.67Å; T87-Y91 VanDerWaalsContact O-CD1 3.28Å; T87-Y91 WeakPolarHBondContact O-CD1 3.27Å; T87-Y91 WeakPolarHBondContact O-CE1 3.29Å; T88-Y91 HydrophobicContact CG2-CE2 4.34Å; T88-Y91 WeakPolarHBondContact O-CB 3.39Å; T88-Y91 PolarHBondContact O-N 3.49Å; T88-Y91 VanDerWaalsContact O-N 3.12Å; Y91-G93 PolarHBondContact O-N 3.15Å; Y91-A94 VanDerWaalsContact O-CB 3.22Å; Y91-A94 WeakPolarHBondContact O-CB 3.25Å; Y91-A94 PolarHBondContact O-N 2.86Å; Y91-F97 AromaticContact CD1-CE1 3.81Å; Y91-F97 HydrophobicContact CD1-CE1 3.81Å; Y91-F97 HydrophobicContact CD1-CZ 4.3Å; Y91-F97 HydrophobicContact CD2-CE1 4.13Å; Y91-F97 HydrophobicContact CD2-CZ 4.22Å; Y91-F97 AromaticContact CE1-CE1 3.99Å; Y91-F97 HydrophobicContact CE1-CE1 3.99Å; Y91-F97 HydrophobicContact CE2-CE1 4.33Å; Y91-F97 AromaticContact CG-CE1 3.89Å; Y91-F97 HydrophobicContact CG-CE1 3.89Å; Y91-F97 AromaticContact CG-CZ 3.96Å; Y91-F97 HydrophobicContact CG-CZ 3.96Å; Y91-Q118 HydrophobicContact CE2-CB 4.09Å; Y91-I119 HydrophobicContact CE2-CG1 4.12Å
92	R	88.4	Confident	85.7	Confident	210 Å²	210	47 Å²	47	79%	0.792	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	125.7	177.9	-172.7	174.4	177.6	81.2	1.7	110.9	K23 Y90 A94	K23-R92 PolarHBondContact NZ-O 2.99Å; Y90-R92 PolarHBondContact O-N 3.23Å; R92-A94 PolarHBondContact O-N 3.21Å
93	G	89.6	Confident	87.4	Confident	37 Å²	37	39 Å²	39	38%	0.381	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	6.7	-179.1	0	0	0	0	0	114.5	Y91 M95	Y91-G93 PolarHBondContact O-N 3.15Å; G93-M95 PolarHBondContact O-N 3.46Å
94	A	94.4	Very high	89.1	Confident	2 Å²	2	37.5 Å²	37.5	2%	0.017	20%	0.199	C	C	.	.			trans	-67.1	127.4	167.9	0	0	0	0	0	109.3	L25 Y91 R92 F97	L25-A94 HydrophobicContact CD1-CB 3.62Å; Y91-A94 VanDerWaalsContact O-CB 3.22Å; Y91-A94 WeakPolarHBondContact O-CB 3.25Å; Y91-A94 PolarHBondContact O-N 2.86Å; R92-A94 PolarHBondContact O-N 3.21Å; A94-F97 HydrophobicContact CB-CD2 4.44Å; A94-F97 HydrophobicContact CB-CE1 4.2Å; A94-F97 HydrophobicContact CB-CE2 3.56Å; A94-F97 HydrophobicContact CB-CZ 3.43Å; A94-F97 VanDerWaalsContact CB-CZ 3.43Å
95	M	95.5	Very high	90.5	Very high	50 Å²	50	36.9 Å²	36.9	25%	0.246	20%	0.2	C	C	.	.			trans	-92.9	-28	177.9	-60.3	176.3	75.3	0	0	111.1	F22 K23 G93 Q128 I182 M186	F22-M95 HydrophobicContact CB-SD 4.3Å; F22-M95 HydrophobicContact CD1-CE 3.69Å; F22-M95 HydrophobicContact CD1-SD 3.65Å; F22-M95 HydrophobicContact CE1-CE 3.9Å; F22-M95 HydrophobicContact CE1-SD 4.43Å; F22-M95 HydrophobicContact CG-SD 4.27Å; K23-M95 PolarHBondContact O-N 2.82Å; G93-M95 PolarHBondContact O-N 3.46Å; M95-Q128 PolarHBondContact O-N 3.45Å; M95-I182 HydrophobicContact CB-CD1 4.19Å; M95-I182 HydrophobicContact CB-CG2 4.25Å; M95-I182 HydrophobicContact CE-CG2 3.69Å; M95-M186 HydrophobicContact CE-CG 4.24Å; M95-M186 HydrophobicContact CE-SD 3.56Å; M95-M186 VanDerWaalsContact CE-SD 3.56Å
96	G	96.8	Very high	92.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	147.1	-179.6	0	0	0	0	0	113	K23 I24 L25 Q128	K23-G96 PolarHBondContact O-N 2.91Å; I24-G96 CarbonylContact C-O 3.58Å; I24-G96 VanDerWaalsContact CA-O 3.29Å; I24-G96 WeakPolarHBondContact CA-O 3.27Å; L25-G96 PolarHBondContact N-O 3.48Å; G96-Q128 CarbonylContact C-O 3.6Å; G96-Q128 VanDerWaalsContact CA-O 3.27Å; G96-Q128 WeakPolarHBondContact CA-O 3.4Å
97	F	97.3	Very high	93.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	133	172.7	-68.1	-95.7	0	0	0	109.9	L25 I27 Y91 A94 I119 A127 Q128 V129 L130	L25-F97 HydrophobicContact CB-CD1 3.84Å; L25-F97 HydrophobicContact CB-CE1 3.97Å; L25-F97 HydrophobicContact CD2-CE1 3.81Å; L25-F97 HydrophobicContact CD2-CZ 4.49Å; L25-F97 HydrophobicContact CG-CE1 4.42Å; L25-F97 CarbonylContact O-C 3.32Å; L25-F97 WeakPolarHBondContact O-CA 3.25Å; I27-F97 HydrophobicContact CD1-CD1 4.23Å; I27-F97 HydrophobicContact CG1-CD1 4.49Å; I27-F97 HydrophobicContact CG2-CD1 4.35Å; Y91-F97 AromaticContact CD1-CE1 3.81Å; Y91-F97 HydrophobicContact CD1-CE1 3.81Å; Y91-F97 HydrophobicContact CD1-CZ 4.3Å; Y91-F97 HydrophobicContact CD2-CE1 4.13Å; Y91-F97 HydrophobicContact CD2-CZ 4.22Å; Y91-F97 AromaticContact CE1-CE1 3.99Å; Y91-F97 HydrophobicContact CE1-CE1 3.99Å; Y91-F97 HydrophobicContact CE2-CE1 4.33Å; Y91-F97 AromaticContact CG-CE1 3.89Å; Y91-F97 HydrophobicContact CG-CE1 3.89Å; Y91-F97 AromaticContact CG-CZ 3.96Å; Y91-F97 HydrophobicContact CG-CZ 3.96Å; A94-F97 HydrophobicContact CB-CD2 4.44Å; A94-F97 HydrophobicContact CB-CE1 4.2Å; A94-F97 HydrophobicContact CB-CE2 3.56Å; A94-F97 HydrophobicContact CB-CZ 3.43Å; A94-F97 VanDerWaalsContact CB-CZ 3.43Å; F97-I119 HydrophobicContact CB-CD1 4.06Å; F97-I119 HydrophobicContact CD1-CD1 4.14Å; F97-I119 HydrophobicContact CD1-CG1 3.94Å; F97-I119 HydrophobicContact CD2-CG2 3.89Å; F97-I119 HydrophobicContact CE1-CG1 4.14Å; F97-I119 HydrophobicContact CE2-CG2 3.89Å; F97-I119 HydrophobicContact CG-CD1 4.07Å; F97-I119 HydrophobicContact CG-CG1 4.16Å; F97-I119 HydrophobicContact CG-CG2 4.28Å; F97-I119 HydrophobicContact CZ-CG2 4.26Å; F97-A127 HydrophobicContact CD2-CB 3.96Å; F97-A127 HydrophobicContact CE2-CB 3.66Å; F97-Q128 PolarHBondContact N-O 3.22Å; F97-V129 HydrophobicContact CB-CG1 4.22Å; F97-V129 HydrophobicContact CB-CG2 4.22Å; F97-V129 HydrophobicContact CD2-CG2 4.49Å; F97-V129 WeakPolarHBondContact O-CA 3.45Å; F97-L130 PolarHBondContact O-N 3.49Å
98	I	98.1	Very high	94.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	104.1	163.4	-60.8	177	0	0	0	106.1	I24 L25 I26 I27 M100 V132 T174 F175 L178	I24-I98 HydrophobicContact CG2-CD1 4.39Å; I24-I98 HydrophobicContact CG2-CG1 4.35Å; L25-I98 PolarHBondContact O-N 2.81Å; I26-I98 WeakPolarHBondContact CA-O 3.19Å; I26-I98 HydrophobicContact CG1-CB 4.39Å; I26-I98 HydrophobicContact CG1-CD1 4.43Å; I26-I98 HydrophobicContact CG2-CB 4.24Å; I26-I98 HydrophobicContact CG2-CG2 4.22Å; I27-I98 PolarHBondContact N-O 3.47Å; I98-M100 HydrophobicContact CG2-CE 4.28Å; I98-V132 HydrophobicContact CG2-CB 4.34Å; I98-V132 HydrophobicContact CG2-CG2 3.69Å; I98-T174 HydrophobicContact CD1-CG2 4.02Å; I98-T174 HydrophobicContact CG1-CG2 4.31Å; I98-T174 HydrophobicContact CG2-CG2 4.29Å; I98-F175 HydrophobicContact CD1-CD1 3.73Å; I98-F175 HydrophobicContact CD1-CD2 4.47Å; I98-F175 HydrophobicContact CD1-CE1 3.38Å; I98-F175 HydrophobicContact CD1-CE2 4.18Å; I98-F175 HydrophobicContact CD1-CG 4.26Å; I98-F175 HydrophobicContact CD1-CZ 3.64Å; I98-L178 HydrophobicContact CD1-CD2 4.27Å; I98-L178 HydrophobicContact CG1-CD2 3.67Å
99	L	97.4	Very high	95.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	112.4	176.8	174.8	51.3	0	0	0	108.9	I27 V112 W115 I119 V129 L130 L131 V132 F158	I27-L99 HydrophobicContact CD1-CD1 4.02Å; I27-L99 HydrophobicContact CG1-CB 4.32Å; I27-L99 HydrophobicContact CG1-CD1 3.88Å; L99-V112 HydrophobicContact CD2-CG1 3.74Å; 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 3.9Å; L99-W115 HydrophobicContact CD2-CB 4.2Å; L99-W115 HydrophobicContact CG-CB 4.5Å; L99-I119 HydrophobicContact CD2-CD1 4.42Å; L99-V129 HydrophobicContact CB-CG1 4.1Å; L99-L130 PolarHBondContact N-O 2.94Å; L99-L131 HydrophobicContact CD2-CD1 4.43Å; L99-L131 HydrophobicContact CG-CD1 4.06Å; L99-L131 CarbonylContact O-C 3.58Å; L99-L131 WeakPolarHBondContact O-CA 3.24Å; L99-V132 PolarHBondContact O-N 3.05Å; L99-F158 HydrophobicContact CD2-CE2 4.31Å
100	M	98	Very high	95.8	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135.1	-169.7	-169.2	176.6	-72.1	0	0	112.3	I26 I27 G28 V32 K34 F37 I98 V132 N134	I26-M100 HydrophobicContact CG2-CE 4.25Å; I27-M100 PolarHBondContact O-N 3.3Å; G28-M100 WeakPolarHBondContact CA-O 3.01Å; V32-M100 HydrophobicContact CB-CG 4.37Å; V32-M100 HydrophobicContact CG2-CB 4.1Å; V32-M100 HydrophobicContact CG2-CG 3.95Å; V32-M100 HydrophobicContact CG2-SD 4.14Å; K34-M100 HydrophobicContact CG-CB 4.43Å; K34-M100 HydrophobicContact CG-SD 4.14Å; F37-M100 HydrophobicContact CB-CE 3.7Å; F37-M100 HydrophobicContact CB-SD 4.48Å; F37-M100 HydrophobicContact CD1-CE 3.7Å; F37-M100 HydrophobicContact CD2-CE 3.7Å; F37-M100 HydrophobicContact CE1-CE 4.18Å; F37-M100 HydrophobicContact CE2-CE 4.18Å; F37-M100 HydrophobicContact CG-CE 3.43Å; F37-M100 VanDerWaalsContact CG-CE 3.43Å; F37-M100 HydrophobicContact CZ-CE 4.41Å; I98-M100 HydrophobicContact CG2-CE 4.28Å; M100-V132 WeakPolarHBondContact CA-O 3.29Å; M100-V132 HydrophobicContact CE-CG1 4.25Å; M100-V132 HydrophobicContact CG-CB 4.49Å; M100-N134 HydrophobicContact CE-CB 4.47Å; M100-N134 HydrophobicContact CG-CB 3.8Å; M100-N134 HydrophobicContact SD-CB 3.74Å
101	Y	98.4	Very high	96.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	171.1	163.7	73.6	-86.3	0	0	0	110	I103 F109 V112 L131 V132 G133 N134 V144 F160	Y101-I103 HydrophobicContact CE2-CG2 4.05Å; Y101-F109 HydrophobicContact CD1-CD2 4.15Å; Y101-F109 HydrophobicContact CD2-CB 3.92Å; Y101-F109 AromaticContact CD2-CD2 3.86Å; Y101-F109 HydrophobicContact CD2-CD2 3.86Å; Y101-F109 HydrophobicContact CD2-CG 4.38Å; Y101-F109 AromaticContact CE1-CD2 3.99Å; Y101-F109 HydrophobicContact CE1-CD2 3.99Å; Y101-F109 HydrophobicContact CE1-CE2 4.36Å; Y101-F109 HydrophobicContact CE2-CB 4.39Å; Y101-F109 AromaticContact CE2-CD2 3.71Å; Y101-F109 HydrophobicContact CE2-CD2 3.71Å; Y101-F109 HydrophobicContact CE2-CG 4.45Å; Y101-F109 HydrophobicContact CG-CB 4.33Å; Y101-F109 HydrophobicContact CG-CD2 4.09Å; Y101-F109 AromaticContact CZ-CD2 3.77Å; Y101-V112 HydrophobicContact CD1-CG2 4.05Å; Y101-V112 HydrophobicContact CG-CG2 4.27Å; Y101-L131 HydrophobicContact CD1-CD1 3.93Å; Y101-L131 HydrophobicContact CD1-CG 4.38Å; Y101-L131 HydrophobicContact CE1-CD1 4.16Å; Y101-L131 HydrophobicContact CE1-CD2 4.28Å; Y101-L131 HydrophobicContact CE1-CG 4.11Å; Y101-V132 WeakPolarHBondContact CD1-O 3.3Å; Y101-V132 PolarHBondContact N-O 3.09Å; Y101-G133 VanDerWaalsContact CZ-CA 3.49Å; Y101-N134 PolarHBondContact O-N 2.9Å; Y101-V144 HydrophobicContact CE2-CB 4.1Å; Y101-V144 HydrophobicContact CE2-CG1 3.79Å; Y101-V144 HydrophobicContact CE2-CG2 4.36Å; Y101-F160 AromaticContact CE1-CE2 3.91Å; Y101-F160 HydrophobicContact CE1-CE2 3.91Å; Y101-F160 WeakPolarHBondContact OH-CE2 3.28Å; Y101-F160 WeakPolarHBondContact OH-CZ 3.46Å
102	D	98.3	Very high	96.4	Very high	5 Å²	5	34 Å²	34	3%	0.027	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.1	177.5	174.3	-4.3	0	0	0	109.5	V32 T104 N105 S108 K135	V32-D102 HydrophobicContact CB-CB 4.18Å; V32-D102 HydrophobicContact CG1-CB 4.12Å; D102-T104 PolarHBondContact O-N 2.8Å; D102-T104 VanDerWaalsContact O-N 3.13Å; D102-T104 WeakPolarHBondContact OD1-CB 3.27Å; D102-T104 PolarHBondContact OD1-N 2.63Å; D102-T104 PolarHBondContact OD1-OG1 3.44Å; D102-T104 PolarHBondContact OD2-OG1 2.78Å; D102-N105 HydrophobicContact CB-CB 4.02Å; D102-N105 PolarHBondContact O-N 3.49Å; D102-S108 PolarHBondContact N-OG 2.84Å; D102-S108 PolarHBondContact O-OG 2.93Å; D102-K135 WeakPolarHBondContact OD1-CD 3.5Å; D102-K135 WeakPolarHBondContact OD2-CD 3.32Å; D102-K135 WeakPolarHBondContact OD2-CE 3.42Å; D102-K135 IonicContact OD2-NZ 2.8Å; D102-K135 PolarHBondContact OD2-NZ 2.9Å
103	I	98.7	Very high	96.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-17.6	-177.2	66.1	151.7	0	0	0	113.4	Y101 N134 K135 C136 R142 V143 V144	Y101-I103 HydrophobicContact CE2-CG2 4.05Å; I103-N134 PolarHBondContact N-O 2.84Å; I103-N134 VanDerWaalsContact N-O 3.12Å; I103-K135 WeakPolarHBondContact CD1-O 3.3Å; I103-K135 WeakPolarHBondContact CG1-O 3.44Å; I103-C136 HydrophobicContact CD1-CB 4.43Å; I103-R142 HydrophobicContact CD1-CB 4.24Å; I103-R142 HydrophobicContact CD1-CG 4.24Å; I103-R142 VanDerWaalsContact CD1-CZ 3.44Å; I103-V143 PolarHBondContact O-N 2.84Å; I103-V144 PolarHBondContact O-N 3.33Å
104	T	98.4	Very high	96.9	Very high	34 Å²	34	31.2 Å²	31.2	21%	0.209	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-0.2	176.9	70.4	0	0	0	0	112.6	D102 M138 E141 V143	D102-T104 PolarHBondContact O-N 2.8Å; D102-T104 VanDerWaalsContact O-N 3.13Å; D102-T104 WeakPolarHBondContact OD1-CB 3.27Å; D102-T104 PolarHBondContact OD1-N 2.63Å; D102-T104 PolarHBondContact OD1-OG1 3.44Å; D102-T104 PolarHBondContact OD2-OG1 2.78Å; T104-M138 HydrophobicContact CG2-CB 3.68Å; T104-M138 HydrophobicContact CG2-CE 4.21Å; T104-M138 HydrophobicContact CG2-SD 4.26Å; T104-E141 HydrophobicContact CG2-CB 3.82Å; T104-V143 VanDerWaalsContact C-CG2 3.44Å; T104-V143 WeakPolarHBondContact O-CG2 3.25Å
105	N	97.8	Very high	96.8	Very high	50 Å²	50	31.5 Å²	31.5	27%	0.267	16%	0.16	S	C	.	.			trans	-133	101.1	-176.2	-173.9	-36.9	0	0	0	112.2	D102 E107 S108 F109	D102-N105 HydrophobicContact CB-CB 4.02Å; D102-N105 PolarHBondContact O-N 3.49Å; N105-E107 VanDerWaalsContact C-N 3.32Å; N105-E107 PolarHBondContact O-N 2.93Å; N105-E107 WeakPolarHBondContact OD1-CA 3.37Å; N105-E107 WeakPolarHBondContact OD1-CB 3.32Å; N105-E107 PolarHBondContact OD1-N 2.94Å; N105-S108 WeakPolarHBondContact O-CB 3.29Å; N105-S108 PolarHBondContact O-N 3.46Å; N105-S108 PolarHBondContact O-OG 2.55Å; N105-S108 PolarHBondContact OD1-N 2.87Å; N105-F109 PolarHBondContact O-N 3.33Å
106	E	97.7	Very high	96.7	Very high	61 Å²	61	29.2 Å²	29.2	29%	0.285	15%	0.149	S	C	.	.	H	α-helix	trans	-59.8	-36.2	179	-174	69	-161.6	0	0	113.2	S108 F109 N110 V143 R148	E106-S108 VanDerWaalsContact C-N 3.32Å; E106-S108 PolarHBondContact O-N 3.34Å; E106-F109 WeakPolarHBondContact O-CB 3.22Å; E106-F109 PolarHBondContact O-N 3Å; E106-N110 PolarHBondContact O-N 3Å; E106-N110 PolarHBondContact O-ND2 3Å; E106-V143 HydrophobicContact CB-CG2 4.12Å; E106-R148 IonicContact OE1-CZ 2.67Å; E106-R148 VanDerWaalsContact OE1-CZ 3.23Å; E106-R148 IonicContact OE1-NH1 3.79Å; E106-R148 PolarHBondContact OE1-NH1 2.81Å; E106-R148 IonicContact OE1-NH2 3.13Å; E106-R148 PolarHBondContact OE1-NH2 3.26Å; E106-R148 IonicContact OE2-CZ 3.86Å; E106-R148 IonicContact OE2-NH1 2.83Å; E106-R148 PolarHBondContact OE2-NH1 2.7Å
107	E	96.5	Very high	96.5	Very high	142 Å²	142	32.8 Å²	32.8	66%	0.664	17%	0.171	S	C	*	.	H	α-helix	trans	-64.3	-39.7	178.3	-174.1	-175.9	178.6	0	0	111.1	N105 F109 N110 A111	N105-E107 VanDerWaalsContact C-N 3.32Å; N105-E107 PolarHBondContact O-N 2.93Å; N105-E107 WeakPolarHBondContact OD1-CA 3.37Å; N105-E107 WeakPolarHBondContact OD1-CB 3.32Å; N105-E107 PolarHBondContact OD1-N 2.94Å; E107-F109 VanDerWaalsContact C-N 3.27Å; E107-F109 PolarHBondContact O-N 2.93Å; E107-N110 PolarHBondContact O-N 2.92Å; E107-A111 WeakPolarHBondContact O-CB 3.34Å; E107-A111 PolarHBondContact O-N 3.22Å
108	S	97.3	Very high	96.2	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.014	18%	0.178	C	C	.	.	H	α-helix	trans	-63.7	-34.5	176.1	81.1	0	0	0	0	112.5	D102 N105 E106	D102-S108 PolarHBondContact N-OG 2.84Å; D102-S108 PolarHBondContact O-OG 2.93Å; N105-S108 WeakPolarHBondContact O-CB 3.29Å; N105-S108 PolarHBondContact O-N 3.46Å; N105-S108 PolarHBondContact O-OG 2.55Å; N105-S108 PolarHBondContact OD1-N 2.87Å; E106-S108 VanDerWaalsContact C-N 3.32Å; E106-S108 PolarHBondContact O-N 3.34Å
109	F	98.4	Very high	95.9	Very high	13 Å²	13	34.6 Å²	34.6	6%	0.057	18%	0.179	C	C	.	.	H	α-helix	trans	-70.8	-45.5	175.2	177.7	-103.5	0	0	0	111.7	Y101 N105 E106 E107 A111 V112 V144 R148 L152	Y101-F109 HydrophobicContact CD1-CD2 4.15Å; Y101-F109 HydrophobicContact CD2-CB 3.92Å; Y101-F109 AromaticContact CD2-CD2 3.86Å; Y101-F109 HydrophobicContact CD2-CD2 3.86Å; Y101-F109 HydrophobicContact CD2-CG 4.38Å; Y101-F109 AromaticContact CE1-CD2 3.99Å; Y101-F109 HydrophobicContact CE1-CD2 3.99Å; Y101-F109 HydrophobicContact CE1-CE2 4.36Å; Y101-F109 HydrophobicContact CE2-CB 4.39Å; Y101-F109 AromaticContact CE2-CD2 3.71Å; Y101-F109 HydrophobicContact CE2-CD2 3.71Å; Y101-F109 HydrophobicContact CE2-CG 4.45Å; Y101-F109 HydrophobicContact CG-CB 4.33Å; Y101-F109 HydrophobicContact CG-CD2 4.09Å; Y101-F109 AromaticContact CZ-CD2 3.77Å; N105-F109 PolarHBondContact O-N 3.33Å; E106-F109 WeakPolarHBondContact O-CB 3.22Å; E106-F109 PolarHBondContact O-N 3Å; E107-F109 VanDerWaalsContact C-N 3.27Å; E107-F109 PolarHBondContact O-N 2.93Å; F109-A111 PolarHBondContact O-N 2.83Å; F109-V112 WeakPolarHBondContact O-CB 3.31Å; F109-V112 VanDerWaalsContact O-CG2 3.23Å; F109-V112 WeakPolarHBondContact O-CG2 3.45Å; F109-V112 PolarHBondContact O-N 2.75Å; F109-V144 HydrophobicContact CB-CG1 4.36Å; F109-V144 HydrophobicContact CB-CG2 3.82Å; F109-V144 HydrophobicContact CD1-CG1 4.25Å; F109-V144 HydrophobicContact CD2-CG1 3.73Å; F109-V144 HydrophobicContact CE2-CG1 4.01Å; F109-V144 HydrophobicContact CG-CG1 3.84Å; F109-V144 HydrophobicContact CG-CG2 4.17Å; F109-V144 HydrophobicContact CZ-CG1 4.4Å; F109-R148 HydrophobicContact CE1-CB 4.4Å; F109-R148 HydrophobicContact CZ-CB 3.98Å; F109-L152 HydrophobicContact CD2-CD2 4.18Å; F109-L152 HydrophobicContact CE1-CD2 4.29Å; F109-L152 HydrophobicContact CE2-CB 4.17Å; F109-L152 HydrophobicContact CE2-CD2 3.48Å; F109-L152 VanDerWaalsContact CE2-CD2 3.48Å; F109-L152 HydrophobicContact CE2-CG 4.48Å; F109-L152 HydrophobicContact CZ-CB 3.93Å; F109-L152 HydrophobicContact CZ-CD2 3.56Å; F109-L152 HydrophobicContact CZ-CG 4.36Å
110	N	96.7	Very high	95.6	Very high	93 Å²	93	41 Å²	41	50%	0.497	21%	0.207	S	C	.	.	H	α-helix	trans	-61.6	-33.4	177.8	-68.9	-30.3	0	0	0	112.2	E106 E107 V112	E106-N110 PolarHBondContact O-N 3Å; E106-N110 PolarHBondContact O-ND2 3Å; E107-N110 PolarHBondContact O-N 2.92Å; N110-V112 PolarHBondContact O-N 2.85Å
111	A	95.5	Very high	95.2	Very high	15 Å²	15	45 Å²	45	12%	0.124	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-14.8	177.2	0	0	0	0	0	114.3	N29 E107 F109 Q113 D114 W115	N29-A111 WeakPolarHBondContact OD1-CB 3.41Å; E107-A111 WeakPolarHBondContact O-CB 3.34Å; E107-A111 PolarHBondContact O-N 3.22Å; F109-A111 PolarHBondContact O-N 2.83Å; A111-Q113 PolarHBondContact O-N 3.31Å; A111-D114 PolarHBondContact O-N 3.02Å; A111-D114 VanDerWaalsContact O-N 3.14Å; A111-W115 PolarHBondContact O-N 3.13Å
112	V	96.1	Very high	94.8	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-55.8	-39	-179.1	169.4	0	0	0	0	111.6	L99 Y101 F109 N110 D114 W115 S116 L131 L152 L156	L99-V112 HydrophobicContact CD2-CG1 3.74Å; L99-V112 HydrophobicContact CG-CG1 4.24Å; Y101-V112 HydrophobicContact CD1-CG2 4.05Å; Y101-V112 HydrophobicContact CG-CG2 4.27Å; F109-V112 WeakPolarHBondContact O-CB 3.31Å; F109-V112 VanDerWaalsContact O-CG2 3.23Å; F109-V112 WeakPolarHBondContact O-CG2 3.45Å; F109-V112 PolarHBondContact O-N 2.75Å; N110-V112 PolarHBondContact O-N 2.85Å; V112-D114 PolarHBondContact O-N 3.38Å; V112-W115 PolarHBondContact O-N 3.22Å; V112-S116 WeakPolarHBondContact O-CB 3.32Å; V112-S116 PolarHBondContact O-N 2.82Å; V112-L131 HydrophobicContact CG1-CD1 3.58Å; V112-L131 HydrophobicContact CG2-CD1 4.06Å; V112-L152 HydrophobicContact CB-CD2 3.93Å; V112-L152 HydrophobicContact CG1-CD2 3.69Å; V112-L152 HydrophobicContact CG1-CG 4.47Å; V112-L156 HydrophobicContact CG1-CD1 3.99Å
113	Q	94.6	Very high	94.2	Very high	99 Å²	99	52 Å²	52	46%	0.463	26%	0.263	S	S	.	.	H	α-helix	trans	-67.2	-38	-178.8	-166.8	160.4	32.7	0	0	112.2	A111 S116 T117	A111-Q113 PolarHBondContact O-N 3.31Å; Q113-S116 PolarHBondContact O-N 2.83Å; Q113-T117 PolarHBondContact O-N 3.49Å; Q113-T117 PolarHBondContact O-OG1 2.92Å
114	D	93.1	Very high	93.2	Very high	88 Å²	88	61 Å²	61	47%	0.471	30%	0.297	S	S	.	.	H	α-helix	trans	-68.4	-40.7	175.4	-66	-14.8	0	0	0	111.3	R84 A111 V112 T117 Q118	R84-D114 VanDerWaalsContact NH2-CB 3.35Å; R84-D114 PolarHBondContact NH2-O 3.27Å; A111-D114 PolarHBondContact O-N 3.02Å; A111-D114 VanDerWaalsContact O-N 3.14Å; V112-D114 PolarHBondContact O-N 3.38Å; D114-T117 PolarHBondContact O-N 2.82Å; D114-Q118 WeakPolarHBondContact O-CG 3.2Å; D114-Q118 PolarHBondContact O-N 2.91Å
115	W	93.3	Very high	92	Very high	8 Å²	8	65.9 Å²	65.9	3%	0.03	32%	0.322	C	S	.	.	H	α-helix	trans	-62.5	-43.2	174.3	-74.2	115	0	0	0	112	I27 N29 R84 L99 A111 V112 T117 Q118 I119	I27-W115 HydrophobicContact CD1-CB 4.23Å; I27-W115 HydrophobicContact CD1-CE3 4.11Å; N29-W115 PolarHBondContact OD1-NE1 3.45Å; R84-W115 HydrophobicContact CG-CH2 3.93Å; R84-W115 HydrophobicContact CG-CZ3 4.07Å; L99-W115 HydrophobicContact CD1-CB 3.45Å; L99-W115 VanDerWaalsContact CD1-CB 3.45Å; L99-W115 HydrophobicContact CD1-CG 3.9Å; L99-W115 HydrophobicContact CD2-CB 4.2Å; L99-W115 HydrophobicContact CG-CB 4.5Å; A111-W115 PolarHBondContact O-N 3.13Å; V112-W115 PolarHBondContact O-N 3.22Å; W115-T117 VanDerWaalsContact C-N 3.33Å; W115-T117 PolarHBondContact O-N 3.26Å; W115-Q118 WeakPolarHBondContact O-CB 3.33Å; W115-Q118 PolarHBondContact O-N 2.84Å; W115-I119 WeakPolarHBondContact O-CG1 3.47Å; W115-I119 PolarHBondContact O-N 2.97Å
116	S	93.2	Very high	91.1	Very high	2 Å²	2	68.7 Å²	68.7	1%	0.014	34%	0.337	C	S	.	.	H	α-helix	trans	-58.9	-44.3	174.6	179.5	0	0	0	0	111.6	V112 Q113 Q118 I119 K120 F158	V112-S116 WeakPolarHBondContact O-CB 3.32Å; V112-S116 PolarHBondContact O-N 2.82Å; Q113-S116 PolarHBondContact O-N 2.83Å; S116-Q118 VanDerWaalsContact C-N 3.3Å; S116-Q118 PolarHBondContact O-N 3.34Å; S116-I119 PolarHBondContact O-N 3.05Å; S116-K120 WeakPolarHBondContact O-CG 3.35Å; S116-K120 PolarHBondContact O-N 3.49Å; S116-F158 VanDerWaalsContact OG-CZ 3.3Å; S116-F158 WeakPolarHBondContact OG-CZ 3.41Å
117	T	92.4	Very high	90.9	Very high	75 Å²	75	66.8 Å²	66.8	46%	0.46	33%	0.332	S	S	.	.	H	α-helix	trans	-60.9	-40.2	176.3	-58.2	0	0	0	0	111.6	Q113 D114 W115 K120 T121	Q113-T117 PolarHBondContact O-N 3.49Å; Q113-T117 PolarHBondContact O-OG1 2.92Å; D114-T117 PolarHBondContact O-N 2.82Å; W115-T117 VanDerWaalsContact C-N 3.33Å; W115-T117 PolarHBondContact O-N 3.26Å; T117-K120 PolarHBondContact O-N 2.7Å; T117-T121 WeakPolarHBondContact O-CB 3.31Å; T117-T121 PolarHBondContact O-N 2.87Å; T117-T121 PolarHBondContact O-OG1 2.98Å
118	Q	90.4	Very high	90.8	Very high	34 Å²	34	61.9 Å²	61.9	16%	0.159	31%	0.309	C	S	.	.	H	α-helix	trans	-67	-40.8	175.8	-72.8	-170.9	-25.1	0	0	113	R84 Y91 D114 W115 S116 K120 T121 Y122	R84-Q118 VanDerWaalsContact CZ-CD 3.43Å; Y91-Q118 HydrophobicContact CE2-CB 4.09Å; D114-Q118 WeakPolarHBondContact O-CG 3.2Å; D114-Q118 PolarHBondContact O-N 2.91Å; W115-Q118 WeakPolarHBondContact O-CB 3.33Å; W115-Q118 PolarHBondContact O-N 2.84Å; S116-Q118 VanDerWaalsContact C-N 3.3Å; S116-Q118 PolarHBondContact O-N 3.34Å; Q118-K120 VanDerWaalsContact C-N 3.33Å; Q118-T121 PolarHBondContact O-N 2.7Å; Q118-Y122 HydrophobicContact CB-CD2 4.26Å; Q118-Y122 HydrophobicContact CG-CE2 4.37Å; Q118-Y122 VanDerWaalsContact O-CD2 3.29Å; Q118-Y122 WeakPolarHBondContact O-CD2 3.42Å; Q118-Y122 PolarHBondContact O-N 2.89Å
119	I	91.9	Very high	90.8	Very high	4 Å²	4	62.6 Å²	62.6	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-57.3	-51.9	173.5	-66.4	162.6	0	0	0	108.9	I27 Y91 F97 L99 W115 S116 T121 Y122 S123 V129	I27-I119 HydrophobicContact CD1-CD1 3.39Å; I27-I119 HydrophobicContact CD1-CG1 3.59Å; I27-I119 HydrophobicContact CG1-CD1 4.44Å; Y91-I119 HydrophobicContact CE2-CG1 4.12Å; F97-I119 HydrophobicContact CB-CD1 4.06Å; F97-I119 HydrophobicContact CD1-CD1 4.14Å; F97-I119 HydrophobicContact CD1-CG1 3.94Å; F97-I119 HydrophobicContact CD2-CG2 3.89Å; F97-I119 HydrophobicContact CE1-CG1 4.14Å; F97-I119 HydrophobicContact CE2-CG2 3.89Å; F97-I119 HydrophobicContact CG-CD1 4.07Å; F97-I119 HydrophobicContact CG-CG1 4.16Å; F97-I119 HydrophobicContact CG-CG2 4.28Å; F97-I119 HydrophobicContact CZ-CG2 4.26Å; L99-I119 HydrophobicContact CD2-CD1 4.42Å; W115-I119 WeakPolarHBondContact O-CG1 3.47Å; W115-I119 PolarHBondContact O-N 2.97Å; S116-I119 PolarHBondContact O-N 3.05Å; I119-T121 PolarHBondContact O-N 2.76Å; I119-Y122 PolarHBondContact O-N 2.79Å; I119-S123 WeakPolarHBondContact CG2-OG 3.27Å; I119-S123 WeakPolarHBondContact O-CA 3.26Å; I119-S123 WeakPolarHBondContact O-CB 3.47Å; I119-S123 PolarHBondContact O-N 3.43Å; I119-S123 PolarHBondContact O-OG 2.84Å; I119-V129 HydrophobicContact CD1-CG1 4.1Å; I119-V129 HydrophobicContact CD1-CG2 4.23Å; I119-V129 HydrophobicContact CG2-CG2 4.03Å
120	K	90.4	Very high	90.8	Very high	134 Å²	134	62 Å²	62	58%	0.583	31%	0.31	S	S	*	.	H	α-helix	trans	-60.1	-30.8	-179.4	-69.2	178.7	-177.5	-177.1	0	113.4	S116 T117 Q118	S116-K120 WeakPolarHBondContact O-CG 3.35Å; S116-K120 PolarHBondContact O-N 3.49Å; T117-K120 PolarHBondContact O-N 2.7Å; Q118-K120 VanDerWaalsContact C-N 3.33Å
121	T	90.7	Very high	90.9	Very high	85 Å²	85	57.5 Å²	57.5	52%	0.521	29%	0.286	S	S	.	.	H	α-helix	trans	-82.8	-37.7	-177.3	-56.3	0	0	0	0	113	T117 Q118 I119	T117-T121 WeakPolarHBondContact O-CB 3.31Å; T117-T121 PolarHBondContact O-N 2.87Å; T117-T121 PolarHBondContact O-OG1 2.98Å; Q118-T121 PolarHBondContact O-N 2.7Å; I119-T121 PolarHBondContact O-N 2.76Å
122	Y	88.8	Confident	91	Very high	127 Å²	127	56.8 Å²	56.8	50%	0.498	28%	0.28	S	S	.	.	H	α-helix	trans	-117.7	-8	-167.9	-57.5	-67.7	0	0	0	114.7	T88 Q118 I119	T88-Y122 HydrophobicContact CG2-CD2 3.74Å; T88-Y122 HydrophobicContact CG2-CE2 4.06Å; T88-Y122 HydrophobicContact CG2-CG 4.4Å; Q118-Y122 HydrophobicContact CB-CD2 4.26Å; Q118-Y122 HydrophobicContact CG-CE2 4.37Å; Q118-Y122 VanDerWaalsContact O-CD2 3.29Å; Q118-Y122 WeakPolarHBondContact O-CD2 3.42Å; Q118-Y122 PolarHBondContact O-N 2.89Å; I119-Y122 PolarHBondContact O-N 2.79Å
123	S	87.1	Confident	91.2	Very high	27 Å²	27	56.8 Å²	56.8	19%	0.189	28%	0.28	C	S	.	.	S	Bend	trans	-91.3	176.9	174.9	77.7	0	0	0	0	111.9	I119	I119-S123 WeakPolarHBondContact CG2-OG 3.27Å; I119-S123 WeakPolarHBondContact O-CA 3.26Å; I119-S123 WeakPolarHBondContact O-CB 3.47Å; I119-S123 PolarHBondContact O-N 3.43Å; I119-S123 PolarHBondContact O-OG 2.84Å
124	W	76.6	Confident	91.3	Very high	188 Å²	188	52.3 Å²	52.3	71%	0.712	26%	0.259	S	S	*	.			trans	-84.5	146.9	179.9	-151.1	21.9	0	0	0	110.6	N126 A127	W124-N126 PolarHBondContact O-N 2.97Å; W124-N126 VanDerWaalsContact O-N 3.13Å; W124-A127 PolarHBondContact O-N 3.19Å
125	D	72.8	Confident	91.6	Very high	137 Å²	137	50.4 Å²	50.4	73%	0.733	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	121.5	167.3	-61.8	-40.5	0	0	0	107.1
126	N	80	Confident	91.8	Very high	109 Å²	109	51.1 Å²	51.1	58%	0.583	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.5	4.5	-172.7	-48.8	-47.2	0	0	0	117.6	W124 Q128 K185	W124-N126 PolarHBondContact O-N 2.97Å; W124-N126 VanDerWaalsContact O-N 3.13Å; N126-Q128 PolarHBondContact O-N 2.86Å; N126-Q128 PolarHBondContact O-NE2 3.39Å; N126-K185 HydrophobicContact CB-CG 4.44Å
127	A	92.3	Very high	92.1	Very high	21 Å²	21	52.9 Å²	52.9	17%	0.174	26%	0.262	C	S	.	.			trans	-62	128	168.1	0	0	0	0	0	111.4	F97 W124	F97-A127 HydrophobicContact CD2-CB 3.96Å; F97-A127 HydrophobicContact CE2-CB 3.66Å; W124-A127 PolarHBondContact O-N 3.19Å
128	Q	95.9	Very high	92.3	Very high	39 Å²	39	51.6 Å²	51.6	18%	0.182	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	142	179.5	-56.5	-54.1	-51	0	0	110.5	M95 G96 F97 N126 L178 I181 I182	M95-Q128 PolarHBondContact O-N 3.45Å; G96-Q128 CarbonylContact C-O 3.6Å; G96-Q128 VanDerWaalsContact CA-O 3.27Å; G96-Q128 WeakPolarHBondContact CA-O 3.4Å; F97-Q128 PolarHBondContact N-O 3.22Å; N126-Q128 PolarHBondContact O-N 2.86Å; N126-Q128 PolarHBondContact O-NE2 3.39Å; Q128-L178 HydrophobicContact CB-CD1 3.95Å; Q128-I181 HydrophobicContact CB-CG2 4.01Å; Q128-I181 HydrophobicContact CG-CG2 3.75Å; Q128-I182 HydrophobicContact CB-CG1 4.07Å; Q128-I182 HydrophobicContact CG-CG1 3.94Å
129	V	96.6	Very high	92.6	Very high	16 Å²	16	55 Å²	55	10%	0.097	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	129.1	-176.2	-170.3	0	0	0	0	110.3	F97 L99 I119 F158	F97-V129 HydrophobicContact CB-CG1 4.22Å; F97-V129 HydrophobicContact CB-CG2 4.22Å; F97-V129 HydrophobicContact CD2-CG2 4.49Å; F97-V129 WeakPolarHBondContact O-CA 3.45Å; L99-V129 HydrophobicContact CB-CG1 4.1Å; I119-V129 HydrophobicContact CD1-CG1 4.1Å; I119-V129 HydrophobicContact CD1-CG2 4.23Å; I119-V129 HydrophobicContact CG2-CG2 4.03Å; V129-F158 HydrophobicContact CB-CD1 3.76Å; V129-F158 HydrophobicContact CB-CD2 4.34Å; V129-F158 HydrophobicContact CB-CE1 3.71Å; V129-F158 HydrophobicContact CB-CE2 4.27Å; V129-F158 HydrophobicContact CB-CG 4.1Å; V129-F158 HydrophobicContact CB-CZ 3.96Å; V129-F158 HydrophobicContact CG1-CD1 4.23Å; V129-F158 HydrophobicContact CG1-CD2 3.88Å; V129-F158 HydrophobicContact CG1-CE1 4.14Å; V129-F158 HydrophobicContact CG1-CE2 3.76Å; V129-F158 HydrophobicContact CG1-CG 4.12Å; V129-F158 HydrophobicContact CG1-CZ 3.9Å; V129-F158 HydrophobicContact CG2-CD1 4.48Å; V129-F158 HydrophobicContact CG2-CE1 3.97Å; V129-F158 HydrophobicContact CG2-CZ 4.13Å
130	L	98.1	Very high	92.9	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	133.8	165.1	-71.6	-173	0	0	0	110	F97 L99 E159 F161 T174 R177 L178 I181	F97-L130 PolarHBondContact O-N 3.49Å; L99-L130 PolarHBondContact N-O 2.94Å; L130-E159 HydrophobicContact CD2-CB 3.35Å; L130-E159 HydrophobicContact CD2-CG 4.49Å; L130-F161 HydrophobicContact CD1-CD2 4.44Å; L130-F161 HydrophobicContact CD1-CE2 4.29Å; L130-F161 HydrophobicContact CD2-CE2 4.48Å; L130-T174 HydrophobicContact CD1-CG2 3.99Å; L130-T174 WeakPolarHBondContact CD1-O 3.25Å; L130-R177 HydrophobicContact CD1-CB 4.35Å; L130-L178 HydrophobicContact CD1-CB 3.7Å; L130-L178 HydrophobicContact CG-CB 4.22Å; L130-L178 HydrophobicContact CG-CD1 4.24Å; L130-I181 HydrophobicContact CD2-CD1 3.76Å; L130-I181 HydrophobicContact CG-CD1 4.47Å
131	L	98.7	Very high	93.3	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	131.9	168.6	-176.1	64	0	0	0	109.7	L99 Y101 V112 F158 E159 F160 F161	L99-L131 HydrophobicContact CD2-CD1 4.43Å; L99-L131 HydrophobicContact CG-CD1 4.06Å; L99-L131 CarbonylContact O-C 3.58Å; L99-L131 WeakPolarHBondContact O-CA 3.24Å; Y101-L131 HydrophobicContact CD1-CD1 3.93Å; Y101-L131 HydrophobicContact CD1-CG 4.38Å; Y101-L131 HydrophobicContact CE1-CD1 4.16Å; Y101-L131 HydrophobicContact CE1-CD2 4.28Å; Y101-L131 HydrophobicContact CE1-CG 4.11Å; V112-L131 HydrophobicContact CG1-CD1 3.58Å; V112-L131 HydrophobicContact CG2-CD1 4.06Å; L131-F158 HydrophobicContact CB-CB 4.48Å; L131-E159 PolarHBondContact N-O 2.96Å; L131-F160 HydrophobicContact CB-CD2 4.11Å; L131-F160 HydrophobicContact CD2-CD2 3.94Å; L131-F160 HydrophobicContact CD2-CE2 4.43Å; L131-F160 HydrophobicContact CG-CD2 3.87Å; L131-F160 HydrophobicContact CG-CE2 4.38Å; L131-F160 WeakPolarHBondContact O-CA 3.4Å; L131-F160 WeakPolarHBondContact O-CD2 3.45Å; L131-F161 PolarHBondContact O-N 3.29Å
132	V	98.8	Very high	93.6	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	119	179.4	-177.6	0	0	0	0	110.9	F37 I98 L99 M100 Y101 F161 A163 T174	F37-V132 HydrophobicContact CE2-CG1 4.46Å; F37-V132 HydrophobicContact CZ-CG1 4.46Å; I98-V132 HydrophobicContact CG2-CB 4.34Å; I98-V132 HydrophobicContact CG2-CG2 3.69Å; L99-V132 PolarHBondContact O-N 3.05Å; M100-V132 WeakPolarHBondContact CA-O 3.29Å; M100-V132 HydrophobicContact CE-CG1 4.25Å; M100-V132 HydrophobicContact CG-CB 4.49Å; Y101-V132 WeakPolarHBondContact CD1-O 3.3Å; Y101-V132 PolarHBondContact N-O 3.09Å; V132-F161 CarbonylContact C-O 3.6Å; V132-F161 VanDerWaalsContact CA-O 3.29Å; V132-F161 WeakPolarHBondContact CA-O 3.43Å; V132-A163 HydrophobicContact CG1-CB 3.87Å; V132-T174 HydrophobicContact CG2-CG2 3.64Å
133	G	98.7	Very high	94.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	101.6	164.4	0	0	0	0	0	109.5	Y101 F161 E162 A163	Y101-G133 VanDerWaalsContact CZ-CA 3.49Å; G133-F161 PolarHBondContact N-O 2.97Å; G133-E162 CarbonylContact O-C 3.56Å; G133-E162 VanDerWaalsContact O-CA 3.24Å; G133-E162 WeakPolarHBondContact O-CA 3.43Å; G133-A163 PolarHBondContact O-N 3.02Å
134	N	98.6	Very high	94.6	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.021	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	166.2	-177.9	-169.1	35.5	0	0	0	111.7	V32 M100 Y101 I103 A163 A165	V32-N134 PolarHBondContact O-ND2 3.22Å; M100-N134 HydrophobicContact CE-CB 4.47Å; M100-N134 HydrophobicContact CG-CB 3.8Å; M100-N134 HydrophobicContact SD-CB 3.74Å; Y101-N134 PolarHBondContact O-N 2.9Å; I103-N134 PolarHBondContact N-O 2.84Å; I103-N134 VanDerWaalsContact N-O 3.12Å; N134-A163 CarbonylContact C-O 3.43Å; N134-A163 VanDerWaalsContact CA-O 3.25Å; N134-A163 WeakPolarHBondContact CA-O 3.43Å; N134-A163 PolarHBondContact OD1-O 3.06Å; N134-A165 PolarHBondContact OD1-N 2.99Å
135	K	98.3	Very high	95.7	Very high	49 Å²	49	50.6 Å²	50.6	21%	0.213	27%	0.269	C	S	.	.			trans	68.4	34.5	-178.2	-45.7	-169.5	-166.7	167.5	0	114	S31 D102 I103 D137 M138 A163	S31-K135 WeakPolarHBondContact O-CE 3.42Å; S31-K135 PolarHBondContact O-NZ 2.88Å; D102-K135 WeakPolarHBondContact OD1-CD 3.5Å; D102-K135 WeakPolarHBondContact OD2-CD 3.32Å; D102-K135 WeakPolarHBondContact OD2-CE 3.42Å; D102-K135 IonicContact OD2-NZ 2.8Å; D102-K135 PolarHBondContact OD2-NZ 2.9Å; I103-K135 WeakPolarHBondContact CD1-O 3.3Å; I103-K135 WeakPolarHBondContact CG1-O 3.44Å; K135-D137 WeakPolarHBondContact CA-OD1 3.28Å; K135-D137 PolarHBondContact O-N 2.82Å; K135-M138 HydrophobicContact CB-CG 4.36Å; K135-M138 HydrophobicContact CB-SD 4.1Å; K135-M138 HydrophobicContact CD-SD 3.91Å; K135-M138 WeakPolarHBondContact O-CB 3.45Å; K135-M138 PolarHBondContact O-N 2.85Å; K135-A163 PolarHBondContact N-O 3.29Å
136	C	98.3	Very high	96.9	Very high	22 Å²	22	45.4 Å²	45.4	15%	0.149	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-7.5	175.5	69.8	0	0	0	0	114.7	I103 M138 E162 A163	I103-C136 HydrophobicContact CD1-CB 4.43Å; C136-M138 PolarHBondContact O-N 2.82Å; C136-E162 HydrophobicContact CB-CB 4.09Å; C136-A163 PolarHBondContact N-O 2.89Å; C136-A163 VanDerWaalsContact N-O 3.09Å; C136-A163 PolarHBondContact SG-O 2.87Å; C136-A163 VanDerWaalsContact SG-O 3.34Å
137	D	98.2	Very high	97.7	Very high	39 Å²	39	44.7 Å²	44.7	21%	0.209	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-16.7	167.4	60.9	-79.5	0	0	0	113.5	K135 E139 S164 K166 D167	K135-D137 WeakPolarHBondContact CA-OD1 3.28Å; K135-D137 PolarHBondContact O-N 2.82Å; D137-E139 PolarHBondContact O-N 3.12Å; D137-S164 VanDerWaalsContact CG-OG 3.31Å; D137-S164 VanDerWaalsContact OD1-CB 3.3Å; D137-S164 WeakPolarHBondContact OD1-CB 3.49Å; D137-S164 PolarHBondContact OD1-OG 3.13Å; D137-K166 WeakPolarHBondContact OD2-CD 3.45Å; D137-K166 IonicContact OD2-NZ 3.87Å; D137-K166 PolarHBondContact OD2-NZ 2.66Å; D137-K166 VanDerWaalsContact OD2-NZ 3.12Å; D137-D167 HydrophobicContact CB-CB 4.38Å; D137-D167 VanDerWaalsContact CB-OD2 3.25Å; D137-D167 WeakPolarHBondContact CB-OD2 3.17Å
138	M	97.3	Very high	98	Very high	48 Å²	48	48 Å²	48	24%	0.236	25%	0.249	C	C	.	.			trans	-97.2	49.9	-178.5	-59.2	-178.8	65.5	0	0	111.9	T104 K135 C136 D140 E141 R142	T104-M138 HydrophobicContact CG2-CB 3.68Å; T104-M138 HydrophobicContact CG2-CE 4.21Å; T104-M138 HydrophobicContact CG2-SD 4.26Å; K135-M138 HydrophobicContact CB-CG 4.36Å; K135-M138 HydrophobicContact CB-SD 4.1Å; K135-M138 HydrophobicContact CD-SD 3.91Å; K135-M138 WeakPolarHBondContact O-CB 3.45Å; K135-M138 PolarHBondContact O-N 2.85Å; C136-M138 PolarHBondContact O-N 2.82Å; M138-D140 VanDerWaalsContact C-N 3.28Å; M138-D140 PolarHBondContact O-N 3.23Å; M138-E141 HydrophobicContact CB-CB 4.44Å; M138-E141 HydrophobicContact CE-CB 4.38Å; M138-E141 HydrophobicContact CE-CG 4.37Å; M138-E141 WeakPolarHBondContact CE-OE1 3.12Å; M138-E141 VanDerWaalsContact CE-OE2 3.23Å; M138-E141 WeakPolarHBondContact CE-OE2 3.45Å; M138-E141 PolarHBondContact O-N 2.88Å; M138-R142 PolarHBondContact O-N 2.62Å
139	E	97.2	Very high	98.1	Very high	107 Å²	107	46.2 Å²	46.2	50%	0.5	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-60.1	-36.1	-174.6	-168.7	61	-149	0	0	113	D137 E141 R142	D137-E139 PolarHBondContact O-N 3.12Å; E139-E141 PolarHBondContact O-N 2.93Å; E139-R142 WeakPolarHBondContact O-CB 3.5Å; E139-R142 PolarHBondContact O-N 2.85Å; E139-R142 VanDerWaalsContact O-N 3.16Å; E139-R142 WeakPolarHBondContact OE1-CD 3.45Å; E139-R142 IonicContact OE1-CZ 2.74Å; E139-R142 IonicContact OE1-NE 2.95Å; E139-R142 PolarHBondContact OE1-NE 2.84Å; E139-R142 IonicContact OE1-NH2 3.29Å; E139-R142 IonicContact OE2-CZ 3.56Å; E139-R142 VanDerWaalsContact OE2-CZ 3.25Å; E139-R142 IonicContact OE2-NE 2.7Å; E139-R142 PolarHBondContact OE2-NE 3.26Å; E139-R142 IonicContact OE2-NH2 3.93Å; E139-R142 PolarHBondContact OE2-NH2 3.39Å
140	D	97.9	Very high	98.2	Very high	174 Å²	174	51 Å²	51	93%	0.93	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-66.4	-21.6	178.2	-65.3	-36.3	0	0	0	113.2	M138	M138-D140 VanDerWaalsContact C-N 3.28Å; M138-D140 PolarHBondContact O-N 3.23Å
141	E	98	Very high	98.2	Very high	120 Å²	120	57 Å²	57	56%	0.561	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-104.3	6.7	179	-64.4	179.8	-126	0	0	112.1	T104 M138 E139 V143	T104-E141 HydrophobicContact CG2-CB 3.82Å; M138-E141 HydrophobicContact CB-CB 4.44Å; M138-E141 HydrophobicContact CE-CB 4.38Å; M138-E141 HydrophobicContact CE-CG 4.37Å; M138-E141 WeakPolarHBondContact CE-OE1 3.12Å; M138-E141 VanDerWaalsContact CE-OE2 3.23Å; M138-E141 WeakPolarHBondContact CE-OE2 3.45Å; M138-E141 PolarHBondContact O-N 2.88Å; E139-E141 PolarHBondContact O-N 2.93Å; E141-V143 PolarHBondContact O-N 2.88Å
142	R	98.6	Very high	98.2	Very high	52 Å²	52	58.3 Å²	58.3	20%	0.196	29%	0.292	C	S	.	.			trans	-61.6	126.4	-177.8	179.7	-177.2	-71.1	-86.7	7.5	111	I103 M138 E139 V144 E162	I103-R142 HydrophobicContact CD1-CB 4.24Å; I103-R142 HydrophobicContact CD1-CG 4.24Å; I103-R142 VanDerWaalsContact CD1-CZ 3.44Å; M138-R142 PolarHBondContact O-N 2.62Å; E139-R142 WeakPolarHBondContact O-CB 3.5Å; E139-R142 PolarHBondContact O-N 2.85Å; E139-R142 VanDerWaalsContact O-N 3.16Å; E139-R142 WeakPolarHBondContact OE1-CD 3.45Å; E139-R142 IonicContact OE1-CZ 2.74Å; E139-R142 IonicContact OE1-NE 2.95Å; E139-R142 PolarHBondContact OE1-NE 2.84Å; E139-R142 IonicContact OE1-NH2 3.29Å; E139-R142 IonicContact OE2-CZ 3.56Å; E139-R142 VanDerWaalsContact OE2-CZ 3.25Å; E139-R142 IonicContact OE2-NE 2.7Å; E139-R142 PolarHBondContact OE2-NE 3.26Å; E139-R142 IonicContact OE2-NH2 3.93Å; E139-R142 PolarHBondContact OE2-NH2 3.39Å; R142-V144 WeakPolarHBondContact CD-O 3.46Å; R142-V144 WeakPolarHBondContact CG-O 2.85Å; R142-V144 PolarHBondContact NH1-O 3.19Å; R142-E162 IonicContact CZ-OE1 3.23Å; R142-E162 IonicContact CZ-OE2 3.8Å; R142-E162 IonicContact NH1-OE1 3.99Å; R142-E162 PolarHBondContact NH1-OE1 2.98Å; R142-E162 IonicContact NH1-OE2 2.85Å; R142-E162 PolarHBondContact NH1-OE2 3.39Å; R142-E162 IonicContact NH2-OE1 2.66Å; R142-E162 IonicContact NH2-OE2 3.12Å; R142-E162 PolarHBondContact NH2-OE2 3.34Å
143	V	98.5	Very high	98.1	Very high	77 Å²	77	58.5 Å²	58.5	47%	0.467	29%	0.293	S	S	.	.			trans	-114.6	-21.7	170.6	-54.6	0	0	0	0	112.2	I103 T104 E106 E141	I103-V143 PolarHBondContact O-N 2.84Å; T104-V143 VanDerWaalsContact C-CG2 3.44Å; T104-V143 WeakPolarHBondContact O-CG2 3.25Å; E106-V143 HydrophobicContact CB-CG2 4.12Å; E141-V143 PolarHBondContact O-N 2.88Å
144	V	98.4	Very high	98.1	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.323	C	S	.	.	S	Bend	trans	-104.1	111.6	175.2	-171.2	0	0	0	0	109.4	Y101 I103 F109 R142 R148	Y101-V144 HydrophobicContact CE2-CB 4.1Å; Y101-V144 HydrophobicContact CE2-CG1 3.79Å; Y101-V144 HydrophobicContact CE2-CG2 4.36Å; I103-V144 PolarHBondContact O-N 3.33Å; F109-V144 HydrophobicContact CB-CG1 4.36Å; F109-V144 HydrophobicContact CB-CG2 3.82Å; F109-V144 HydrophobicContact CD1-CG1 4.25Å; F109-V144 HydrophobicContact CD2-CG1 3.73Å; F109-V144 HydrophobicContact CE2-CG1 4.01Å; F109-V144 HydrophobicContact CG-CG1 3.84Å; F109-V144 HydrophobicContact CG-CG2 4.17Å; F109-V144 HydrophobicContact CZ-CG1 4.4Å; R142-V144 WeakPolarHBondContact CD-O 3.46Å; R142-V144 WeakPolarHBondContact CG-O 2.85Å; R142-V144 PolarHBondContact NH1-O 3.19Å; V144-R148 HydrophobicContact CG1-CB 4.31Å
145	A	98.4	Very high	98	Very high	48 Å²	48	71.4 Å²	71.4	40%	0.397	35%	0.353	S	S	.	.			trans	-65.1	140.8	173.9	0	0	0	0	0	111.2	D147 R148 G149	A145-D147 PolarHBondContact O-N 3.25Å; A145-D147 VanDerWaalsContact O-N 3.13Å; A145-R148 HydrophobicContact CB-CG 4.45Å; A145-R148 WeakPolarHBondContact O-CB 3.28Å; A145-R148 PolarHBondContact O-N 3.48Å; A145-G149 PolarHBondContact O-N 3.06Å
146	A	97.7	Very high	97.9	Very high	28 Å²	28	70 Å²	70	23%	0.231	35%	0.348	C	S	.	.	H	α-helix	trans	-54.2	-35.5	179.1	0	0	0	0	0	112.9	R148 G149 R150 E162	A146-R148 VanDerWaalsContact C-N 3.31Å; A146-R148 PolarHBondContact O-N 3.35Å; A146-G149 PolarHBondContact O-N 3.36Å; A146-G149 VanDerWaalsContact O-N 3.17Å; A146-R150 PolarHBondContact O-N 3.23Å; A146-E162 VanDerWaalsContact CA-OE1 3.31Å; A146-E162 WeakPolarHBondContact CA-OE1 3.2Å; A146-E162 WeakPolarHBondContact CB-OE1 3.23Å
147	D	98.3	Very high	97.7	Very high	94 Å²	94	72.1 Å²	72.1	50%	0.503	37%	0.374	S	S	.	.	H	α-helix	trans	-65.1	-31.7	177.2	-70.7	-18.8	0	0	0	113	A145 R150 Q151	A145-D147 PolarHBondContact O-N 3.25Å; A145-D147 VanDerWaalsContact O-N 3.13Å; D147-R150 PolarHBondContact O-N 2.55Å; D147-R150 IonicContact OD1-CZ 2.77Å; D147-R150 IonicContact OD1-NH1 3.78Å; D147-R150 PolarHBondContact OD1-NH1 3.24Å; D147-Q151 WeakPolarHBondContact O-CB 3.41Å; D147-Q151 WeakPolarHBondContact O-CG 3.39Å; D147-Q151 PolarHBondContact O-N 2.97Å
148	R	98.2	Very high	97.6	Very high	92 Å²	92	71.7 Å²	71.7	35%	0.347	37%	0.37	S	S	.	.	H	α-helix	trans	-67.3	-40	173.1	-69.3	-175.9	67.8	-159.7	-1.3	111	E106 F109 V144 A145 A146 L152	E106-R148 IonicContact OE1-CZ 2.67Å; E106-R148 VanDerWaalsContact OE1-CZ 3.23Å; E106-R148 IonicContact OE1-NH1 3.79Å; E106-R148 PolarHBondContact OE1-NH1 2.81Å; E106-R148 IonicContact OE1-NH2 3.13Å; E106-R148 PolarHBondContact OE1-NH2 3.26Å; E106-R148 IonicContact OE2-CZ 3.86Å; E106-R148 IonicContact OE2-NH1 2.83Å; E106-R148 PolarHBondContact OE2-NH1 2.7Å; F109-R148 HydrophobicContact CE1-CB 4.4Å; F109-R148 HydrophobicContact CZ-CB 3.98Å; V144-R148 HydrophobicContact CG1-CB 4.31Å; A145-R148 HydrophobicContact CB-CG 4.45Å; A145-R148 WeakPolarHBondContact O-CB 3.28Å; A145-R148 PolarHBondContact O-N 3.48Å; A146-R148 VanDerWaalsContact C-N 3.31Å; A146-R148 PolarHBondContact O-N 3.35Å; R148-L152 WeakPolarHBondContact O-CB 3.33Å; R148-L152 PolarHBondContact O-N 3.41Å
149	G	98	Very high	97.6	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-57.2	-48.4	172.1	0	0	0	0	0	112.3	A145 A146 L152 S153	A145-G149 PolarHBondContact O-N 3.06Å; A146-G149 PolarHBondContact O-N 3.36Å; A146-G149 VanDerWaalsContact O-N 3.17Å; G149-L152 PolarHBondContact O-N 2.91Å; G149-S153 PolarHBondContact O-N 3.12Å
150	R	98.3	Very high	97.7	Very high	116 Å²	116	69.6 Å²	69.6	44%	0.438	36%	0.359	S	S	.	.	H	α-helix	trans	-64.6	-45.8	178.4	-167.1	-179.8	-60.9	112.5	5.6	112.7	A146 D147 L152 S153 E154 F160	A146-R150 PolarHBondContact O-N 3.23Å; D147-R150 PolarHBondContact O-N 2.55Å; D147-R150 IonicContact OD1-CZ 2.77Å; D147-R150 IonicContact OD1-NH1 3.78Å; D147-R150 PolarHBondContact OD1-NH1 3.24Å; R150-L152 VanDerWaalsContact C-N 3.33Å; R150-L152 PolarHBondContact O-N 3.13Å; R150-S153 PolarHBondContact O-N 2.78Å; R150-S153 PolarHBondContact O-OG 2.85Å; R150-E154 WeakPolarHBondContact O-CG 3.39Å; R150-E154 PolarHBondContact O-N 3.26Å; R150-F160 HydrophobicContact CB-CD1 4.09Å; R150-F160 HydrophobicContact CB-CE1 4.48Å
151	Q	98.5	Very high	97.7	Very high	126 Å²	126	63.4 Å²	63.4	59%	0.589	32%	0.324	S	S	*	.	H	α-helix	trans	-61.6	-41.7	177.1	-73.7	169.9	12.4	0	0	111.8	D147 H155	D147-Q151 WeakPolarHBondContact O-CB 3.41Å; D147-Q151 WeakPolarHBondContact O-CG 3.39Å; D147-Q151 PolarHBondContact O-N 2.97Å; Q151-H155 WeakPolarHBondContact O-CB 3.21Å; Q151-H155 PolarHBondContact O-N 2.91Å
152	L	98.1	Very high	97.8	Very high	28 Å²	28	59.3 Å²	59.3	15%	0.147	31%	0.305	C	S	.	.	H	α-helix	trans	-66	-41.9	177.3	-178.9	60.7	0	0	0	111.5	F109 V112 R148 G149 R150 H155 L156	F109-L152 HydrophobicContact CD2-CD2 4.18Å; F109-L152 HydrophobicContact CE1-CD2 4.29Å; F109-L152 HydrophobicContact CE2-CB 4.17Å; F109-L152 HydrophobicContact CE2-CD2 3.48Å; F109-L152 VanDerWaalsContact CE2-CD2 3.48Å; F109-L152 HydrophobicContact CE2-CG 4.48Å; F109-L152 HydrophobicContact CZ-CB 3.93Å; F109-L152 HydrophobicContact CZ-CD2 3.56Å; F109-L152 HydrophobicContact CZ-CG 4.36Å; V112-L152 HydrophobicContact CB-CD2 3.93Å; V112-L152 HydrophobicContact CG1-CD2 3.69Å; V112-L152 HydrophobicContact CG1-CG 4.47Å; R148-L152 WeakPolarHBondContact O-CB 3.33Å; R148-L152 PolarHBondContact O-N 3.41Å; G149-L152 PolarHBondContact O-N 2.91Å; R150-L152 VanDerWaalsContact C-N 3.33Å; R150-L152 PolarHBondContact O-N 3.13Å; L152-H155 PolarHBondContact O-N 3.17Å; L152-L156 HydrophobicContact CD1-CD1 3.88Å; L152-L156 HydrophobicContact CD1-CG 4.08Å; L152-L156 HydrophobicContact CG-CD1 3.9Å; L152-L156 HydrophobicContact CG-CG 4.43Å; L152-L156 WeakPolarHBondContact O-CB 3.13Å; L152-L156 VanDerWaalsContact O-CG 3.28Å; L152-L156 WeakPolarHBondContact O-CG 3.23Å; L152-L156 PolarHBondContact O-N 3.4Å
153	S	97.6	Very high	97.8	Very high	4 Å²	4	56.9 Å²	56.9	3%	0.028	30%	0.296	C	S	.	.	H	α-helix	trans	-64.5	-42.9	178.3	73.3	0	0	0	0	111.8	G149 R150 H155 L156 G157 F158 F160	G149-S153 PolarHBondContact O-N 3.12Å; R150-S153 PolarHBondContact O-N 2.78Å; R150-S153 PolarHBondContact O-OG 2.85Å; S153-H155 VanDerWaalsContact C-N 3.34Å; S153-H155 PolarHBondContact O-N 2.88Å; S153-L156 CarbonylContact O-C 3.57Å; S153-L156 PolarHBondContact O-N 3.39Å; S153-G157 PolarHBondContact O-N 3.29Å; S153-F158 CarbonylContact C-O 3.53Å; S153-F158 VanDerWaalsContact CB-O 3.26Å; S153-F158 WeakPolarHBondContact CB-O 3.21Å; S153-F158 PolarHBondContact O-N 3.43Å; S153-F158 PolarHBondContact OG-O 3.16Å; S153-F160 VanDerWaalsContact OG-CB 3.27Å; S153-F160 WeakPolarHBondContact OG-CB 3.34Å
154	E	97.6	Very high	97.8	Very high	132 Å²	132	53.2 Å²	53.2	62%	0.617	27%	0.274	S	S	*	.	H	α-helix	trans	-58.4	-45.8	174.2	-73.8	170.7	-171.6	0	0	111.5	R150 L156 G157	R150-E154 WeakPolarHBondContact O-CG 3.39Å; R150-E154 PolarHBondContact O-N 3.26Å; E154-L156 VanDerWaalsContact C-N 3.3Å; E154-L156 PolarHBondContact O-N 3Å; E154-G157 PolarHBondContact O-N 3.43Å
155	H	97	Very high	97.7	Very high	144 Å²	144	53.3 Å²	53.3	67%	0.667	28%	0.275	S	S	*	.	H	α-helix	trans	-62.5	-36.6	177.3	-177.3	69.8	0	0	0	112.8	Q151 L152 S153	Q151-H155 WeakPolarHBondContact O-CB 3.21Å; Q151-H155 PolarHBondContact O-N 2.91Å; L152-H155 PolarHBondContact O-N 3.17Å; S153-H155 VanDerWaalsContact C-N 3.34Å; S153-H155 PolarHBondContact O-N 2.88Å
156	L	95.3	Very high	97.7	Very high	18 Å²	18	55.8 Å²	55.8	9%	0.094	28%	0.277	C	S	.	.	H	α-helix	trans	-83.8	-13.1	179.2	-65.4	176.3	0	0	0	113.5	V112 L152 S153 E154 F158	V112-L156 HydrophobicContact CG1-CD1 3.99Å; L152-L156 HydrophobicContact CD1-CD1 3.88Å; L152-L156 HydrophobicContact CD1-CG 4.08Å; L152-L156 HydrophobicContact CG-CD1 3.9Å; L152-L156 HydrophobicContact CG-CG 4.43Å; L152-L156 WeakPolarHBondContact O-CB 3.13Å; L152-L156 VanDerWaalsContact O-CG 3.28Å; L152-L156 WeakPolarHBondContact O-CG 3.23Å; L152-L156 PolarHBondContact O-N 3.4Å; S153-L156 CarbonylContact O-C 3.57Å; S153-L156 PolarHBondContact O-N 3.39Å; E154-L156 VanDerWaalsContact C-N 3.3Å; E154-L156 PolarHBondContact O-N 3Å; L156-F158 HydrophobicContact CB-CD1 4.4Å; L156-F158 HydrophobicContact CB-CD2 3.64Å; L156-F158 HydrophobicContact CB-CE1 4.4Å; L156-F158 HydrophobicContact CB-CE2 3.68Å; L156-F158 HydrophobicContact CB-CG 4.03Å; L156-F158 HydrophobicContact CB-CZ 4.07Å; L156-F158 HydrophobicContact CD1-CD2 4.01Å; L156-F158 HydrophobicContact CD1-CE2 3.81Å; L156-F158 HydrophobicContact CG-CD2 4.49Å; L156-F158 HydrophobicContact CG-CE2 4.32Å; L156-F158 WeakPolarHBondContact O-CE1 3.38Å
157	G	95.5	Very high	97.7	Very high	68 Å²	68	58.8 Å²	58.8	70%	0.701	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	30.9	-175	0	0	0	0	0	113.7	S153 E154	S153-G157 PolarHBondContact O-N 3.29Å; E154-G157 PolarHBondContact O-N 3.43Å
158	F	96.4	Very high	97.6	Very high	30 Å²	30	57.7 Å²	57.7	13%	0.132	28%	0.283	C	S	.	.			trans	-110.4	150.7	-179.1	-54.5	-23.4	0	0	0	111	L99 S116 V129 L131 S153 L156	L99-F158 HydrophobicContact CD2-CE2 4.31Å; S116-F158 VanDerWaalsContact OG-CZ 3.3Å; S116-F158 WeakPolarHBondContact OG-CZ 3.41Å; V129-F158 HydrophobicContact CB-CD1 3.76Å; V129-F158 HydrophobicContact CB-CD2 4.34Å; V129-F158 HydrophobicContact CB-CE1 3.71Å; V129-F158 HydrophobicContact CB-CE2 4.27Å; V129-F158 HydrophobicContact CB-CG 4.1Å; V129-F158 HydrophobicContact CB-CZ 3.96Å; V129-F158 HydrophobicContact CG1-CD1 4.23Å; V129-F158 HydrophobicContact CG1-CD2 3.88Å; V129-F158 HydrophobicContact CG1-CE1 4.14Å; V129-F158 HydrophobicContact CG1-CE2 3.76Å; V129-F158 HydrophobicContact CG1-CG 4.12Å; V129-F158 HydrophobicContact CG1-CZ 3.9Å; V129-F158 HydrophobicContact CG2-CD1 4.48Å; V129-F158 HydrophobicContact CG2-CE1 3.97Å; V129-F158 HydrophobicContact CG2-CZ 4.13Å; L131-F158 HydrophobicContact CB-CB 4.48Å; S153-F158 CarbonylContact C-O 3.53Å; S153-F158 VanDerWaalsContact CB-O 3.26Å; S153-F158 WeakPolarHBondContact CB-O 3.21Å; S153-F158 PolarHBondContact O-N 3.43Å; S153-F158 PolarHBondContact OG-O 3.16Å; L156-F158 HydrophobicContact CB-CD1 4.4Å; L156-F158 HydrophobicContact CB-CD2 3.64Å; L156-F158 HydrophobicContact CB-CE1 4.4Å; L156-F158 HydrophobicContact CB-CE2 3.68Å; L156-F158 HydrophobicContact CB-CG 4.03Å; L156-F158 HydrophobicContact CB-CZ 4.07Å; L156-F158 HydrophobicContact CD1-CD2 4.01Å; L156-F158 HydrophobicContact CD1-CE2 3.81Å; L156-F158 HydrophobicContact CG-CD2 4.49Å; L156-F158 HydrophobicContact CG-CE2 4.32Å; L156-F158 WeakPolarHBondContact O-CE1 3.38Å
159	E	97.3	Very high	97.7	Very high	73 Å²	73	56.5 Å²	56.5	34%	0.341	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	152.9	163.4	-81.8	-178.3	-137.3	0	0	110.7	L130 L131 R177	L130-E159 HydrophobicContact CD2-CB 3.35Å; L130-E159 HydrophobicContact CD2-CG 4.49Å; L131-E159 PolarHBondContact N-O 2.96Å; E159-R177 IonicContact OE1-CZ 4Å; E159-R177 VanDerWaalsContact OE1-CZ 3.29Å; E159-R177 IonicContact OE1-NE 2.82Å; E159-R177 PolarHBondContact OE1-NE 3Å; E159-R177 VanDerWaalsContact OE1-NE 3.13Å; E159-R177 IonicContact OE1-NH2 3.02Å; E159-R177 PolarHBondContact OE1-NH2 3.28Å; E159-R177 VanDerWaalsContact OE2-CG 3.3Å; E159-R177 WeakPolarHBondContact OE2-CG 3.21Å; E159-R177 IonicContact OE2-CZ 2.7Å; E159-R177 IonicContact OE2-NE 3.83Å; E159-R177 PolarHBondContact OE2-NE 3.17Å; E159-R177 IonicContact OE2-NH2 2.94Å
160	F	98.4	Very high	97.7	Very high	37 Å²	37	58.9 Å²	58.9	16%	0.162	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135.9	-171.9	174.2	-117	0	0	0	113.1	Y101 L131 R150 S153 E162	Y101-F160 AromaticContact CE1-CE2 3.91Å; Y101-F160 HydrophobicContact CE1-CE2 3.91Å; Y101-F160 WeakPolarHBondContact OH-CE2 3.28Å; Y101-F160 WeakPolarHBondContact OH-CZ 3.46Å; L131-F160 HydrophobicContact CB-CD2 4.11Å; L131-F160 HydrophobicContact CD2-CD2 3.94Å; L131-F160 HydrophobicContact CD2-CE2 4.43Å; L131-F160 HydrophobicContact CG-CD2 3.87Å; L131-F160 HydrophobicContact CG-CE2 4.38Å; L131-F160 WeakPolarHBondContact O-CA 3.4Å; L131-F160 WeakPolarHBondContact O-CD2 3.45Å; R150-F160 HydrophobicContact CB-CD1 4.09Å; R150-F160 HydrophobicContact CB-CE1 4.48Å; S153-F160 VanDerWaalsContact OG-CB 3.27Å; S153-F160 WeakPolarHBondContact OG-CB 3.34Å; F160-E162 HydrophobicContact CE1-CG 3.96Å; F160-E162 HydrophobicContact CE2-CG 4.4Å; F160-E162 HydrophobicContact CZ-CG 3.51Å
161	F	98.4	Very high	97.7	Very high	45 Å²	45	53.4 Å²	53.4	20%	0.197	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	143.7	169.6	-71.3	-93.5	0	0	0	110.6	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 4.48Å; L131-F161 PolarHBondContact O-N 3.29Å; V132-F161 CarbonylContact C-O 3.6Å; V132-F161 VanDerWaalsContact CA-O 3.29Å; V132-F161 WeakPolarHBondContact CA-O 3.43Å; G133-F161 PolarHBondContact N-O 2.97Å; F161-N170 HydrophobicContact CD1-CB 4.3Å; F161-Q173 HydrophobicContact CE1-CB 4.42Å; F161-R177 HydrophobicContact CE2-CB 4.18Å; F161-R177 HydrophobicContact CE2-CG 4.08Å; F161-R177 HydrophobicContact CZ-CB 4.1Å; F161-R177 HydrophobicContact CZ-CG 4.16Å
162	E	98.6	Very high	97.6	Very high	34 Å²	34	52.7 Å²	52.7	16%	0.159	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	140.1	152.8	-68.9	-160.9	156.2	0	0	109.6	G133 C136 R142 A146 F160 N170	G133-E162 CarbonylContact O-C 3.56Å; G133-E162 VanDerWaalsContact O-CA 3.24Å; G133-E162 WeakPolarHBondContact O-CA 3.43Å; C136-E162 HydrophobicContact CB-CB 4.09Å; R142-E162 IonicContact CZ-OE1 3.23Å; R142-E162 IonicContact CZ-OE2 3.8Å; R142-E162 IonicContact NH1-OE1 3.99Å; R142-E162 PolarHBondContact NH1-OE1 2.98Å; R142-E162 IonicContact NH1-OE2 2.85Å; R142-E162 PolarHBondContact NH1-OE2 3.39Å; R142-E162 IonicContact NH2-OE1 2.66Å; R142-E162 IonicContact NH2-OE2 3.12Å; R142-E162 PolarHBondContact NH2-OE2 3.34Å; A146-E162 VanDerWaalsContact CA-OE1 3.31Å; A146-E162 WeakPolarHBondContact CA-OE1 3.2Å; A146-E162 WeakPolarHBondContact CB-OE1 3.23Å; F160-E162 HydrophobicContact CE1-CG 3.96Å; F160-E162 HydrophobicContact CE2-CG 4.4Å; F160-E162 HydrophobicContact CZ-CG 3.51Å; E162-N170 WeakPolarHBondContact O-CB 3.36Å; E162-N170 PolarHBondContact O-ND2 2.98Å
163	A	98.7	Very high	97.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	161.5	-173.7	0	0	0	0	0	112.3	F37 V132 G133 N134 K135 C136 I169 N170	F37-A163 HydrophobicContact CE2-CB 3.62Å; F37-A163 HydrophobicContact CZ-CB 4.16Å; V132-A163 HydrophobicContact CG1-CB 3.87Å; G133-A163 PolarHBondContact O-N 3.02Å; N134-A163 CarbonylContact C-O 3.43Å; N134-A163 VanDerWaalsContact CA-O 3.25Å; N134-A163 WeakPolarHBondContact CA-O 3.43Å; N134-A163 PolarHBondContact OD1-O 3.06Å; K135-A163 PolarHBondContact N-O 3.29Å; C136-A163 PolarHBondContact N-O 2.89Å; C136-A163 VanDerWaalsContact N-O 3.09Å; C136-A163 PolarHBondContact SG-O 2.87Å; C136-A163 VanDerWaalsContact SG-O 3.34Å; A163-I169 CarbonylContact C-O 3.47Å; A163-I169 VanDerWaalsContact CA-O 3.25Å; A163-I169 WeakPolarHBondContact CA-O 3.4Å; A163-I169 VanDerWaalsContact CB-O 3.27Å; A163-I169 WeakPolarHBondContact CB-O 3.3Å; A163-N170 HydrophobicContact CB-CB 4.03Å
164	S	98.4	Very high	97.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-134.6	115.8	171.9	174.8	0	0	0	0	109.6	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 3.49Å; D137-S164 PolarHBondContact OD1-OG 3.13Å; S164-K166 PolarHBondContact O-N 3.12Å; S164-K166 PolarHBondContact OG-N 3.18Å; S164-D167 PolarHBondContact OG-N 2.97Å; S164-N168 CarbonylContact O-C 3.48Å; S164-N168 WeakPolarHBondContact O-CA 3.42Å; S164-N168 PolarHBondContact O-N 3.28Å; S164-I169 PolarHBondContact N-O 3.42Å; S164-I169 PolarHBondContact O-N 2.95Å; S164-V171 WeakPolarHBondContact O-CG2 3.44Å
165	A	97.6	Very high	97.7	Very high	3 Å²	3	49.1 Å²	49.1	3%	0.025	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-31.9	168.9	0	0	0	0	0	112.3	F37 R40 F46 N134	F37-A165 HydrophobicContact CB-CB 4.34Å; F37-A165 HydrophobicContact CD2-CB 4.17Å; R40-A165 HydrophobicContact CB-CB 4.47Å; R40-A165 WeakPolarHBondContact CG-O 3.43Å; R40-A165 PolarHBondContact NE-O 3.24Å; F46-A165 HydrophobicContact CD2-CB 4.31Å; F46-A165 HydrophobicContact CE2-CB 4.43Å; N134-A165 PolarHBondContact OD1-N 2.99Å
166	K	97.1	Very high	97.6	Very high	100 Å²	100	44.2 Å²	44.2	44%	0.435	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-55.3	-178.3	-178.9	-162.7	178.1	-174	0	110.7	R40 F46 D137 S164 N168	R40-K166 PolarHBondContact NH2-O 2.66Å; F46-K166 HydrophobicContact CD1-CB 4.41Å; F46-K166 HydrophobicContact CD1-CG 4.18Å; F46-K166 HydrophobicContact CD2-CB 4.28Å; F46-K166 HydrophobicContact CE1-CB 4.02Å; F46-K166 HydrophobicContact CE1-CG 3.75Å; F46-K166 HydrophobicContact CE2-CB 3.88Å; F46-K166 HydrophobicContact CZ-CB 3.74Å; F46-K166 HydrophobicContact CZ-CG 3.94Å; D137-K166 WeakPolarHBondContact OD2-CD 3.45Å; D137-K166 IonicContact OD2-NZ 3.87Å; D137-K166 PolarHBondContact OD2-NZ 2.66Å; D137-K166 VanDerWaalsContact OD2-NZ 3.12Å; S164-K166 PolarHBondContact O-N 3.12Å; S164-K166 PolarHBondContact OG-N 3.18Å; K166-N168 VanDerWaalsContact C-N 3.32Å
167	D	97.9	Very high	97.8	Very high	91 Å²	91	46.3 Å²	46.3	49%	0.487	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	3.1	-175.3	-68.7	2.4	0	0	0	112.7	D137 S164 I169	D137-D167 HydrophobicContact CB-CB 4.38Å; D137-D167 VanDerWaalsContact CB-OD2 3.25Å; D137-D167 WeakPolarHBondContact CB-OD2 3.17Å; S164-D167 PolarHBondContact OG-N 2.97Å; D167-I169 VanDerWaalsContact C-N 3.28Å; D167-I169 HydrophobicContact CB-CD1 3.93Å; D167-I169 HydrophobicContact CB-CG1 3.98Å; D167-I169 PolarHBondContact O-N 2.86Å
168	N	97.7	Very high	97.9	Very high	70 Å²	70	43.1 Å²	43.1	37%	0.374	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	35.7	-178.9	-162.8	23	0	0	0	113.7	R40 S164 K166	R40-N168 WeakPolarHBondContact CD-OD1 3.42Å; R40-N168 HydrophobicContact CG-CB 4.35Å; R40-N168 WeakPolarHBondContact CG-OD1 3.38Å; S164-N168 CarbonylContact O-C 3.48Å; S164-N168 WeakPolarHBondContact O-CA 3.42Å; S164-N168 PolarHBondContact O-N 3.28Å; K166-N168 VanDerWaalsContact C-N 3.32Å
169	I	98.6	Very high	97.9	Very high	68 Å²	68	41.7 Å²	41.7	35%	0.349	20%	0.196	S	C	.	.	B	Isolated β-bridge	trans	-85.3	125.2	178.1	-59.5	170.8	0	0	0	108.6	A163 S164 D167 V171	A163-I169 CarbonylContact C-O 3.47Å; A163-I169 VanDerWaalsContact CA-O 3.25Å; A163-I169 WeakPolarHBondContact CA-O 3.4Å; A163-I169 VanDerWaalsContact CB-O 3.27Å; A163-I169 WeakPolarHBondContact CB-O 3.3Å; S164-I169 PolarHBondContact N-O 3.42Å; S164-I169 PolarHBondContact O-N 2.95Å; D167-I169 VanDerWaalsContact C-N 3.28Å; D167-I169 HydrophobicContact CB-CD1 3.93Å; D167-I169 HydrophobicContact CB-CG1 3.98Å; D167-I169 PolarHBondContact O-N 2.86Å; I169-V171 PolarHBondContact O-N 3.33Å
170	N	98.4	Very high	97.8	Very high	50 Å²	50	40.7 Å²	40.7	27%	0.267	19%	0.193	S	C	.	.	S	Bend	trans	57	8	176.4	-66.2	-28.5	0	0	0	116.7	F161 E162 A163 Q173 T174	F161-N170 HydrophobicContact CD1-CB 4.3Å; E162-N170 WeakPolarHBondContact O-CB 3.36Å; E162-N170 PolarHBondContact O-ND2 2.98Å; A163-N170 HydrophobicContact CB-CB 4.03Å; N170-Q173 VanDerWaalsContact CA-OE1 3.28Å; N170-Q173 PolarHBondContact O-N 2.92Å; N170-T174 WeakPolarHBondContact O-CB 3.5Å; N170-T174 PolarHBondContact O-N 3.19Å; N170-T174 PolarHBondContact O-OG1 3.49Å
171	V	98.3	Very high	97.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.1	-55.5	-177.7	-179.5	0	0	0	0	110.8	F37 R40 S164 I169 Q173 T174 F175	F37-V171 HydrophobicContact CD1-CG1 4.3Å; F37-V171 HydrophobicContact CD2-CG1 4.33Å; F37-V171 HydrophobicContact CD2-CG2 4.06Å; F37-V171 HydrophobicContact CE1-CG1 4.11Å; F37-V171 HydrophobicContact CE2-CB 4.14Å; F37-V171 HydrophobicContact CE2-CG1 4.13Å; F37-V171 HydrophobicContact CE2-CG2 3.69Å; F37-V171 HydrophobicContact CG-CG1 4.41Å; F37-V171 HydrophobicContact CZ-CB 4.17Å; F37-V171 HydrophobicContact CZ-CG1 4.02Å; F37-V171 HydrophobicContact CZ-CG2 4.24Å; R40-V171 HydrophobicContact CB-CG1 4.25Å; R40-V171 HydrophobicContact CG-CB 4.19Å; R40-V171 HydrophobicContact CG-CG1 3.93Å; R40-V171 HydrophobicContact CG-CG2 3.89Å; S164-V171 WeakPolarHBondContact O-CG2 3.44Å; I169-V171 PolarHBondContact O-N 3.33Å; V171-Q173 PolarHBondContact O-N 2.9Å; V171-T174 PolarHBondContact O-N 2.96Å; V171-F175 HydrophobicContact CG1-CE2 4.39Å; V171-F175 VanDerWaalsContact O-CD2 3.27Å; V171-F175 WeakPolarHBondContact O-CD2 3.29Å
172	K	97.1	Very high	97.5	Very high	112 Å²	112	37.9 Å²	37.9	49%	0.487	18%	0.182	S	C	.	.	H	α-helix	trans	-62.8	-44.1	178.9	-178.6	171.8	177.1	-81.9	0	111.1	T174 F175 E176	K172-T174 VanDerWaalsContact C-N 3.32Å; K172-T174 PolarHBondContact O-N 3.37Å; K172-F175 PolarHBondContact O-N 3.39Å; K172-F175 VanDerWaalsContact O-N 3.15Å; K172-E176 WeakPolarHBondContact CE-OE1 3.37Å; K172-E176 HydrophobicContact CG-CG 4.03Å; K172-E176 IonicContact NZ-OE1 3.73Å; K172-E176 PolarHBondContact NZ-OE1 3.23Å; K172-E176 IonicContact NZ-OE2 2.7Å; K172-E176 PolarHBondContact NZ-OE2 3.38Å; K172-E176 VanDerWaalsContact O-CG 3.27Å; K172-E176 WeakPolarHBondContact O-CG 3.48Å; K172-E176 PolarHBondContact O-N 3.39Å
173	Q	98.1	Very high	97.3	Very high	89 Å²	89	37.4 Å²	37.4	42%	0.416	18%	0.182	S	C	.	.	H	α-helix	trans	-57.5	-42.4	-179	-66.5	85.6	-28.3	0	0	111.9	F161 N170 V171 F175 E176 R177	F161-Q173 HydrophobicContact CE1-CB 4.42Å; N170-Q173 VanDerWaalsContact CA-OE1 3.28Å; N170-Q173 PolarHBondContact O-N 2.92Å; V171-Q173 PolarHBondContact O-N 2.9Å; Q173-F175 PolarHBondContact O-N 2.79Å; Q173-E176 PolarHBondContact O-N 2.86Å; Q173-R177 WeakPolarHBondContact O-CB 3.48Å; Q173-R177 PolarHBondContact O-N 3.24Å
174	T	98.5	Very high	96.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.6	-48.7	175.6	-65.3	0	0	0	0	111.9	F37 I98 L130 V132 N170 V171 K172 L178	F37-T174 HydrophobicContact CE1-CG2 4.21Å; F37-T174 HydrophobicContact CZ-CG2 4.24Å; I98-T174 HydrophobicContact CD1-CG2 4.02Å; I98-T174 HydrophobicContact CG1-CG2 4.31Å; I98-T174 HydrophobicContact CG2-CG2 4.29Å; L130-T174 HydrophobicContact CD1-CG2 3.99Å; L130-T174 WeakPolarHBondContact CD1-O 3.25Å; V132-T174 HydrophobicContact CG2-CG2 3.64Å; N170-T174 WeakPolarHBondContact O-CB 3.5Å; N170-T174 PolarHBondContact O-N 3.19Å; N170-T174 PolarHBondContact O-OG1 3.49Å; V171-T174 PolarHBondContact O-N 2.96Å; K172-T174 VanDerWaalsContact C-N 3.32Å; K172-T174 PolarHBondContact O-N 3.37Å; T174-L178 WeakPolarHBondContact O-CB 3.36Å; T174-L178 PolarHBondContact O-N 3.19Å
175	F	97.9	Very high	96.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.3	-41.6	179.2	-75.7	-82.7	0	0	0	112.1	I26 F37 Y41 I74 I98 V171 K172 Q173 L178 V179	I26-F175 HydrophobicContact CD1-CE1 4.49Å; I26-F175 HydrophobicContact CD1-CZ 3.95Å; F37-F175 AromaticContact CD1-CE2 3.57Å; F37-F175 HydrophobicContact CD1-CE2 3.57Å; F37-F175 AromaticContact CD1-CZ 3.99Å; F37-F175 HydrophobicContact CD1-CZ 3.99Å; F37-F175 HydrophobicContact CE1-CD2 4.08Å; F37-F175 AromaticContact CE1-CE2 3.41Å; F37-F175 HydrophobicContact CE1-CE2 3.41Å; F37-F175 VanDerWaalsContact CE1-CE2 3.41Å; F37-F175 HydrophobicContact CE1-CZ 4.1Å; Y41-F175 AromaticContact CD1-CD1 3.96Å; Y41-F175 HydrophobicContact CD1-CD1 3.96Å; Y41-F175 AromaticContact CD1-CD2 3.68Å; Y41-F175 HydrophobicContact CD1-CD2 3.68Å; Y41-F175 HydrophobicContact CD1-CE1 4.03Å; Y41-F175 AromaticContact CD1-CE2 3.77Å; Y41-F175 HydrophobicContact CD1-CE2 3.77Å; Y41-F175 AromaticContact CD1-CG 3.79Å; Y41-F175 HydrophobicContact CD1-CG 3.79Å; Y41-F175 AromaticContact CD1-CZ 3.94Å; Y41-F175 HydrophobicContact CD1-CZ 3.94Å; Y41-F175 HydrophobicContact CD2-CB 4.08Å; Y41-F175 AromaticContact CD2-CD2 3.42Å; Y41-F175 HydrophobicContact CD2-CD2 3.42Å; Y41-F175 VanDerWaalsContact CD2-CD2 3.42Å; Y41-F175 HydrophobicContact CD2-CE2 4.04Å; Y41-F175 AromaticContact CD2-CG 3.88Å; Y41-F175 HydrophobicContact CD2-CG 3.88Å; Y41-F175 HydrophobicContact CE1-CB 4.08Å; Y41-F175 AromaticContact CE1-CD1 3.87Å; Y41-F175 HydrophobicContact CE1-CD1 3.87Å; Y41-F175 HydrophobicContact CE1-CD2 4.1Å; Y41-F175 HydrophobicContact CE1-CE1 4.33Å; Y41-F175 AromaticContact CE1-CG 3.75Å; Y41-F175 HydrophobicContact CE1-CG 3.75Å; Y41-F175 HydrophobicContact CE2-CB 3.61Å; Y41-F175 AromaticContact CE2-CD2 3.88Å; Y41-F175 HydrophobicContact CE2-CD2 3.88Å; Y41-F175 AromaticContact CE2-CG 3.86Å; Y41-F175 HydrophobicContact CE2-CG 3.86Å; Y41-F175 HydrophobicContact CG-CD1 4.43Å; Y41-F175 AromaticContact CG-CD2 3.3Å; Y41-F175 HydrophobicContact CG-CD2 3.3Å; Y41-F175 AromaticContact CG-CE2 3.45Å; Y41-F175 HydrophobicContact CG-CE2 3.45Å; Y41-F175 VanDerWaalsContact CG-CE2 3.45Å; Y41-F175 AromaticContact CG-CG 3.84Å; Y41-F175 HydrophobicContact CG-CG 3.84Å; Y41-F175 HydrophobicContact CG-CZ 4.1Å; Y41-F175 AromaticContact CZ-CG 3.78Å; I74-F175 HydrophobicContact CD1-CD1 4.11Å; I74-F175 HydrophobicContact CD1-CE1 3.78Å; I74-F175 HydrophobicContact CG1-CE1 4.31Å; I74-F175 HydrophobicContact CG2-CE1 3.92Å; I74-F175 HydrophobicContact CG2-CZ 4.46Å; I98-F175 HydrophobicContact CD1-CD1 3.73Å; I98-F175 HydrophobicContact CD1-CD2 4.47Å; I98-F175 HydrophobicContact CD1-CE1 3.38Å; I98-F175 HydrophobicContact CD1-CE2 4.18Å; I98-F175 HydrophobicContact CD1-CG 4.26Å; I98-F175 HydrophobicContact CD1-CZ 3.64Å; V171-F175 HydrophobicContact CG1-CE2 4.39Å; V171-F175 VanDerWaalsContact O-CD2 3.27Å; V171-F175 WeakPolarHBondContact O-CD2 3.29Å; K172-F175 PolarHBondContact O-N 3.39Å; K172-F175 VanDerWaalsContact O-N 3.15Å; Q173-F175 PolarHBondContact O-N 2.79Å; F175-L178 PolarHBondContact O-N 2.98Å; F175-V179 VanDerWaalsContact O-CG2 3.24Å; F175-V179 WeakPolarHBondContact O-CG2 3.48Å; F175-V179 PolarHBondContact O-N 3.26Å
176	E	96.5	Very high	96	Very high	40 Å²	40	47.1 Å²	47.1	19%	0.187	23%	0.226	C	C	.	.	H	α-helix	trans	-63.1	-45.7	178.7	-66.7	-173.6	140.5	0	0	110.9	R65 K172 Q173 L178 V179 D180	R65-E176 IonicContact CZ-OE1 2.67Å; R65-E176 IonicContact NH2-OE1 3.77Å; R65-E176 PolarHBondContact NH2-OE1 3.27Å; R65-E176 IonicContact NH2-OE2 3.25Å; K172-E176 WeakPolarHBondContact CE-OE1 3.37Å; K172-E176 HydrophobicContact CG-CG 4.03Å; K172-E176 IonicContact NZ-OE1 3.73Å; K172-E176 PolarHBondContact NZ-OE1 3.23Å; K172-E176 IonicContact NZ-OE2 2.7Å; K172-E176 PolarHBondContact NZ-OE2 3.38Å; K172-E176 VanDerWaalsContact O-CG 3.27Å; K172-E176 WeakPolarHBondContact O-CG 3.48Å; K172-E176 PolarHBondContact O-N 3.39Å; Q173-E176 PolarHBondContact O-N 2.86Å; E176-L178 PolarHBondContact O-N 2.99Å; E176-V179 WeakPolarHBondContact O-CB 3.43Å; E176-V179 PolarHBondContact O-N 3.4Å; E176-D180 PolarHBondContact O-N 3.22Å
177	R	97.8	Very high	95.5	Very high	63 Å²	63	45 Å²	45	24%	0.238	22%	0.224	C	C	.	.	H	α-helix	trans	-63.7	-42.7	177.7	-177.4	57.6	-172.7	145.2	2.7	112.1	L130 E159 F161 Q173 V179 D180 I181 E184	L130-R177 HydrophobicContact CD1-CB 4.35Å; E159-R177 IonicContact OE1-CZ 4Å; E159-R177 VanDerWaalsContact OE1-CZ 3.29Å; E159-R177 IonicContact OE1-NE 2.82Å; E159-R177 PolarHBondContact OE1-NE 3Å; E159-R177 VanDerWaalsContact OE1-NE 3.13Å; E159-R177 IonicContact OE1-NH2 3.02Å; E159-R177 PolarHBondContact OE1-NH2 3.28Å; E159-R177 VanDerWaalsContact OE2-CG 3.3Å; E159-R177 WeakPolarHBondContact OE2-CG 3.21Å; E159-R177 IonicContact OE2-CZ 2.7Å; E159-R177 IonicContact OE2-NE 3.83Å; E159-R177 PolarHBondContact OE2-NE 3.17Å; E159-R177 IonicContact OE2-NH2 2.94Å; F161-R177 HydrophobicContact CE2-CB 4.18Å; F161-R177 HydrophobicContact CE2-CG 4.08Å; F161-R177 HydrophobicContact CZ-CB 4.1Å; F161-R177 HydrophobicContact CZ-CG 4.16Å; Q173-R177 WeakPolarHBondContact O-CB 3.48Å; Q173-R177 PolarHBondContact O-N 3.24Å; R177-V179 VanDerWaalsContact C-N 3.29Å; R177-V179 PolarHBondContact O-N 3.33Å; R177-D180 PolarHBondContact O-N 3.49Å; R177-D180 VanDerWaalsContact O-N 3.17Å; R177-I181 HydrophobicContact CG-CD1 3.98Å; 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 3.36Å; R177-I181 PolarHBondContact O-N 2.95Å; R177-E184 IonicContact CZ-OE1 2.63Å; R177-E184 IonicContact NH1-OE1 3.83Å; R177-E184 PolarHBondContact NH1-OE1 3.02Å; R177-E184 IonicContact NH1-OE2 3.67Å; R177-E184 IonicContact NH2-OE2 3.79Å
178	L	97.7	Very high	94.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.7	-41.3	177	-178.8	57.3	0	0	0	111.6	I24 I98 Q128 L130 T174 F175 E176 D180 I181 I182	I24-L178 HydrophobicContact CD1-CD2 4.18Å; I24-L178 HydrophobicContact CG1-CD2 4.29Å; I24-L178 HydrophobicContact CG2-CD2 3.73Å; I98-L178 HydrophobicContact CD1-CD2 4.27Å; I98-L178 HydrophobicContact CG1-CD2 3.67Å; Q128-L178 HydrophobicContact CB-CD1 3.95Å; L130-L178 HydrophobicContact CD1-CB 3.7Å; L130-L178 HydrophobicContact CG-CB 4.22Å; L130-L178 HydrophobicContact CG-CD1 4.24Å; T174-L178 WeakPolarHBondContact O-CB 3.36Å; T174-L178 PolarHBondContact O-N 3.19Å; F175-L178 PolarHBondContact O-N 2.98Å; E176-L178 PolarHBondContact O-N 2.99Å; L178-D180 VanDerWaalsContact C-N 3.34Å; L178-I181 PolarHBondContact O-N 3.29Å; L178-I182 HydrophobicContact CD1-CD1 4.19Å; L178-I182 HydrophobicContact CD1-CG1 4.41Å; L178-I182 HydrophobicContact CG-CD1 4.01Å; L178-I182 WeakPolarHBondContact O-CD1 3.48Å; L178-I182 WeakPolarHBondContact O-CG1 3.49Å; L178-I182 PolarHBondContact O-N 3Å
179	V	96.9	Very high	94	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.3	-44.6	175.2	167.2	0	0	0	0	110.8	F22 I24 I63 R65 I70 L72 F175 E176 R177 I182 C183	F22-V179 HydrophobicContact CD2-CG1 4.36Å; F22-V179 HydrophobicContact CD2-CG2 4.34Å; F22-V179 HydrophobicContact CE2-CG1 3.97Å; I24-V179 HydrophobicContact CD1-CG2 4.47Å; I63-V179 HydrophobicContact CD1-CB 4.28Å; I63-V179 HydrophobicContact CD1-CG1 3.76Å; I63-V179 HydrophobicContact CD1-CG2 3.84Å; R65-V179 HydrophobicContact CG-CG1 4.02Å; I70-V179 HydrophobicContact CD1-CG1 4.11Å; L72-V179 HydrophobicContact CD1-CG2 4.01Å; L72-V179 HydrophobicContact CD2-CG2 3.63Å; L72-V179 HydrophobicContact CG-CG2 4.47Å; F175-V179 VanDerWaalsContact O-CG2 3.24Å; F175-V179 WeakPolarHBondContact O-CG2 3.48Å; F175-V179 PolarHBondContact O-N 3.26Å; E176-V179 WeakPolarHBondContact O-CB 3.43Å; E176-V179 PolarHBondContact O-N 3.4Å; R177-V179 VanDerWaalsContact C-N 3.29Å; R177-V179 PolarHBondContact O-N 3.33Å; V179-I182 PolarHBondContact O-N 3.21Å; V179-C183 PolarHBondContact O-N 2.92Å; V179-C183 PolarHBondContact O-SG 3.21Å
180	D	95.7	Very high	92.7	Very high	52 Å²	52	48 Å²	48	28%	0.278	24%	0.243	S	C	.	.	H	α-helix	trans	-62.8	-45.3	-179.8	-63.2	-21.7	0	0	0	111.1	R65 E176 R177 L178 I182 C183 E184	R65-D180 IonicContact NE-OD1 2.89Å; E176-D180 PolarHBondContact O-N 3.22Å; R177-D180 PolarHBondContact O-N 3.49Å; R177-D180 VanDerWaalsContact O-N 3.17Å; L178-D180 VanDerWaalsContact C-N 3.34Å; D180-I182 VanDerWaalsContact C-N 3.32Å; D180-I182 PolarHBondContact O-N 2.96Å; D180-C183 WeakPolarHBondContact O-CB 3.23Å; D180-C183 PolarHBondContact O-N 2.74Å; D180-C183 VanDerWaalsContact O-N 3.13Å; D180-E184 VanDerWaalsContact O-CG 3.29Å; D180-E184 WeakPolarHBondContact O-CG 3.32Å; D180-E184 PolarHBondContact O-N 3.34Å
181	I	95.3	Very high	91.3	Very high	18 Å²	18	52.2 Å²	52.2	9%	0.092	27%	0.265	C	S	.	.	H	α-helix	trans	-60.5	-41.5	176	-60.6	164.2	0	0	0	111.1	Q128 L130 R177 L178 E184 K185	Q128-I181 HydrophobicContact CB-CG2 4.01Å; Q128-I181 HydrophobicContact CG-CG2 3.75Å; L130-I181 HydrophobicContact CD2-CD1 3.76Å; L130-I181 HydrophobicContact CG-CD1 4.47Å; R177-I181 HydrophobicContact CG-CD1 3.98Å; 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 3.36Å; R177-I181 PolarHBondContact O-N 2.95Å; L178-I181 PolarHBondContact O-N 3.29Å; I181-E184 PolarHBondContact O-N 3.07Å; I181-K185 WeakPolarHBondContact O-CB 3.2Å; I181-K185 PolarHBondContact O-N 3.26Å
182	I	94.8	Very high	89.5	Confident	5 Å²	5	56.2 Å²	56.2	3%	0.026	30%	0.298	C	S	.	.	H	α-helix	trans	-63.4	-43.1	176.2	-68	164.9	0	0	0	110.5	F22 I24 M95 Q128 L178 V179 D180 K185 M186	F22-I182 HydrophobicContact CD1-CG2 4.14Å; F22-I182 HydrophobicContact CD2-CB 4.31Å; F22-I182 HydrophobicContact CD2-CD1 4.24Å; F22-I182 HydrophobicContact CD2-CG2 3.89Å; F22-I182 HydrophobicContact CE1-CG2 3.98Å; F22-I182 HydrophobicContact CE2-CB 4.08Å; F22-I182 HydrophobicContact CE2-CG2 3.68Å; F22-I182 HydrophobicContact CG-CG2 4.14Å; F22-I182 HydrophobicContact CZ-CG2 3.77Å; I24-I182 HydrophobicContact CG1-CD1 4.49Å; M95-I182 HydrophobicContact CB-CD1 4.19Å; M95-I182 HydrophobicContact CB-CG2 4.25Å; M95-I182 HydrophobicContact CE-CG2 3.69Å; Q128-I182 HydrophobicContact CB-CG1 4.07Å; Q128-I182 HydrophobicContact CG-CG1 3.94Å; L178-I182 HydrophobicContact CD1-CD1 4.19Å; L178-I182 HydrophobicContact CD1-CG1 4.41Å; L178-I182 HydrophobicContact CG-CD1 4.01Å; L178-I182 WeakPolarHBondContact O-CD1 3.48Å; L178-I182 WeakPolarHBondContact O-CG1 3.49Å; L178-I182 PolarHBondContact O-N 3Å; V179-I182 PolarHBondContact O-N 3.21Å; D180-I182 VanDerWaalsContact C-N 3.32Å; D180-I182 PolarHBondContact O-N 2.96Å; I182-K185 PolarHBondContact O-N 2.96Å; I182-M186 HydrophobicContact CG2-CE 4.49Å; I182-M186 WeakPolarHBondContact O-CG 3.5Å; I182-M186 PolarHBondContact O-N 3.21Å
183	C	93.3	Very high	87.5	Confident	24 Å²	24	54.1 Å²	54.1	16%	0.162	30%	0.302	C	S	.	.	H	α-helix	trans	-61.6	-48.3	176.2	-77.4	0	0	0	0	112.1	V179 D180 K185 M186 S187	V179-C183 PolarHBondContact O-N 2.92Å; V179-C183 PolarHBondContact O-SG 3.21Å; D180-C183 WeakPolarHBondContact O-CB 3.23Å; D180-C183 PolarHBondContact O-N 2.74Å; D180-C183 VanDerWaalsContact O-N 3.13Å; C183-K185 VanDerWaalsContact C-N 3.29Å; C183-K185 PolarHBondContact O-N 3.45Å; C183-M186 PolarHBondContact O-N 2.95Å; C183-S187 PolarHBondContact O-N 2.69Å; C183-S187 PolarHBondContact O-OG 3.35Å
184	E	92.1	Very high	84.8	Confident	89 Å²	89	56 Å²	56	42%	0.416	32%	0.315	S	S	.	.	H	α-helix	trans	-54.2	-47.5	175.5	-71.6	163.8	-161.3	0	0	110.3	R177 D180 I181 M186 S187 E188	R177-E184 IonicContact CZ-OE1 2.63Å; R177-E184 IonicContact NH1-OE1 3.83Å; R177-E184 PolarHBondContact NH1-OE1 3.02Å; R177-E184 IonicContact NH1-OE2 3.67Å; R177-E184 IonicContact NH2-OE2 3.79Å; D180-E184 VanDerWaalsContact O-CG 3.29Å; D180-E184 WeakPolarHBondContact O-CG 3.32Å; D180-E184 PolarHBondContact O-N 3.34Å; I181-E184 PolarHBondContact O-N 3.07Å; E184-M186 PolarHBondContact O-N 3.28Å; E184-S187 WeakPolarHBondContact CA-OG 3.48Å; E184-S187 PolarHBondContact O-N 3.18Å; E184-S187 PolarHBondContact O-OG 3.29Å; E184-E188 WeakPolarHBondContact O-CG 3.38Å; E184-E188 PolarHBondContact O-N 3.05Å; E184-E188 VanDerWaalsContact O-N 3.07Å
185	K	89.9	Confident	82.2	Confident	74 Å²	74	61.3 Å²	61.3	32%	0.322	35%	0.349	S	S	.	.	H	α-helix	trans	-66.5	-37.6	-179.5	-164.2	70.2	-164.8	158.9	0	113.4	N126 I181 I182 C183 E188 S189	N126-K185 HydrophobicContact CB-CG 4.44Å; I181-K185 WeakPolarHBondContact O-CB 3.2Å; I181-K185 PolarHBondContact O-N 3.26Å; I182-K185 PolarHBondContact O-N 2.96Å; C183-K185 VanDerWaalsContact C-N 3.29Å; C183-K185 PolarHBondContact O-N 3.45Å; K185-E188 IonicContact NZ-OE2 3.49Å; K185-E188 PolarHBondContact NZ-OE2 2.9Å; K185-S189 PolarHBondContact O-N 2.96Å
186	M	87.3	Confident	79.6	Confident	44 Å²	44	65.2 Å²	65.2	22%	0.217	38%	0.381	C	S	.	.	H	α-helix	trans	-65.6	-41.2	174.4	-73.6	-168.4	-51.4	0	0	111.7	Y20 F22 M95 I182 C183 E184 S189 L190	Y20-M186 HydrophobicContact CD1-CE 4.28Å; Y20-M186 HydrophobicContact CE1-CE 4.49Å; F22-M186 HydrophobicContact CE1-CE 3.35Å; F22-M186 HydrophobicContact CE1-SD 3.83Å; F22-M186 HydrophobicContact CE2-CE 4.5Å; F22-M186 HydrophobicContact CZ-CE 3.27Å; F22-M186 HydrophobicContact CZ-SD 4.3Å; M95-M186 HydrophobicContact CE-CG 4.24Å; M95-M186 HydrophobicContact CE-SD 3.56Å; M95-M186 VanDerWaalsContact CE-SD 3.56Å; I182-M186 HydrophobicContact CG2-CE 4.49Å; I182-M186 WeakPolarHBondContact O-CG 3.5Å; I182-M186 PolarHBondContact O-N 3.21Å; C183-M186 PolarHBondContact O-N 2.95Å; E184-M186 PolarHBondContact O-N 3.28Å; M186-S189 PolarHBondContact O-N 3.35Å; M186-S189 PolarHBondContact O-OG 3.4Å; M186-L190 WeakPolarHBondContact O-CG 3.28Å; M186-L190 PolarHBondContact O-N 3.33Å
187	S	86.1	Confident	77.3	Confident	55 Å²	55	71.1 Å²	71.1	39%	0.385	41%	0.412	S	S	.	.	H	α-helix	trans	-61.6	-45.1	176.1	41.5	0	0	0	0	112.4	C183 E184 S189 L190 D191	C183-S187 PolarHBondContact O-N 2.69Å; C183-S187 PolarHBondContact O-OG 3.35Å; E184-S187 WeakPolarHBondContact CA-OG 3.48Å; E184-S187 PolarHBondContact O-N 3.18Å; E184-S187 PolarHBondContact O-OG 3.29Å; S187-S189 VanDerWaalsContact C-N 3.25Å; S187-S189 PolarHBondContact O-N 3.46Å; S187-L190 PolarHBondContact O-N 3.04Å; S187-L190 VanDerWaalsContact O-N 3.07Å; S187-D191 PolarHBondContact O-N 3.42Å
188	E	84.9	Confident	74.6	Confident	107 Å²	107	74.5 Å²	74.5	50%	0.5	44%	0.44	S	S	.	.	H	α-helix	trans	-57.5	-39.6	176.4	-70.6	177.1	177.9	0	0	112.3	E184 K185 L190 D191 A192	E184-E188 WeakPolarHBondContact O-CG 3.38Å; E184-E188 PolarHBondContact O-N 3.05Å; E184-E188 VanDerWaalsContact O-N 3.07Å; K185-E188 IonicContact NZ-OE2 3.49Å; K185-E188 PolarHBondContact NZ-OE2 2.9Å; E188-L190 VanDerWaalsContact C-N 3.31Å; E188-L190 PolarHBondContact O-N 3.14Å; E188-D191 PolarHBondContact O-N 3.03Å; E188-A192 WeakPolarHBondContact O-CB 3.44Å; E188-A192 PolarHBondContact O-N 3.24Å
189	S	78.3	Confident	71.6	Confident	70 Å²	70	77.9 Å²	77.9	49%	0.49	48%	0.475	S	S	.	.	H	α-helix	trans	-69.5	-28.3	179.6	71.6	0	0	0	0	113.5	K185 M186 S187	K185-S189 PolarHBondContact O-N 2.96Å; M186-S189 PolarHBondContact O-N 3.35Å; M186-S189 PolarHBondContact O-OG 3.4Å; S187-S189 VanDerWaalsContact C-N 3.25Å; S187-S189 PolarHBondContact O-N 3.46Å
190	L	72.3	Confident	69.2	Low	117 Å²	117	82.4 Å²	82.4	61%	0.613	51%	0.513	S	S	*	.	H	α-helix	trans	-78.2	-39	176.1	-68.5	168.5	0	0	0	111.1	M186 S187 E188 A193	M186-L190 WeakPolarHBondContact O-CG 3.28Å; M186-L190 PolarHBondContact O-N 3.33Å; S187-L190 PolarHBondContact O-N 3.04Å; S187-L190 VanDerWaalsContact O-N 3.07Å; E188-L190 VanDerWaalsContact C-N 3.31Å; E188-L190 PolarHBondContact O-N 3.14Å; L190-A193 PolarHBondContact O-N 2.85Å
191	D	69.4	Low	66.4	Low	137 Å²	137	89.9 Å²	89.9	73%	0.733	54%	0.543	S	S	*	.	H	α-helix	trans	-73.5	-28.6	179.1	-66.7	-28	0	0	0	112.5	S187 E188 A193	S187-D191 PolarHBondContact O-N 3.42Å; E188-D191 PolarHBondContact O-N 3.03Å; D191-A193 VanDerWaalsContact C-N 3.28Å; D191-A193 PolarHBondContact O-N 2.87Å
192	A	60.6	Low	63.8	Low	84 Å²	84	98.7 Å²	98.7	69%	0.694	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-13.5	174.1	0	0	0	0	0	113.7	E188 D194	E188-A192 WeakPolarHBondContact O-CB 3.44Å; E188-A192 PolarHBondContact O-N 3.24Å; A192-D194 PolarHBondContact O-N 2.73Å; A192-D194 VanDerWaalsContact O-N 3.16Å
193	A	55	Low	60.8	Low	69 Å²	69	101.5 Å²	101.5	57%	0.57	61%	0.614	S	S	*	*	S	Bend	trans	-83.6	81.2	172.5	0	0	0	0	0	109.8	L190 D191	L190-A193 PolarHBondContact O-N 2.85Å; D191-A193 VanDerWaalsContact C-N 3.28Å; D191-A193 PolarHBondContact O-N 2.87Å
194	D	39.8	Very low	58.1	Low	128 Å²	128	106.2 Å²	106.2	68%	0.684	64%	0.644	S	S	*	*			trans	-53.3	131.9	178.5	-152.1	-11.9	0	0	0	112	A192 A196	A192-D194 PolarHBondContact O-N 2.73Å; A192-D194 VanDerWaalsContact O-N 3.16Å; D194-A196 PolarHBondContact O-N 2.85Å
195	P	44.8	Very low	55.4	Low	112 Å²	112	110.9 Å²	110.9	73%	0.727	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-66.4	3.7	-178.8	-19.8	31.9	0	0	0	115.9	I197	P195-I197 VanDerWaalsContact C-N 3.33Å; P195-I197 PolarHBondContact O-N 3.21Å
196	A	43.7	Very low	52.9	Low	82 Å²	82	114.8 Å²	114.8	68%	0.678	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-81.9	0.9	-172.6	0	0	0	0	0	115.2	D194	D194-A196 PolarHBondContact O-N 2.85Å
197	I	47.8	Very low	50.6	Low	163 Å²	163	118.8 Å²	118.8	84%	0.836	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-128.1	50.1	176.7	-41.9	-178.5	0	0	0	111.6	P195	P195-I197 VanDerWaalsContact C-N 3.33Å; P195-I197 PolarHBondContact O-N 3.21Å
198	T	41.9	Very low	48.3	Very low	135 Å²	135	124.8 Å²	124.8	83%	0.828	74%	0.738	S	S	*	*			trans	-121.6	49.4	155.4	55.8	0	0	0	0	110.3
199	G	34.3	Very low	46.1	Very low	70 Å²	70	128.7 Å²	128.7	72%	0.722	76%	0.756	S	S	*	*	S	Bend	trans	-97.3	102.3	163.6	0	0	0	0	0	110.1
200	A	46.8	Very low	44.1	Very low	96 Å²	96	131.5 Å²	131.5	79%	0.793	77%	0.773	S	S	*	*			trans	38.7	99	156.6	0	0	0	0	0	118.4
201	K	36.1	Very low	42.5	Very low	209 Å²	209	130.7 Å²	130.7	91%	0.909	78%	0.783	S	S	*	*			trans	-136	97.5	140.7	-71.6	-166.3	178.7	-179.8	0	109.7	G203	K201-G203 PolarHBondContact O-N 3.12Å
202	Q	40.3	Very low	41.1	Very low	203 Å²	203	128.4 Å²	128.4	95%	0.949	78%	0.784	S	S	*	*			trans	-60	112.4	157.8	-77.1	173.1	-14.7	0	0	107.4
203	G	31.7	Very low	40.1	Very low	64 Å²	64	130.6 Å²	130.6	66%	0.66	79%	0.79	S	S	*	*			trans	-78	143.8	168.9	0	0	0	0	0	110.4	K201	K201-G203 PolarHBondContact O-N 3.12Å
204	P	37.2	Very low	39.4	Very low	123 Å²	123	136.7 Å²	136.7	80%	0.799	81%	0.807	S	S	*	*			trans	-70.9	137.7	-177.5	28.4	-31.9	0	0	0	111.5	L206	P204-L206 PolarHBondContact O-N 3.18Å
205	Q	34.9	Very low	39.5	Very low	187 Å²	187	140 Å²	140	87%	0.874	82%	0.819	S	S	*	*			trans	-72.2	110.6	177.9	-160.1	165.8	33.4	0	0	109.2
206	L	37.3	Very low	39.3	Very low	156 Å²	156	142.4 Å²	142.4	82%	0.817	83%	0.825	S	S	*	*			trans	-93.1	99	171.1	-73.8	168.6	0	0	0	109	P204	P204-L206 PolarHBondContact O-N 3.18Å
207	T	40.1	Very low	38.9	Very low	128 Å²	128	144.7 Å²	144.7	79%	0.785	84%	0.835	S	S	*	*			trans	-80.6	112.4	159.6	33	0	0	0	0	109.1
208	E	37.2	Very low	38.5	Very low	180 Å²	180	141.3 Å²	141.3	84%	0.841	83%	0.831	S	S	*	*			trans	-130.5	103.9	159.5	-76.5	-172.3	125.2	0	0	109.1
209	Q	38.3	Very low	38.6	Very low	189 Å²	189	144.8 Å²	144.8	88%	0.883	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-82.3	137.2	157.4	-82.4	178.5	-10.6	0	0	108.1	A211	Q209-A211 PolarHBondContact O-N 2.8Å
210	P	37.4	Very low	38.8	Very low	129 Å²	129	148.5 Å²	148.5	84%	0.838	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-75.8	122.5	171.7	-7.6	23.8	0	0	0	110.4
211	A	37.1	Very low	38.4	Very low	100 Å²	100	151.3 Å²	151.3	83%	0.826	87%	0.869	S	S	*	*	P	Polyproline II helix	trans	-75.4	133.7	168.4	0	0	0	0	0	110.6	Q209	Q209-A211 PolarHBondContact O-N 2.8Å
212	A	40	Very low	38.5	Very low	90 Å²	90	148.1 Å²	148.1	74%	0.744	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-73.1	147	175.3	0	0	0	0	0	111.8
213	P	40.6	Very low	38.4	Very low	129 Å²	129	144.8 Å²	144.8	84%	0.838	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-76.6	131.9	-179.8	27.9	-29.9	0	0	0	112.3
214	Q	40.3	Very low	38.8	Very low	198 Å²	198	149.9 Å²	149.9	93%	0.925	88%	0.875	S	S	*	*	P	Polyproline II helix	trans	-64.1	129.2	174.7	-80.4	168.5	-47.9	0	0	111.7
215	Q	42.5	Very low	38.9	Very low	198 Å²	198	151.7 Å²	151.7	93%	0.925	88%	0.88	S	S	*	*	P	Polyproline II helix	trans	-89.3	126.3	160.4	-91	178.2	-20.1	0	0	109.3
216	D	39.1	Very low	39.2	Very low	162 Å²	162	149.1 Å²	149.1	87%	0.866	88%	0.88	S	S	*	*	P	Polyproline II helix	trans	-86.1	121.4	-179.8	-152.9	-8.3	0	0	0	109.6
217	C	35.4	Very low	39.3	Very low	130 Å²	130	148.6 Å²	148.6	88%	0.878	89%	0.885	S	S	*	*			trans	-162.2	111.1	168.2	-107.3	0	0	0	0	111
218	A	40.7	Very low	39.3	Very low	92 Å²	92	150.3 Å²	150.3	76%	0.76	89%	0.894	S	S	*	*			trans	-162.9	139.6	141	0	0	0	0	0	112.1
219	C	42.7	Very low	39.5	Very low	207 Å²	207	147.6 Å²	147.6	100%	1.399	90%	0.898	S	S	*	*			trans	93.3	0	166.3	-57.9	0	0	0	0	117.2

Retrieved 219 of 219 residues in 1842.6 ms (Link to these results)

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