A0A077Z131_TRITR Loading...

Ephrin domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z131, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 223 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	81.7	Confident	94	Very high	154 Å²	154	66.6 Å²	66.6	76%	0.759	33%	0.33	S	S	*	.				0	117.3	0	-79	-172.6	-174.6	0	0	106.5	R61 E219	M1-R61 HydrophobicContact SD-CB 4.17Å; M1-E219 VanDerWaalsContact N-CD 3.3Å; M1-E219 PolarHBondContact N-OE1 3.46Å; M1-E219 PolarHBondContact N-OE2 2.93Å
2	D	91	Very high	93.9	Very high	67 Å²	67	69.2 Å²	69.2	36%	0.358	35%	0.346	S	S	.	.			trans	-70.1	146.7	-178.1	-57.6	-33	0	0	0	111.3	I60 E219	D2-I60 HydrophobicContact CB-CB 4.49Å; D2-I60 PolarHBondContact O-N 3.33Å; D2-E219 VanDerWaalsContact OD1-CD 3.28Å; D2-E219 VanDerWaalsContact OD1-CG 3.31Å; D2-E219 WeakPolarHBondContact OD1-CG 3.29Å
3	S	92.9	Very high	93.4	Very high	27 Å²	27	75.9 Å²	75.9	19%	0.189	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	141.3	171.2	61.9	0	0	0	0	111.2	R57 L58 I217	S3-R57 PolarHBondContact OG-NH2 3.44Å; S3-L58 CarbonylContact C-O 3.46Å; S3-L58 WeakPolarHBondContact CA-O 3.39Å; S3-L58 WeakPolarHBondContact CB-O 3.14Å; S3-I217 WeakPolarHBondContact O-CD1 3.35Å
4	L	93.9	Very high	93.4	Very high	27 Å²	27	77.3 Å²	77.3	14%	0.141	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	135	175.1	172.3	67.7	0	0	0	108.9	L58 F106 I108 L214	L4-L58 HydrophobicContact CB-CB 4.2Å; L4-L58 HydrophobicContact CD2-CD1 4.1Å; L4-L58 PolarHBondContact N-O 3.49Å; L4-L58 PolarHBondContact O-N 3.35Å; L4-F106 HydrophobicContact CD2-CD2 4.32Å; L4-F106 HydrophobicContact CD2-CE2 3.6Å; L4-F106 HydrophobicContact CD2-CZ 4.13Å; L4-I108 HydrophobicContact CD2-CD1 3.83Å; L4-I108 HydrophobicContact CD2-CG1 4.42Å; L4-L214 HydrophobicContact CD1-CD1 4.09Å; L4-L214 HydrophobicContact CD1-CG 4.34Å; L4-L214 HydrophobicContact CD2-CD1 4.28Å
5	E	96.4	Very high	93.4	Very high	91 Å²	91	74.5 Å²	74.5	43%	0.425	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	133.4	176	-68.7	-174.7	170.6	0	0	110	V55 I56 R57	E5-V55 HydrophobicContact CB-CG1 3.83Å; E5-V55 HydrophobicContact CG-CG1 4.12Å; E5-I56 WeakPolarHBondContact CA-O 3.27Å; E5-R57 HydrophobicContact CG-CB 4.4Å; E5-R57 HydrophobicContact CG-CG 4.11Å; E5-R57 IonicContact OE1-CZ 3.87Å; E5-R57 IonicContact OE1-NE 3.32Å; E5-R57 IonicContact OE1-NH1 2.67Å
6	I	96.1	Very high	93.3	Very high	22 Å²	22	74.8 Å²	74.8	11%	0.113	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	113.5	175.6	-47.3	172.3	0	0	0	107.4	I25 V55 I56 L58 F106	I6-I25 HydrophobicContact CB-CD1 4.37Å; I6-I25 HydrophobicContact CD1-CD1 3.71Å; I6-I25 HydrophobicContact CD1-CG2 4.37Å; I6-I25 HydrophobicContact CG2-CD1 3.67Å; I6-V55 WeakPolarHBondContact O-CA 3.26Å; I6-I56 HydrophobicContact CB-CB 4.21Å; I6-I56 PolarHBondContact N-O 3.3Å; I6-I56 PolarHBondContact O-N 3.44Å; I6-L58 HydrophobicContact CD1-CD1 4.18Å; I6-F106 HydrophobicContact CD1-CE1 4.05Å; I6-F106 HydrophobicContact CD1-CZ 3.86Å
7	H	97.2	Very high	93.2	Very high	115 Å²	115	77.6 Å²	77.6	53%	0.532	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	122.7	177.6	-65.3	-104.2	0	0	0	109.5
8	C	97.4	Very high	93	Very high	14 Å²	14	82.3 Å²	82.3	10%	0.095	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-71.8	152.5	173.1	-69.3	0	0	0	0	111	F10 C47 T54	C8-F10 PolarHBondContact O-N 3.42Å; C8-C47 VanDerWaalsContact CA-SG 3.53Å; C8-C47 HydrophobicContact CB-CB 3.6Å; C8-C47 WeakPolarHBondContact CB-SG 3.02Å; C8-C47 WeakPolarHBondContact SG-CA 3.1Å; C8-C47 WeakPolarHBondContact SG-CB 3.46Å; C8-C47 CovalentContact SG-SG 2.04Å; C8-C47 PolarHBondContact SG-SG 2.85Å; C8-T54 WeakPolarHBondContact CB-O 3.36Å; C8-T54 PolarHBondContact N-O 2.79Å
9	P	96.1	Very high	93	Very high	42 Å²	42	82.7 Å²	82.7	27%	0.273	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-53.8	129.7	171.7	-26	35.4	0	0	0	111.6	Y11 E21	P9-Y11 HydrophobicContact CB-CD2 4.35Å; P9-Y11 HydrophobicContact CB-CE2 3.5Å; P9-Y11 VanDerWaalsContact CB-CE2 3.5Å; P9-E21 HydrophobicContact CG-CB 4.45Å
10	F	95.7	Very high	93.1	Very high	130 Å²	130	78.8 Å²	78.8	57%	0.57	42%	0.419	S	S	*	.			trans	-117.2	123.9	175.5	176	-109.9	0	0	0	109.1	C8 P50	C8-F10 PolarHBondContact O-N 3.42Å; F10-P50 WeakPolarHBondContact CA-O 3.41Å
11	Y	95.4	Very high	93.2	Very high	44 Å²	44	77.1 Å²	77.1	17%	0.173	41%	0.409	C	S	.	.			trans	-116.9	149.4	-178.3	-58.1	-84.3	0	0	0	110.2	P9 V15 A20 E21 P50	P9-Y11 HydrophobicContact CB-CD2 4.35Å; P9-Y11 HydrophobicContact CB-CE2 3.5Å; P9-Y11 VanDerWaalsContact CB-CE2 3.5Å; Y11-V15 HydrophobicContact CD1-CB 4.14Å; Y11-V15 HydrophobicContact CD1-CG1 4.07Å; Y11-V15 HydrophobicContact CD1-CG2 3.82Å; Y11-V15 HydrophobicContact CG-CB 4.24Å; Y11-V15 HydrophobicContact CG-CG1 4.23Å; Y11-V15 HydrophobicContact CG-CG2 4.35Å; Y11-A20 HydrophobicContact CD2-CB 4.22Å; Y11-A20 HydrophobicContact CE2-CB 4.26Å; Y11-E21 HydrophobicContact CE2-CB 4.43Å; Y11-E21 WeakPolarHBondContact OH-CB 3.34Å; Y11-E21 VanDerWaalsContact OH-CG 3.32Å; Y11-E21 WeakPolarHBondContact OH-CG 3.37Å; Y11-E21 PolarHBondContact OH-OE1 3.4Å; Y11-P50 HydrophobicContact CD2-CB 3.7Å; Y11-P50 HydrophobicContact CE2-CB 4.3Å; Y11-P50 PolarHBondContact N-O 2.85Å
12	N	92.8	Very high	94	Very high	97 Å²	97	70 Å²	70	52%	0.519	37%	0.374	S	S	.	.			trans	-82.2	176.8	168.4	65.2	9.8	0	0	0	110.5	S14 V15	N12-S14 PolarHBondContact O-N 2.8Å; N12-S14 WeakPolarHBondContact OD1-CB 3.45Å; N12-S14 PolarHBondContact OD1-N 3.17Å; N12-S14 VanDerWaalsContact OD1-N 3.16Å; N12-S14 PolarHBondContact OD1-OG 2.92Å; N12-V15 PolarHBondContact O-N 3.37Å
13	D	88	Confident	94.3	Very high	157 Å²	157	67.1 Å²	67.1	84%	0.84	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-3	-178.6	-57.8	-28.6	0	0	0	114.5
14	S	92.8	Very high	94.6	Very high	95 Å²	95	66.2 Å²	66.2	66%	0.664	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-20.6	176.7	77	0	0	0	0	113.5	N12	N12-S14 PolarHBondContact O-N 2.8Å; N12-S14 WeakPolarHBondContact OD1-CB 3.45Å; N12-S14 PolarHBondContact OD1-N 3.17Å; N12-S14 VanDerWaalsContact OD1-N 3.16Å; N12-S14 PolarHBondContact OD1-OG 2.92Å
15	V	93.1	Very high	94.8	Very high	35 Å²	35	65.2 Å²	65.2	21%	0.212	35%	0.346	C	S	.	.	S	Bend	trans	-97.1	126.3	178.8	-180	0	0	0	0	108.8	Y11 N12 T19 A20 Y51	Y11-V15 HydrophobicContact CD1-CB 4.14Å; Y11-V15 HydrophobicContact CD1-CG1 4.07Å; Y11-V15 HydrophobicContact CD1-CG2 3.82Å; Y11-V15 HydrophobicContact CG-CB 4.24Å; Y11-V15 HydrophobicContact CG-CG1 4.23Å; Y11-V15 HydrophobicContact CG-CG2 4.35Å; N12-V15 PolarHBondContact O-N 3.37Å; V15-T19 WeakPolarHBondContact CG1-OG1 3.27Å; V15-A20 HydrophobicContact CG1-CB 4.27Å; V15-Y51 VanDerWaalsContact O-CE1 3.23Å; V15-Y51 WeakPolarHBondContact O-CE1 3.23Å; V15-Y51 PolarHBondContact O-OH 2.87Å
16	T	93.2	Very high	94.8	Very high	80 Å²	80	61.4 Å²	61.4	49%	0.491	33%	0.328	S	S	.	.			trans	-77.8	158.6	177.7	70.3	0	0	0	0	111.5	N18 T19 A20	T16-N18 PolarHBondContact O-N 3.45Å; T16-T19 PolarHBondContact N-OG1 3.42Å; T16-T19 VanDerWaalsContact N-OG1 3.1Å; T16-T19 PolarHBondContact O-N 3.07Å; T16-T19 PolarHBondContact O-OG1 3.43Å; T16-T19 PolarHBondContact OG1-OG1 3.45Å; T16-A20 PolarHBondContact O-N 3.22Å
17	Q	90.2	Very high	94.9	Very high	123 Å²	123	61.9 Å²	61.9	58%	0.575	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-56.7	-37.8	178.7	-74.4	-179.2	68.4	0	0	112.1	T19 A20 Y22 Y51	Q17-T19 PolarHBondContact O-N 3.2Å; Q17-A20 PolarHBondContact O-N 3Å; Q17-Y22 VanDerWaalsContact O-CE2 3.3Å; Q17-Y22 WeakPolarHBondContact O-CE2 3.48Å; Q17-Y22 PolarHBondContact O-OH 3.33Å; Q17-Y51 HydrophobicContact CG-CE2 3.65Å; Q17-Y51 PolarHBondContact N-OH 2.7Å
18	N	90.6	Very high	95	Very high	161 Å²	161	56.9 Å²	56.9	86%	0.861	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-68.2	-20.4	-179.3	-64	-5.3	0	0	0	113.4	T16	T16-N18 PolarHBondContact O-N 3.45Å
19	T	92.9	Very high	95	Very high	90 Å²	90	57.2 Å²	57.2	55%	0.552	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-104.4	-10.6	179.6	50.3	0	0	0	0	113	V15 T16 Q17	V15-T19 WeakPolarHBondContact CG1-OG1 3.27Å; T16-T19 PolarHBondContact N-OG1 3.42Å; T16-T19 VanDerWaalsContact N-OG1 3.1Å; T16-T19 PolarHBondContact O-N 3.07Å; T16-T19 PolarHBondContact O-OG1 3.43Å; T16-T19 PolarHBondContact OG1-OG1 3.45Å; Q17-T19 PolarHBondContact O-N 3.2Å
20	A	94.9	Very high	95.1	Very high	4 Å²	4	60.2 Å²	60.2	3%	0.033	32%	0.32	C	S	.	.	S	Bend	trans	-75.1	155.8	177.7	0	0	0	0	0	110.5	Y11 V15 T16 Q17 Y22 P50	Y11-A20 HydrophobicContact CD2-CB 4.22Å; Y11-A20 HydrophobicContact CE2-CB 4.26Å; V15-A20 HydrophobicContact CG1-CB 4.27Å; T16-A20 PolarHBondContact O-N 3.22Å; Q17-A20 PolarHBondContact O-N 3Å; A20-Y22 HydrophobicContact CB-CE2 4.09Å; A20-Y22 VanDerWaalsContact O-CD2 3.25Å; A20-Y22 WeakPolarHBondContact O-CD2 3.45Å; A20-Y22 WeakPolarHBondContact O-CE2 3.44Å; A20-P50 HydrophobicContact CB-CB 3.54Å; A20-P50 HydrophobicContact CB-CG 3.79Å
21	E	95.9	Very high	95.3	Very high	45 Å²	45	60.7 Å²	60.7	21%	0.21	32%	0.319	C	S	.	.			trans	-95.7	135.7	-177.1	-72.5	166.8	-141	0	0	113.5	P9 Y11 G86 R209	P9-E21 HydrophobicContact CG-CB 4.45Å; Y11-E21 HydrophobicContact CE2-CB 4.43Å; Y11-E21 WeakPolarHBondContact OH-CB 3.34Å; Y11-E21 VanDerWaalsContact OH-CG 3.32Å; Y11-E21 WeakPolarHBondContact OH-CG 3.37Å; Y11-E21 PolarHBondContact OH-OE1 3.4Å; E21-G86 CarbonylContact C-O 3.58Å; E21-G86 VanDerWaalsContact CA-O 3.28Å; E21-G86 WeakPolarHBondContact CA-O 3.27Å; E21-R209 IonicContact OE1-CZ 4Å; E21-R209 IonicContact OE1-NH1 2.64Å; E21-R209 PolarHBondContact OE1-NH1 3.4Å; E21-R209 IonicContact OE1-NH2 3.14Å; E21-R209 PolarHBondContact OE1-NH2 2.94Å; E21-R209 IonicContact OE2-CZ 3.96Å; E21-R209 IonicContact OE2-NH1 3.09Å; E21-R209 PolarHBondContact OE2-NH1 2.76Å; E21-R209 IonicContact OE2-NH2 3.14Å; E21-R209 PolarHBondContact OE2-NH2 2.93Å; E21-R209 VanDerWaalsContact OE2-NH2 3.09Å
22	Y	97.4	Very high	95.4	Very high	5 Å²	5	58.6 Å²	58.6	2%	0.02	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-124.1	134.8	179.7	-57.4	-89	0	0	0	110	Q17 A20 C47 P50 G86 M88	Q17-Y22 VanDerWaalsContact O-CE2 3.3Å; Q17-Y22 WeakPolarHBondContact O-CE2 3.48Å; Q17-Y22 PolarHBondContact O-OH 3.33Å; A20-Y22 HydrophobicContact CB-CE2 4.09Å; A20-Y22 VanDerWaalsContact O-CD2 3.25Å; A20-Y22 WeakPolarHBondContact O-CD2 3.45Å; A20-Y22 WeakPolarHBondContact O-CE2 3.44Å; Y22-C47 WeakPolarHBondContact CA-O 3.49Å; Y22-P50 HydrophobicContact CE1-CG 4.13Å; Y22-G86 PolarHBondContact N-O 2.84Å; Y22-G86 WeakPolarHBondContact O-CA 3.17Å; Y22-M88 HydrophobicContact CD1-CE 3.47Å; Y22-M88 VanDerWaalsContact CD1-CE 3.47Å; Y22-M88 HydrophobicContact CD1-SD 3.85Å; Y22-M88 HydrophobicContact CD2-CB 4Å; Y22-M88 HydrophobicContact CD2-CE 4.38Å; Y22-M88 HydrophobicContact CE1-CE 3.1Å; Y22-M88 HydrophobicContact CE1-SD 4.12Å; Y22-M88 HydrophobicContact CE2-CB 4.17Å; Y22-M88 HydrophobicContact CE2-CE 4.08Å; Y22-M88 HydrophobicContact CG-CB 4.35Å; Y22-M88 HydrophobicContact CG-CE 4.11Å; Y22-M88 HydrophobicContact CG-SD 4.11Å; Y22-M88 VanDerWaalsContact CZ-CE 3.44Å
23	S	98.1	Very high	95.7	Very high	5 Å²	5	56 Å²	56	4%	0.035	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	153.1	177.6	55.5	0	0	0	0	112.8	Q46 C47 S84	S23-Q46 WeakPolarHBondContact O-CA 3.33Å; S23-C47 PolarHBondContact N-O 3.05Å; S23-C47 PolarHBondContact O-N 3.41Å; S23-S84 WeakPolarHBondContact CA-OG 3.35Å
24	I	98.1	Very high	96.2	Very high	8 Å²	8	54.7 Å²	54.7	4%	0.041	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139	164.8	-52.2	168.9	0	0	0	107.6	Y26 G45 Q46 Y48 S82 S84 V91 H92	I24-Y26 HydrophobicContact CB-CD2 4.32Å; I24-Y26 HydrophobicContact CB-CE2 3.59Å; I24-Y26 HydrophobicContact CD1-CE2 4.44Å; I24-Y26 WeakPolarHBondContact CD1-OH 3.34Å; I24-Y26 HydrophobicContact CG2-CD2 3.98Å; I24-Y26 HydrophobicContact CG2-CE1 4.1Å; I24-Y26 HydrophobicContact CG2-CE2 3.4Å; I24-Y26 VanDerWaalsContact CG2-CZ 3.46Å; I24-G45 WeakPolarHBondContact CG2-O 3.48Å; I24-Q46 HydrophobicContact CG1-CB 4.46Å; I24-Y48 HydrophobicContact CD1-CE1 4.44Å; I24-Y48 VanDerWaalsContact CD1-OH 3.29Å; I24-Y48 WeakPolarHBondContact CD1-OH 3.46Å; I24-Y48 HydrophobicContact CG1-CE1 3.81Å; I24-S82 WeakPolarHBondContact O-CA 3.45Å; I24-S82 VanDerWaalsContact O-CB 3.27Å; I24-S82 WeakPolarHBondContact O-CB 3.36Å; I24-S82 PolarHBondContact O-OG 3.2Å; I24-S84 PolarHBondContact N-OG 3.15Å; I24-V91 HydrophobicContact CG1-CG2 4.13Å; I24-H92 WeakPolarHBondContact CD1-ND1 3.48Å
25	I	97.9	Very high	96.5	Very high	6 Å²	6	53.6 Å²	53.6	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.5	176.7	-54.9	179	0	0	0	107.7	I6 V44 G45 I56 F106	I6-I25 HydrophobicContact CB-CD1 4.37Å; I6-I25 HydrophobicContact CD1-CD1 3.71Å; I6-I25 HydrophobicContact CD1-CG2 4.37Å; I6-I25 HydrophobicContact CG2-CD1 3.67Å; I25-V44 HydrophobicContact CG2-CB 4.38Å; I25-V44 WeakPolarHBondContact O-CB 3.35Å; I25-V44 PolarHBondContact O-N 2.89Å; I25-G45 PolarHBondContact N-O 3.06Å; I25-G45 PolarHBondContact O-N 3.2Å; I25-I56 HydrophobicContact CD1-CD1 3.87Å; I25-F106 HydrophobicContact CG2-CE1 4.47Å
26	Y	98.2	Very high	96.7	Very high	11 Å²	11	52.3 Å²	52.3	4%	0.043	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	142.8	178.9	-65.5	-89.7	0	0	0	110.1	I24 L38 E41 R42 P43 F80 I81	I24-Y26 HydrophobicContact CB-CD2 4.32Å; I24-Y26 HydrophobicContact CB-CE2 3.59Å; I24-Y26 HydrophobicContact CD1-CE2 4.44Å; I24-Y26 WeakPolarHBondContact CD1-OH 3.34Å; I24-Y26 HydrophobicContact CG2-CD2 3.98Å; I24-Y26 HydrophobicContact CG2-CE1 4.1Å; I24-Y26 HydrophobicContact CG2-CE2 3.4Å; I24-Y26 VanDerWaalsContact CG2-CZ 3.46Å; Y26-L38 HydrophobicContact CD1-CD2 4.35Å; Y26-L38 HydrophobicContact CD2-CD1 4.1Å; Y26-L38 HydrophobicContact CD2-CD2 3.54Å; Y26-L38 HydrophobicContact CE1-CD1 4.26Å; Y26-L38 HydrophobicContact CE2-CD1 3.79Å; Y26-L38 HydrophobicContact CE2-CD2 4.1Å; Y26-L38 HydrophobicContact CG-CD1 4.44Å; Y26-L38 HydrophobicContact CG-CD2 3.67Å; Y26-E41 HydrophobicContact CD1-CB 4.03Å; Y26-E41 HydrophobicContact CD1-CG 3.86Å; Y26-E41 HydrophobicContact CE1-CG 4.13Å; Y26-R42 CarbonylContact C-O 3.55Å; Y26-R42 WeakPolarHBondContact CA-O 3.32Å; Y26-P43 HydrophobicContact CD1-CB 4.21Å; Y26-P43 HydrophobicContact CE1-CB 4.01Å; Y26-F80 CarbonylContact O-C 3.6Å; Y26-F80 WeakPolarHBondContact O-CA 3.49Å; Y26-I81 PolarHBondContact N-O 3.26Å; Y26-I81 PolarHBondContact O-N 3.11Å
27	M	97.8	Very high	97	Very high	32 Å²	32	50.1 Å²	50.1	16%	0.158	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	137.7	155.7	-172.3	-177.1	84.9	0	0	107.5	E41 R42 V44 L70 Y78 Y79 F80	M27-E41 CarbonylContact O-C 3.53Å; M27-E41 WeakPolarHBondContact O-CA 3.45Å; M27-R42 HydrophobicContact CB-CB 4.34Å; M27-R42 HydrophobicContact CE-CB 4.45Å; M27-R42 PolarHBondContact N-O 2.85Å; M27-R42 PolarHBondContact O-N 2.9Å; M27-V44 HydrophobicContact CB-CG2 3.9Å; M27-L70 HydrophobicContact CB-CD2 4.5Å; M27-L70 HydrophobicContact CE-CD2 4.24Å; M27-L70 HydrophobicContact SD-CD2 3.75Å; M27-Y78 HydrophobicContact SD-CD1 3.91Å; M27-Y79 CarbonylContact C-O 3.57Å; M27-Y79 VanDerWaalsContact CA-O 3.29Å; M27-Y79 WeakPolarHBondContact CA-O 3.31Å; M27-F80 HydrophobicContact CB-CD1 4.08Å; M27-F80 HydrophobicContact CB-CE1 3.87Å; M27-F80 HydrophobicContact CG-CD1 4.5Å; M27-F80 HydrophobicContact CG-CE1 4.09Å; M27-F80 HydrophobicContact CG-CZ 4.24Å; M27-F80 HydrophobicContact SD-CZ 4.49Å
28	V	98.3	Very high	97.4	Very high	10 Å²	10	44.6 Å²	44.6	6%	0.061	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	169.1	-176.7	-67.1	0	0	0	0	110.7	L38 D39 E41 Y79 I81	V28-L38 HydrophobicContact CG1-CD2 4.18Å; V28-D39 WeakPolarHBondContact CB-O 3.29Å; V28-E41 HydrophobicContact CG1-CB 4.14Å; V28-Y79 PolarHBondContact N-O 2.53Å; V28-I81 HydrophobicContact CG1-CD1 3.9Å; V28-I81 HydrophobicContact CG1-CG1 3.87Å; V28-I81 HydrophobicContact CG2-CD1 4.03Å; V28-I81 HydrophobicContact CG2-CG1 3.97Å; V28-I81 HydrophobicContact CG2-CG2 3.95Å
29	S	98.2	Very high	97.8	Very high	21 Å²	21	39.6 Å²	39.6	15%	0.147	20%	0.196	C	C	.	.			trans	-63.7	166.5	167.4	76.8	0	0	0	0	111.9	Y31 G32 Y33 D39	S29-Y31 VanDerWaalsContact C-N 3.26Å; S29-Y31 PolarHBondContact O-N 2.9Å; S29-Y31 PolarHBondContact OG-N 2.64Å; S29-G32 PolarHBondContact O-N 2.63Å; S29-G32 PolarHBondContact OG-N 3.36Å; S29-Y33 PolarHBondContact O-N 2.96Å; S29-D39 WeakPolarHBondContact CB-OD2 3.47Å; S29-D39 PolarHBondContact N-O 3.06Å; S29-D39 VanDerWaalsContact N-O 3.16Å; S29-D39 PolarHBondContact OG-OD2 3.09Å
30	E	98.5	Very high	97.9	Very high	106 Å²	106	42.6 Å²	42.6	50%	0.495	20%	0.204	S	C	.	.	H	α-helix	trans	-57.4	-41.2	170.7	-175.6	164.4	-126.5	0	0	111.7	G32 Y33 E34 Y79	E30-G32 PolarHBondContact O-N 3.48Å; E30-Y33 WeakPolarHBondContact O-CB 3.49Å; E30-Y33 PolarHBondContact O-N 3.16Å; E30-E34 WeakPolarHBondContact O-CG 3.45Å; E30-E34 PolarHBondContact O-N 3.23Å; E30-Y79 HydrophobicContact CB-CD2 4.05Å; E30-Y79 HydrophobicContact CB-CE2 3.56Å; E30-Y79 HydrophobicContact CG-CE1 4.5Å; E30-Y79 HydrophobicContact CG-CE2 3.96Å; E30-Y79 PolarHBondContact OE1-OH 2.81Å
31	Y	98.7	Very high	98	Very high	139 Å²	139	45.2 Å²	45.2	55%	0.545	22%	0.216	S	C	.	.	H	α-helix	trans	-60.5	-44	176	176.6	-96.4	0	0	0	111.9	S29 Y33 E34 N35 V37 D39	S29-Y31 VanDerWaalsContact C-N 3.26Å; S29-Y31 PolarHBondContact O-N 2.9Å; S29-Y31 PolarHBondContact OG-N 2.64Å; Y31-Y33 VanDerWaalsContact C-N 3.31Å; Y31-Y33 PolarHBondContact O-N 2.81Å; Y31-E34 PolarHBondContact O-N 3.23Å; Y31-N35 VanDerWaalsContact CD2-ND2 3.27Å; Y31-N35 WeakPolarHBondContact CD2-ND2 3.35Å; Y31-N35 WeakPolarHBondContact CE2-ND2 3.25Å; Y31-N35 WeakPolarHBondContact O-CB 3.15Å; Y31-N35 PolarHBondContact O-N 2.63Å; Y31-N35 VanDerWaalsContact O-N 3.07Å; Y31-N35 PolarHBondContact O-ND2 3.22Å; Y31-V37 HydrophobicContact CD1-CG1 4.24Å; Y31-V37 HydrophobicContact CE1-CG1 3.94Å; Y31-D39 HydrophobicContact CD1-CB 4.1Å
32	G	98.6	Very high	97.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.9	-39.3	176	0	0	0	0	0	112.8	S29 E30 C36 V37	S29-G32 PolarHBondContact O-N 2.63Å; S29-G32 PolarHBondContact OG-N 3.36Å; E30-G32 PolarHBondContact O-N 3.48Å; G32-C36 VanDerWaalsContact O-CA 3.28Å; G32-C36 WeakPolarHBondContact O-CA 3.41Å; G32-C36 PolarHBondContact O-N 3.2Å; G32-V37 CarbonylContact C-O 3.49Å; G32-V37 WeakPolarHBondContact CA-O 3.32Å; G32-V37 PolarHBondContact O-N 2.75Å; G32-V37 VanDerWaalsContact O-N 3.09Å
33	Y	98.7	Very high	97.8	Very high	44 Å²	44	49.6 Å²	49.6	17%	0.173	24%	0.24	C	C	.	.	H	α-helix	trans	-67.5	-41.3	178.4	178.5	-93.8	0	0	0	113.8	S29 E30 Y31 Y79 I81 K105	S29-Y33 PolarHBondContact O-N 2.96Å; E30-Y33 WeakPolarHBondContact O-CB 3.49Å; E30-Y33 PolarHBondContact O-N 3.16Å; Y31-Y33 VanDerWaalsContact C-N 3.31Å; Y31-Y33 PolarHBondContact O-N 2.81Å; Y33-Y79 AromaticContact CD1-CD1 3.79Å; Y33-Y79 HydrophobicContact CD1-CD1 3.79Å; Y33-Y79 HydrophobicContact CD1-CE1 4.29Å; Y33-Y79 AromaticContact CD2-CD1 3.89Å; Y33-Y79 HydrophobicContact CD2-CD1 3.89Å; Y33-Y79 HydrophobicContact CD2-CG 4.28Å; Y33-Y79 HydrophobicContact CE1-CD1 4.24Å; Y33-Y79 HydrophobicContact CE2-CD1 4.31Å; Y33-Y79 AromaticContact CG-CD1 3.6Å; Y33-Y79 HydrophobicContact CG-CD1 3.6Å; Y33-Y79 HydrophobicContact CG-CG 4.03Å; Y33-I81 HydrophobicContact CD2-CG2 3.81Å; Y33-I81 HydrophobicContact CG-CG2 4.5Å; Y33-K105 HydrophobicContact CD2-CB 3.99Å; Y33-K105 HydrophobicContact CD2-CD 4.06Å; Y33-K105 HydrophobicContact CD2-CG 4.32Å; Y33-K105 HydrophobicContact CE1-CD 4.29Å; Y33-K105 HydrophobicContact CE2-CB 3.55Å; Y33-K105 HydrophobicContact CE2-CD 3.73Å; Y33-K105 HydrophobicContact CE2-CG 3.63Å; Y33-K105 HydrophobicContact CG-CD 4.49Å; Y33-K105 PolarHBondContact O-NZ 2.97Å
34	E	98.5	Very high	97.6	Very high	128 Å²	128	50.6 Å²	50.6	60%	0.598	25%	0.246	S	C	*	.	H	α-helix	trans	-70.2	-42.2	178.9	-70.1	-173.3	159.7	0	0	111.6	E30 Y31	E30-E34 WeakPolarHBondContact O-CG 3.45Å; E30-E34 PolarHBondContact O-N 3.23Å; Y31-E34 PolarHBondContact O-N 3.23Å
35	N	98.6	Very high	97.5	Very high	72 Å²	72	51.1 Å²	51.1	39%	0.385	25%	0.253	S	S	.	.	H	α-helix	trans	-96.5	0.5	-172.7	-61.6	-77.6	0	0	0	114.1	Y31 V37	Y31-N35 VanDerWaalsContact CD2-ND2 3.27Å; Y31-N35 WeakPolarHBondContact CD2-ND2 3.35Å; Y31-N35 WeakPolarHBondContact CE2-ND2 3.25Å; Y31-N35 WeakPolarHBondContact O-CB 3.15Å; Y31-N35 PolarHBondContact O-N 2.63Å; Y31-N35 VanDerWaalsContact O-N 3.07Å; Y31-N35 PolarHBondContact O-ND2 3.22Å; N35-V37 VanDerWaalsContact C-N 3.35Å; N35-V37 HydrophobicContact CB-CG1 4.13Å; N35-V37 PolarHBondContact O-N 2.84Å
36	C	98.7	Very high	97.5	Very high	8 Å²	8	54.9 Å²	54.9	5%	0.054	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	51	-176	-71.1	0	0	0	0	112.8	G32 F95 G96 C99 A100	G32-C36 VanDerWaalsContact O-CA 3.28Å; G32-C36 WeakPolarHBondContact O-CA 3.41Å; G32-C36 PolarHBondContact O-N 3.2Å; C36-F95 CarbonylContact O-C 3.59Å; C36-F95 WeakPolarHBondContact O-CA 3.5Å; C36-G96 PolarHBondContact O-N 2.79Å; C36-C99 WeakPolarHBondContact CA-SG 3.46Å; C36-C99 HydrophobicContact CB-CB 3.66Å; C36-C99 WeakPolarHBondContact CB-SG 3.44Å; C36-C99 WeakPolarHBondContact SG-CB 3.28Å; C36-C99 PolarHBondContact SG-O 3.31Å; C36-C99 CovalentContact SG-SG 2.05Å; C36-C99 PolarHBondContact SG-SG 3.46Å; C36-A100 HydrophobicContact CB-CB 4.2Å; C36-A100 PolarHBondContact SG-N 3.13Å; C36-A100 VanDerWaalsContact SG-N 3.43Å
37	V	98.7	Very high	97.4	Very high	34 Å²	34	54.6 Å²	54.6	21%	0.206	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-127.7	146.2	177.4	63.6	0	0	0	0	109.4	Y31 G32 N35 D39 F95	Y31-V37 HydrophobicContact CD1-CG1 4.24Å; Y31-V37 HydrophobicContact CE1-CG1 3.94Å; G32-V37 CarbonylContact C-O 3.49Å; G32-V37 WeakPolarHBondContact CA-O 3.32Å; G32-V37 PolarHBondContact O-N 2.75Å; G32-V37 VanDerWaalsContact O-N 3.09Å; N35-V37 VanDerWaalsContact C-N 3.35Å; N35-V37 HydrophobicContact CB-CG1 4.13Å; N35-V37 PolarHBondContact O-N 2.84Å; V37-D39 VanDerWaalsContact C-N 3.28Å; V37-D39 HydrophobicContact CG1-CB 4.22Å; V37-D39 PolarHBondContact O-N 2.73Å; V37-F95 HydrophobicContact CB-CD2 3.95Å; V37-F95 HydrophobicContact CG2-CD2 4.11Å
38	L	98.3	Very high	97.3	Very high	7 Å²	7	56 Å²	56	4%	0.037	27%	0.274	C	S	.	.			trans	-75.4	85.8	172.2	-62.2	-171.7	0	0	0	109.8	Y26 V28 E41 I81 T83 R94	Y26-L38 HydrophobicContact CD1-CD2 4.35Å; Y26-L38 HydrophobicContact CD2-CD1 4.1Å; Y26-L38 HydrophobicContact CD2-CD2 3.54Å; Y26-L38 HydrophobicContact CE1-CD1 4.26Å; Y26-L38 HydrophobicContact CE2-CD1 3.79Å; Y26-L38 HydrophobicContact CE2-CD2 4.1Å; Y26-L38 HydrophobicContact CG-CD1 4.44Å; Y26-L38 HydrophobicContact CG-CD2 3.67Å; V28-L38 HydrophobicContact CG1-CD2 4.18Å; L38-E41 HydrophobicContact CB-CB 3.95Å; L38-E41 HydrophobicContact CB-CG 4.07Å; L38-E41 HydrophobicContact CD1-CG 4.41Å; L38-E41 HydrophobicContact CD2-CB 4.3Å; L38-I81 HydrophobicContact CD2-CD1 4.14Å; L38-I81 HydrophobicContact CD2-CG1 4.3Å; L38-T83 HydrophobicContact CD2-CG2 3.91Å; L38-T83 WeakPolarHBondContact CD2-OG1 3.18Å; L38-T83 HydrophobicContact CG-CG2 4.11Å; L38-T83 WeakPolarHBondContact CG-OG1 3.17Å; L38-R94 HydrophobicContact CB-CB 4.32Å; L38-R94 HydrophobicContact CD1-CB 3.98Å; L38-R94 HydrophobicContact CD1-CG 4Å; L38-R94 HydrophobicContact CG-CB 4.23Å; L38-R94 PolarHBondContact N-O 3.2Å
39	D	98.1	Very high	97.1	Very high	56 Å²	56	58.2 Å²	58.2	30%	0.299	29%	0.29	S	S	.	.	S	Bend	trans	-109.1	130.9	173.3	-176.1	61.3	0	0	0	109.9	V28 S29 Y31 V37 E41	V28-D39 WeakPolarHBondContact CB-O 3.29Å; S29-D39 WeakPolarHBondContact CB-OD2 3.47Å; S29-D39 PolarHBondContact N-O 3.06Å; S29-D39 VanDerWaalsContact N-O 3.16Å; S29-D39 PolarHBondContact OG-OD2 3.09Å; Y31-D39 HydrophobicContact CD1-CB 4.1Å; V37-D39 VanDerWaalsContact C-N 3.28Å; V37-D39 HydrophobicContact CG1-CB 4.22Å; V37-D39 PolarHBondContact O-N 2.73Å; D39-E41 PolarHBondContact O-N 3.43Å
40	E	96.3	Very high	96.9	Very high	154 Å²	154	57.6 Å²	57.6	72%	0.72	29%	0.285	S	S	*	.	S	Bend	trans	45.2	45.1	-171.2	-60.3	-175	170.7	0	0	112.7
41	E	96	Very high	96.7	Very high	58 Å²	58	56.5 Å²	56.5	27%	0.271	28%	0.277	S	S	.	.			trans	-78.1	147.8	-165	84.6	-72.5	-179.6	0	0	113.6	Y26 M27 V28 L38 D39 R94	Y26-E41 HydrophobicContact CD1-CB 4.03Å; Y26-E41 HydrophobicContact CD1-CG 3.86Å; Y26-E41 HydrophobicContact CE1-CG 4.13Å; M27-E41 CarbonylContact O-C 3.53Å; M27-E41 WeakPolarHBondContact O-CA 3.45Å; V28-E41 HydrophobicContact CG1-CB 4.14Å; L38-E41 HydrophobicContact CB-CB 3.95Å; L38-E41 HydrophobicContact CB-CG 4.07Å; L38-E41 HydrophobicContact CD1-CG 4.41Å; L38-E41 HydrophobicContact CD2-CB 4.3Å; D39-E41 PolarHBondContact O-N 3.43Å; E41-R94 IonicContact OE1-CZ 2.79Å; E41-R94 IonicContact OE1-NH2 2.64Å; E41-R94 PolarHBondContact OE1-NH2 2.97Å; E41-R94 IonicContact OE2-NH2 2.9Å; E41-R94 PolarHBondContact OE2-NH2 3.17Å
42	R	94.7	Very high	96.5	Very high	68 Å²	68	58.6 Å²	58.6	26%	0.257	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	122	173	-175.5	178.3	-175.8	171.1	14.2	110.5	Y26 M27 V44 N68 G69 L70	Y26-R42 CarbonylContact C-O 3.55Å; Y26-R42 WeakPolarHBondContact CA-O 3.32Å; M27-R42 HydrophobicContact CB-CB 4.34Å; M27-R42 HydrophobicContact CE-CB 4.45Å; M27-R42 PolarHBondContact N-O 2.85Å; M27-R42 PolarHBondContact O-N 2.9Å; R42-V44 PolarHBondContact O-N 2.8Å; R42-N68 PolarHBondContact NH2-O 3.02Å; R42-G69 PolarHBondContact NH1-O 3.32Å; R42-G69 PolarHBondContact NH2-O 2.93Å; R42-L70 HydrophobicContact CG-CD2 4.38Å
43	P	94.9	Very high	96.4	Very high	75 Å²	75	65.5 Å²	65.5	49%	0.487	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	131.8	179.6	27.7	-33.5	0	0	0	110.5	Y26	Y26-P43 HydrophobicContact CD1-CB 4.21Å; Y26-P43 HydrophobicContact CE1-CB 4.01Å
44	V	94.7	Very high	96.2	Very high	26 Å²	26	65.1 Å²	65.1	16%	0.158	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-37.1	-177	174.1	0	0	0	0	111.2	I25 M27 R42 I56 L58 L70 F80	I25-V44 HydrophobicContact CG2-CB 4.38Å; I25-V44 WeakPolarHBondContact O-CB 3.35Å; I25-V44 PolarHBondContact O-N 2.89Å; M27-V44 HydrophobicContact CB-CG2 3.9Å; R42-V44 PolarHBondContact O-N 2.8Å; V44-I56 HydrophobicContact CG1-CG2 4.16Å; V44-L58 HydrophobicContact CG1-CD1 4.14Å; V44-L58 HydrophobicContact CG1-CD2 3.32Å; V44-L58 HydrophobicContact CG1-CG 4.03Å; V44-L70 HydrophobicContact CG1-CD1 4.13Å; V44-L70 HydrophobicContact CG2-CD1 4.09Å; V44-F80 HydrophobicContact CG1-CE1 4.45Å; V44-F80 HydrophobicContact CG2-CD1 3.93Å; V44-F80 HydrophobicContact CG2-CE1 3.8Å
45	G	95.6	Very high	96.2	Very high	19 Å²	19	62 Å²	62	20%	0.196	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.5	171.5	177.5	0	0	0	0	0	111.8	I24 I25	I24-G45 WeakPolarHBondContact CG2-O 3.48Å; I25-G45 PolarHBondContact N-O 3.06Å; I25-G45 PolarHBondContact O-N 3.2Å
46	Q	97	Very high	96	Very high	84 Å²	84	59.3 Å²	59.3	39%	0.393	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	139.3	-174.3	64.8	-171.8	50.6	0	0	111.1	S23 I24 Y48	S23-Q46 WeakPolarHBondContact O-CA 3.33Å; I24-Q46 HydrophobicContact CG1-CB 4.46Å; Q46-Y48 HydrophobicContact CB-CD1 3.93Å; Q46-Y48 HydrophobicContact CB-CE1 3.96Å; Q46-Y48 HydrophobicContact CB-CG 4.33Å; Q46-Y48 HydrophobicContact CG-CD1 4.41Å; Q46-Y48 HydrophobicContact CG-CG 4.32Å
47	C	97.1	Very high	95.8	Very high	5 Å²	5	66.3 Å²	66.3	3%	0.034	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	78.9	174.9	-63.5	0	0	0	0	109.1	C8 Y22 S23	C8-C47 VanDerWaalsContact CA-SG 3.53Å; C8-C47 HydrophobicContact CB-CB 3.6Å; C8-C47 WeakPolarHBondContact CB-SG 3.02Å; C8-C47 WeakPolarHBondContact SG-CA 3.1Å; C8-C47 WeakPolarHBondContact SG-CB 3.46Å; C8-C47 CovalentContact SG-SG 2.04Å; C8-C47 PolarHBondContact SG-SG 2.85Å; Y22-C47 WeakPolarHBondContact CA-O 3.49Å; S23-C47 PolarHBondContact N-O 3.05Å; S23-C47 PolarHBondContact O-N 3.41Å
48	Y	95.2	Very high	95.5	Very high	62 Å²	62	65 Å²	65	24%	0.243	31%	0.311	C	S	.	.			trans	-105.6	-9	-175.4	-77.7	14.6	0	0	0	114.2	I24 Q46 P50 V91 H92	I24-Y48 HydrophobicContact CD1-CE1 4.44Å; I24-Y48 VanDerWaalsContact CD1-OH 3.29Å; I24-Y48 WeakPolarHBondContact CD1-OH 3.46Å; I24-Y48 HydrophobicContact CG1-CE1 3.81Å; Q46-Y48 HydrophobicContact CB-CD1 3.93Å; Q46-Y48 HydrophobicContact CB-CE1 3.96Å; Q46-Y48 HydrophobicContact CB-CG 4.33Å; Q46-Y48 HydrophobicContact CG-CD1 4.41Å; Q46-Y48 HydrophobicContact CG-CG 4.32Å; Y48-P50 WeakPolarHBondContact O-CD 3.43Å; Y48-V91 HydrophobicContact CD1-CG2 4.32Å; Y48-V91 HydrophobicContact CE1-CG1 4.48Å; Y48-V91 HydrophobicContact CE1-CG2 3.42Å; Y48-V91 VanDerWaalsContact CE1-CG2 3.42Å; Y48-H92 PolarHBondContact OH-CE1 3.1Å; Y48-H92 PolarHBondContact OH-NE2 3.3Å
49	S	94.5	Very high	95.3	Very high	56 Å²	56	67 Å²	67	39%	0.392	32%	0.324	S	S	.	.			trans	-115.2	79.7	-172.9	-56.9	0	0	0	0	110.5	Y51 R52	S49-Y51 PolarHBondContact O-N 2.9Å; S49-Y51 VanDerWaalsContact O-N 3.14Å; S49-R52 PolarHBondContact O-N 3.18Å; S49-R52 VanDerWaalsContact O-N 3.1Å
50	P	93.5	Very high	95	Very high	8 Å²	8	65.8 Å²	65.8	5%	0.052	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.8	-173.8	25.1	-35.3	0	0	0	114.1	F10 Y11 A20 Y22 Y48	F10-P50 WeakPolarHBondContact CA-O 3.41Å; Y11-P50 HydrophobicContact CD2-CB 3.7Å; Y11-P50 HydrophobicContact CE2-CB 4.3Å; Y11-P50 PolarHBondContact N-O 2.85Å; A20-P50 HydrophobicContact CB-CB 3.54Å; A20-P50 HydrophobicContact CB-CG 3.79Å; Y22-P50 HydrophobicContact CE1-CG 4.13Å; Y48-P50 WeakPolarHBondContact O-CD 3.43Å
51	Y	94.7	Very high	94.8	Very high	83 Å²	83	61.1 Å²	61.1	33%	0.325	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	14.3	179.7	-46.3	-66.4	0	0	0	113.3	V15 Q17 S49	V15-Y51 VanDerWaalsContact O-CE1 3.23Å; V15-Y51 WeakPolarHBondContact O-CE1 3.23Å; V15-Y51 PolarHBondContact O-OH 2.87Å; Q17-Y51 HydrophobicContact CG-CE2 3.65Å; Q17-Y51 PolarHBondContact N-OH 2.7Å; S49-Y51 PolarHBondContact O-N 2.9Å; S49-Y51 VanDerWaalsContact O-N 3.14Å
52	R	94.8	Very high	94.7	Very high	184 Å²	184	61.4 Å²	61.4	69%	0.694	29%	0.294	S	S	*	.	S	Bend	trans	-135.4	125.4	176.4	-166.7	-177.7	-173	-179.5	2.8	109.5	S49 T54	S49-R52 PolarHBondContact O-N 3.18Å; S49-R52 VanDerWaalsContact O-N 3.1Å; R52-T54 PolarHBondContact O-N 2.6Å; R52-T54 PolarHBondContact O-OG1 3Å
53	E	95.2	Very high	94.5	Very high	144 Å²	144	65.5 Å²	65.5	67%	0.673	31%	0.314	S	S	*	.			trans	-55.9	118.1	173.4	-170.7	169.1	-155.9	0	0	109.7
54	T	96	Very high	94.3	Very high	37 Å²	37	62.9 Å²	62.9	23%	0.227	30%	0.297	C	S	.	.			trans	-129.1	126.1	-175.5	-56.9	0	0	0	0	108	C8 R52	C8-T54 WeakPolarHBondContact CB-O 3.36Å; C8-T54 PolarHBondContact N-O 2.79Å; R52-T54 PolarHBondContact O-N 2.6Å; R52-T54 PolarHBondContact O-OG1 3Å
55	V	96.7	Very high	94	Very high	61 Å²	61	67 Å²	67	37%	0.37	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126.7	-179.8	-177.3	0	0	0	0	109	E5 I6	E5-V55 HydrophobicContact CB-CG1 3.83Å; E5-V55 HydrophobicContact CG-CG1 4.12Å; I6-V55 WeakPolarHBondContact O-CA 3.26Å
56	I	94.7	Very high	93.6	Very high	16 Å²	16	70.8 Å²	70.8	8%	0.082	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	117.9	173.8	-58.3	158.8	0	0	0	107.2	E5 I6 I25 V44	E5-I56 WeakPolarHBondContact CA-O 3.27Å; I6-I56 HydrophobicContact CB-CB 4.21Å; I6-I56 PolarHBondContact N-O 3.3Å; I6-I56 PolarHBondContact O-N 3.44Å; I25-I56 HydrophobicContact CD1-CD1 3.87Å; V44-I56 HydrophobicContact CG1-CG2 4.16Å
57	R	94.2	Very high	93	Very high	155 Å²	155	72.1 Å²	72.1	59%	0.585	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	121.3	-178.4	-173.3	171.1	-178.9	168.2	3.2	111.4	S3 E5 V59	S3-R57 PolarHBondContact OG-NH2 3.44Å; E5-R57 HydrophobicContact CG-CB 4.4Å; E5-R57 HydrophobicContact CG-CG 4.11Å; E5-R57 IonicContact OE1-CZ 3.87Å; E5-R57 IonicContact OE1-NE 3.32Å; E5-R57 IonicContact OE1-NH1 2.67Å; R57-V59 HydrophobicContact CG-CG2 4.36Å
58	L	93.5	Very high	92.3	Very high	6 Å²	6	79.3 Å²	79.3	3%	0.031	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121.1	172.4	-69.7	177.7	0	0	0	109.2	S3 L4 I6 V44 L70 F80 F106 I108	S3-L58 CarbonylContact C-O 3.46Å; S3-L58 WeakPolarHBondContact CA-O 3.39Å; S3-L58 WeakPolarHBondContact CB-O 3.14Å; L4-L58 HydrophobicContact CB-CB 4.2Å; L4-L58 HydrophobicContact CD2-CD1 4.1Å; L4-L58 PolarHBondContact N-O 3.49Å; L4-L58 PolarHBondContact O-N 3.35Å; I6-L58 HydrophobicContact CD1-CD1 4.18Å; V44-L58 HydrophobicContact CG1-CD1 4.14Å; V44-L58 HydrophobicContact CG1-CD2 3.32Å; V44-L58 HydrophobicContact CG1-CG 4.03Å; L58-L70 HydrophobicContact CD2-CD1 3.29Å; L58-F80 HydrophobicContact CD1-CD1 4.44Å; L58-F80 HydrophobicContact CD1-CE1 3.94Å; L58-F80 HydrophobicContact CD1-CZ 4.19Å; L58-F106 HydrophobicContact CD1-CZ 4.27Å; L58-I108 HydrophobicContact CD1-CD1 4.42Å
59	V	93.3	Very high	91.9	Very high	51 Å²	51	76.9 Å²	76.9	31%	0.309	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	119.9	175.5	-179.1	0	0	0	0	108.2	R57 R61 F72	R57-V59 HydrophobicContact CG-CG2 4.36Å; V59-R61 HydrophobicContact CG1-CG 4.46Å; V59-R61 PolarHBondContact O-N 2.88Å; V59-F72 WeakPolarHBondContact O-CE2 3.43Å
60	I	93	Very high	91.7	Very high	29 Å²	29	75.6 Å²	75.6	15%	0.149	38%	0.375	C	S	.	.			trans	-84.1	102.2	-177.5	-49.6	-52.9	0	0	0	108.2	D2 F72 I108 V110	D2-I60 HydrophobicContact CB-CB 4.49Å; D2-I60 PolarHBondContact O-N 3.33Å; I60-F72 HydrophobicContact CD1-CD1 4.06Å; I60-F72 HydrophobicContact CD1-CD2 4.01Å; I60-F72 HydrophobicContact CD1-CE1 3.87Å; I60-F72 HydrophobicContact CD1-CE2 3.79Å; I60-F72 HydrophobicContact CD1-CG 4.12Å; I60-F72 HydrophobicContact CD1-CZ 3.72Å; I60-F72 HydrophobicContact CG2-CB 3.75Å; I60-F72 HydrophobicContact CG2-CD1 4.46Å; I60-F72 HydrophobicContact CG2-CD2 4.37Å; I60-F72 HydrophobicContact CG2-CG 3.96Å; I60-I108 HydrophobicContact CD1-CD1 3.85Å; I60-I108 HydrophobicContact CD1-CG2 4.26Å; I60-V110 HydrophobicContact CG2-CG1 4.25Å; I60-V110 HydrophobicContact CG2-CG2 4.15Å
61	R	92.7	Very high	91.7	Very high	56 Å²	56	79.5 Å²	79.5	21%	0.211	39%	0.393	C	S	.	.			trans	-147.4	147.4	-179.6	63.6	-174.4	179.8	-169.6	-2.2	110.6	M1 V59 F63 T64 P65 F72	M1-R61 HydrophobicContact SD-CB 4.17Å; V59-R61 HydrophobicContact CG1-CG 4.46Å; V59-R61 PolarHBondContact O-N 2.88Å; R61-F63 WeakPolarHBondContact CD-O 3.2Å; R61-F63 VanDerWaalsContact CG-O 3.32Å; R61-F63 WeakPolarHBondContact CG-O 3.47Å; R61-F63 PolarHBondContact NE-O 3.49Å; R61-T64 PolarHBondContact NH2-OG1 2.83Å; R61-P65 VanDerWaalsContact CZ-CD 3.49Å; R61-F72 PolarHBondContact O-N 3.26Å
62	E	92.5	Very high	91.6	Very high	64 Å²	64	75.7 Å²	75.7	30%	0.299	38%	0.378	S	S	.	.	S	Bend	trans	-70.6	-35.5	-179	-168.2	170.3	-175.3	0	0	112.2	F72 K113	E62-F72 WeakPolarHBondContact CA-O 3.25Å; E62-K113 IonicContact OE2-NZ 2.8Å; E62-K113 PolarHBondContact OE2-NZ 3.47Å
63	F	91.7	Very high	91.6	Very high	154 Å²	154	72.1 Å²	72.1	68%	0.675	37%	0.369	S	S	*	.			trans	-127.5	138.9	178.7	-57.7	-67.3	0	0	0	110.8	R61	R61-F63 WeakPolarHBondContact CD-O 3.2Å; R61-F63 VanDerWaalsContact CG-O 3.32Å; R61-F63 WeakPolarHBondContact CG-O 3.47Å; R61-F63 PolarHBondContact NE-O 3.49Å
64	T	88.8	Confident	91.5	Very high	21 Å²	21	66.5 Å²	66.5	13%	0.129	35%	0.345	C	S	.	.			trans	-118.8	126.2	-179.9	173.9	0	0	0	0	112	R61 I66 G69 E71	R61-T64 PolarHBondContact NH2-OG1 2.83Å; T64-I66 WeakPolarHBondContact CG2-O 3.31Å; T64-I66 PolarHBondContact O-N 3.22Å; T64-I66 WeakPolarHBondContact OG1-CB 3.32Å; T64-I66 PolarHBondContact OG1-N 3.43Å; T64-I66 VanDerWaalsContact OG1-N 3.13Å; T64-I66 PolarHBondContact OG1-O 3.46Å; T64-G69 VanDerWaalsContact CG2-C 3.49Å; T64-G69 WeakPolarHBondContact CG2-O 3.17Å; T64-E71 HydrophobicContact CG2-CG 3.35Å; T64-E71 WeakPolarHBondContact CG2-OE1 3.41Å; T64-E71 PolarHBondContact N-OE1 2.9Å
65	P	90	Very high	91.4	Very high	111 Å²	111	66.3 Å²	66.3	72%	0.721	35%	0.351	S	S	*	.	S	Bend	trans	-67.4	-9.2	169.9	28.6	-38.5	0	0	0	113.4	R61 P67	R61-P65 VanDerWaalsContact CZ-CD 3.49Å; P65-P67 WeakPolarHBondContact O-CD 3.41Å
66	I	86.3	Confident	91.4	Very high	99 Å²	99	67.9 Å²	67.9	51%	0.508	35%	0.354	S	S	.	.	S	Bend	trans	-84.4	119.8	177.5	-58	172.7	0	0	0	107.6	T64 N68 G69	T64-I66 WeakPolarHBondContact CG2-O 3.31Å; T64-I66 PolarHBondContact O-N 3.22Å; T64-I66 WeakPolarHBondContact OG1-CB 3.32Å; T64-I66 PolarHBondContact OG1-N 3.43Å; T64-I66 VanDerWaalsContact OG1-N 3.13Å; T64-I66 PolarHBondContact OG1-O 3.46Å; I66-N68 PolarHBondContact O-N 2.76Å; I66-G69 WeakPolarHBondContact O-CA 3.36Å; I66-G69 PolarHBondContact O-N 2.83Å
67	P	85	Confident	91.5	Very high	113 Å²	113	69.2 Å²	69.2	73%	0.734	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	130	171.8	-22.2	32.9	0	0	0	109.5	P65 G69	P65-P67 WeakPolarHBondContact O-CD 3.41Å; P67-G69 PolarHBondContact O-N 2.05Å
68	N	81.9	Confident	91.6	Very high	155 Å²	155	63.5 Å²	63.5	83%	0.829	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	36.5	-171.7	-49.8	-37	0	0	0	112.2	R42 I66	R42-N68 PolarHBondContact NH2-O 3.02Å; I66-N68 PolarHBondContact O-N 2.76Å
69	G	86.4	Confident	91.9	Very high	12 Å²	12	64.5 Å²	64.5	12%	0.124	35%	0.345	C	S	.	.			trans	-81.6	158.6	163.8	0	0	0	0	0	111.8	R42 T64 I66 P67	R42-G69 PolarHBondContact NH1-O 3.32Å; R42-G69 PolarHBondContact NH2-O 2.93Å; T64-G69 VanDerWaalsContact CG2-C 3.49Å; T64-G69 WeakPolarHBondContact CG2-O 3.17Å; I66-G69 WeakPolarHBondContact O-CA 3.36Å; I66-G69 PolarHBondContact O-N 2.83Å; P67-G69 PolarHBondContact O-N 2.05Å
70	L	91.2	Very high	92.1	Very high	28 Å²	28	62.1 Å²	62.1	15%	0.147	33%	0.331	C	S	.	.			trans	-68.8	137.2	178	-63.4	165.5	0	0	0	110.5	M27 R42 V44 L58 F72	M27-L70 HydrophobicContact CB-CD2 4.5Å; M27-L70 HydrophobicContact CE-CD2 4.24Å; M27-L70 HydrophobicContact SD-CD2 3.75Å; R42-L70 HydrophobicContact CG-CD2 4.38Å; V44-L70 HydrophobicContact CG1-CD1 4.13Å; V44-L70 HydrophobicContact CG2-CD1 4.09Å; L58-L70 HydrophobicContact CD2-CD1 3.29Å; L70-F72 HydrophobicContact CB-CD2 4.49Å; L70-F72 HydrophobicContact CB-CE2 3.67Å; L70-F72 HydrophobicContact CB-CZ 4.05Å; L70-F72 HydrophobicContact CD1-CZ 4.43Å
71	E	92.7	Very high	92.4	Very high	91 Å²	91	60.9 Å²	60.9	43%	0.425	32%	0.324	S	S	.	.			trans	-125.1	138.4	178.2	-66.4	-174.3	150.3	0	0	108.7	T64	T64-E71 HydrophobicContact CG2-CG 3.35Å; T64-E71 WeakPolarHBondContact CG2-OE1 3.41Å; T64-E71 PolarHBondContact N-OE1 2.9Å
72	F	93.5	Very high	92.7	Very high	3 Å²	3	58.2 Å²	58.2	1%	0.013	31%	0.314	C	S	.	.			trans	-129.5	99.6	-170.6	-66.5	-84.1	0	0	0	109.6	V59 I60 R61 E62 L70 Y78 F80 I108 V110	V59-F72 WeakPolarHBondContact O-CE2 3.43Å; I60-F72 HydrophobicContact CD1-CD1 4.06Å; I60-F72 HydrophobicContact CD1-CD2 4.01Å; I60-F72 HydrophobicContact CD1-CE1 3.87Å; I60-F72 HydrophobicContact CD1-CE2 3.79Å; I60-F72 HydrophobicContact CD1-CG 4.12Å; I60-F72 HydrophobicContact CD1-CZ 3.72Å; I60-F72 HydrophobicContact CG2-CB 3.75Å; I60-F72 HydrophobicContact CG2-CD1 4.46Å; I60-F72 HydrophobicContact CG2-CD2 4.37Å; I60-F72 HydrophobicContact CG2-CG 3.96Å; R61-F72 PolarHBondContact O-N 3.26Å; E62-F72 WeakPolarHBondContact CA-O 3.25Å; L70-F72 HydrophobicContact CB-CD2 4.49Å; L70-F72 HydrophobicContact CB-CE2 3.67Å; L70-F72 HydrophobicContact CB-CZ 4.05Å; L70-F72 HydrophobicContact CD1-CZ 4.43Å; F72-Y78 WeakPolarHBondContact CA-OH 3.48Å; F72-Y78 HydrophobicContact CB-CE2 4.21Å; F72-Y78 HydrophobicContact CD1-CD1 4.2Å; F72-Y78 AromaticContact CD1-CD2 3.52Å; F72-Y78 HydrophobicContact CD1-CD2 3.52Å; F72-Y78 HydrophobicContact CD1-CE1 4.39Å; F72-Y78 AromaticContact CD1-CE2 3.73Å; F72-Y78 HydrophobicContact CD1-CE2 3.73Å; F72-Y78 AromaticContact CD1-CG 3.78Å; F72-Y78 HydrophobicContact CD1-CG 3.78Å; F72-Y78 HydrophobicContact CE1-CD1 4.33Å; F72-Y78 HydrophobicContact CE1-CD2 4.11Å; F72-Y78 AromaticContact CE1-CG 3.92Å; F72-Y78 HydrophobicContact CE1-CG 3.92Å; F72-Y78 HydrophobicContact CG-CE2 4.41Å; F72-F80 AromaticContact CE1-CZ 3.99Å; F72-F80 HydrophobicContact CE1-CZ 3.99Å; F72-F80 HydrophobicContact CZ-CZ 4.11Å; F72-I108 HydrophobicContact CE1-CD1 4.41Å; F72-V110 HydrophobicContact CB-CG2 4.07Å; F72-V110 HydrophobicContact CD1-CG2 4.2Å
73	E	93.7	Very high	93	Very high	108 Å²	108	55.1 Å²	55.1	51%	0.505	30%	0.3	S	S	.	.			trans	-76.3	137.1	179	-66.7	-174.1	174.9	0	0	111.2	G75 Q76 Y78 V110	E73-G75 PolarHBondContact O-N 3.47Å; E73-Q76 HydrophobicContact CB-CB 4.46Å; E73-Q76 HydrophobicContact CB-CG 3.77Å; E73-Q76 PolarHBondContact O-N 2.92Å; E73-Y78 PolarHBondContact N-OH 2.95Å; E73-V110 WeakPolarHBondContact O-CB 3.2Å
74	P	93.9	Very high	93.3	Very high	26 Å²	26	47.8 Å²	47.8	17%	0.169	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	133.5	173.8	-19.3	30.6	0	0	0	112.4	Y112	P74-Y112 HydrophobicContact CB-CD1 3.75Å; P74-Y112 HydrophobicContact CB-CE1 4.22Å; P74-Y112 HydrophobicContact CB-CG 4.42Å; P74-Y112 VanDerWaalsContact O-CE1 3.27Å; P74-Y112 WeakPolarHBondContact O-CE1 3.25Å
75	G	94.4	Very high	93.7	Very high	34 Å²	34	50.5 Å²	50.5	35%	0.351	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	-6.1	-178.9	0	0	0	0	0	114.8	E73 V110	E73-G75 PolarHBondContact O-N 3.47Å; G75-V110 VanDerWaalsContact CA-O 3.29Å; G75-V110 WeakPolarHBondContact CA-O 3.29Å; G75-V110 PolarHBondContact N-O 3.11Å
76	Q	95.6	Very high	94	Very high	93 Å²	93	45.7 Å²	45.7	44%	0.435	25%	0.252	S	S	.	.			trans	-96.3	158.4	-178.3	-59.6	-58.8	-16.8	0	0	113.2	E73 Y78 V110	E73-Q76 HydrophobicContact CB-CB 4.46Å; E73-Q76 HydrophobicContact CB-CG 3.77Å; E73-Q76 PolarHBondContact O-N 2.92Å; Q76-Y78 HydrophobicContact CB-CD2 4.46Å; Q76-Y78 HydrophobicContact CB-CE2 3.65Å; Q76-V110 PolarHBondContact O-N 2.81Å
77	T	97	Very high	94.5	Very high	45 Å²	45	43.1 Å²	43.1	28%	0.276	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	131.3	171.7	-55.4	0	0	0	0	109.7	Y79 Q107 I108 R109	T77-Y79 HydrophobicContact CG2-CD1 4.46Å; T77-Y79 HydrophobicContact CG2-CE1 3.79Å; T77-Y79 HydrophobicContact CG2-CE2 4.15Å; T77-Q107 HydrophobicContact CG2-CB 4.11Å; T77-Q107 HydrophobicContact CG2-CG 4.43Å; T77-I108 CarbonylContact C-O 3.57Å; T77-I108 WeakPolarHBondContact CA-O 3.5Å; T77-R109 HydrophobicContact CG2-CG 3.86Å
78	Y	97.5	Very high	94.9	Very high	34 Å²	34	42 Å²	42	13%	0.133	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	139.3	-179.5	-63.5	-91.2	0	0	0	109.8	M27 F72 E73 Q76 Q107 I108 V110	M27-Y78 HydrophobicContact SD-CD1 3.91Å; F72-Y78 WeakPolarHBondContact CA-OH 3.48Å; F72-Y78 HydrophobicContact CB-CE2 4.21Å; F72-Y78 HydrophobicContact CD1-CD1 4.2Å; F72-Y78 AromaticContact CD1-CD2 3.52Å; F72-Y78 HydrophobicContact CD1-CD2 3.52Å; F72-Y78 HydrophobicContact CD1-CE1 4.39Å; F72-Y78 AromaticContact CD1-CE2 3.73Å; F72-Y78 HydrophobicContact CD1-CE2 3.73Å; F72-Y78 AromaticContact CD1-CG 3.78Å; F72-Y78 HydrophobicContact CD1-CG 3.78Å; F72-Y78 HydrophobicContact CE1-CD1 4.33Å; F72-Y78 HydrophobicContact CE1-CD2 4.11Å; F72-Y78 AromaticContact CE1-CG 3.92Å; F72-Y78 HydrophobicContact CE1-CG 3.92Å; F72-Y78 HydrophobicContact CG-CE2 4.41Å; E73-Y78 PolarHBondContact N-OH 2.95Å; Q76-Y78 HydrophobicContact CB-CD2 4.46Å; Q76-Y78 HydrophobicContact CB-CE2 3.65Å; Y78-Q107 CarbonylContact O-C 3.55Å; Y78-Q107 WeakPolarHBondContact O-CA 3.21Å; Y78-I108 PolarHBondContact N-O 2.82Å; Y78-I108 PolarHBondContact O-N 3.06Å; Y78-V110 HydrophobicContact CD2-CG2 3.81Å; Y78-V110 HydrophobicContact CE2-CG2 3.75Å
79	Y	98.5	Very high	95.6	Very high	28 Å²	28	40.4 Å²	40.4	11%	0.11	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	138.7	-172.4	-55.5	-84.7	0	0	0	111.6	M27 V28 E30 Y33 T77 Q107	M27-Y79 CarbonylContact C-O 3.57Å; M27-Y79 VanDerWaalsContact CA-O 3.29Å; M27-Y79 WeakPolarHBondContact CA-O 3.31Å; V28-Y79 PolarHBondContact N-O 2.53Å; E30-Y79 HydrophobicContact CB-CD2 4.05Å; E30-Y79 HydrophobicContact CB-CE2 3.56Å; E30-Y79 HydrophobicContact CG-CE1 4.5Å; E30-Y79 HydrophobicContact CG-CE2 3.96Å; E30-Y79 PolarHBondContact OE1-OH 2.81Å; Y33-Y79 AromaticContact CD1-CD1 3.79Å; Y33-Y79 HydrophobicContact CD1-CD1 3.79Å; Y33-Y79 HydrophobicContact CD1-CE1 4.29Å; Y33-Y79 AromaticContact CD2-CD1 3.89Å; Y33-Y79 HydrophobicContact CD2-CD1 3.89Å; Y33-Y79 HydrophobicContact CD2-CG 4.28Å; Y33-Y79 HydrophobicContact CE1-CD1 4.24Å; Y33-Y79 HydrophobicContact CE2-CD1 4.31Å; Y33-Y79 AromaticContact CG-CD1 3.6Å; Y33-Y79 HydrophobicContact CG-CD1 3.6Å; Y33-Y79 HydrophobicContact CG-CG 4.03Å; T77-Y79 HydrophobicContact CG2-CD1 4.46Å; T77-Y79 HydrophobicContact CG2-CE1 3.79Å; T77-Y79 HydrophobicContact CG2-CE2 4.15Å; Y79-Q107 HydrophobicContact CD1-CB 3.77Å; Y79-Q107 HydrophobicContact CE1-CB 4.06Å
80	F	98.5	Very high	96.1	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.1	-174.8	-61.5	-95.7	0	0	0	110.7	Y26 M27 V44 L58 F72 K105 F106 I108	Y26-F80 CarbonylContact O-C 3.6Å; Y26-F80 WeakPolarHBondContact O-CA 3.49Å; M27-F80 HydrophobicContact CB-CD1 4.08Å; M27-F80 HydrophobicContact CB-CE1 3.87Å; M27-F80 HydrophobicContact CG-CD1 4.5Å; M27-F80 HydrophobicContact CG-CE1 4.09Å; M27-F80 HydrophobicContact CG-CZ 4.24Å; M27-F80 HydrophobicContact SD-CZ 4.49Å; V44-F80 HydrophobicContact CG1-CE1 4.45Å; V44-F80 HydrophobicContact CG2-CD1 3.93Å; V44-F80 HydrophobicContact CG2-CE1 3.8Å; L58-F80 HydrophobicContact CD1-CD1 4.44Å; L58-F80 HydrophobicContact CD1-CE1 3.94Å; L58-F80 HydrophobicContact CD1-CZ 4.19Å; F72-F80 AromaticContact CE1-CZ 3.99Å; F72-F80 HydrophobicContact CE1-CZ 3.99Å; F72-F80 HydrophobicContact CZ-CZ 4.11Å; F80-K105 CarbonylContact O-C 3.46Å; F80-K105 WeakPolarHBondContact O-CA 3.03Å; F80-K105 WeakPolarHBondContact O-CB 3.38Å; F80-F106 HydrophobicContact CB-CD1 3.78Å; F80-F106 HydrophobicContact CB-CD2 4.1Å; F80-F106 HydrophobicContact CB-CE1 3.37Å; F80-F106 HydrophobicContact CB-CE2 3.72Å; F80-F106 HydrophobicContact CB-CG 4.12Å; F80-F106 HydrophobicContact CB-CZ 3.34Å; F80-F106 HydrophobicContact CD1-CE2 4.3Å; F80-F106 AromaticContact CD1-CZ 3.9Å; F80-F106 HydrophobicContact CD1-CZ 3.9Å; F80-F106 AromaticContact CD2-CD2 3.87Å; F80-F106 HydrophobicContact CD2-CD2 3.87Å; F80-F106 AromaticContact CD2-CE2 3.35Å; F80-F106 HydrophobicContact CD2-CE2 3.35Å; F80-F106 AromaticContact CD2-CZ 3.76Å; F80-F106 HydrophobicContact CD2-CZ 3.76Å; F80-F106 HydrophobicContact CE2-CE2 4.02Å; F80-F106 HydrophobicContact CG-CD2 4.23Å; F80-F106 AromaticContact CG-CE1 3.99Å; F80-F106 HydrophobicContact CG-CE1 3.99Å; F80-F106 AromaticContact CG-CE2 3.52Å; F80-F106 HydrophobicContact CG-CE2 3.52Å; F80-F106 AromaticContact CG-CZ 3.39Å; F80-F106 HydrophobicContact CG-CZ 3.39Å; F80-F106 PolarHBondContact N-O 3.43Å; F80-F106 PolarHBondContact O-N 2.73Å; F80-I108 HydrophobicContact CD2-CD1 4.34Å; F80-I108 HydrophobicContact CD2-CG1 4.24Å; F80-I108 HydrophobicContact CE2-CB 4.28Å; F80-I108 HydrophobicContact CE2-CD1 3.59Å; F80-I108 HydrophobicContact CE2-CG1 3.76Å; F80-I108 HydrophobicContact CZ-CD1 4.03Å
81	I	98.6	Very high	96.4	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.015	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	163.9	-179.3	70.1	175.3	0	0	0	111.7	Y26 V28 Y33 L38 T83 C99 K105	Y26-I81 PolarHBondContact N-O 3.26Å; Y26-I81 PolarHBondContact O-N 3.11Å; V28-I81 HydrophobicContact CG1-CD1 3.9Å; V28-I81 HydrophobicContact CG1-CG1 3.87Å; V28-I81 HydrophobicContact CG2-CD1 4.03Å; V28-I81 HydrophobicContact CG2-CG1 3.97Å; V28-I81 HydrophobicContact CG2-CG2 3.95Å; Y33-I81 HydrophobicContact CD2-CG2 3.81Å; Y33-I81 HydrophobicContact CG-CG2 4.5Å; L38-I81 HydrophobicContact CD2-CD1 4.14Å; L38-I81 HydrophobicContact CD2-CG1 4.3Å; I81-T83 HydrophobicContact CD1-CG2 3.77Å; I81-T83 HydrophobicContact CG1-CG2 4.42Å; I81-C99 HydrophobicContact CB-CB 4.23Å; I81-K105 HydrophobicContact CB-CB 4.31Å; I81-K105 HydrophobicContact CG2-CB 3.7Å
82	S	98.5	Very high	96.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.215	C	C	.	.			trans	-123.7	120.7	159.1	-171.6	0	0	0	0	110.3	I24 S84 L98 C99 M104	I24-S82 WeakPolarHBondContact O-CA 3.45Å; I24-S82 VanDerWaalsContact O-CB 3.27Å; I24-S82 WeakPolarHBondContact O-CB 3.36Å; I24-S82 PolarHBondContact O-OG 3.2Å; S82-S84 PolarHBondContact OG-OG 2.6Å; S82-L98 CarbonylContact O-C 3.35Å; S82-C99 WeakPolarHBondContact O-CA 3.37Å; S82-C99 VanDerWaalsContact O-CB 3.26Å; S82-C99 WeakPolarHBondContact O-CB 3.45Å; S82-C99 PolarHBondContact O-N 3.32Å; S82-M104 PolarHBondContact N-O 3.39Å; S82-M104 VanDerWaalsContact N-O 3.11Å
83	T	98.7	Very high	96.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.229	C	C	.	.			trans	-94.5	1.8	174.3	49.4	0	0	0	0	112.8	L38 I81 N93 G97	L38-T83 HydrophobicContact CD2-CG2 3.91Å; L38-T83 WeakPolarHBondContact CD2-OG1 3.18Å; L38-T83 HydrophobicContact CG-CG2 4.11Å; L38-T83 WeakPolarHBondContact CG-OG1 3.17Å; I81-T83 HydrophobicContact CD1-CG2 3.77Å; I81-T83 HydrophobicContact CG1-CG2 4.42Å; T83-N93 VanDerWaalsContact CB-O 3.25Å; T83-N93 WeakPolarHBondContact CB-O 3.45Å; T83-N93 WeakPolarHBondContact O-CB 3.39Å; T83-N93 PolarHBondContact OG1-O 2.85Å; T83-G97 WeakPolarHBondContact O-CA 3.17Å
84	S	98.2	Very high	97	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.227	C	C	.	.			trans	-60.3	149.5	170.1	-51	0	0	0	0	110.2	S23 I24 S82 G90 V91 G97 L98	S23-S84 WeakPolarHBondContact CA-OG 3.35Å; I24-S84 PolarHBondContact N-OG 3.15Å; S82-S84 PolarHBondContact OG-OG 2.6Å; S84-G90 WeakPolarHBondContact CA-O 3.44Å; S84-V91 PolarHBondContact OG-O 3.19Å; S84-G97 CarbonylContact O-C 3.57Å; S84-G97 WeakPolarHBondContact O-CA 3.44Å; S84-L98 WeakPolarHBondContact O-CB 3.38Å; S84-L98 WeakPolarHBondContact O-CD1 3.42Å; S84-L98 WeakPolarHBondContact O-CG 3.09Å; S84-L98 PolarHBondContact O-N 3.2Å
85	D	97.5	Very high	97.2	Very high	77 Å²	77	48.8 Å²	48.8	41%	0.412	25%	0.249	S	C	.	.			trans	-91.6	0.3	175	63.4	14.3	0	0	0	114.1	S87 G90 N93	D85-S87 WeakPolarHBondContact OD1-CB 3.02Å; D85-S87 PolarHBondContact OD1-N 3.47Å; D85-S87 PolarHBondContact OD1-OG 2.73Å; D85-G90 PolarHBondContact N-O 3.31Å; D85-G90 WeakPolarHBondContact OD1-CA 3.44Å; D85-G90 WeakPolarHBondContact OD2-CA 3.37Å; D85-N93 PolarHBondContact OD2-ND2 3.01Å
86	G	96.4	Very high	97.4	Very high	11 Å²	11	47.6 Å²	47.6	11%	0.113	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	96.4	-15.9	-176.5	0	0	0	0	0	113.4	E21 Y22	E21-G86 CarbonylContact C-O 3.58Å; E21-G86 VanDerWaalsContact CA-O 3.28Å; E21-G86 WeakPolarHBondContact CA-O 3.27Å; Y22-G86 PolarHBondContact N-O 2.84Å; Y22-G86 WeakPolarHBondContact O-CA 3.17Å
87	S	96.4	Very high	97.5	Very high	45 Å²	45	44 Å²	44	32%	0.315	23%	0.225	S	C	.	.	S	Bend	trans	-88.6	159.2	174.4	77.5	0	0	0	0	111.7	D85 N89 G90 V91	D85-S87 WeakPolarHBondContact OD1-CB 3.02Å; D85-S87 PolarHBondContact OD1-N 3.47Å; D85-S87 PolarHBondContact OD1-OG 2.73Å; S87-N89 VanDerWaalsContact C-N 3.27Å; S87-N89 PolarHBondContact O-N 2.91Å; S87-N89 PolarHBondContact OG-N 2.82Å; S87-G90 PolarHBondContact OG-N 2.78Å; S87-V91 PolarHBondContact O-N 3.09Å; S87-V91 VanDerWaalsContact O-N 3.15Å
88	M	94.5	Very high	97.6	Very high	89 Å²	89	42.8 Å²	42.8	44%	0.438	22%	0.217	S	C	.	.	S	Bend	trans	-62.3	-36.1	172.4	-173.1	68.8	84	0	0	111.9	Y22 V91	Y22-M88 HydrophobicContact CD1-CE 3.47Å; Y22-M88 VanDerWaalsContact CD1-CE 3.47Å; Y22-M88 HydrophobicContact CD1-SD 3.85Å; Y22-M88 HydrophobicContact CD2-CB 4Å; Y22-M88 HydrophobicContact CD2-CE 4.38Å; Y22-M88 HydrophobicContact CE1-CE 3.1Å; Y22-M88 HydrophobicContact CE1-SD 4.12Å; Y22-M88 HydrophobicContact CE2-CB 4.17Å; Y22-M88 HydrophobicContact CE2-CE 4.08Å; Y22-M88 HydrophobicContact CG-CB 4.35Å; Y22-M88 HydrophobicContact CG-CE 4.11Å; Y22-M88 HydrophobicContact CG-SD 4.11Å; Y22-M88 VanDerWaalsContact CZ-CE 3.44Å; M88-V91 WeakPolarHBondContact O-CB 3.47Å; M88-V91 WeakPolarHBondContact O-CG1 3.36Å
89	N	95.7	Very high	97.6	Very high	121 Å²	121	41.3 Å²	41.3	65%	0.647	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-38.8	-177.3	-68.9	-18.3	0	0	0	112.1	S87 V91	S87-N89 VanDerWaalsContact C-N 3.27Å; S87-N89 PolarHBondContact O-N 2.91Å; S87-N89 PolarHBondContact OG-N 2.82Å; N89-V91 VanDerWaalsContact C-N 3.32Å
90	G	96.8	Very high	97.6	Very high	4 Å²	4	43.1 Å²	43.1	4%	0.041	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	11.5	177.9	0	0	0	0	0	114.2	S84 D85 S87 H92 N93	S84-G90 WeakPolarHBondContact CA-O 3.44Å; D85-G90 PolarHBondContact N-O 3.31Å; D85-G90 WeakPolarHBondContact OD1-CA 3.44Å; D85-G90 WeakPolarHBondContact OD2-CA 3.37Å; S87-G90 PolarHBondContact OG-N 2.78Å; G90-H92 PolarHBondContact O-N 3.29Å; G90-N93 VanDerWaalsContact O-CB 3.32Å; G90-N93 WeakPolarHBondContact O-CB 3.5Å; G90-N93 PolarHBondContact O-N 3.44Å; G90-N93 VanDerWaalsContact O-N 3.15Å; G90-N93 PolarHBondContact O-ND2 3.47Å
91	V	97	Very high	97.6	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.018	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-30	-176.8	78.8	0	0	0	0	112.7	I24 Y48 S84 S87 M88 N89	I24-V91 HydrophobicContact CG1-CG2 4.13Å; Y48-V91 HydrophobicContact CD1-CG2 4.32Å; Y48-V91 HydrophobicContact CE1-CG1 4.48Å; Y48-V91 HydrophobicContact CE1-CG2 3.42Å; Y48-V91 VanDerWaalsContact CE1-CG2 3.42Å; S84-V91 PolarHBondContact OG-O 3.19Å; S87-V91 PolarHBondContact O-N 3.09Å; S87-V91 VanDerWaalsContact O-N 3.15Å; M88-V91 WeakPolarHBondContact O-CB 3.47Å; M88-V91 WeakPolarHBondContact O-CG1 3.36Å; N89-V91 VanDerWaalsContact C-N 3.32Å
92	H	97.5	Very high	97.6	Very high	111 Å²	111	50 Å²	50	51%	0.514	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	12	-179.9	-66.8	-63.7	0	0	0	114	I24 Y48 G90 R94	I24-H92 WeakPolarHBondContact CD1-ND1 3.48Å; Y48-H92 PolarHBondContact OH-CE1 3.1Å; Y48-H92 PolarHBondContact OH-NE2 3.3Å; G90-H92 PolarHBondContact O-N 3.29Å; H92-R94 PolarHBondContact O-N 3.03Å
93	N	98.1	Very high	97.5	Very high	59 Å²	59	53.9 Å²	53.9	32%	0.316	31%	0.311	S	S	.	.			trans	-54.9	134.9	173.3	-75.5	-13	0	0	0	110	T83 D85 G90	T83-N93 VanDerWaalsContact CB-O 3.25Å; T83-N93 WeakPolarHBondContact CB-O 3.45Å; T83-N93 WeakPolarHBondContact O-CB 3.39Å; T83-N93 PolarHBondContact OG1-O 2.85Å; D85-N93 PolarHBondContact OD2-ND2 3.01Å; G90-N93 VanDerWaalsContact O-CB 3.32Å; G90-N93 WeakPolarHBondContact O-CB 3.5Å; G90-N93 PolarHBondContact O-N 3.44Å; G90-N93 VanDerWaalsContact O-N 3.15Å; G90-N93 PolarHBondContact O-ND2 3.47Å
94	R	98.2	Very high	97.4	Very high	122 Å²	122	56.4 Å²	56.4	46%	0.46	32%	0.323	S	S	.	.			trans	-101.9	3.4	-177.2	-54.6	-167.1	82.2	-105.5	6	114.1	L38 E41 H92	L38-R94 HydrophobicContact CB-CB 4.32Å; L38-R94 HydrophobicContact CD1-CB 3.98Å; L38-R94 HydrophobicContact CD1-CG 4Å; L38-R94 HydrophobicContact CG-CB 4.23Å; L38-R94 PolarHBondContact N-O 3.2Å; E41-R94 IonicContact OE1-CZ 2.79Å; E41-R94 IonicContact OE1-NH2 2.64Å; E41-R94 PolarHBondContact OE1-NH2 2.97Å; E41-R94 IonicContact OE2-NH2 2.9Å; E41-R94 PolarHBondContact OE2-NH2 3.17Å; H92-R94 PolarHBondContact O-N 3.03Å
95	F	98.5	Very high	97.4	Very high	145 Å²	145	59.4 Å²	59.4	64%	0.636	34%	0.336	S	S	*	.	B	Isolated β-bridge	trans	-149.4	141.6	-175.6	179.1	-97.6	0	0	0	110.9	C36 V37 G97	C36-F95 CarbonylContact O-C 3.59Å; C36-F95 WeakPolarHBondContact O-CA 3.5Å; V37-F95 HydrophobicContact CB-CD2 3.95Å; V37-F95 HydrophobicContact CG2-CD2 4.11Å; F95-G97 PolarHBondContact O-N 3.35Å
96	G	98	Very high	97.4	Very high	9 Å²	9	57.4 Å²	57.4	9%	0.093	32%	0.324	C	S	.	.	S	Bend	trans	68.2	-111.6	177.2	0	0	0	0	0	112.7	C36 C99 A100	C36-G96 PolarHBondContact O-N 2.79Å; G96-C99 WeakPolarHBondContact O-CB 3.03Å; G96-C99 PolarHBondContact O-N 3.17Å; G96-A100 PolarHBondContact O-N 3.44Å
97	G	98.2	Very high	97.5	Very high	18 Å²	18	59.8 Å²	59.8	19%	0.186	33%	0.332	C	S	.	.	H	α-helix	trans	56.3	-147.3	-177.9	0	0	0	0	0	113.6	T83 S84 F95 C99 A100 S101	T83-G97 WeakPolarHBondContact O-CA 3.17Å; S84-G97 CarbonylContact O-C 3.57Å; S84-G97 WeakPolarHBondContact O-CA 3.44Å; F95-G97 PolarHBondContact O-N 3.35Å; G97-C99 PolarHBondContact O-N 2.97Å; G97-A100 PolarHBondContact O-N 2.77Å; G97-S101 WeakPolarHBondContact O-CB 3.5Å; G97-S101 PolarHBondContact O-N 2.74Å; G97-S101 PolarHBondContact O-OG 2.8Å
98	L	98.3	Very high	97.5	Very high	20 Å²	20	58.6 Å²	58.6	11%	0.105	32%	0.322	C	S	.	.	H	α-helix	trans	-57.6	-29.1	-179.5	-71.6	163.5	0	0	0	112.4	S82 S84 A102 S103 M104	S82-L98 CarbonylContact O-C 3.35Å; S84-L98 WeakPolarHBondContact O-CB 3.38Å; S84-L98 WeakPolarHBondContact O-CD1 3.42Å; S84-L98 WeakPolarHBondContact O-CG 3.09Å; S84-L98 PolarHBondContact O-N 3.2Å; L98-A102 HydrophobicContact CD2-CB 4.15Å; L98-A102 CarbonylContact O-C 3.52Å; L98-A102 WeakPolarHBondContact O-CA 3.44Å; L98-A102 WeakPolarHBondContact O-CB 3.33Å; L98-A102 PolarHBondContact O-N 3.2Å; L98-S103 PolarHBondContact O-N 3.27Å; L98-M104 HydrophobicContact CB-CB 3.73Å; L98-M104 HydrophobicContact CB-CG 4.4Å; L98-M104 HydrophobicContact CB-SD 3.87Å; L98-M104 HydrophobicContact CD1-SD 3.7Å; L98-M104 HydrophobicContact CG-SD 4.29Å; L98-M104 WeakPolarHBondContact O-CB 3.28Å; L98-M104 PolarHBondContact O-N 3.15Å
99	C	98.6	Very high	97.5	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.014	33%	0.334	C	S	.	.	H	α-helix	trans	-59	-47.4	173.1	177.7	0	0	0	0	111.1	C36 I81 S82 G96 G97 S103	C36-C99 WeakPolarHBondContact CA-SG 3.46Å; C36-C99 HydrophobicContact CB-CB 3.66Å; C36-C99 WeakPolarHBondContact CB-SG 3.44Å; C36-C99 WeakPolarHBondContact SG-CB 3.28Å; C36-C99 PolarHBondContact SG-O 3.31Å; C36-C99 CovalentContact SG-SG 2.05Å; C36-C99 PolarHBondContact SG-SG 3.46Å; I81-C99 HydrophobicContact CB-CB 4.23Å; S82-C99 WeakPolarHBondContact O-CA 3.37Å; S82-C99 VanDerWaalsContact O-CB 3.26Å; S82-C99 WeakPolarHBondContact O-CB 3.45Å; S82-C99 PolarHBondContact O-N 3.32Å; G96-C99 WeakPolarHBondContact O-CB 3.03Å; G96-C99 PolarHBondContact O-N 3.17Å; G97-C99 PolarHBondContact O-N 2.97Å; C99-S103 VanDerWaalsContact O-CA 3.31Å; C99-S103 WeakPolarHBondContact O-CA 3.36Å; C99-S103 PolarHBondContact O-N 3.33Å
100	A	98.4	Very high	97.5	Very high	66 Å²	66	58.4 Å²	58.4	55%	0.545	31%	0.31	S	S	.	.	H	α-helix	trans	-85.6	-40.5	-177.6	0	0	0	0	0	112.7	C36 G96 G97	C36-A100 HydrophobicContact CB-CB 4.2Å; C36-A100 PolarHBondContact SG-N 3.13Å; C36-A100 VanDerWaalsContact SG-N 3.43Å; G96-A100 PolarHBondContact O-N 3.44Å; G97-A100 PolarHBondContact O-N 2.77Å
101	S	98.1	Very high	97.2	Very high	95 Å²	95	61 Å²	61	66%	0.664	34%	0.337	S	S	*	.	H	α-helix	trans	-81.2	-29.9	-174.4	67.9	0	0	0	0	113.5	G97	G97-S101 WeakPolarHBondContact O-CB 3.5Å; G97-S101 PolarHBondContact O-N 2.74Å; G97-S101 PolarHBondContact O-OG 2.8Å
102	A	97.2	Very high	96.9	Very high	52 Å²	52	67.8 Å²	67.8	43%	0.43	36%	0.363	S	S	.	.	H	α-helix	trans	-130.6	8.8	-172	0	0	0	0	0	113.9	L98 M104	L98-A102 HydrophobicContact CD2-CB 4.15Å; L98-A102 CarbonylContact O-C 3.52Å; L98-A102 WeakPolarHBondContact O-CA 3.44Å; L98-A102 WeakPolarHBondContact O-CB 3.33Å; L98-A102 PolarHBondContact O-N 3.2Å; A102-M104 PolarHBondContact O-N 3.23Å
103	S	97.1	Very high	96	Very high	83 Å²	83	70.3 Å²	70.3	58%	0.58	37%	0.372	S	S	*	.			trans	51.5	35.1	-174.5	-59.6	0	0	0	0	112.6	L98 C99 K105	L98-S103 PolarHBondContact O-N 3.27Å; C99-S103 VanDerWaalsContact O-CA 3.31Å; C99-S103 WeakPolarHBondContact O-CA 3.36Å; C99-S103 PolarHBondContact O-N 3.33Å; S103-K105 PolarHBondContact O-N 3.36Å
104	M	97.4	Very high	94.7	Very high	52 Å²	52	71.4 Å²	71.4	26%	0.256	40%	0.398	S	S	.	.			trans	-75.3	73.2	176.9	-168.3	176	176.5	0	0	109.8	S82 L98 A102	S82-M104 PolarHBondContact N-O 3.39Å; S82-M104 VanDerWaalsContact N-O 3.11Å; L98-M104 HydrophobicContact CB-CB 3.73Å; L98-M104 HydrophobicContact CB-CG 4.4Å; L98-M104 HydrophobicContact CB-SD 3.87Å; L98-M104 HydrophobicContact CD1-SD 3.7Å; L98-M104 HydrophobicContact CG-SD 4.29Å; L98-M104 WeakPolarHBondContact O-CB 3.28Å; L98-M104 PolarHBondContact O-N 3.15Å; A102-M104 PolarHBondContact O-N 3.23Å
105	K	97.9	Very high	92.9	Very high	64 Å²	64	72 Å²	72	28%	0.278	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	147.8	179	64.9	-175.3	-167.5	177.8	0	111	Y33 F80 I81 S103	Y33-K105 HydrophobicContact CD2-CB 3.99Å; Y33-K105 HydrophobicContact CD2-CD 4.06Å; Y33-K105 HydrophobicContact CD2-CG 4.32Å; Y33-K105 HydrophobicContact CE1-CD 4.29Å; Y33-K105 HydrophobicContact CE2-CB 3.55Å; Y33-K105 HydrophobicContact CE2-CD 3.73Å; Y33-K105 HydrophobicContact CE2-CG 3.63Å; Y33-K105 HydrophobicContact CG-CD 4.49Å; Y33-K105 PolarHBondContact O-NZ 2.97Å; F80-K105 CarbonylContact O-C 3.46Å; F80-K105 WeakPolarHBondContact O-CA 3.03Å; F80-K105 WeakPolarHBondContact O-CB 3.38Å; I81-K105 HydrophobicContact CB-CB 4.31Å; I81-K105 HydrophobicContact CG2-CB 3.7Å; S103-K105 PolarHBondContact O-N 3.36Å
106	F	97.7	Very high	90.9	Very high	35 Å²	35	73.6 Å²	73.6	15%	0.154	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	164.2	175.7	66.8	-85.7	0	0	0	110.9	L4 I6 I25 L58 F80 I108 L214	L4-F106 HydrophobicContact CD2-CD2 4.32Å; L4-F106 HydrophobicContact CD2-CE2 3.6Å; L4-F106 HydrophobicContact CD2-CZ 4.13Å; I6-F106 HydrophobicContact CD1-CE1 4.05Å; I6-F106 HydrophobicContact CD1-CZ 3.86Å; I25-F106 HydrophobicContact CG2-CE1 4.47Å; L58-F106 HydrophobicContact CD1-CZ 4.27Å; F80-F106 HydrophobicContact CB-CD1 3.78Å; F80-F106 HydrophobicContact CB-CD2 4.1Å; F80-F106 HydrophobicContact CB-CE1 3.37Å; F80-F106 HydrophobicContact CB-CE2 3.72Å; F80-F106 HydrophobicContact CB-CG 4.12Å; F80-F106 HydrophobicContact CB-CZ 3.34Å; F80-F106 HydrophobicContact CD1-CE2 4.3Å; F80-F106 AromaticContact CD1-CZ 3.9Å; F80-F106 HydrophobicContact CD1-CZ 3.9Å; F80-F106 AromaticContact CD2-CD2 3.87Å; F80-F106 HydrophobicContact CD2-CD2 3.87Å; F80-F106 AromaticContact CD2-CE2 3.35Å; F80-F106 HydrophobicContact CD2-CE2 3.35Å; F80-F106 AromaticContact CD2-CZ 3.76Å; F80-F106 HydrophobicContact CD2-CZ 3.76Å; F80-F106 HydrophobicContact CE2-CE2 4.02Å; F80-F106 HydrophobicContact CG-CD2 4.23Å; F80-F106 AromaticContact CG-CE1 3.99Å; F80-F106 HydrophobicContact CG-CE1 3.99Å; F80-F106 AromaticContact CG-CE2 3.52Å; F80-F106 HydrophobicContact CG-CE2 3.52Å; F80-F106 AromaticContact CG-CZ 3.39Å; F80-F106 HydrophobicContact CG-CZ 3.39Å; F80-F106 PolarHBondContact N-O 3.43Å; F80-F106 PolarHBondContact O-N 2.73Å; F106-I108 HydrophobicContact CD2-CG1 4.19Å; F106-I108 HydrophobicContact CE2-CD1 4.08Å; F106-I108 HydrophobicContact CE2-CG1 4.01Å; F106-L214 HydrophobicContact CB-CD1 4.35Å; F106-L214 HydrophobicContact CD2-CD1 4.11Å; F106-L214 HydrophobicContact CG-CD1 4.31Å
107	Q	97.3	Very high	88.5	Confident	61 Å²	61	82.5 Å²	82.5	29%	0.285	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	146.6	176.7	71.5	-173.4	29.5	0	0	110.4	T77 Y78 Y79 R109	T77-Q107 HydrophobicContact CG2-CB 4.11Å; T77-Q107 HydrophobicContact CG2-CG 4.43Å; Y78-Q107 CarbonylContact O-C 3.55Å; Y78-Q107 WeakPolarHBondContact O-CA 3.21Å; Y79-Q107 HydrophobicContact CD1-CB 3.77Å; Y79-Q107 HydrophobicContact CE1-CB 4.06Å; Q107-R109 VanDerWaalsContact NE2-NE 3.13Å
108	I	96.2	Very high	86.1	Confident	19 Å²	19	90.4 Å²	90.4	10%	0.097	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.8	174.3	-58.4	-179	0	0	0	107.9	L4 L58 I60 F72 T77 Y78 F80 F106 V110	L4-I108 HydrophobicContact CD2-CD1 3.83Å; L4-I108 HydrophobicContact CD2-CG1 4.42Å; L58-I108 HydrophobicContact CD1-CD1 4.42Å; I60-I108 HydrophobicContact CD1-CD1 3.85Å; I60-I108 HydrophobicContact CD1-CG2 4.26Å; F72-I108 HydrophobicContact CE1-CD1 4.41Å; T77-I108 CarbonylContact C-O 3.57Å; T77-I108 WeakPolarHBondContact CA-O 3.5Å; Y78-I108 PolarHBondContact N-O 2.82Å; Y78-I108 PolarHBondContact O-N 3.06Å; F80-I108 HydrophobicContact CD2-CD1 4.34Å; F80-I108 HydrophobicContact CD2-CG1 4.24Å; F80-I108 HydrophobicContact CE2-CB 4.28Å; F80-I108 HydrophobicContact CE2-CD1 3.59Å; F80-I108 HydrophobicContact CE2-CG1 3.76Å; F80-I108 HydrophobicContact CZ-CD1 4.03Å; F106-I108 HydrophobicContact CD2-CG1 4.19Å; F106-I108 HydrophobicContact CE2-CD1 4.08Å; F106-I108 HydrophobicContact CE2-CG1 4.01Å; I108-V110 HydrophobicContact CG2-CG2 4.16Å
109	R	96.2	Very high	83.7	Confident	184 Å²	184	95.7 Å²	95.7	69%	0.694	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	114.4	173.3	-64.3	-175.4	175.1	179.3	-3.2	109	T77 Q107	T77-R109 HydrophobicContact CG2-CG 3.86Å; Q107-R109 VanDerWaalsContact NE2-NE 3.13Å
110	V	94.5	Very high	81.6	Confident	22 Å²	22	101.5 Å²	101.5	13%	0.133	54%	0.535	C	S	.	.	P	Polyproline II helix	trans	-91.6	118.9	-176.2	-172.8	0	0	0	0	108.7	I60 F72 E73 G75 Q76 Y78 I108	I60-V110 HydrophobicContact CG2-CG1 4.25Å; I60-V110 HydrophobicContact CG2-CG2 4.15Å; F72-V110 HydrophobicContact CB-CG2 4.07Å; F72-V110 HydrophobicContact CD1-CG2 4.2Å; E73-V110 WeakPolarHBondContact O-CB 3.2Å; G75-V110 VanDerWaalsContact CA-O 3.29Å; G75-V110 WeakPolarHBondContact CA-O 3.29Å; G75-V110 PolarHBondContact N-O 3.11Å; Q76-V110 PolarHBondContact O-N 2.81Å; Y78-V110 HydrophobicContact CD2-CG2 3.81Å; Y78-V110 HydrophobicContact CE2-CG2 3.75Å; I108-V110 HydrophobicContact CG2-CG2 4.16Å
111	G	91.6	Very high	79.6	Confident	59 Å²	59	105.9 Å²	105.9	61%	0.608	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-76.4	157.8	178.1	0	0	0	0	0	113.1
112	Y	90.3	Very high	77.4	Confident	145 Å²	145	105.7 Å²	105.7	57%	0.569	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-68.4	134.9	167.3	-69.9	-75.1	0	0	0	111.7	P74 G114 L115	P74-Y112 HydrophobicContact CB-CD1 3.75Å; P74-Y112 HydrophobicContact CB-CE1 4.22Å; P74-Y112 HydrophobicContact CB-CG 4.42Å; P74-Y112 VanDerWaalsContact O-CE1 3.27Å; P74-Y112 WeakPolarHBondContact O-CE1 3.25Å; Y112-G114 PolarHBondContact O-N 2.86Å; Y112-L115 HydrophobicContact CD2-CD1 4.04Å; Y112-L115 HydrophobicContact CG-CD1 4.1Å
113	K	78.4	Confident	75.2	Confident	165 Å²	165	111.2 Å²	111.2	72%	0.717	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	119.1	168.1	-65.5	170.9	-176.2	158.2	0	108.2	E62	E62-K113 IonicContact OE2-NZ 2.8Å; E62-K113 PolarHBondContact OE2-NZ 3.47Å
114	G	71.6	Confident	72.8	Confident	82 Å²	82	119 Å²	119	85%	0.845	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	94.4	5.8	171.3	0	0	0	0	0	118.2	Y112	Y112-G114 PolarHBondContact O-N 2.86Å
115	L	60	Low	70.7	Confident	134 Å²	134	122.5 Å²	122.5	70%	0.702	61%	0.605	S	S	*	*			trans	-102.4	7.8	179.3	-79.3	176.3	0	0	0	116.3	Y112 K117	Y112-L115 HydrophobicContact CD2-CD1 4.04Å; Y112-L115 HydrophobicContact CG-CD1 4.1Å; L115-K117 PolarHBondContact O-N 2.96Å
116	R	55.8	Low	68.4	Low	179 Å²	179	124.2 Å²	124.2	68%	0.675	62%	0.623	S	S	*	*			trans	-88.7	69.9	169.5	-78.4	-169.7	169.3	-170.6	-1.7	111.5	W118 E216	R116-W118 PolarHBondContact O-N 3.48Å; R116-E216 IonicContact NH2-OE1 3.8Å; R116-E216 PolarHBondContact NH2-OE1 2.66Å
117	K	48.9	Very low	66	Low	196 Å²	196	128.1 Å²	128.1	85%	0.852	65%	0.651	S	S	*	*			trans	-78.1	105.2	142.1	-82.1	-171.7	-179.8	179.9	0	105.5	L115 N119	L115-K117 PolarHBondContact O-N 2.96Å; K117-N119 PolarHBondContact O-N 2.87Å
118	W	46.9	Very low	63.6	Low	183 Å²	183	137.1 Å²	137.1	69%	0.693	68%	0.683	S	S	*	*			trans	-57.2	105.6	169.2	-114.2	84.8	0	0	0	107.8	R116 T120	R116-W118 PolarHBondContact O-N 3.48Å; W118-T120 VanDerWaalsContact C-N 3.26Å; W118-T120 HydrophobicContact CE3-CG2 4Å; W118-T120 HydrophobicContact CZ3-CG2 4.48Å; W118-T120 PolarHBondContact O-N 3.42Å
119	N	47.2	Very low	61.1	Low	131 Å²	131	145.4 Å²	145.4	70%	0.701	72%	0.721	S	S	*	*			trans	-68.2	100.2	152.3	-78.9	-14.5	0	0	0	105.2	K117 L121	K117-N119 PolarHBondContact O-N 2.87Å; N119-L121 PolarHBondContact O-N 2.88Å
120	T	54.3	Low	58.6	Low	124 Å²	124	140.7 Å²	140.7	76%	0.761	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	56.9	160.5	22.1	0	0	0	0	110.3	W118	W118-T120 VanDerWaalsContact C-N 3.26Å; W118-T120 HydrophobicContact CE3-CG2 4Å; W118-T120 HydrophobicContact CZ3-CG2 4.48Å; W118-T120 PolarHBondContact O-N 3.42Å
121	L	57.2	Low	55.8	Low	159 Å²	159	145 Å²	145	83%	0.832	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.7	4.3	178.5	-104.2	117.6	0	0	0	113.3	N119	N119-L121 PolarHBondContact O-N 2.88Å
122	S	51.2	Low	53.3	Low	90 Å²	90	147.6 Å²	147.6	63%	0.629	76%	0.756	S	S	*	*	S	Bend	trans	-92.3	104.2	167.5	-157.5	0	0	0	0	109.5
123	Q	52.5	Low	50.8	Low	169 Å²	169	148.8 Å²	148.8	79%	0.79	77%	0.767	S	S	*	*			trans	77.7	65	166.1	-53.4	-179.5	-10.2	0	0	117.4	V125	Q123-V125 VanDerWaalsContact C-N 3.33Å; Q123-V125 PolarHBondContact O-N 3.44Å
124	R	45.8	Very low	48.8	Very low	246 Å²	246	147.5 Å²	147.5	93%	0.928	77%	0.768	S	S	*	*			trans	-69.4	102.7	134.5	-77.3	-168	-153	179.3	7.6	106.6	P126	R124-P126 WeakPolarHBondContact O-CD 3.32Å; R124-P126 VanDerWaalsContact O-N 3.15Å
125	V	53.2	Low	47	Very low	125 Å²	125	152.4 Å²	152.4	76%	0.758	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-54	117	159.9	177.5	0	0	0	0	106.3	Q123	Q123-V125 VanDerWaalsContact C-N 3.33Å; Q123-V125 PolarHBondContact O-N 3.44Å
126	P	49.1	Very low	46	Very low	101 Å²	101	151.5 Å²	151.5	66%	0.656	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-68.5	132.3	-179.7	25.6	-28.8	0	0	0	108.3	R124 R128	R124-P126 WeakPolarHBondContact O-CD 3.32Å; R124-P126 VanDerWaalsContact O-N 3.15Å; P126-R128 PolarHBondContact O-N 3Å
127	P	48.6	Very low	45.3	Very low	116 Å²	116	150.3 Å²	150.3	75%	0.753	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-64.4	136.4	172.4	26.9	-30.6	0	0	0	108.7	H129	P127-H129 PolarHBondContact O-N 2.04Å
128	R	45.5	Very low	44.7	Very low	251 Å²	251	144.2 Å²	144.2	95%	0.947	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-57.6	125.5	179.7	-65.8	178	-160.4	-167.2	3.9	109.7	P126	P126-R128 PolarHBondContact O-N 3Å
129	H	44.6	Very low	44.3	Very low	192 Å²	192	143.5 Å²	143.5	89%	0.889	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-64.9	129.8	172.6	-74	-93.1	0	0	0	111	P127	P127-H129 PolarHBondContact O-N 2.04Å
130	A	43.7	Very low	43.7	Very low	85 Å²	85	142.6 Å²	142.6	70%	0.702	78%	0.776	S	S	*	*			trans	-147.6	115.5	154.2	0	0	0	0	0	109.1
131	S	36.4	Very low	42.8	Very low	114 Å²	114	143.6 Å²	143.6	80%	0.797	78%	0.776	S	S	*	*			trans	60.9	141.4	156.6	50.2	0	0	0	0	118.2
132	V	38.8	Very low	42	Very low	113 Å²	113	146.9 Å²	146.9	69%	0.685	78%	0.777	S	S	*	*			cis	-178.3	147.2	10.3	132.3	0	0	0	0	105.1
133	E	36.9	Very low	41	Very low	169 Å²	169	147.9 Å²	147.9	79%	0.79	78%	0.784	S	S	*	*			trans	35.7	136.1	151.6	-58.6	164.3	154.2	0	0	119.3
134	D	36.8	Very low	40.8	Very low	138 Å²	138	147.7 Å²	147.7	74%	0.738	79%	0.787	S	S	*	*			cis	-174.2	140.1	38.1	-132.7	-15.1	0	0	0	110.3
135	K	33.7	Very low	40.6	Very low	186 Å²	186	142.9 Å²	142.9	81%	0.809	78%	0.779	S	S	*	*			trans	34.8	126.7	136.8	-130.1	172.9	-172.8	177.4	0	122.8
136	V	39	Very low	40	Very low	114 Å²	114	140.2 Å²	140.2	69%	0.691	78%	0.778	S	S	*	*				156.3	111.7	113.7	166.4	0	0	0	0	112.2
137	D	40.7	Very low	39.8	Very low	154 Å²	154	142.5 Å²	142.5	82%	0.824	78%	0.784	S	S	*	*			trans	48.1	129.8	136.9	-49.3	-25.2	0	0	0	123.4
138	G	36.5	Very low	39.7	Very low	68 Å²	68	146.1 Å²	146.1	70%	0.701	79%	0.791	S	S	*	*			trans	142.1	84.1	136.7	0	0	0	0	0	119.6
139	L	38.8	Very low	39.3	Very low	168 Å²	168	141.5 Å²	141.5	88%	0.88	78%	0.784	S	S	*	*			trans	58.3	131.5	150	-77.1	98.1	0	0	0	123
140	P	33.4	Very low	39.1	Very low	112 Å²	112	138.3 Å²	138.3	73%	0.727	78%	0.78	S	S	*	*			trans	-95.2	162.3	171	38.8	-31.6	0	0	0	111.3
141	L	37.3	Very low	38.9	Very low	146 Å²	146	144.4 Å²	144.4	76%	0.764	79%	0.785	S	S	*	*			trans	-171.8	115.4	149.4	-96.7	168.6	0	0	0	112.8
142	R	38.6	Very low	39.2	Very low	227 Å²	227	147 Å²	147	86%	0.857	79%	0.791	S	S	*	*			trans	77.9	118.6	136.4	-70.9	179.4	-176.9	-167.4	-3.2	123.1
143	S	31.1	Very low	39.2	Very low	111 Å²	111	149.9 Å²	149.9	78%	0.776	80%	0.797	S	S	*	*			trans	-57.3	141.4	155	163.5	0	0	0	0	112.7
144	I	47.4	Very low	39.5	Very low	165 Å²	165	151.1 Å²	151.1	85%	0.846	80%	0.802	S	S	*	*			trans	-123.8	119.3	159.2	-66.1	178.1	0	0	0	107.1
145	D	42.2	Very low	39.6	Very low	145 Å²	145	155.3 Å²	155.3	78%	0.775	81%	0.808	S	S	*	*			trans	-89	138	168.4	-143.9	-11.4	0	0	0	108.1
146	G	41.6	Very low	39.9	Very low	70 Å²	70	154.1 Å²	154.1	72%	0.722	81%	0.809	S	S	*	*			trans	-138.7	75.6	-170.2	0	0	0	0	0	111.9	Q148	G146-Q148 PolarHBondContact O-N 3.31Å
147	N	44.2	Very low	39.8	Very low	148 Å²	148	154.1 Å²	154.1	79%	0.791	81%	0.814	S	S	*	*			trans	-64.1	121.8	164.6	-81	-35.6	0	0	0	110.7
148	Q	46.8	Very low	39.8	Very low	192 Å²	192	154 Å²	154	90%	0.897	81%	0.813	S	S	*	*			trans	-163.6	108.4	144.1	-120.6	160.6	74	0	0	111.7	G146	G146-Q148 PolarHBondContact O-N 3.31Å
149	L	37.1	Very low	39.8	Very low	154 Å²	154	156 Å²	156	81%	0.806	81%	0.814	S	S	*	*			trans	-79.2	157.7	157.7	-120.6	90.1	0	0	0	108.8
150	P	41.2	Very low	39.6	Very low	125 Å²	125	156.3 Å²	156.3	81%	0.812	82%	0.815	S	S	*	*				-137.7	156.2	115.6	27.7	-10.3	0	0	0	114.8
151	R	38.1	Very low	39.7	Very low	213 Å²	213	157.5 Å²	157.5	80%	0.804	82%	0.821	S	S	*	*			trans	-55.6	150.1	174.1	-65.4	174.4	176.1	-162.3	-2.9	112.1
152	N	43.2	Very low	39.9	Very low	170 Å²	170	155.7 Å²	155.7	91%	0.909	83%	0.826	S	S	*	*			trans	-147.5	130.1	133.2	-86.3	-23.9	0	0	0	109.4
153	E	39.1	Very low	39.9	Very low	173 Å²	173	154.3 Å²	154.3	81%	0.808	83%	0.83	S	S	*	*			trans	-75.7	132.3	171.3	-60.7	-173.7	114.9	0	0	109
154	E	42.3	Very low	40.6	Very low	194 Å²	194	154.5 Å²	154.5	91%	0.907	83%	0.831	S	S	*	*			trans	-148.1	117.1	144	-123	174.2	129.2	0	0	109.7
155	R	40.2	Very low	40.2	Very low	226 Å²	226	152 Å²	152	85%	0.853	83%	0.826	S	S	*	*			trans	-66.1	137.7	175.8	-67.4	169.7	169.8	-171.1	-4.5	109.1
156	L	40.2	Very low	40.3	Very low	161 Å²	161	153.3 Å²	153.3	84%	0.843	83%	0.831	S	S	*	*			trans	-156.2	82.2	148.2	-100.1	147.5	0	0	0	108.1	L158	L156-L158 HydrophobicContact CD2-CD1 4.49Å
157	S	36.1	Very low	39.9	Very low	114 Å²	114	156.6 Å²	156.6	80%	0.797	83%	0.832	S	S	*	*			trans	-104.4	117.5	161.4	12.8	0	0	0	0	107.6
158	L	41	Very low	39.6	Very low	153 Å²	153	157.1 Å²	157.1	80%	0.801	83%	0.834	S	S	*	*			trans	-138.6	151.5	168.9	-88.3	164.5	0	0	0	108	L156	L156-L158 HydrophobicContact CD2-CD1 4.49Å
159	P	36.7	Very low	39.3	Very low	110 Å²	110	156.1 Å²	156.1	71%	0.714	83%	0.834	S	S	*	*				-109.2	167.4	-129.8	24.9	-7.7	0	0	0	114.4	T161	P159-T161 PolarHBondContact O-N 2.93Å
160	L	33.6	Very low	39	Very low	174 Å²	174	157.7 Å²	157.7	91%	0.911	84%	0.837	S	S	*	*			trans	-45.4	115.6	164	-68.2	149	0	0	0	112.1
161	T	36.7	Very low	38.8	Very low	137 Å²	137	159.9 Å²	159.9	84%	0.84	84%	0.837	S	S	*	*			trans	-160	116.8	150.5	52.6	0	0	0	0	109.6	P159	P159-T161 PolarHBondContact O-N 2.93Å
162	A	39.8	Very low	38.7	Very low	107 Å²	107	158.4 Å²	158.4	88%	0.884	84%	0.839	S	S	*	*			trans	179	84	141.4	0	0	0	0	0	108.9
163	E	39.1	Very low	38.3	Very low	198 Å²	198	159.7 Å²	159.7	93%	0.925	84%	0.839	S	S	*	*			trans	-84.5	135.8	151.9	-69.3	177.7	125.7	0	0	107.7
164	S	47.2	Very low	38	Very low	116 Å²	116	156.8 Å²	156.8	81%	0.811	84%	0.835	S	S	*	*			trans	-151	135.8	146.5	64.6	0	0	0	0	110.5
165	P	38.7	Very low	37.6	Very low	113 Å²	113	152.5 Å²	152.5	73%	0.734	83%	0.827	S	S	*	*			trans	-101.8	152	-168.5	21.3	-1.7	0	0	0	112.6
166	I	44.6	Very low	37.8	Very low	172 Å²	172	153.6 Å²	153.6	88%	0.882	83%	0.831	S	S	*	*			trans	-134.7	101.2	155.5	-67.7	-163.7	0	0	0	108.2
167	D	33	Very low	37.8	Very low	138 Å²	138	151.5 Å²	151.5	74%	0.738	82%	0.82	S	S	*	*			trans	-74.7	164.7	155.9	-79.5	-46.8	0	0	0	110.3
168	L	37.5	Very low	38.1	Very low	159 Å²	159	148.5 Å²	148.5	83%	0.832	80%	0.799	S	S	*	*			trans	91	94.5	165.1	-53.1	168.7	0	0	0	115
169	L	40.5	Very low	38.6	Very low	171 Å²	171	146.5 Å²	146.5	90%	0.895	79%	0.788	S	S	*	*				-166.4	75.7	124.6	-89.5	163.6	0	0	0	106.9
170	E	29.9	Very low	39.2	Very low	188 Å²	188	147.7 Å²	147.7	88%	0.879	78%	0.779	S	S	*	*			trans	-77.8	114.8	158	-83.3	178.1	119.4	0	0	107.5
171	E	38.3	Very low	39.9	Very low	171 Å²	171	144 Å²	144	80%	0.799	76%	0.757	S	S	*	*			trans	-156.8	112	156	-115	170.4	173.4	0	0	110.5
172	E	35.5	Very low	40.4	Very low	182 Å²	182	143.3 Å²	143.3	85%	0.85	75%	0.748	S	S	*	*			trans	67.1	97.3	151.5	-59.9	-168.6	113.8	0	0	121.1
173	Q	33.6	Very low	40.6	Very low	196 Å²	196	140.9 Å²	140.9	92%	0.916	73%	0.733	S	S	*	*			trans	-94.4	140.5	146.1	-74.9	-166.3	-69.6	0	0	110.3
174	P	33.4	Very low	41.3	Very low	112 Å²	112	142.2 Å²	142.2	73%	0.727	73%	0.73	S	S	*	*			trans	-115.3	121.2	145.3	30.1	-17.6	0	0	0	111.1
175	S	34	Very low	41.6	Very low	104 Å²	104	144.2 Å²	144.2	73%	0.727	73%	0.726	S	S	*	*			trans	45.2	89.3	142.5	54.1	0	0	0	0	118.8	L177	S175-L177 PolarHBondContact O-N 2.95Å
176	R	44.9	Very low	42.1	Very low	250 Å²	250	145.8 Å²	145.8	94%	0.943	73%	0.728	S	S	*	*			trans	-90.3	92.7	150	-95.6	-168.7	160.2	-166.4	-4.6	109.7
177	L	40.9	Very low	42.4	Very low	116 Å²	116	142.3 Å²	142.3	61%	0.607	72%	0.716	S	S	*	*			trans	-61.1	137	164	-71.5	163.1	0	0	0	109.1	S175 E181	S175-L177 PolarHBondContact O-N 2.95Å; L177-E181 WeakPolarHBondContact CA-OE2 3.3Å; L177-E181 HydrophobicContact CB-CB 4.35Å; L177-E181 HydrophobicContact CD2-CB 4.2Å; L177-E181 HydrophobicContact CD2-CG 4.29Å; L177-E181 WeakPolarHBondContact CD2-OE1 3.39Å; L177-E181 VanDerWaalsContact CD2-OE2 3.25Å; L177-E181 WeakPolarHBondContact CD2-OE2 3.5Å
178	S	41.8	Very low	43.3	Very low	52 Å²	52	141.1 Å²	141.1	36%	0.364	73%	0.726	S	S	.	*			trans	-72	155.6	177.4	70.6	0	0	0	0	110.4	Y180 E181	S178-Y180 PolarHBondContact O-N 3.13Å; S178-E181 PolarHBondContact N-OE2 3.09Å; S178-E181 PolarHBondContact O-N 2.64Å; S178-E181 PolarHBondContact OG-OE2 3.04Å
179	I	51.2	Low	44	Very low	111 Å²	111	137 Å²	137	57%	0.569	72%	0.722	S	S	*	*	H	α-helix	trans	-58.5	-20.1	177.9	-16.4	-179	0	0	0	111.9	E181 L182 G183	I179-E181 VanDerWaalsContact C-N 3.31Å; I179-E181 PolarHBondContact O-N 3.24Å; I179-L182 PolarHBondContact O-N 3.48Å; I179-G183 PolarHBondContact O-N 3.04Å
180	Y	49.6	Very low	44.2	Very low	134 Å²	134	138.4 Å²	138.4	53%	0.525	72%	0.721	S	S	.	*	H	α-helix	trans	-69.8	-23.5	173.9	-60	-71	0	0	0	113.8	S178	S178-Y180 PolarHBondContact O-N 3.13Å
181	E	48	Very low	44.9	Very low	97 Å²	97	133.4 Å²	133.4	45%	0.453	71%	0.706	S	S	.	*	H	α-helix	trans	-86	-23.2	177	-73.2	159	133.5	0	0	112.1	L177 S178 I179	L177-E181 WeakPolarHBondContact CA-OE2 3.3Å; L177-E181 HydrophobicContact CB-CB 4.35Å; L177-E181 HydrophobicContact CD2-CB 4.2Å; L177-E181 HydrophobicContact CD2-CG 4.29Å; L177-E181 WeakPolarHBondContact CD2-OE1 3.39Å; L177-E181 VanDerWaalsContact CD2-OE2 3.25Å; L177-E181 WeakPolarHBondContact CD2-OE2 3.5Å; S178-E181 PolarHBondContact N-OE2 3.09Å; S178-E181 PolarHBondContact O-N 2.64Å; S178-E181 PolarHBondContact OG-OE2 3.04Å; I179-E181 VanDerWaalsContact C-N 3.31Å; I179-E181 PolarHBondContact O-N 3.24Å
182	L	47.8	Very low	45.2	Very low	123 Å²	123	128.9 Å²	128.9	64%	0.644	69%	0.692	S	S	*	*	H	α-helix	trans	-77	-25	172.8	-78.6	158.1	0	0	0	112.8	I179 R184	I179-L182 PolarHBondContact O-N 3.48Å; L182-R184 VanDerWaalsContact C-N 3.28Å; L182-R184 PolarHBondContact O-N 2.79Å
183	G	43.9	Very low	45.5	Very low	56 Å²	56	129.8 Å²	129.8	58%	0.577	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-10.5	-179.6	0	0	0	0	0	115.7	I179	I179-G183 PolarHBondContact O-N 3.04Å
184	R	53.7	Low	45.9	Very low	225 Å²	225	127.1 Å²	127.1	85%	0.849	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-2.7	179	-74.2	-168.7	-173.2	-167.1	3.5	114.5	L182	L182-R184 VanDerWaalsContact C-N 3.28Å; L182-R184 PolarHBondContact O-N 2.79Å
185	Q	53.4	Low	46.3	Very low	158 Å²	158	124.9 Å²	124.9	74%	0.738	68%	0.684	S	S	*	*	S	Bend	trans	-98.8	1.2	-175.7	-115.5	84.3	-8.8	0	0	114.9
186	L	49.6	Very low	47	Very low	147 Å²	147	128.1 Å²	128.1	77%	0.77	69%	0.688	S	S	*	*	S	Bend	trans	-93	131.7	-178.8	-77.6	161.9	0	0	0	111.9
187	P	50.5	Low	47.5	Very low	98 Å²	98	124.4 Å²	124.4	64%	0.636	68%	0.681	S	S	*	*			trans	-65	138.1	-178	25.6	-32.4	0	0	0	111.8	G189	P187-G189 PolarHBondContact O-N 2.67Å; P187-G189 VanDerWaalsContact O-N 3.1Å
188	A	52	Low	47.8	Very low	114 Å²	114	126.6 Å²	126.6	94%	0.942	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	109.6	174.5	0	0	0	0	0	110
189	G	50.9	Low	48.1	Very low	72 Å²	72	131.9 Å²	131.9	74%	0.742	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	162.3	-12.4	179.6	0	0	0	0	0	116.5	P187 S191	P187-G189 PolarHBondContact O-N 2.67Å; P187-G189 VanDerWaalsContact O-N 3.1Å; G189-S191 PolarHBondContact O-N 3.01Å
190	F	45.9	Very low	48.1	Very low	201 Å²	201	133 Å²	133	88%	0.882	72%	0.721	S	S	*	*			trans	-95.2	92.9	173.4	-85.8	-92.3	0	0	0	110.7	P192	F190-P192 WeakPolarHBondContact O-CD 3.49Å
191	S	45.2	Very low	48.4	Very low	82 Å²	82	130.4 Å²	130.4	57%	0.573	72%	0.716	S	S	*	*			trans	-97.2	106.3	165.5	170.1	0	0	0	0	108.2	G189 Y193	G189-S191 PolarHBondContact O-N 3.01Å; S191-Y193 PolarHBondContact O-N 3.23Å; S191-Y193 WeakPolarHBondContact OG-CD2 3.41Å
192	P	44.6	Very low	48.3	Very low	77 Å²	77	131 Å²	131	50%	0.5	73%	0.729	S	S	.	*			trans	-84.8	62.8	175.6	35.7	-31	0	0	0	109.2	F190	F190-P192 WeakPolarHBondContact O-CD 3.49Å
193	Y	41.3	Very low	48.1	Very low	200 Å²	200	134 Å²	134	78%	0.784	73%	0.732	S	S	*	*			trans	-125.6	79.1	169.5	-66.8	-70.3	0	0	0	108	S191	S191-Y193 PolarHBondContact O-N 3.23Å; S191-Y193 WeakPolarHBondContact OG-CD2 3.41Å
194	T	41.5	Very low	48.1	Very low	140 Å²	140	140.3 Å²	140.3	86%	0.859	74%	0.738	S	S	*	*			trans	-136.2	91.6	168.1	56.1	0	0	0	0	107.4
195	G	42.6	Very low	47.5	Very low	65 Å²	65	136.8 Å²	136.8	67%	0.67	73%	0.731	S	S	*	*			trans	-171	82.7	178.5	0	0	0	0	0	110.7	E197	G195-E197 PolarHBondContact O-N 3.23Å; G195-E197 VanDerWaalsContact O-N 3.13Å
196	E	47.9	Very low	47.3	Very low	173 Å²	173	136.6 Å²	136.6	81%	0.808	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	4.9	171.1	-106.2	167	110	0	0	113.4
197	E	54.8	Low	46.8	Very low	171 Å²	171	135.2 Å²	135.2	80%	0.799	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-19.6	-169.3	-64.1	-170.5	149.5	0	0	114.5	G195 M199	G195-E197 PolarHBondContact O-N 3.23Å; G195-E197 VanDerWaalsContact O-N 3.13Å; E197-M199 VanDerWaalsContact C-N 3.33Å; E197-M199 PolarHBondContact O-N 3.26Å
198	D	47.1	Very low	46.5	Very low	163 Å²	163	142.1 Å²	142.1	87%	0.872	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-0.6	178	-86.7	-24.6	0	0	0	114.2
199	M	48.4	Very low	46.6	Very low	162 Å²	162	144 Å²	144	80%	0.798	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-2.5	177.7	-152.5	153.7	62.1	0	0	113.1	E197	E197-M199 VanDerWaalsContact C-N 3.33Å; E197-M199 PolarHBondContact O-N 3.26Å
200	N	52.7	Low	46	Very low	136 Å²	136	145.7 Å²	145.7	73%	0.727	72%	0.723	S	S	*	*	S	Bend	trans	-102.3	-2.1	-171.8	-76	-40.4	0	0	0	115.7
201	D	54.3	Low	45.7	Very low	78 Å²	78	141 Å²	141	42%	0.417	71%	0.714	S	S	.	*			trans	-146.8	88.3	173.7	-167.9	-6.9	0	0	0	112.5	W203 R204	D201-W203 PolarHBondContact O-N 3.22Å; D201-W203 WeakPolarHBondContact OD1-CA 3.35Å; D201-W203 PolarHBondContact OD1-N 2.81Å; D201-R204 HydrophobicContact CB-CG 4.5Å; D201-R204 PolarHBondContact OD1-N 2.99Å; D201-R204 WeakPolarHBondContact OD2-CG 3.23Å; D201-R204 IonicContact OD2-NE 3.79Å
202	P	47.1	Very low	45.5	Very low	111 Å²	111	143.9 Å²	143.9	72%	0.721	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-4.7	176.4	-16.7	29.8	0	0	0	114.1
203	W	43.1	Very low	45.2	Very low	184 Å²	184	146.1 Å²	146.1	70%	0.697	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.2	20	-167.3	-61.4	106.9	0	0	0	114.3	D201 H205	D201-W203 PolarHBondContact O-N 3.22Å; D201-W203 WeakPolarHBondContact OD1-CA 3.35Å; D201-W203 PolarHBondContact OD1-N 2.81Å; W203-H205 AromaticContact CE3-CE1 3.86Å; W203-H205 AromaticContact CE3-NE2 3.62Å; W203-H205 PolarHBondContact O-CD2 3Å; W203-H205 PolarHBondContact O-N 3.1Å
204	R	43.9	Very low	45.3	Very low	189 Å²	189	140.6 Å²	140.6	71%	0.713	71%	0.712	S	S	*	*			trans	-66.6	86.3	163.8	-86.5	-175.9	-176.4	-124.7	3.3	110.5	D201 H206	D201-R204 HydrophobicContact CB-CG 4.5Å; D201-R204 PolarHBondContact OD1-N 2.99Å; D201-R204 WeakPolarHBondContact OD2-CG 3.23Å; D201-R204 IonicContact OD2-NE 3.79Å; R204-H206 VanDerWaalsContact C-N 3.33Å; R204-H206 PolarHBondContact O-N 3.14Å
205	H	41.9	Very low	45.2	Very low	152 Å²	152	142.9 Å²	142.9	70%	0.704	71%	0.706	S	S	*	*			trans	-68	90.9	168.4	-68.1	-62	0	0	0	109.1	W203	W203-H205 AromaticContact CE3-CE1 3.86Å; W203-H205 AromaticContact CE3-NE2 3.62Å; W203-H205 PolarHBondContact O-CD2 3Å; W203-H205 PolarHBondContact O-N 3.1Å
206	H	47.7	Very low	44.9	Very low	154 Å²	154	146.3 Å²	146.3	71%	0.713	70%	0.704	S	S	*	*			trans	-59.5	136.1	159.1	-69.5	-75.8	0	0	0	108.3	R204 R208	R204-H206 VanDerWaalsContact C-N 3.33Å; R204-H206 PolarHBondContact O-N 3.14Å; H206-R208 PolarHBondContact O-N 3.04Å
207	P	40.7	Very low	45.1	Very low	117 Å²	117	142.5 Å²	142.5	76%	0.76	69%	0.688	S	S	*	*			trans	-55.7	130.3	178.8	21.6	-31	0	0	0	109.3	R209	P207-R209 PolarHBondContact O-N 3.49Å
208	R	44.2	Very low	44.7	Very low	244 Å²	244	140.9 Å²	140.9	92%	0.921	68%	0.681	S	S	*	*			trans	-57.7	115	174.8	-73.7	-138.7	-167.9	-158.6	5.8	108.4	H206	H206-R208 PolarHBondContact O-N 3.04Å
209	R	52.4	Low	45	Very low	153 Å²	153	138.5 Å²	138.5	58%	0.577	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-63.2	137.7	169.7	-102.2	-178.7	-87.8	-130.4	-12.5	109.3	E21 P207	E21-R209 IonicContact OE1-CZ 4Å; E21-R209 IonicContact OE1-NH1 2.64Å; E21-R209 PolarHBondContact OE1-NH1 3.4Å; E21-R209 IonicContact OE1-NH2 3.14Å; E21-R209 PolarHBondContact OE1-NH2 2.94Å; E21-R209 IonicContact OE2-CZ 3.96Å; E21-R209 IonicContact OE2-NH1 3.09Å; E21-R209 PolarHBondContact OE2-NH1 2.76Å; E21-R209 IonicContact OE2-NH2 3.14Å; E21-R209 PolarHBondContact OE2-NH2 2.93Å; E21-R209 VanDerWaalsContact OE2-NH2 3.09Å; P207-R209 PolarHBondContact O-N 3.49Å
210	P	39.5	Very low	44.8	Very low	107 Å²	107	136 Å²	136	70%	0.695	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-61.4	144.7	173.6	25.7	-31.8	0	0	0	109.5
211	P	39.4	Very low	44.5	Very low	104 Å²	104	135.8 Å²	135.8	68%	0.675	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-58.6	142.5	174.2	25.9	-33.2	0	0	0	109.5	I213	P211-I213 PolarHBondContact O-N 3.1Å
212	L	40.8	Very low	44.4	Very low	142 Å²	142	138.4 Å²	138.4	74%	0.743	69%	0.686	S	S	*	*			trans	-60.9	106.4	168.7	-68.6	173.9	0	0	0	107.7	L214	L212-L214 PolarHBondContact O-N 2.78Å
213	I	39.1	Very low	44.1	Very low	123 Å²	123	144.4 Å²	144.4	63%	0.631	71%	0.711	S	S	*	*			trans	-74.7	107.1	171	-60	175.5	0	0	0	105.9	P211 Y215	P211-I213 PolarHBondContact O-N 3.1Å; I213-Y215 PolarHBondContact O-N 3.01Å
214	L	41.6	Very low	44.1	Very low	85 Å²	85	142.4 Å²	142.4	45%	0.445	71%	0.712	S	S	.	*			trans	-67.3	112.8	168	-135.9	87.2	0	0	0	107.1	L4 F106 L212	L4-L214 HydrophobicContact CD1-CD1 4.09Å; L4-L214 HydrophobicContact CD1-CG 4.34Å; L4-L214 HydrophobicContact CD2-CD1 4.28Å; F106-L214 HydrophobicContact CB-CD1 4.35Å; F106-L214 HydrophobicContact CD2-CD1 4.11Å; F106-L214 HydrophobicContact CG-CD1 4.31Å; L212-L214 PolarHBondContact O-N 2.78Å
215	Y	40.3	Very low	44.1	Very low	187 Å²	187	139.9 Å²	139.9	73%	0.733	71%	0.712	S	S	*	*			trans	-71.6	129	168.1	-66	-84.6	0	0	0	108.4	I213 I217	I213-Y215 PolarHBondContact O-N 3.01Å; Y215-I217 PolarHBondContact O-N 3.24Å; Y215-I217 VanDerWaalsContact O-N 3.11Å
216	E	37.1	Very low	44.3	Very low	137 Å²	137	139.3 Å²	139.3	64%	0.64	71%	0.713	S	S	*	*			trans	-64.8	108.2	168.4	-137.5	-179.8	162.3	0	0	106.9	R116 H218	R116-E216 IonicContact NH2-OE1 3.8Å; R116-E216 PolarHBondContact NH2-OE1 2.66Å; E216-H218 PolarHBondContact O-CD2 2.6Å; E216-H218 PolarHBondContact O-N 2.99Å
217	I	51.5	Low	44.1	Very low	93 Å²	93	138.4 Å²	138.4	48%	0.477	71%	0.713	S	S	.	*			trans	-75.1	116.3	177.2	-60.2	172.7	0	0	0	107.2	S3 Y215	S3-I217 WeakPolarHBondContact O-CD1 3.35Å; Y215-I217 PolarHBondContact O-N 3.24Å; Y215-I217 VanDerWaalsContact O-N 3.11Å
218	H	47	Very low	44.3	Very low	138 Å²	138	139.8 Å²	139.8	64%	0.639	71%	0.71	S	S	*	*			trans	-92.6	111.9	170.1	-72.3	-95.8	0	0	0	108.9	E216 S220	E216-H218 PolarHBondContact O-CD2 2.6Å; E216-H218 PolarHBondContact O-N 2.99Å; H218-S220 PolarHBondContact O-N 2.57Å
219	E	53.4	Low	44.3	Very low	113 Å²	113	132.8 Å²	132.8	53%	0.528	70%	0.696	S	S	.	*			trans	-67.1	115.3	164.2	-92.6	-175.5	161.8	0	0	109.5	M1 D2	M1-E219 VanDerWaalsContact N-CD 3.3Å; M1-E219 PolarHBondContact N-OE1 3.46Å; M1-E219 PolarHBondContact N-OE2 2.93Å; D2-E219 VanDerWaalsContact OD1-CD 3.28Å; D2-E219 VanDerWaalsContact OD1-CG 3.31Å; D2-E219 WeakPolarHBondContact OD1-CG 3.29Å
220	S	43	Very low	43.7	Very low	108 Å²	108	131.4 Å²	131.4	76%	0.755	70%	0.704	S	S	*	*			trans	-85.1	102.5	165	58.8	0	0	0	0	108.9	H218 T222	H218-S220 PolarHBondContact O-N 2.57Å; S220-T222 PolarHBondContact O-N 3.16Å
221	T	47.6	Very low	44	Very low	133 Å²	133	133.2 Å²	133.2	82%	0.816	71%	0.705	S	S	*	*			trans	-76.6	105	162.8	45	0	0	0	0	108.9
222	T	51.6	Low	44.4	Very low	133 Å²	133	135.7 Å²	135.7	82%	0.816	71%	0.707	S	S	*	*			trans	-73.4	121.6	161.7	40.5	0	0	0	0	109.3	S220	S220-T222 PolarHBondContact O-N 3.16Å
223	N	39.9	Very low	44.7	Very low	236 Å²	236	135.1 Å²	135.1	100%	1.262	70%	0.704	S	S	*	*			trans	-72.9	0	155.7	-112.3	-4.9	0	0	0	109.9

Retrieved 223 of 223 residues in 176.4 ms (Link to these results)

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