A0A075B6H5_HUMAN Loading...

T cell receptor beta variable 20/OR9-2 (non-functional) AlphaSync

AlphaFold DB , UniProt , Accession A0A075B6H5, Species HUMAN (Homo sapiens, Human), Gene TRBV20OR9-2, Length 111 aa.

						>A0A075B6H5_HUMAN|A0A075B6H5|TRBV20OR9-2
MLLLLLLLGPGSGLSAVVSQHPSRVICKSGTSVNIECRSLDFQATTMFWYRQLRKQSLMLMATSNEGSEVTYEQGVKKDKFPINHPNLTFSALTVTSAHPEDSSFYICSAR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	52.5	Low	62.5	Low	224 Å²	224	136.6 Å²	136.6	100%	1.103	78%	0.782	S	S	*	*				0	104.7	0	-169.3	173	70.6	0	0	107.1	L3	M1-L3 HydrophobicContact CE-CD1 4.24Å
2	L	52.3	Low	62.9	Low	158 Å²	158	135.3 Å²	135.3	83%	0.827	79%	0.787	S	S	*	*			trans	-85.3	112.8	-174.6	-147.7	90.3	0	0	0	108.1	L4	L2-L4 HydrophobicContact CD2-CD1 4.02Å
3	L	62.1	Low	63.3	Low	125 Å²	125	130.2 Å²	130.2	65%	0.654	78%	0.78	S	S	*	*			trans	-96.7	98.8	167.8	-106.9	91.8	0	0	0	108.1	M1 L5	M1-L3 HydrophobicContact CE-CD1 4.24Å; L3-L5 HydrophobicContact CD2-CD1 4.2Å; L3-L5 PolarHBondContact O-N 3.01Å
4	L	66.4	Low	63.6	Low	135 Å²	135	133.6 Å²	133.6	71%	0.707	79%	0.791	S	S	*	*			trans	-82.5	87.3	170.2	-140.3	91.4	0	0	0	108	L2 L6	L2-L4 HydrophobicContact CD2-CD1 4.02Å; L4-L6 PolarHBondContact O-N 3.06Å; L4-L6 VanDerWaalsContact O-N 3.09Å
5	L	66	Low	64.3	Low	134 Å²	134	130.8 Å²	130.8	70%	0.702	78%	0.781	S	S	*	*			trans	-74.2	94.3	170.9	-80.8	137.6	0	0	0	108.3	L3 L7	L3-L5 HydrophobicContact CD2-CD1 4.2Å; L3-L5 PolarHBondContact O-N 3.01Å; L5-L7 VanDerWaalsContact C-N 3.27Å; L5-L7 PolarHBondContact O-N 3.21Å
6	L	66.7	Low	65.6	Low	145 Å²	145	127.4 Å²	127.4	76%	0.759	77%	0.772	S	S	*	*			trans	-64.8	91.4	166.6	-77.8	156.7	0	0	0	108.1	L4 L8	L4-L6 PolarHBondContact O-N 3.06Å; L4-L6 VanDerWaalsContact O-N 3.09Å; L6-L8 PolarHBondContact O-N 3.22Å
7	L	64	Low	67.2	Low	161 Å²	161	123.6 Å²	123.6	84%	0.843	75%	0.749	S	S	*	*			trans	-65.9	86	167.4	-71.7	162.5	0	0	0	107.9	L5 G9	L5-L7 VanDerWaalsContact C-N 3.27Å; L5-L7 PolarHBondContact O-N 3.21Å; L7-G9 PolarHBondContact O-N 2.72Å
8	L	62.8	Low	68.9	Low	168 Å²	168	118.9 Å²	118.9	88%	0.88	72%	0.721	S	S	*	*			trans	-68.2	75.2	158.8	-75	153	0	0	0	106.8	L6	L6-L8 PolarHBondContact O-N 3.22Å
9	G	64.8	Low	70.4	Confident	51 Å²	51	115.1 Å²	115.1	53%	0.526	70%	0.7	S	S	.	*			trans	-57.1	143.3	164.8	0	0	0	0	0	108.2	L7 G11	L7-G9 PolarHBondContact O-N 2.72Å; G9-G11 PolarHBondContact O-N 3.45Å
10	P	64.4	Low	71.8	Confident	127 Å²	127	112.7 Å²	112.7	83%	0.825	68%	0.68	S	S	*	*			trans	-55.9	108.1	175.1	22.7	-31.7	0	0	0	107.9	S12	P10-S12 PolarHBondContact O-N 3.07Å
11	G	65.6	Low	73.1	Confident	75 Å²	75	113.5 Å²	113.5	77%	0.773	68%	0.677	S	S	*	*			trans	-66.5	105.2	178.1	0	0	0	0	0	108	G9 G13	G9-G11 PolarHBondContact O-N 3.45Å; G11-G13 PolarHBondContact O-N 2.85Å
12	S	67.5	Low	75.3	Confident	121 Å²	121	104.7 Å²	104.7	85%	0.846	64%	0.636	S	S	*	*			trans	-68.3	74.4	165.3	-53.8	0	0	0	0	108.2	P10 L14	P10-S12 PolarHBondContact O-N 3.07Å; S12-L14 PolarHBondContact O-N 2.83Å; S12-L14 VanDerWaalsContact O-N 3.15Å
13	G	67.5	Low	77.4	Confident	68 Å²	68	103 Å²	103	70%	0.701	64%	0.637	S	S	*	*			trans	-70.2	106.5	173.9	0	0	0	0	0	108.9	G11 S15	G11-G13 PolarHBondContact O-N 2.85Å; G13-S15 PolarHBondContact O-N 3.11Å; G13-S15 VanDerWaalsContact O-N 3.07Å
14	L	68.3	Low	79.1	Confident	178 Å²	178	106.9 Å²	106.9	93%	0.932	64%	0.643	S	S	*	*			trans	-64.9	105.3	162.6	-70.9	169	0	0	0	107	S12	S12-L14 PolarHBondContact O-N 2.83Å; S12-L14 VanDerWaalsContact O-N 3.15Å
15	S	73.6	Confident	80.6	Confident	92 Å²	92	103.7 Å²	103.7	64%	0.643	63%	0.629	S	S	*	*			trans	-87.9	111.5	175.8	179.7	0	0	0	0	108.9	G13 V17	G13-S15 PolarHBondContact O-N 3.11Å; G13-S15 VanDerWaalsContact O-N 3.07Å; S15-V17 PolarHBondContact O-N 3.24Å
16	A	84.3	Confident	82.2	Confident	76 Å²	76	105.1 Å²	105.1	63%	0.628	64%	0.636	S	S	*	*			trans	-75.7	113.4	165.8	0	0	0	0	0	108.6	F42	A16-F42 HydrophobicContact CB-CD1 3.86Å; A16-F42 HydrophobicContact CB-CE1 3.77Å; A16-F42 HydrophobicContact CB-CE2 4.46Å; A16-F42 HydrophobicContact CB-CG 4.29Å; A16-F42 HydrophobicContact CB-CZ 4.08Å
17	V	93.7	Very high	83.6	Confident	64 Å²	64	100.9 Å²	100.9	39%	0.388	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.5	143	-179.2	72.1	0	0	0	0	111.3	S15 L40 F42	S15-V17 PolarHBondContact O-N 3.24Å; V17-L40 HydrophobicContact CG1-CB 3.74Å; V17-L40 HydrophobicContact CG1-CD1 3.78Å; V17-L40 HydrophobicContact CG1-CG 4.04Å; V17-L40 PolarHBondContact O-N 3.34Å; V17-F42 WeakPolarHBondContact O-CE1 3.08Å
18	V	97.2	Very high	85.2	Confident	39 Å²	39	101.6 Å²	101.6	24%	0.236	61%	0.614	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.6	140.9	171.1	-63.9	0	0	0	0	110.2	R38 F42 A110	V18-R38 CarbonylContact C-O 3.56Å; V18-R38 VanDerWaalsContact CA-O 3.22Å; V18-R38 WeakPolarHBondContact CA-O 3.39Å; V18-F42 HydrophobicContact CG1-CZ 4.26Å; V18-A110 HydrophobicContact CG1-CB 3.64Å
19	S	97.7	Very high	86.9	Confident	46 Å²	46	97.3 Å²	97.3	32%	0.322	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.5	145.3	166.7	63.7	0	0	0	0	110.3	C37 R38	S19-C37 CarbonylContact O-C 3.57Å; S19-C37 WeakPolarHBondContact O-CA 3.36Å; S19-R38 PolarHBondContact N-O 3Å; S19-R38 PolarHBondContact O-N 2.86Å
20	Q	98.5	Very high	88.5	Confident	67 Å²	67	96.7 Å²	96.7	31%	0.313	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.3	135.5	178.2	-76.2	173.8	75.9	0	0	111.3	E36 C37 C108	Q20-E36 WeakPolarHBondContact CA-O 3.19Å; Q20-C37 HydrophobicContact CG-CB 4.37Å; Q20-C108 HydrophobicContact CG-CB 4.42Å; Q20-C108 WeakPolarHBondContact CG-SG 3.44Å; Q20-C108 PolarHBondContact NE2-O 3.09Å; Q20-C108 PolarHBondContact NE2-SG 3.48Å; Q20-C108 VanDerWaalsContact NE2-SG 3.39Å
21	H	98.6	Very high	90.1	Very high	130 Å²	130	93.5 Å²	93.5	60%	0.602	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-147	138.8	179.4	-174.5	-84.8	0	0	0	111.7	E36	H21-E36 PolarHBondContact N-O 3.39Å; H21-E36 WeakPolarHBondContact O-CB 3.25Å; H21-E36 PolarHBondContact O-N 2.86Å
22	P	98.5	Very high	91.7	Very high	38 Å²	38	93.4 Å²	93.4	25%	0.247	56%	0.558	C	S	.	*			cis	-71.8	152.7	-8.4	30.8	-36	0	0	0	111.9	R24 V25 N34	P22-R24 VanDerWaalsContact C-N 3.32Å; P22-V25 HydrophobicContact CB-CG2 3.96Å; P22-V25 HydrophobicContact CG-CG2 3.17Å; P22-N34 WeakPolarHBondContact CD-O 3.21Å
23	S	97.6	Very high	93.2	Very high	122 Å²	122	88.5 Å²	88.5	85%	0.853	52%	0.522	S	S	*	.	S	Bend	trans	-74.5	-22.2	177.1	60.1	0	0	0	0	113.5
24	R	98	Very high	94.7	Very high	207 Å²	207	88.5 Å²	88.5	78%	0.781	51%	0.507	S	S	*	.			trans	-152.8	139.4	176.5	-179.5	179.7	-70	171.7	-1.2	110.1	P22	P22-R24 VanDerWaalsContact C-N 3.32Å
25	V	98.1	Very high	96.1	Very high	69 Å²	69	80.9 Å²	80.9	42%	0.418	47%	0.466	S	S	.	.			trans	-131.1	135.5	172.9	-176.6	0	0	0	0	109.7	P22 C27 V33	P22-V25 HydrophobicContact CB-CG2 3.96Å; P22-V25 HydrophobicContact CG-CG2 3.17Å; V25-C27 HydrophobicContact CG1-CB 4.09Å; V25-V33 HydrophobicContact CB-CG1 4Å; V25-V33 HydrophobicContact CG1-CG1 3.94Å; V25-V33 HydrophobicContact CG1-CG2 3.9Å; V25-V33 HydrophobicContact CG2-CG1 3.73Å
26	I	98	Very high	97.3	Very high	163 Å²	163	79.2 Å²	79.2	84%	0.836	45%	0.448	S	S	*	.			trans	-120.6	120.4	164.7	-59.5	173.7	0	0	0	105.3
27	C	97.6	Very high	98	Very high	57 Å²	57	75.6 Å²	75.6	39%	0.385	42%	0.419	S	S	.	.			trans	-135.6	165.6	-174.8	63	0	0	0	0	111.1	V25 T31 V33	V25-C27 HydrophobicContact CG1-CB 4.09Å; C27-T31 HydrophobicContact CB-CG2 4.05Å; C27-V33 HydrophobicContact CB-CG2 4.28Å
28	K	98	Very high	98.2	Very high	175 Å²	175	77.5 Å²	77.5	76%	0.761	42%	0.419	S	S	*	.			trans	-75.6	149	172.3	-67.1	-178.8	179	179	0	109.8	G30 T31	K28-G30 PolarHBondContact O-N 3.35Å; K28-T31 WeakPolarHBondContact O-CB 3.15Å; K28-T31 PolarHBondContact O-N 2.83Å; K28-T31 PolarHBondContact O-OG1 2.93Å
29	S	97.9	Very high	98.2	Very high	79 Å²	79	76.1 Å²	76.1	55%	0.552	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	139.3	172.6	-157.4	0	0	0	0	110.7	T31 A98 H99	S29-T31 VanDerWaalsContact C-N 3.32Å; S29-A98 CarbonylContact C-O 3.58Å; S29-A98 VanDerWaalsContact CA-O 3.25Å; S29-A98 WeakPolarHBondContact CA-O 3.31Å; S29-H99 PolarHBondContact OG-CD2 2.86Å; S29-H99 VanDerWaalsContact OG-CD2 3.24Å
30	G	98.4	Very high	98	Very high	38 Å²	38	77.1 Å²	77.1	39%	0.392	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	-5.7	-175.1	0	0	0	0	0	115	K28 A98	K28-G30 PolarHBondContact O-N 3.35Å; G30-A98 PolarHBondContact N-O 3.37Å
31	T	98.5	Very high	97.6	Very high	59 Å²	59	82 Å²	82	36%	0.362	44%	0.441	S	S	.	.			trans	-75.8	134.3	175	-52	0	0	0	0	110.3	C27 K28 S29 A98	C27-T31 HydrophobicContact CB-CG2 4.05Å; K28-T31 WeakPolarHBondContact O-CB 3.15Å; K28-T31 PolarHBondContact O-N 2.83Å; K28-T31 PolarHBondContact O-OG1 2.93Å; S29-T31 VanDerWaalsContact C-N 3.32Å; T31-A98 WeakPolarHBondContact O-CB 3.49Å; T31-A98 PolarHBondContact O-N 2.99Å
32	S	98.6	Very high	97.3	Very high	73 Å²	73	78.1 Å²	78.1	51%	0.51	42%	0.422	S	S	.	.			trans	-83.8	132.9	169.3	-65.1	0	0	0	0	110.5	V95 S97	S32-V95 CarbonylContact C-O 3.48Å; S32-V95 VanDerWaalsContact CA-O 3.3Å; S32-V95 WeakPolarHBondContact CA-O 3.16Å; S32-S97 PolarHBondContact OG-N 2.85Å; S32-S97 VanDerWaalsContact OG-N 3.15Å
33	V	98.6	Very high	97.2	Very high	18 Å²	18	83 Å²	83	11%	0.109	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.7	-177.6	178.8	0	0	0	0	109.5	V25 C27 I35 T94 V95	V25-V33 HydrophobicContact CB-CG1 4Å; V25-V33 HydrophobicContact CG1-CG1 3.94Å; V25-V33 HydrophobicContact CG1-CG2 3.9Å; V25-V33 HydrophobicContact CG2-CG1 3.73Å; C27-V33 HydrophobicContact CB-CG2 4.28Å; V33-I35 HydrophobicContact CG1-CG1 4.33Å; V33-T94 CarbonylContact O-C 3.56Å; V33-T94 VanDerWaalsContact O-CA 3.27Å; V33-T94 WeakPolarHBondContact O-CA 3.26Å; V33-V95 HydrophobicContact CB-CB 4.47Å; V33-V95 PolarHBondContact N-O 3.06Å; V33-V95 PolarHBondContact O-N 3.28Å
34	N	98.7	Very high	97.1	Very high	69 Å²	69	77.2 Å²	77.2	37%	0.369	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.7	174.5	-170.5	42.7	0	0	0	110.7	P22 T94	P22-N34 WeakPolarHBondContact CD-O 3.21Å; N34-T94 PolarHBondContact OD1-OG1 2.88Å
35	I	98.8	Very high	97	Very high	17 Å²	17	71.2 Å²	71.2	9%	0.087	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	115.9	178.7	-54.2	163.1	0	0	0	107.6	V33 W49 A92 L93 V95 Y106	V33-I35 HydrophobicContact CG1-CG1 4.33Å; I35-W49 HydrophobicContact CB-CH2 4.28Å; I35-W49 HydrophobicContact CB-CZ3 4.37Å; I35-W49 HydrophobicContact CG2-CH2 4.02Å; I35-W49 HydrophobicContact CG2-CZ3 4.01Å; I35-W49 VanDerWaalsContact O-CH2 3.28Å; I35-W49 WeakPolarHBondContact O-CH2 3.28Å; I35-A92 CarbonylContact O-C 3.51Å; I35-A92 WeakPolarHBondContact O-CA 3.37Å; I35-L93 HydrophobicContact CD1-CD2 4Å; I35-L93 PolarHBondContact N-O 2.83Å; I35-L93 PolarHBondContact O-N 2.78Å; I35-V95 HydrophobicContact CD1-CG2 4.46Å; I35-Y106 HydrophobicContact CD1-CD2 3.91Å; I35-Y106 HydrophobicContact CD1-CG 3.81Å
36	E	98.8	Very high	97	Very high	57 Å²	57	68.9 Å²	68.9	27%	0.266	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	143.9	178.9	-61.9	-172.9	-171.7	0	0	111.1	Q20 H21 R38 F90	Q20-E36 WeakPolarHBondContact CA-O 3.19Å; H21-E36 PolarHBondContact N-O 3.39Å; H21-E36 WeakPolarHBondContact O-CB 3.25Å; H21-E36 PolarHBondContact O-N 2.86Å; E36-R38 IonicContact OE2-CZ 2.65Å; E36-R38 IonicContact OE2-NE 3.48Å; E36-R38 PolarHBondContact OE2-NE 3.3Å; E36-R38 IonicContact OE2-NH2 3.56Å; E36-R38 PolarHBondContact OE2-NH2 2.73Å; E36-F90 HydrophobicContact CB-CE2 3.88Å; E36-F90 HydrophobicContact CB-CZ 4.46Å; E36-F90 HydrophobicContact CG-CE2 3.78Å; E36-F90 HydrophobicContact CG-CZ 3.98Å
37	C	98.6	Very high	97.1	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.2	172.4	-178.5	0	0	0	0	109	S19 Q20 W49 F90 S91 C108	S19-C37 CarbonylContact O-C 3.57Å; S19-C37 WeakPolarHBondContact O-CA 3.36Å; Q20-C37 HydrophobicContact CG-CB 4.37Å; C37-W49 HydrophobicContact CB-CH2 3.77Å; C37-W49 HydrophobicContact CB-CZ2 3.64Å; C37-F90 WeakPolarHBondContact O-CA 3.48Å; C37-S91 WeakPolarHBondContact CA-O 3.1Å; C37-S91 WeakPolarHBondContact CB-O 3.5Å; C37-S91 PolarHBondContact N-O 3.48Å; C37-S91 PolarHBondContact O-N 3.49Å; C37-S91 VanDerWaalsContact O-O 3.05Å; C37-C108 HydrophobicContact CB-CB 3.47Å; C37-C108 VanDerWaalsContact CB-CB 3.47Å; C37-C108 WeakPolarHBondContact CB-SG 3.26Å; C37-C108 WeakPolarHBondContact SG-CB 3.09Å; C37-C108 CovalentContact SG-SG 2.01Å; C37-C108 PolarHBondContact SG-SG 2.83Å
38	R	98.3	Very high	97.1	Very high	105 Å²	105	60.5 Å²	60.5	40%	0.396	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	126	179	-67.6	168.8	-171.1	-81	-1.3	110.6	V18 S19 E36 T89 F90	V18-R38 CarbonylContact C-O 3.56Å; V18-R38 VanDerWaalsContact CA-O 3.22Å; V18-R38 WeakPolarHBondContact CA-O 3.39Å; S19-R38 PolarHBondContact N-O 3Å; S19-R38 PolarHBondContact O-N 2.86Å; E36-R38 IonicContact OE2-CZ 2.65Å; E36-R38 IonicContact OE2-NE 3.48Å; E36-R38 PolarHBondContact OE2-NE 3.3Å; E36-R38 IonicContact OE2-NH2 3.56Å; E36-R38 PolarHBondContact OE2-NH2 2.73Å; R38-T89 WeakPolarHBondContact CA-O 3.48Å; R38-F90 HydrophobicContact CG-CD2 3.76Å; R38-F90 HydrophobicContact CG-CE2 4.47Å; R38-F90 VanDerWaalsContact NH2-CE2 3.29Å
39	S	96.4	Very high	97.1	Very high	9 Å²	9	52.2 Å²	52.2	6%	0.063	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	133.3	166.8	57.6	0	0	0	0	109.3	F42 L88 T89	S39-F42 VanDerWaalsContact CB-CE1 3.49Å; S39-F42 WeakPolarHBondContact CB-O 3.36Å; S39-F42 PolarHBondContact OG-O 3.18Å; S39-L88 PolarHBondContact OG-O 3.46Å; S39-T89 PolarHBondContact N-O 2.8Å; S39-T89 VanDerWaalsContact N-O 3.17Å; S39-T89 WeakPolarHBondContact OG-CA 3.36Å
40	L	93.6	Very high	97.2	Very high	68 Å²	68	51 Å²	51	36%	0.356	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.6	179.3	-51	-175.1	0	0	0	108.7	V17 F42	V17-L40 HydrophobicContact CG1-CB 3.74Å; V17-L40 HydrophobicContact CG1-CD1 3.78Å; V17-L40 HydrophobicContact CG1-CG 4.04Å; V17-L40 PolarHBondContact O-N 3.34Å; L40-F42 VanDerWaalsContact O-CD1 3.23Å; L40-F42 WeakPolarHBondContact O-CD1 3.31Å; L40-F42 PolarHBondContact O-N 2.8Å; L40-F42 VanDerWaalsContact O-N 3.07Å
41	D	90	Very high	97.2	Very high	170 Å²	170	51 Å²	51	91%	0.909	26%	0.26	S	S	*	.	S	Bend	trans	62.9	11	176	-48.3	-45.6	0	0	0	115.5
42	F	93.4	Very high	97.2	Very high	47 Å²	47	51.3 Å²	51.3	21%	0.206	26%	0.258	C	S	.	.	S	Bend	trans	-145.9	155.7	169	75.9	-78.7	0	0	0	112.7	A16 V17 V18 S39 L40 A44 A110	A16-F42 HydrophobicContact CB-CD1 3.86Å; A16-F42 HydrophobicContact CB-CE1 3.77Å; A16-F42 HydrophobicContact CB-CE2 4.46Å; A16-F42 HydrophobicContact CB-CG 4.29Å; A16-F42 HydrophobicContact CB-CZ 4.08Å; V17-F42 WeakPolarHBondContact O-CE1 3.08Å; V18-F42 HydrophobicContact CG1-CZ 4.26Å; S39-F42 VanDerWaalsContact CB-CE1 3.49Å; S39-F42 WeakPolarHBondContact CB-O 3.36Å; S39-F42 PolarHBondContact OG-O 3.18Å; L40-F42 VanDerWaalsContact O-CD1 3.23Å; L40-F42 WeakPolarHBondContact O-CD1 3.31Å; L40-F42 PolarHBondContact O-N 2.8Å; L40-F42 VanDerWaalsContact O-N 3.07Å; F42-A44 HydrophobicContact CD2-CB 4.21Å; F42-A44 HydrophobicContact CE2-CB 3.72Å; F42-A110 HydrophobicContact CE2-CB 4.07Å; F42-A110 HydrophobicContact CZ-CB 3.91Å
43	Q	95.1	Very high	97.1	Very high	141 Å²	141	49.8 Å²	49.8	66%	0.659	24%	0.244	S	C	*	.			trans	-96.8	123.3	173	-68.3	179.4	95.2	0	0	108.5	L88 T89	Q43-L88 HydrophobicContact CB-CB 3.95Å; Q43-L88 HydrophobicContact CB-CD1 4.23Å; Q43-L88 HydrophobicContact CG-CB 4.29Å; Q43-L88 HydrophobicContact CG-CD1 4.48Å; Q43-T89 HydrophobicContact CG-CG2 4.47Å
44	A	95.7	Very high	96.8	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.277	C	S	.	.			trans	-107.5	121.5	178.5	0	0	0	0	0	109.8	F42 T46 M47 L88 A110 R111	F42-A44 HydrophobicContact CD2-CB 4.21Å; F42-A44 HydrophobicContact CE2-CB 3.72Å; A44-T46 VanDerWaalsContact C-N 3.27Å; A44-M47 HydrophobicContact CB-CE 4.14Å; A44-L88 PolarHBondContact N-O 3.1Å; A44-L88 WeakPolarHBondContact O-CA 3.17Å; A44-A110 HydrophobicContact CB-CB 3.51Å; A44-R111 CarbonylContact C-O 3.48Å; A44-R111 VanDerWaalsContact CA-O 3.26Å; A44-R111 WeakPolarHBondContact CA-O 3.24Å; A44-R111 WeakPolarHBondContact CB-O 3.37Å
45	T	97.1	Very high	96.6	Very high	82 Å²	82	66.4 Å²	66.4	50%	0.503	31%	0.305	S	S	.	.	S	Bend	trans	-75.5	-23.4	174.1	51.4	0	0	0	0	111.7	N65 E66 L88 R111	T45-N65 WeakPolarHBondContact O-CA 2.99Å; T45-E66 PolarHBondContact O-N 3.09Å; T45-L88 HydrophobicContact CG2-CD2 3.95Å; T45-R111 PolarHBondContact N-O 3.17Å
46	T	98.1	Very high	96.5	Very high	20 Å²	20	70.2 Å²	70.2	12%	0.123	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	129.6	-176.8	-53	0	0	0	0	111	A44 F48 T63 S64 N65 A110 R111	A44-T46 VanDerWaalsContact C-N 3.27Å; T46-F48 HydrophobicContact CG2-CD1 4.42Å; T46-F48 HydrophobicContact CG2-CD2 4.33Å; T46-F48 HydrophobicContact CG2-CE1 3.79Å; T46-F48 HydrophobicContact CG2-CE2 3.69Å; T46-F48 HydrophobicContact CG2-CZ 3.38Å; T46-T63 HydrophobicContact CG2-CG2 3.49Å; T46-T63 VanDerWaalsContact CG2-CG2 3.49Å; T46-S64 CarbonylContact C-O 3.6Å; T46-S64 WeakPolarHBondContact CA-O 3.42Å; T46-N65 WeakPolarHBondContact CB-OD1 3.33Å; T46-N65 VanDerWaalsContact CG2-OD1 3.24Å; T46-N65 WeakPolarHBondContact CG2-OD1 2.95Å; T46-N65 PolarHBondContact OG1-OD1 2.99Å; T46-A110 CarbonylContact O-C 3.49Å; T46-A110 WeakPolarHBondContact O-CA 3.45Å; T46-R111 PolarHBondContact N-O 3.14Å; T46-R111 PolarHBondContact O-N 2.91Å
47	M	98.2	Very high	96.4	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	133.8	173.9	-70.8	-85.3	-172.5	0	0	109.6	A44 S64 A110	A44-M47 HydrophobicContact CB-CE 4.14Å; M47-S64 PolarHBondContact N-O 3.15Å; M47-S64 PolarHBondContact O-N 3.4Å; M47-A110 HydrophobicContact CE-CB 3.91Å; M47-A110 HydrophobicContact SD-CB 3.44Å; M47-A110 WeakPolarHBondContact SD-CB 3.21Å
48	F	98.7	Very high	96.4	Very high	44 Å²	44	75.5 Å²	75.5	19%	0.193	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139.2	179.3	-54.6	-87.6	0	0	0	109.9	T46 Y50 L60 T63 C108 S109 R111	T46-F48 HydrophobicContact CG2-CD1 4.42Å; T46-F48 HydrophobicContact CG2-CD2 4.33Å; T46-F48 HydrophobicContact CG2-CE1 3.79Å; T46-F48 HydrophobicContact CG2-CE2 3.69Å; T46-F48 HydrophobicContact CG2-CZ 3.38Å; F48-Y50 HydrophobicContact CB-CD2 4.44Å; F48-Y50 HydrophobicContact CB-CE2 3.55Å; F48-L60 HydrophobicContact CB-CD1 4.05Å; F48-L60 HydrophobicContact CD1-CD1 4.11Å; F48-T63 HydrophobicContact CD1-CG2 3.94Å; F48-T63 HydrophobicContact CE1-CG2 3.67Å; F48-T63 HydrophobicContact CZ-CG2 4.48Å; F48-C108 CarbonylContact O-C 3.56Å; F48-C108 WeakPolarHBondContact O-CA 3.47Å; F48-S109 WeakPolarHBondContact CD2-OG 3.4Å; F48-S109 PolarHBondContact N-O 3.39Å; F48-S109 PolarHBondContact O-N 2.73Å; F48-R111 HydrophobicContact CE2-CB 4Å
49	W	98.8	Very high	96.4	Very high	1 Å²	1	74.4 Å²	74.4	0%	0.004	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.6	173.4	-76	97	0	0	0	110.5	I35 C37 M61 A62 I83 S91 L93 C108	I35-W49 HydrophobicContact CB-CH2 4.28Å; I35-W49 HydrophobicContact CB-CZ3 4.37Å; I35-W49 HydrophobicContact CG2-CH2 4.02Å; I35-W49 HydrophobicContact CG2-CZ3 4.01Å; I35-W49 VanDerWaalsContact O-CH2 3.28Å; I35-W49 WeakPolarHBondContact O-CH2 3.28Å; C37-W49 HydrophobicContact CB-CH2 3.77Å; C37-W49 HydrophobicContact CB-CZ2 3.64Å; W49-M61 WeakPolarHBondContact O-CA 3.3Å; W49-M61 WeakPolarHBondContact O-CB 3.24Å; W49-M61 PolarHBondContact O-N 2.84Å; W49-A62 PolarHBondContact N-O 2.65Å; W49-A62 PolarHBondContact O-N 2.91Å; W49-I83 HydrophobicContact CB-CD1 4.12Å; W49-I83 HydrophobicContact CG-CD1 3.98Å; W49-I83 HydrophobicContact CG-CG1 4.34Å; W49-S91 PolarHBondContact NE1-OG 3.17Å; W49-L93 HydrophobicContact CB-CD1 4.02Å; W49-L93 HydrophobicContact CD2-CB 3.55Å; W49-L93 HydrophobicContact CD2-CD1 4.08Å; W49-L93 HydrophobicContact CD2-CG 4.39Å; W49-L93 HydrophobicContact CE3-CB 3.64Å; W49-L93 HydrophobicContact CE3-CD1 4.22Å; W49-L93 HydrophobicContact CE3-CG 4.34Å; W49-L93 HydrophobicContact CG-CB 4.18Å; W49-L93 HydrophobicContact CG-CD1 4Å; W49-L93 HydrophobicContact CH2-CB 3.87Å; W49-L93 HydrophobicContact CZ2-CB 3.79Å; W49-L93 HydrophobicContact CZ3-CB 3.8Å; W49-C108 HydrophobicContact CD2-CB 4.12Å; W49-C108 HydrophobicContact CE3-CB 3.92Å; W49-C108 HydrophobicContact CH2-CB 3.92Å; W49-C108 HydrophobicContact CZ2-CB 4.09Å; W49-C108 HydrophobicContact CZ3-CB 3.82Å
50	Y	98.8	Very high	96.5	Very high	52 Å²	52	76.6 Å²	76.6	20%	0.204	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	154.2	-178.2	-55.3	-94	0	0	0	111	F48 L58 M59 L60 Y106 I107 S109	F48-Y50 HydrophobicContact CB-CD2 4.44Å; F48-Y50 HydrophobicContact CB-CE2 3.55Å; Y50-L58 HydrophobicContact CD1-CD2 4.06Å; Y50-L58 HydrophobicContact CD1-CG 4.04Å; Y50-L58 HydrophobicContact CG-CD1 4.33Å; Y50-L58 HydrophobicContact CG-CD2 4.11Å; Y50-L58 HydrophobicContact CG-CG 4.14Å; Y50-M59 CarbonylContact C-O 3.54Å; Y50-M59 WeakPolarHBondContact CA-O 3.19Å; Y50-M59 WeakPolarHBondContact CB-O 3.28Å; Y50-L60 HydrophobicContact CD1-CB 4.11Å; Y50-L60 HydrophobicContact CD1-CD1 3.98Å; Y50-L60 HydrophobicContact CE1-CB 4.05Å; Y50-L60 HydrophobicContact CE1-CD1 3.58Å; Y50-L60 HydrophobicContact CE1-CG 4.41Å; Y50-L60 HydrophobicContact CE2-CD1 4.49Å; Y50-Y106 WeakPolarHBondContact O-CA 3.31Å; Y50-I107 WeakPolarHBondContact CD2-O 3.36Å; Y50-I107 PolarHBondContact N-O 2.88Å; Y50-I107 PolarHBondContact O-N 3.18Å; Y50-S109 WeakPolarHBondContact CE2-OG 3.39Å
51	R	98.4	Very high	96.7	Very high	39 Å²	39	73.6 Å²	73.6	15%	0.147	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	137.2	172	-163.3	173.3	-177.2	-155.7	-9	110.3	M59 M61 E101 D102 S104 F105 Y106	R51-M59 PolarHBondContact N-O 2.9Å; R51-M59 PolarHBondContact O-N 2.78Å; R51-M61 HydrophobicContact CB-CG 3.72Å; R51-M61 HydrophobicContact CB-SD 3.63Å; R51-M61 HydrophobicContact CG-SD 4.39Å; R51-E101 PolarHBondContact NH2-O 2.85Å; R51-D102 VanDerWaalsContact NH2-CA 3.26Å; R51-D102 PolarHBondContact NH2-O 2.93Å; R51-S104 WeakPolarHBondContact CG-OG 3.37Å; R51-S104 PolarHBondContact NE-OG 3.19Å; R51-S104 PolarHBondContact NH2-OG 3.11Å; R51-F105 CarbonylContact C-O 3.46Å; R51-F105 WeakPolarHBondContact CA-O 3.4Å; R51-Y106 HydrophobicContact CG-CD1 4.37Å; R51-Y106 HydrophobicContact CG-CE1 4.05Å; R51-Y106 PolarHBondContact NE-OH 3.35Å
52	Q	98.2	Very high	97.2	Very high	66 Å²	66	65.5 Å²	65.5	31%	0.308	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	110.7	168.8	-170.3	177.2	28.3	0	0	110.5	Q56 L58 S104 F105	Q52-Q56 WeakPolarHBondContact CG-O 3.5Å; Q52-Q56 PolarHBondContact NE2-O 3.01Å; Q52-L58 HydrophobicContact CB-CD1 3.89Å; Q52-S104 VanDerWaalsContact O-CB 3.28Å; Q52-S104 WeakPolarHBondContact O-CB 3.36Å; Q52-F105 HydrophobicContact CB-CB 4.21Å; Q52-F105 PolarHBondContact N-O 2.9Å; Q52-F105 PolarHBondContact O-N 2.92Å
53	L	96	Very high	97.4	Very high	41 Å²	41	64.5 Å²	64.5	22%	0.215	31%	0.309	C	S	.	.			trans	-73.2	156	169.5	-70.6	168.3	0	0	0	110	K55 Q56 M59	L53-K55 PolarHBondContact O-N 2.99Å; L53-Q56 HydrophobicContact CB-CB 4.04Å; L53-Q56 HydrophobicContact CB-CG 4Å; L53-Q56 PolarHBondContact O-N 2.87Å; L53-M59 HydrophobicContact CD1-CE 4.49Å
54	R	93.4	Very high	97.6	Very high	214 Å²	214	57.9 Å²	57.9	81%	0.808	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	129.3	178.1	-71.7	-172.5	177.1	-176	-0	110.3	Q56	R54-Q56 PolarHBondContact O-N 2.79Å
55	K	94.7	Very high	97.7	Very high	222 Å²	222	60.7 Å²	60.7	97%	0.965	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	17.7	178.5	-51	179	177.2	-178.1	0	114.5	L53	L53-K55 PolarHBondContact O-N 2.99Å
56	Q	96.4	Very high	97.6	Very high	96 Å²	96	61.2 Å²	61.2	45%	0.449	29%	0.29	S	S	.	.	S	Bend	trans	-112.8	165.1	174.4	-60.5	-175	29.9	0	0	110.4	Q52 L53 R54	Q52-Q56 WeakPolarHBondContact CG-O 3.5Å; Q52-Q56 PolarHBondContact NE2-O 3.01Å; L53-Q56 HydrophobicContact CB-CB 4.04Å; L53-Q56 HydrophobicContact CB-CG 4Å; L53-Q56 PolarHBondContact O-N 2.87Å; R54-Q56 PolarHBondContact O-N 2.79Å
57	S	97.3	Very high	97.5	Very high	86 Å²	86	63.8 Å²	63.8	60%	0.601	32%	0.32	S	S	*	.			trans	-68.6	161.3	173.2	50.2	0	0	0	0	111.5
58	L	97.6	Very high	97.5	Very high	82 Å²	82	67.3 Å²	67.3	43%	0.429	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	129.2	168.9	-170.5	67.9	0	0	0	109.1	Y50 Q52 I107	Y50-L58 HydrophobicContact CD1-CD2 4.06Å; Y50-L58 HydrophobicContact CD1-CG 4.04Å; Y50-L58 HydrophobicContact CG-CD1 4.33Å; Y50-L58 HydrophobicContact CG-CD2 4.11Å; Y50-L58 HydrophobicContact CG-CG 4.14Å; Q52-L58 HydrophobicContact CB-CD1 3.89Å; L58-I107 HydrophobicContact CD1-CD1 3.87Å
59	M	98.2	Very high	97.4	Very high	82 Å²	82	72.8 Å²	72.8	40%	0.404	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	135.2	178.2	-62.8	-174.7	-63.6	0	0	109.8	Y50 R51 L53	Y50-M59 CarbonylContact C-O 3.54Å; Y50-M59 WeakPolarHBondContact CA-O 3.19Å; Y50-M59 WeakPolarHBondContact CB-O 3.28Å; R51-M59 PolarHBondContact N-O 2.9Å; R51-M59 PolarHBondContact O-N 2.78Å; L53-M59 HydrophobicContact CD1-CE 4.49Å
60	L	98.7	Very high	97.4	Very high	55 Å²	55	74 Å²	74	29%	0.288	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	134.9	168.3	-176.5	66.2	0	0	0	108.5	F48 Y50 E73	F48-L60 HydrophobicContact CB-CD1 4.05Å; F48-L60 HydrophobicContact CD1-CD1 4.11Å; Y50-L60 HydrophobicContact CD1-CB 4.11Å; Y50-L60 HydrophobicContact CD1-CD1 3.98Å; Y50-L60 HydrophobicContact CE1-CB 4.05Å; Y50-L60 HydrophobicContact CE1-CD1 3.58Å; Y50-L60 HydrophobicContact CE1-CG 4.41Å; Y50-L60 HydrophobicContact CE2-CD1 4.49Å; L60-E73 HydrophobicContact CB-CG 4.18Å; L60-E73 HydrophobicContact CD2-CG 4.21Å; L60-E73 HydrophobicContact CG-CG 4.01Å; L60-E73 WeakPolarHBondContact O-CG 3.27Å
61	M	98.7	Very high	97.4	Very high	5 Å²	5	75.6 Å²	75.6	3%	0.025	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-44.7	174.9	-63.2	180	71.5	0	0	111.5	W49 R51 E73 V76 F81 L93 Y106	W49-M61 WeakPolarHBondContact O-CA 3.3Å; W49-M61 WeakPolarHBondContact O-CB 3.24Å; W49-M61 PolarHBondContact O-N 2.84Å; R51-M61 HydrophobicContact CB-CG 3.72Å; R51-M61 HydrophobicContact CB-SD 3.63Å; R51-M61 HydrophobicContact CG-SD 4.39Å; M61-E73 PolarHBondContact O-N 2.79Å; M61-V76 HydrophobicContact CB-CG1 4.29Å; M61-V76 HydrophobicContact CB-CG2 4.29Å; M61-V76 HydrophobicContact CE-CG1 3.93Å; M61-F81 HydrophobicContact CE-CB 3.75Å; M61-F81 HydrophobicContact CE-CD1 3.67Å; M61-F81 HydrophobicContact CE-CD2 3.57Å; M61-F81 HydrophobicContact CE-CE1 4.15Å; M61-F81 HydrophobicContact CE-CE2 4.04Å; M61-F81 HydrophobicContact CE-CG 3.35Å; M61-F81 HydrophobicContact CE-CZ 4.31Å; M61-L93 HydrophobicContact CE-CD1 4.15Å; M61-L93 HydrophobicContact SD-CD1 4.08Å; M61-Y106 HydrophobicContact CE-CE1 4.21Å; M61-Y106 HydrophobicContact SD-CD1 3.97Å; M61-Y106 HydrophobicContact SD-CE1 4.07Å
62	A	98.8	Very high	97.4	Very high	0 Å²	0	75.9 Å²	75.9	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	152.4	-172.8	0	0	0	0	0	111.5	W49 V70 T71 Y72 I83	W49-A62 PolarHBondContact N-O 2.65Å; W49-A62 PolarHBondContact O-N 2.91Å; A62-V70 HydrophobicContact CB-CG1 3.84Å; A62-T71 CarbonylContact C-O 3.52Å; A62-T71 WeakPolarHBondContact CA-O 2.98Å; A62-T71 VanDerWaalsContact CB-O 3.3Å; A62-T71 WeakPolarHBondContact CB-O 3.3Å; A62-Y72 HydrophobicContact CB-CD1 3.79Å; A62-Y72 HydrophobicContact CB-CE1 4.03Å; A62-Y72 HydrophobicContact CB-CG 4.24Å; A62-I83 HydrophobicContact CB-CD1 3.4Å; A62-I83 VanDerWaalsContact CB-CD1 3.4Å
63	T	98.8	Very high	97.4	Very high	26 Å²	26	77 Å²	77	16%	0.16	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	129.3	170.3	-57.7	0	0	0	0	108.5	T46 F48 T71	T46-T63 HydrophobicContact CG2-CG2 3.49Å; T46-T63 VanDerWaalsContact CG2-CG2 3.49Å; F48-T63 HydrophobicContact CD1-CG2 3.94Å; F48-T63 HydrophobicContact CE1-CG2 3.67Å; F48-T63 HydrophobicContact CZ-CG2 4.48Å; T63-T71 PolarHBondContact N-O 3.37Å; T63-T71 PolarHBondContact O-N 2.8Å
64	S	98.5	Very high	97.5	Very high	3 Å²	3	84.5 Å²	84.5	2%	0.021	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	115	176.8	-178.7	0	0	0	0	109.7	T46 M47 H85	T46-S64 CarbonylContact C-O 3.6Å; T46-S64 WeakPolarHBondContact CA-O 3.42Å; M47-S64 PolarHBondContact N-O 3.15Å; M47-S64 PolarHBondContact O-N 3.4Å; S64-H85 PolarHBondContact O-CE1 2.95Å; S64-H85 PolarHBondContact O-ND1 3.07Å; S64-H85 WeakPolarHBondContact OG-CB 3.41Å; S64-H85 PolarHBondContact OG-ND1 3.32Å
65	N	98.2	Very high	97.7	Very high	58 Å²	58	77.9 Å²	77.9	31%	0.31	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	138.1	170.2	-59.7	-56.7	0	0	0	108.8	T45 T46 S68	T45-N65 WeakPolarHBondContact O-CA 2.99Å; T46-N65 WeakPolarHBondContact CB-OD1 3.33Å; T46-N65 VanDerWaalsContact CG2-OD1 3.24Å; T46-N65 WeakPolarHBondContact CG2-OD1 2.95Å; T46-N65 PolarHBondContact OG1-OD1 2.99Å; N65-S68 PolarHBondContact O-N 2.85Å; N65-S68 VanDerWaalsContact O-N 3.14Å
66	E	96	Very high	97.9	Very high	93 Å²	93	68.9 Å²	68.9	44%	0.435	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	140	174.3	-169.2	-80	146.1	0	0	110.2	T45 S68 L88	T45-E66 PolarHBondContact O-N 3.09Å; E66-S68 PolarHBondContact O-N 2.85Å; E66-L88 HydrophobicContact CB-CD2 3.78Å; E66-L88 HydrophobicContact CG-CD2 3.77Å; E66-L88 HydrophobicContact CG-CG 4.29Å
67	G	95.4	Very high	97.9	Very high	74 Å²	74	71.8 Å²	71.8	76%	0.763	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	4.2	-176.7	0	0	0	0	0	116.1
68	S	97.4	Very high	98	Very high	74 Å²	74	72.9 Å²	72.9	52%	0.517	40%	0.402	S	S	.	.	S	Bend	trans	-124.3	159.2	-178.3	-56.9	0	0	0	0	112.9	N65 E66	N65-S68 PolarHBondContact O-N 2.85Å; N65-S68 VanDerWaalsContact O-N 3.14Å; E66-S68 PolarHBondContact O-N 2.85Å
69	E	97.5	Very high	98	Very high	160 Å²	160	75.6 Å²	75.6	75%	0.748	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-64.7	143.6	169	-68.5	-161.3	171.8	0	0	111.7	T71	E69-T71 PolarHBondContact O-N 3.07Å
70	V	98.6	Very high	98	Very high	27 Å²	27	73.4 Å²	73.4	16%	0.164	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-66.6	127.1	176.8	-177.6	0	0	0	0	109.9	A62 Y72 I83	A62-V70 HydrophobicContact CB-CG1 3.84Å; V70-Y72 HydrophobicContact CB-CD2 4.43Å; V70-Y72 HydrophobicContact CB-CE2 3.7Å; V70-Y72 HydrophobicContact CG1-CD2 4.05Å; V70-Y72 HydrophobicContact CG1-CE1 4.33Å; V70-Y72 HydrophobicContact CG1-CE2 3.5Å; V70-Y72 VanDerWaalsContact CG1-CE2 3.5Å; V70-Y72 WeakPolarHBondContact O-CD2 3.28Å; V70-I83 HydrophobicContact CG1-CB 4.18Å; V70-I83 HydrophobicContact CG1-CD1 3.92Å; V70-I83 HydrophobicContact CG1-CG2 4.48Å; V70-I83 HydrophobicContact CG2-CB 4.08Å; V70-I83 HydrophobicContact CG2-CG2 4.05Å
71	T	98.7	Very high	98	Very high	84 Å²	84	71.5 Å²	71.5	52%	0.515	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	124	174.9	-57.1	0	0	0	0	109.6	A62 T63 E69	A62-T71 CarbonylContact C-O 3.52Å; A62-T71 WeakPolarHBondContact CA-O 2.98Å; A62-T71 VanDerWaalsContact CB-O 3.3Å; A62-T71 WeakPolarHBondContact CB-O 3.3Å; T63-T71 PolarHBondContact N-O 3.37Å; T63-T71 PolarHBondContact O-N 2.8Å; E69-T71 PolarHBondContact O-N 3.07Å
72	Y	98.8	Very high	98	Very high	46 Å²	46	73.4 Å²	73.4	18%	0.18	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	141.2	-179.2	-69.1	-95.1	0	0	0	111.3	A62 V70 V76 K78 F81 I83	A62-Y72 HydrophobicContact CB-CD1 3.79Å; A62-Y72 HydrophobicContact CB-CE1 4.03Å; A62-Y72 HydrophobicContact CB-CG 4.24Å; V70-Y72 HydrophobicContact CB-CD2 4.43Å; V70-Y72 HydrophobicContact CB-CE2 3.7Å; V70-Y72 HydrophobicContact CG1-CD2 4.05Å; V70-Y72 HydrophobicContact CG1-CE1 4.33Å; V70-Y72 HydrophobicContact CG1-CE2 3.5Å; V70-Y72 VanDerWaalsContact CG1-CE2 3.5Å; V70-Y72 WeakPolarHBondContact O-CD2 3.28Å; Y72-V76 HydrophobicContact CD1-CB 4.3Å; Y72-V76 HydrophobicContact CD1-CG1 3.71Å; Y72-V76 HydrophobicContact CE1-CG1 4.42Å; Y72-K78 HydrophobicContact CD2-CB 4.14Å; Y72-K78 HydrophobicContact CD2-CD 4.44Å; Y72-K78 HydrophobicContact CD2-CG 4.31Å; Y72-K78 HydrophobicContact CE1-CB 4.42Å; Y72-K78 HydrophobicContact CE2-CB 3.86Å; Y72-K78 HydrophobicContact CE2-CD 3.87Å; Y72-K78 HydrophobicContact CE2-CG 3.6Å; Y72-F81 WeakPolarHBondContact CE1-O 3.42Å; Y72-F81 PolarHBondContact OH-O 2.78Å; Y72-I83 HydrophobicContact CE1-CD1 4.1Å; Y72-I83 PolarHBondContact OH-N 3.06Å
73	E	98.6	Very high	98	Very high	89 Å²	89	74.4 Å²	74.4	42%	0.416	41%	0.412	S	S	.	.			trans	-68.7	157.4	172	-68	-58.5	132.5	0	0	111.5	L60 M61 G75 V76	L60-E73 HydrophobicContact CB-CG 4.18Å; L60-E73 HydrophobicContact CD2-CG 4.21Å; L60-E73 HydrophobicContact CG-CG 4.01Å; L60-E73 WeakPolarHBondContact O-CG 3.27Å; M61-E73 PolarHBondContact O-N 2.79Å; E73-G75 PolarHBondContact O-N 2.01Å; E73-V76 HydrophobicContact CB-CG2 4.22Å; E73-V76 WeakPolarHBondContact O-CB 3.27Å; E73-V76 PolarHBondContact O-N 3.48Å; E73-V76 VanDerWaalsContact O-N 3.1Å
74	Q	97.9	Very high	98	Very high	198 Å²	198	77.8 Å²	77.8	93%	0.925	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	131.7	-178.1	-170	177.7	20.7	0	0	111.7	V76	Q74-V76 VanDerWaalsContact C-N 3.29Å; Q74-V76 PolarHBondContact O-N 2.97Å
75	G	96.9	Very high	97.9	Very high	76 Å²	76	78.6 Å²	78.6	78%	0.784	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	-8.3	179.9	0	0	0	0	0	114.8	E73	E73-G75 PolarHBondContact O-N 2.01Å
76	V	98.1	Very high	97.9	Very high	33 Å²	33	79.1 Å²	79.1	20%	0.2	44%	0.44	C	S	.	.			trans	-82.9	119.7	173.1	-173.9	0	0	0	0	109.7	M61 Y72 E73 Q74 K78 F81	M61-V76 HydrophobicContact CB-CG1 4.29Å; M61-V76 HydrophobicContact CB-CG2 4.29Å; M61-V76 HydrophobicContact CE-CG1 3.93Å; Y72-V76 HydrophobicContact CD1-CB 4.3Å; Y72-V76 HydrophobicContact CD1-CG1 3.71Å; Y72-V76 HydrophobicContact CE1-CG1 4.42Å; E73-V76 HydrophobicContact CB-CG2 4.22Å; E73-V76 WeakPolarHBondContact O-CB 3.27Å; E73-V76 PolarHBondContact O-N 3.48Å; E73-V76 VanDerWaalsContact O-N 3.1Å; Q74-V76 VanDerWaalsContact C-N 3.29Å; Q74-V76 PolarHBondContact O-N 2.97Å; V76-K78 PolarHBondContact O-N 2.78Å; V76-F81 HydrophobicContact CG1-CB 4.47Å; V76-F81 HydrophobicContact CG1-CD2 3.84Å
77	K	97.9	Very high	97.9	Very high	157 Å²	157	77.8 Å²	77.8	68%	0.683	44%	0.435	S	S	*	.			trans	-84.1	111.9	-179.8	-63.1	-179.7	-177.9	-179.5	0	110.1	D79 K80 F81	K77-D79 VanDerWaalsContact C-N 3.28Å; K77-D79 PolarHBondContact O-N 3.19Å; K77-K80 HydrophobicContact CB-CB 3.79Å; K77-K80 WeakPolarHBondContact O-CA 3.39Å; K77-K80 WeakPolarHBondContact O-CB 3.35Å; K77-K80 PolarHBondContact O-N 2.74Å; K77-F81 PolarHBondContact O-N 2.89Å
78	K	98	Very high	98	Very high	108 Å²	108	76.4 Å²	76.4	47%	0.47	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-44.9	177.6	176.7	174.1	178.6	178.8	0	112.9	Y72 V76 K80 F81 P82	Y72-K78 HydrophobicContact CD2-CB 4.14Å; Y72-K78 HydrophobicContact CD2-CD 4.44Å; Y72-K78 HydrophobicContact CD2-CG 4.31Å; Y72-K78 HydrophobicContact CE1-CB 4.42Å; Y72-K78 HydrophobicContact CE2-CB 3.86Å; Y72-K78 HydrophobicContact CE2-CD 3.87Å; Y72-K78 HydrophobicContact CE2-CG 3.6Å; V76-K78 PolarHBondContact O-N 2.78Å; K78-K80 PolarHBondContact O-N 2.96Å; K78-F81 CarbonylContact O-C 3.36Å; K78-F81 VanDerWaalsContact O-C 3.23Å; K78-F81 PolarHBondContact O-N 2.96Å; K78-P82 WeakPolarHBondContact O-CA 3.48Å; K78-P82 VanDerWaalsContact O-CD 3.31Å; K78-P82 WeakPolarHBondContact O-CD 3.21Å
79	D	98.1	Very high	98	Very high	139 Å²	139	75.8 Å²	75.8	74%	0.743	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-21.2	-179.1	-56.1	-32.8	0	0	0	113.5	K77 T96	K77-D79 VanDerWaalsContact C-N 3.28Å; K77-D79 PolarHBondContact O-N 3.19Å; D79-T96 WeakPolarHBondContact O-CG2 3.47Å; D79-T96 PolarHBondContact O-OG1 2.85Å
80	K	98.5	Very high	98.1	Very high	37 Å²	37	69.3 Å²	69.3	16%	0.161	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-34.2	174.8	-175.7	58.2	179.7	-174.5	0	111.9	K77 K78 P82 T96 S97 D102	K77-K80 HydrophobicContact CB-CB 3.79Å; K77-K80 WeakPolarHBondContact O-CA 3.39Å; K77-K80 WeakPolarHBondContact O-CB 3.35Å; K77-K80 PolarHBondContact O-N 2.74Å; K78-K80 PolarHBondContact O-N 2.96Å; K80-P82 VanDerWaalsContact C-CD 3.43Å; K80-T96 VanDerWaalsContact CA-OG1 3.27Å; K80-T96 WeakPolarHBondContact CA-OG1 3.44Å; K80-T96 WeakPolarHBondContact CD-O 3.22Å; K80-T96 WeakPolarHBondContact CE-O 3.2Å; K80-T96 PolarHBondContact NZ-O 2.95Å; K80-T96 PolarHBondContact O-N 2.82Å; K80-T96 PolarHBondContact O-OG1 2.83Å; K80-S97 PolarHBondContact NZ-O 2.83Å; K80-D102 WeakPolarHBondContact CE-OD1 3.27Å; K80-D102 WeakPolarHBondContact CE-OD2 3.45Å; K80-D102 IonicContact NZ-OD1 3.33Å; K80-D102 IonicContact NZ-OD2 2.79Å; K80-D102 PolarHBondContact NZ-OD2 2.93Å
81	F	98.6	Very high	98.1	Very high	14 Å²	14	68 Å²	68	6%	0.061	37%	0.365	C	S	.	.	S	Bend	trans	-130.3	54	-173.9	-55.3	-67.7	0	0	0	112.4	M61 Y72 V76 K77 K78 I83 L93 T94 V95 Y106	M61-F81 HydrophobicContact CE-CB 3.75Å; M61-F81 HydrophobicContact CE-CD1 3.67Å; M61-F81 HydrophobicContact CE-CD2 3.57Å; M61-F81 HydrophobicContact CE-CE1 4.15Å; M61-F81 HydrophobicContact CE-CE2 4.04Å; M61-F81 HydrophobicContact CE-CG 3.35Å; M61-F81 HydrophobicContact CE-CZ 4.31Å; Y72-F81 WeakPolarHBondContact CE1-O 3.42Å; Y72-F81 PolarHBondContact OH-O 2.78Å; V76-F81 HydrophobicContact CG1-CB 4.47Å; V76-F81 HydrophobicContact CG1-CD2 3.84Å; K77-F81 PolarHBondContact O-N 2.89Å; K78-F81 CarbonylContact O-C 3.36Å; K78-F81 VanDerWaalsContact O-C 3.23Å; K78-F81 PolarHBondContact O-N 2.96Å; F81-I83 PolarHBondContact O-N 3.24Å; F81-L93 HydrophobicContact CB-CD1 4.25Å; F81-T94 VanDerWaalsContact CA-O 3.3Å; F81-T94 WeakPolarHBondContact CA-O 3.43Å; F81-V95 HydrophobicContact CD1-CG2 4.24Å; F81-V95 HydrophobicContact CE1-CG1 4.1Å; F81-V95 HydrophobicContact CE1-CG2 4.22Å; F81-Y106 HydrophobicContact CD1-CE1 4.14Å; F81-Y106 AromaticContact CE1-CE1 3.85Å; F81-Y106 HydrophobicContact CE1-CE1 3.85Å; F81-Y106 AromaticContact CE1-CZ 3.98Å; F81-Y106 VanDerWaalsContact CE1-OH 3.31Å; F81-Y106 WeakPolarHBondContact CE1-OH 3.45Å
82	P	98.6	Very high	98.1	Very high	46 Å²	46	64.2 Å²	64.2	30%	0.299	34%	0.342	S	S	.	.			trans	-62.4	135.1	-179.8	25	-33.3	0	0	0	110.3	K78 K80 T94 T96	K78-P82 WeakPolarHBondContact O-CA 3.48Å; K78-P82 VanDerWaalsContact O-CD 3.31Å; K78-P82 WeakPolarHBondContact O-CD 3.21Å; K80-P82 VanDerWaalsContact C-CD 3.43Å; P82-T94 VanDerWaalsContact CD-O 3.28Å; P82-T94 WeakPolarHBondContact CD-O 3.23Å; P82-T94 PolarHBondContact O-N 3.04Å; P82-T96 HydrophobicContact CG-CG2 3.67Å
83	I	98.8	Very high	98.1	Very high	20 Å²	20	62 Å²	62	10%	0.103	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	130.3	177.6	-70	158.8	0	0	0	109.4	W49 A62 V70 Y72 F81 A92 L93	W49-I83 HydrophobicContact CB-CD1 4.12Å; W49-I83 HydrophobicContact CG-CD1 3.98Å; W49-I83 HydrophobicContact CG-CG1 4.34Å; A62-I83 HydrophobicContact CB-CD1 3.4Å; A62-I83 VanDerWaalsContact CB-CD1 3.4Å; V70-I83 HydrophobicContact CG1-CB 4.18Å; V70-I83 HydrophobicContact CG1-CD1 3.92Å; V70-I83 HydrophobicContact CG1-CG2 4.48Å; V70-I83 HydrophobicContact CG2-CB 4.08Å; V70-I83 HydrophobicContact CG2-CG2 4.05Å; Y72-I83 HydrophobicContact CE1-CD1 4.1Å; Y72-I83 PolarHBondContact OH-N 3.06Å; F81-I83 PolarHBondContact O-N 3.24Å; I83-A92 CarbonylContact C-O 3.47Å; I83-A92 VanDerWaalsContact CA-O 3.27Å; I83-A92 WeakPolarHBondContact CA-O 3.35Å; I83-L93 HydrophobicContact CD1-CD1 4.12Å; I83-L93 HydrophobicContact CG1-CB 4.19Å; I83-L93 HydrophobicContact CG1-CD1 3.93Å; I83-L93 HydrophobicContact CG1-CG 4.4Å
84	N	98.1	Very high	98.1	Very high	97 Å²	97	59.5 Å²	59.5	52%	0.519	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	120.5	171.3	-177.1	22.9	0	0	0	109.4	S91 A92	N84-S91 CarbonylContact O-C 3.23Å; N84-S91 VanDerWaalsContact O-CA 3.3Å; N84-S91 WeakPolarHBondContact O-CA 3.36Å; N84-A92 PolarHBondContact N-O 2.73Å; N84-A92 PolarHBondContact O-N 2.89Å
85	H	97.9	Very high	98.1	Very high	20 Å²	20	50.3 Å²	50.3	9%	0.093	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	78.1	179.4	-178.2	-163.9	0	0	0	109.2	S64 N87 F90	S64-H85 PolarHBondContact O-CE1 2.95Å; S64-H85 PolarHBondContact O-ND1 3.07Å; S64-H85 WeakPolarHBondContact OG-CB 3.41Å; S64-H85 PolarHBondContact OG-ND1 3.32Å; H85-N87 PolarHBondContact CD2-O 3.41Å; H85-N87 PolarHBondContact NE2-O 2.85Å; H85-F90 PolarHBondContact CD2-O 2.84Å
86	P	96.8	Very high	98.2	Very high	70 Å²	70	48.4 Å²	48.4	46%	0.455	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-15.9	-170.6	32	-37.5	0	0	0	114.5	F90	P86-F90 WeakPolarHBondContact CD-O 3.47Å; P86-F90 HydrophobicContact CG-CD1 3.71Å; P86-F90 HydrophobicContact CG-CE1 4.38Å
87	N	97	Very high	98.2	Very high	65 Å²	65	49.3 Å²	49.3	35%	0.348	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	170.8	-178.5	63.4	65.1	0	0	0	111.4	H85 T89 F90	H85-N87 PolarHBondContact CD2-O 3.41Å; H85-N87 PolarHBondContact NE2-O 2.85Å; N87-T89 PolarHBondContact O-N 3.33Å; N87-T89 PolarHBondContact OD1-N 2.77Å; N87-T89 PolarHBondContact OD1-OG1 2.79Å; N87-F90 PolarHBondContact O-N 3.33Å; N87-F90 PolarHBondContact OD1-N 3.07Å
88	L	97.8	Very high	98.2	Very high	45 Å²	45	42.3 Å²	42.3	24%	0.236	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-3	-175.5	-58.5	172.3	0	0	0	116.1	S39 Q43 A44 T45 E66	S39-L88 PolarHBondContact OG-O 3.46Å; Q43-L88 HydrophobicContact CB-CB 3.95Å; Q43-L88 HydrophobicContact CB-CD1 4.23Å; Q43-L88 HydrophobicContact CG-CB 4.29Å; Q43-L88 HydrophobicContact CG-CD1 4.48Å; A44-L88 PolarHBondContact N-O 3.1Å; A44-L88 WeakPolarHBondContact O-CA 3.17Å; T45-L88 HydrophobicContact CG2-CD2 3.95Å; E66-L88 HydrophobicContact CB-CD2 3.78Å; E66-L88 HydrophobicContact CG-CD2 3.77Å; E66-L88 HydrophobicContact CG-CG 4.29Å
89	T	97.2	Very high	98.2	Very high	60 Å²	60	40.7 Å²	40.7	37%	0.368	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-4.1	-176	64.2	0	0	0	0	114.2	R38 S39 Q43 N87	R38-T89 WeakPolarHBondContact CA-O 3.48Å; S39-T89 PolarHBondContact N-O 2.8Å; S39-T89 VanDerWaalsContact N-O 3.17Å; S39-T89 WeakPolarHBondContact OG-CA 3.36Å; Q43-T89 HydrophobicContact CG-CG2 4.47Å; N87-T89 PolarHBondContact O-N 3.33Å; N87-T89 PolarHBondContact OD1-N 2.77Å; N87-T89 PolarHBondContact OD1-OG1 2.79Å
90	F	98.1	Very high	98.2	Very high	25 Å²	25	38.8 Å²	38.8	11%	0.11	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	128.4	-170.3	179.1	-100	0	0	0	112.1	E36 C37 R38 H85 P86 N87 A92	E36-F90 HydrophobicContact CB-CE2 3.88Å; E36-F90 HydrophobicContact CB-CZ 4.46Å; E36-F90 HydrophobicContact CG-CE2 3.78Å; E36-F90 HydrophobicContact CG-CZ 3.98Å; C37-F90 WeakPolarHBondContact O-CA 3.48Å; R38-F90 HydrophobicContact CG-CD2 3.76Å; R38-F90 HydrophobicContact CG-CE2 4.47Å; R38-F90 VanDerWaalsContact NH2-CE2 3.29Å; H85-F90 PolarHBondContact CD2-O 2.84Å; P86-F90 WeakPolarHBondContact CD-O 3.47Å; P86-F90 HydrophobicContact CG-CD1 3.71Å; P86-F90 HydrophobicContact CG-CE1 4.38Å; N87-F90 PolarHBondContact O-N 3.33Å; N87-F90 PolarHBondContact OD1-N 3.07Å; F90-A92 HydrophobicContact CE1-CB 4Å; F90-A92 HydrophobicContact CZ-CB 3.77Å
91	S	98.5	Very high	98.1	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	147.8	166.2	-171	0	0	0	0	109.5	C37 W49 N84	C37-S91 WeakPolarHBondContact CA-O 3.1Å; C37-S91 WeakPolarHBondContact CB-O 3.5Å; C37-S91 PolarHBondContact N-O 3.48Å; C37-S91 PolarHBondContact O-N 3.49Å; C37-S91 VanDerWaalsContact O-O 3.05Å; W49-S91 PolarHBondContact NE1-OG 3.17Å; N84-S91 CarbonylContact O-C 3.23Å; N84-S91 VanDerWaalsContact O-CA 3.3Å; N84-S91 WeakPolarHBondContact O-CA 3.36Å
92	A	98.7	Very high	98	Very high	4 Å²	4	43 Å²	43	3%	0.033	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	134.5	174.4	0	0	0	0	0	110.9	I35 I83 N84 F90	I35-A92 CarbonylContact O-C 3.51Å; I35-A92 WeakPolarHBondContact O-CA 3.37Å; I83-A92 CarbonylContact C-O 3.47Å; I83-A92 VanDerWaalsContact CA-O 3.27Å; I83-A92 WeakPolarHBondContact CA-O 3.35Å; N84-A92 PolarHBondContact N-O 2.73Å; N84-A92 PolarHBondContact O-N 2.89Å; F90-A92 HydrophobicContact CE1-CB 4Å; F90-A92 HydrophobicContact CZ-CB 3.77Å
93	L	98.8	Very high	97.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.3	171.3	173.7	130.7	0	0	0	108.7	I35 W49 M61 F81 I83 V95 Y106	I35-L93 HydrophobicContact CD1-CD2 4Å; I35-L93 PolarHBondContact N-O 2.83Å; I35-L93 PolarHBondContact O-N 2.78Å; W49-L93 HydrophobicContact CB-CD1 4.02Å; W49-L93 HydrophobicContact CD2-CB 3.55Å; W49-L93 HydrophobicContact CD2-CD1 4.08Å; W49-L93 HydrophobicContact CD2-CG 4.39Å; W49-L93 HydrophobicContact CE3-CB 3.64Å; W49-L93 HydrophobicContact CE3-CD1 4.22Å; W49-L93 HydrophobicContact CE3-CG 4.34Å; W49-L93 HydrophobicContact CG-CB 4.18Å; W49-L93 HydrophobicContact CG-CD1 4Å; W49-L93 HydrophobicContact CH2-CB 3.87Å; W49-L93 HydrophobicContact CZ2-CB 3.79Å; W49-L93 HydrophobicContact CZ3-CB 3.8Å; M61-L93 HydrophobicContact CE-CD1 4.15Å; M61-L93 HydrophobicContact SD-CD1 4.08Å; F81-L93 HydrophobicContact CB-CD1 4.25Å; I83-L93 HydrophobicContact CD1-CD1 4.12Å; I83-L93 HydrophobicContact CG1-CB 4.19Å; I83-L93 HydrophobicContact CG1-CD1 3.93Å; I83-L93 HydrophobicContact CG1-CG 4.4Å; L93-V95 HydrophobicContact CD2-CG2 3.96Å; L93-Y106 HydrophobicContact CD2-CD1 3.6Å; L93-Y106 HydrophobicContact CD2-CE1 4.1Å; L93-Y106 HydrophobicContact CD2-CG 4.1Å
94	T	98.8	Very high	97.9	Very high	35 Å²	35	45 Å²	45	22%	0.215	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	126.7	171.5	-65.3	0	0	0	0	110	V33 N34 F81 P82 T96	V33-T94 CarbonylContact O-C 3.56Å; V33-T94 VanDerWaalsContact O-CA 3.27Å; V33-T94 WeakPolarHBondContact O-CA 3.26Å; N34-T94 PolarHBondContact OD1-OG1 2.88Å; F81-T94 VanDerWaalsContact CA-O 3.3Å; F81-T94 WeakPolarHBondContact CA-O 3.43Å; P82-T94 VanDerWaalsContact CD-O 3.28Å; P82-T94 WeakPolarHBondContact CD-O 3.23Å; P82-T94 PolarHBondContact O-N 3.04Å; T94-T96 HydrophobicContact CG2-CG2 3.9Å; T94-T96 PolarHBondContact O-N 3.15Å
95	V	98.7	Very high	97.9	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.03	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	102.8	164	-177.7	0	0	0	0	107.1	S32 V33 I35 F81 L93 A98 D102 Y106	S32-V95 CarbonylContact C-O 3.48Å; S32-V95 VanDerWaalsContact CA-O 3.3Å; S32-V95 WeakPolarHBondContact CA-O 3.16Å; V33-V95 HydrophobicContact CB-CB 4.47Å; V33-V95 PolarHBondContact N-O 3.06Å; V33-V95 PolarHBondContact O-N 3.28Å; I35-V95 HydrophobicContact CD1-CG2 4.46Å; F81-V95 HydrophobicContact CD1-CG2 4.24Å; F81-V95 HydrophobicContact CE1-CG1 4.1Å; F81-V95 HydrophobicContact CE1-CG2 4.22Å; L93-V95 HydrophobicContact CD2-CG2 3.96Å; V95-A98 HydrophobicContact CG1-CB 4.02Å; V95-D102 HydrophobicContact CG1-CB 3.94Å; V95-Y106 HydrophobicContact CG2-CD1 4.43Å; V95-Y106 HydrophobicContact CG2-CD2 4.29Å; V95-Y106 HydrophobicContact CG2-CE1 3.91Å; V95-Y106 HydrophobicContact CG2-CE2 3.76Å
96	T	98.7	Very high	97.9	Very high	36 Å²	36	47.1 Å²	47.1	22%	0.221	27%	0.265	C	S	.	.			trans	-78.2	138.4	-176.7	61.2	0	0	0	0	110.7	D79 K80 P82 T94 A98	D79-T96 WeakPolarHBondContact O-CG2 3.47Å; D79-T96 PolarHBondContact O-OG1 2.85Å; K80-T96 VanDerWaalsContact CA-OG1 3.27Å; K80-T96 WeakPolarHBondContact CA-OG1 3.44Å; K80-T96 WeakPolarHBondContact CD-O 3.22Å; K80-T96 WeakPolarHBondContact CE-O 3.2Å; K80-T96 PolarHBondContact NZ-O 2.95Å; K80-T96 PolarHBondContact O-N 2.82Å; K80-T96 PolarHBondContact O-OG1 2.83Å; P82-T96 HydrophobicContact CG-CG2 3.67Å; T94-T96 HydrophobicContact CG2-CG2 3.9Å; T94-T96 PolarHBondContact O-N 3.15Å; T96-A98 PolarHBondContact O-N 3.38Å
97	S	98.3	Very high	98	Very high	52 Å²	52	46.7 Å²	46.7	36%	0.364	26%	0.258	S	S	.	.	S	Bend	trans	43.5	64	177.6	-169.3	0	0	0	0	112.2	S32 K80 H99	S32-S97 PolarHBondContact OG-N 2.85Å; S32-S97 VanDerWaalsContact OG-N 3.15Å; K80-S97 PolarHBondContact NZ-O 2.83Å; S97-H99 PolarHBondContact O-CE1 2.83Å; S97-H99 VanDerWaalsContact O-CE1 3.3Å; S97-H99 PolarHBondContact O-ND1 3.45Å; S97-H99 PolarHBondContact OG-CE1 3.21Å
98	A	98.4	Very high	98.1	Very high	10 Å²	10	43.8 Å²	43.8	8%	0.083	24%	0.243	C	C	.	.			trans	-64	135.9	-171.4	0	0	0	0	0	111.7	S29 G30 T31 V95 T96 D102	S29-A98 CarbonylContact C-O 3.58Å; S29-A98 VanDerWaalsContact CA-O 3.25Å; S29-A98 WeakPolarHBondContact CA-O 3.31Å; G30-A98 PolarHBondContact N-O 3.37Å; T31-A98 WeakPolarHBondContact O-CB 3.49Å; T31-A98 PolarHBondContact O-N 2.99Å; V95-A98 HydrophobicContact CG1-CB 4.02Å; T96-A98 PolarHBondContact O-N 3.38Å; A98-D102 WeakPolarHBondContact CA-OD2 3.37Å
99	H	98	Very high	98	Very high	75 Å²	75	43.5 Å²	43.5	35%	0.347	24%	0.244	S	C	.	.			trans	-124.7	166.7	175.5	-70	76	0	0	0	109.8	S29 S97 E101 D102	S29-H99 PolarHBondContact OG-CD2 2.86Å; S29-H99 VanDerWaalsContact OG-CD2 3.24Å; S97-H99 PolarHBondContact O-CE1 2.83Å; S97-H99 VanDerWaalsContact O-CE1 3.3Å; S97-H99 PolarHBondContact O-ND1 3.45Å; S97-H99 PolarHBondContact OG-CE1 3.21Å; H99-E101 HydrophobicContact CB-CG 4.32Å; H99-E101 VanDerWaalsContact CB-OE1 3.26Å; H99-E101 WeakPolarHBondContact CB-OE1 3.36Å; H99-E101 WeakPolarHBondContact CB-OE2 3.44Å; H99-E101 IonicContact CG-OE1 3.8Å; H99-E101 PolarHBondContact O-N 3.27Å; H99-E101 VanDerWaalsContact O-N 3.11Å; H99-D102 PolarHBondContact N-OD2 3.23Å; H99-D102 WeakPolarHBondContact O-CA 3.3Å; H99-D102 VanDerWaalsContact O-CB 3.31Å; H99-D102 WeakPolarHBondContact O-CB 3.44Å; H99-D102 PolarHBondContact O-N 3.25Å
100	P	97.1	Very high	98	Very high	98 Å²	98	41.7 Å²	41.7	64%	0.636	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-52.4	-34.6	-178.2	-30.1	37.9	0	0	0	114.8	D102 S103	P100-D102 PolarHBondContact O-N 3.32Å; P100-S103 WeakPolarHBondContact O-CB 3.33Å; P100-S103 PolarHBondContact O-N 2.8Å; P100-S103 PolarHBondContact O-OG 3.42Å
101	E	96.2	Very high	97.8	Very high	127 Å²	127	50.6 Å²	50.6	59%	0.593	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-65.8	-16.9	174.9	64.7	-89.6	-155	0	0	114.4	R51 H99 S103	R51-E101 PolarHBondContact NH2-O 2.85Å; H99-E101 HydrophobicContact CB-CG 4.32Å; H99-E101 VanDerWaalsContact CB-OE1 3.26Å; H99-E101 WeakPolarHBondContact CB-OE1 3.36Å; H99-E101 WeakPolarHBondContact CB-OE2 3.44Å; H99-E101 IonicContact CG-OE1 3.8Å; H99-E101 PolarHBondContact O-N 3.27Å; H99-E101 VanDerWaalsContact O-N 3.11Å; E101-S103 VanDerWaalsContact C-N 3.27Å
102	D	97.4	Very high	97.8	Very high	14 Å²	14	53.1 Å²	53.1	8%	0.075	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-82	-9	173.5	-59.2	-53.6	0	0	0	112.3	R51 K80 V95 A98 H99 P100 S104 Y106	R51-D102 VanDerWaalsContact NH2-CA 3.26Å; R51-D102 PolarHBondContact NH2-O 2.93Å; K80-D102 WeakPolarHBondContact CE-OD1 3.27Å; K80-D102 WeakPolarHBondContact CE-OD2 3.45Å; K80-D102 IonicContact NZ-OD1 3.33Å; K80-D102 IonicContact NZ-OD2 2.79Å; K80-D102 PolarHBondContact NZ-OD2 2.93Å; V95-D102 HydrophobicContact CG1-CB 3.94Å; A98-D102 WeakPolarHBondContact CA-OD2 3.37Å; H99-D102 PolarHBondContact N-OD2 3.23Å; H99-D102 WeakPolarHBondContact O-CA 3.3Å; H99-D102 VanDerWaalsContact O-CB 3.31Å; H99-D102 WeakPolarHBondContact O-CB 3.44Å; H99-D102 PolarHBondContact O-N 3.25Å; P100-D102 PolarHBondContact O-N 3.32Å; D102-S104 PolarHBondContact O-N 3.18Å; D102-S104 PolarHBondContact O-OG 2.91Å; D102-S104 VanDerWaalsContact O-OG 3.09Å; D102-Y106 WeakPolarHBondContact O-CE2 3.3Å; D102-Y106 PolarHBondContact O-OH 2.76Å
103	S	97.3	Very high	97.7	Very high	78 Å²	78	55.7 Å²	55.7	55%	0.545	30%	0.295	S	S	.	.			trans	-64	102.7	-178.7	-58.2	0	0	0	0	111.7	P100 E101	P100-S103 WeakPolarHBondContact O-CB 3.33Å; P100-S103 PolarHBondContact O-N 2.8Å; P100-S103 PolarHBondContact O-OG 3.42Å; E101-S103 VanDerWaalsContact C-N 3.27Å
104	S	97.7	Very high	97.7	Very high	28 Å²	28	58.8 Å²	58.8	20%	0.196	31%	0.311	C	S	.	.	S	Bend	trans	-154.9	170.7	-179	49.9	0	0	0	0	111.7	R51 Q52 D102 Y106	R51-S104 WeakPolarHBondContact CG-OG 3.37Å; R51-S104 PolarHBondContact NE-OG 3.19Å; R51-S104 PolarHBondContact NH2-OG 3.11Å; Q52-S104 VanDerWaalsContact O-CB 3.28Å; Q52-S104 WeakPolarHBondContact O-CB 3.36Å; D102-S104 PolarHBondContact O-N 3.18Å; D102-S104 PolarHBondContact O-OG 2.91Å; D102-S104 VanDerWaalsContact O-OG 3.09Å; S104-Y106 WeakPolarHBondContact OG-CE2 3.11Å; S104-Y106 PolarHBondContact OG-OH 2.9Å
105	F	98.2	Very high	97.6	Very high	133 Å²	133	60.2 Å²	60.2	58%	0.583	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	130.3	161.6	-59.6	-80.8	0	0	0	109.1	R51 Q52 I107	R51-F105 CarbonylContact C-O 3.46Å; R51-F105 WeakPolarHBondContact CA-O 3.4Å; Q52-F105 HydrophobicContact CB-CB 4.21Å; Q52-F105 PolarHBondContact N-O 2.9Å; Q52-F105 PolarHBondContact O-N 2.92Å; F105-I107 HydrophobicContact CB-CD1 4.4Å; F105-I107 HydrophobicContact CB-CG1 4.34Å
106	Y	98.5	Very high	97.5	Very high	30 Å²	30	63.6 Å²	63.6	12%	0.118	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.9	169.6	-66.4	-87.1	0	0	0	106.7	I35 Y50 R51 M61 F81 L93 V95 D102 S104	I35-Y106 HydrophobicContact CD1-CD2 3.91Å; I35-Y106 HydrophobicContact CD1-CG 3.81Å; Y50-Y106 WeakPolarHBondContact O-CA 3.31Å; R51-Y106 HydrophobicContact CG-CD1 4.37Å; R51-Y106 HydrophobicContact CG-CE1 4.05Å; R51-Y106 PolarHBondContact NE-OH 3.35Å; M61-Y106 HydrophobicContact CE-CE1 4.21Å; M61-Y106 HydrophobicContact SD-CD1 3.97Å; M61-Y106 HydrophobicContact SD-CE1 4.07Å; F81-Y106 HydrophobicContact CD1-CE1 4.14Å; F81-Y106 AromaticContact CE1-CE1 3.85Å; F81-Y106 HydrophobicContact CE1-CE1 3.85Å; F81-Y106 AromaticContact CE1-CZ 3.98Å; F81-Y106 VanDerWaalsContact CE1-OH 3.31Å; F81-Y106 WeakPolarHBondContact CE1-OH 3.45Å; L93-Y106 HydrophobicContact CD2-CD1 3.6Å; L93-Y106 HydrophobicContact CD2-CE1 4.1Å; L93-Y106 HydrophobicContact CD2-CG 4.1Å; V95-Y106 HydrophobicContact CG2-CD1 4.43Å; V95-Y106 HydrophobicContact CG2-CD2 4.29Å; V95-Y106 HydrophobicContact CG2-CE1 3.91Å; V95-Y106 HydrophobicContact CG2-CE2 3.76Å; D102-Y106 WeakPolarHBondContact O-CE2 3.3Å; D102-Y106 PolarHBondContact O-OH 2.76Å; S104-Y106 WeakPolarHBondContact OG-CE2 3.11Å; S104-Y106 PolarHBondContact OG-OH 2.9Å
107	I	98.4	Very high	97.5	Very high	60 Å²	60	65.5 Å²	65.5	31%	0.308	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.6	-170.8	-55.3	177.8	0	0	0	107.8	Y50 L58 F105	Y50-I107 WeakPolarHBondContact CD2-O 3.36Å; Y50-I107 PolarHBondContact N-O 2.88Å; Y50-I107 PolarHBondContact O-N 3.18Å; L58-I107 HydrophobicContact CD1-CD1 3.87Å; F105-I107 HydrophobicContact CB-CD1 4.4Å; F105-I107 HydrophobicContact CB-CG1 4.34Å
108	C	98.5	Very high	97.4	Very high	5 Å²	5	66.4 Å²	66.4	3%	0.034	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	159.3	169.9	77.8	0	0	0	0	113.1	Q20 C37 F48 W49	Q20-C108 HydrophobicContact CG-CB 4.42Å; Q20-C108 WeakPolarHBondContact CG-SG 3.44Å; Q20-C108 PolarHBondContact NE2-O 3.09Å; Q20-C108 PolarHBondContact NE2-SG 3.48Å; Q20-C108 VanDerWaalsContact NE2-SG 3.39Å; C37-C108 HydrophobicContact CB-CB 3.47Å; C37-C108 VanDerWaalsContact CB-CB 3.47Å; C37-C108 WeakPolarHBondContact CB-SG 3.26Å; C37-C108 WeakPolarHBondContact SG-CB 3.09Å; C37-C108 CovalentContact SG-SG 2.01Å; C37-C108 PolarHBondContact SG-SG 2.83Å; F48-C108 CarbonylContact O-C 3.56Å; F48-C108 WeakPolarHBondContact O-CA 3.47Å; W49-C108 HydrophobicContact CD2-CB 4.12Å; W49-C108 HydrophobicContact CE3-CB 3.92Å; W49-C108 HydrophobicContact CH2-CB 3.92Å; W49-C108 HydrophobicContact CZ2-CB 4.09Å; W49-C108 HydrophobicContact CZ3-CB 3.82Å
109	S	97.6	Very high	97.3	Very high	38 Å²	38	70.8 Å²	70.8	27%	0.266	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	165.3	161.6	79.9	0	0	0	0	110.2	F48 Y50	F48-S109 WeakPolarHBondContact CD2-OG 3.4Å; F48-S109 PolarHBondContact N-O 3.39Å; F48-S109 PolarHBondContact O-N 2.73Å; Y50-S109 WeakPolarHBondContact CE2-OG 3.39Å
110	A	96.9	Very high	97.3	Very high	23 Å²	23	70.4 Å²	70.4	19%	0.19	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	147.9	-175	0	0	0	0	0	111.5	V18 F42 A44 T46 M47	V18-A110 HydrophobicContact CG1-CB 3.64Å; F42-A110 HydrophobicContact CE2-CB 4.07Å; F42-A110 HydrophobicContact CZ-CB 3.91Å; A44-A110 HydrophobicContact CB-CB 3.51Å; T46-A110 CarbonylContact O-C 3.49Å; T46-A110 WeakPolarHBondContact O-CA 3.45Å; M47-A110 HydrophobicContact CE-CB 3.91Å; M47-A110 HydrophobicContact SD-CB 3.44Å; M47-A110 WeakPolarHBondContact SD-CB 3.21Å
111	R	93.5	Very high	97.3	Very high	211 Å²	211	67.9 Å²	67.9	80%	0.796	34%	0.337	S	S	*	.			trans	-136.4	0	178.1	175.8	179	170.5	150.1	-0.2	111.4	A44 T45 T46 F48	A44-R111 CarbonylContact C-O 3.48Å; A44-R111 VanDerWaalsContact CA-O 3.26Å; A44-R111 WeakPolarHBondContact CA-O 3.24Å; A44-R111 WeakPolarHBondContact CB-O 3.37Å; T45-R111 PolarHBondContact N-O 3.17Å; T46-R111 PolarHBondContact N-O 3.14Å; T46-R111 PolarHBondContact O-N 2.91Å; F48-R111 HydrophobicContact CE2-CB 4Å

Retrieved 111 of 111 residues in 58.1 ms (Link to these results)

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