A0A075B6C4_MOUSE Loading...

T cell receptor alpha variable 21-DV12

AlphaFold DB , UniProt , Accession A0A075B6C4, Species MOUSE (Mus musculus, Mouse), Gene Trav21-dv12, Length 109 aa.

						>A0A075B6C4_MOUSE|A0A075B6C4|Trav21-dv12
MGCVSGIAILLALGIAGDAKTTQPDSMESTEGETVHLPCSHATISGNEYIYWYRQVPLQGPEYVTHGLQQNTTNSMAFLAIASDRKSSTLILPHVSLRDAAVYHCILRV
					

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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	45.2	Very low	58.8	Low	252 Å²	252	132.2 Å²	132.2	100%	1.241	82%	0.815	S	S	*	*				0	125.2	0	-77.1	155.8	73.8	0	0	107.8
2	G	51.6	Low	58.2	Low	70 Å²	70	129.8 Å²	129.8	72%	0.722	82%	0.818	S	S	*	*			trans	164.1	66.2	177.3	0	0	0	0	0	111.3	V4	G2-V4 PolarHBondContact O-N 3.08Å; G2-V4 VanDerWaalsContact O-N 3.08Å
3	C	65.3	Low	57.7	Low	136 Å²	136	132 Å²	132	92%	0.919	82%	0.819	S	S	*	*			trans	-68.8	99.7	162.9	-67.6	0	0	0	0	106.5	S5	C3-S5 PolarHBondContact O-N 3.07Å; C3-S5 VanDerWaalsContact O-N 3.07Å
4	V	58.4	Low	56.9	Low	142 Å²	142	127.5 Å²	127.5	86%	0.861	81%	0.811	S	S	*	*			trans	-72	108.3	173.5	-177.9	0	0	0	0	106.8	G2 G6	G2-V4 PolarHBondContact O-N 3.08Å; G2-V4 VanDerWaalsContact O-N 3.08Å; V4-G6 PolarHBondContact O-N 3.32Å
5	S	64.6	Low	56.4	Low	105 Å²	105	130.9 Å²	130.9	73%	0.734	82%	0.818	S	S	*	*			trans	-51.4	117	178.6	-177.3	0	0	0	0	110	C3 I7	C3-S5 PolarHBondContact O-N 3.07Å; C3-S5 VanDerWaalsContact O-N 3.07Å; S5-I7 PolarHBondContact O-N 3.25Å
6	G	65.5	Low	56.1	Low	67 Å²	67	128.8 Å²	128.8	69%	0.691	82%	0.817	S	S	*	*			trans	-63.5	123.6	175.2	0	0	0	0	0	109.9	V4 A8	V4-G6 PolarHBondContact O-N 3.32Å; G6-A8 PolarHBondContact O-N 2.97Å; G6-A8 VanDerWaalsContact O-N 3.1Å
7	I	67.2	Low	55.2	Low	155 Å²	155	125.5 Å²	125.5	80%	0.795	81%	0.813	S	S	*	*			trans	-69.7	106.1	175.4	-60.2	173.7	0	0	0	107.5	S5 I9	S5-I7 PolarHBondContact O-N 3.25Å; I7-I9 HydrophobicContact CG2-CD1 4.49Å; I7-I9 HydrophobicContact CG2-CG1 3.85Å; I7-I9 PolarHBondContact O-N 3.11Å
8	A	61.9	Low	55.1	Low	84 Å²	84	126.8 Å²	126.8	69%	0.694	81%	0.812	S	S	*	*			trans	-85.4	105.1	170	0	0	0	0	0	108.7	G6 L10	G6-A8 PolarHBondContact O-N 2.97Å; G6-A8 VanDerWaalsContact O-N 3.1Å; A8-L10 PolarHBondContact O-N 3.39Å
9	I	60.9	Low	55.7	Low	135 Å²	135	125.2 Å²	125.2	69%	0.692	81%	0.811	S	S	*	*			trans	-87.1	103.6	172	-55.7	-179.8	0	0	0	107.4	I7 L11	I7-I9 HydrophobicContact CG2-CD1 4.49Å; I7-I9 HydrophobicContact CG2-CG1 3.85Å; I7-I9 PolarHBondContact O-N 3.11Å; I9-L11 HydrophobicContact CG2-CD1 4.49Å; I9-L11 HydrophobicContact CG2-CD2 4.43Å; I9-L11 HydrophobicContact CG2-CG 4.03Å
10	L	49.5	Very low	57.3	Low	162 Å²	162	121.5 Å²	121.5	85%	0.848	78%	0.782	S	S	*	*			trans	-90	103.7	170.8	-87.1	138.9	0	0	0	109	A8	A8-L10 PolarHBondContact O-N 3.39Å
11	L	56.7	Low	59.1	Low	146 Å²	146	117.2 Å²	117.2	76%	0.764	75%	0.754	S	S	*	*			trans	-92	100.9	169.3	-68.9	166	0	0	0	108.3	I9	I9-L11 HydrophobicContact CG2-CD1 4.49Å; I9-L11 HydrophobicContact CG2-CD2 4.43Å; I9-L11 HydrophobicContact CG2-CG 4.03Å
12	A	51.8	Low	61.5	Low	103 Å²	103	109.6 Å²	109.6	85%	0.851	72%	0.722	S	S	*	*			trans	-92.6	110.5	165.6	0	0	0	0	0	108.3
13	L	51.9	Low	63.6	Low	159 Å²	159	109 Å²	109	83%	0.832	70%	0.7	S	S	*	*			trans	-111.1	123.3	170.3	-87.5	144.2	0	0	0	107.9
14	G	46.5	Very low	65	Low	69 Å²	69	105.7 Å²	105.7	71%	0.711	68%	0.677	S	S	*	*			trans	-62.2	154.3	-170.1	0	0	0	0	0	113.8	A16	G14-A16 VanDerWaalsContact C-N 3.32Å; G14-A16 PolarHBondContact O-N 3.47Å
15	I	49.1	Very low	66.7	Low	178 Å²	178	107.3 Å²	107.3	91%	0.913	68%	0.681	S	S	*	*			trans	-57.3	92.8	167.8	48.9	169.5	0	0	0	109.4	G17	I15-G17 PolarHBondContact O-N 3.47Å
16	A	50.7	Low	68.1	Low	97 Å²	97	107.2 Å²	107.2	80%	0.802	68%	0.68	S	S	*	*			trans	-63.9	126.6	169.4	0	0	0	0	0	107.7	G14	G14-A16 VanDerWaalsContact C-N 3.32Å; G14-A16 PolarHBondContact O-N 3.47Å
17	G	41.4	Very low	69.5	Low	73 Å²	73	108.5 Å²	108.5	75%	0.753	67%	0.67	S	S	*	*	S	Bend	trans	-63	168.6	-170.7	0	0	0	0	0	114.8	I15	I15-G17 PolarHBondContact O-N 3.47Å
18	D	53.8	Low	70.8	Confident	149 Å²	149	110.4 Å²	110.4	80%	0.797	68%	0.675	S	S	*	*			trans	70.2	76.1	-172.8	-96.2	-19.5	0	0	0	114.5	K20	D18-K20 PolarHBondContact O-N 3.46Å
19	A	66.4	Low	72.3	Confident	96 Å²	96	109 Å²	109	79%	0.793	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	48.8	166.4	0	0	0	0	0	111.4
20	K	87.9	Confident	74	Confident	51 Å²	51	107 Å²	107	22%	0.222	65%	0.654	C	S	.	*	T	Hydrogen-bonded Turn	trans	-69.7	-26.3	170.2	-149.8	178.2	175.4	149.5	0	110.7	D18 H41 T43 E48 L107	D18-K20 PolarHBondContact O-N 3.46Å; K20-H41 WeakPolarHBondContact O-CA 3.46Å; K20-H41 WeakPolarHBondContact O-CB 3.31Å; K20-T43 VanDerWaalsContact CE-C 3.47Å; K20-T43 WeakPolarHBondContact CE-O 3.47Å; K20-T43 VanDerWaalsContact CG-OG1 3.26Å; K20-T43 WeakPolarHBondContact CG-OG1 3.42Å; K20-T43 PolarHBondContact NZ-O 2.74Å; K20-T43 VanDerWaalsContact NZ-O 3.16Å; K20-E48 WeakPolarHBondContact CE-OE2 3.39Å; K20-E48 IonicContact NZ-OE1 2.64Å; K20-E48 PolarHBondContact NZ-OE1 2.77Å; K20-E48 IonicContact NZ-OE2 2.64Å; K20-E48 PolarHBondContact NZ-OE2 3.44Å; K20-L107 HydrophobicContact CD-CB 4.13Å; K20-L107 HydrophobicContact CD-CD1 3.6Å; K20-L107 HydrophobicContact CD-CG 4.34Å; K20-L107 HydrophobicContact CG-CD1 3.84Å
21	T	94.1	Very high	76.3	Confident	32 Å²	32	105 Å²	105	20%	0.196	64%	0.641	C	S	.	*	S	Bend	trans	-116.4	152.2	175.4	54.9	0	0	0	0	110.9	S40 H41 C105 L107	T21-S40 CarbonylContact C-O 3.5Å; T21-S40 WeakPolarHBondContact CA-O 3.44Å; T21-H41 HydrophobicContact CG2-CB 3.94Å; T21-C105 WeakPolarHBondContact CG2-O 3.13Å; T21-C105 PolarHBondContact OG1-O 2.76Å; T21-L107 HydrophobicContact CG2-CG 4Å
22	T	95.6	Very high	78.2	Confident	92 Å²	92	100.2 Å²	100.2	56%	0.564	63%	0.626	S	S	*	*	B	Isolated β-bridge	trans	-135.7	128.2	173.7	-55.3	0	0	0	0	108.3	C39 S40	T22-C39 WeakPolarHBondContact O-CA 3.46Å; T22-S40 PolarHBondContact N-O 2.58Å; T22-S40 PolarHBondContact O-N 3.06Å
23	Q	96.4	Very high	80.3	Confident	57 Å²	57	99.8 Å²	99.8	27%	0.266	61%	0.606	S	S	.	*			trans	-131.5	155.8	-179.6	-64.2	178	-108.5	0	0	109.2	C39 Y103 C105	Q23-C39 HydrophobicContact CG-CB 4.11Å; Q23-Y103 PolarHBondContact NE2-O 3.23Å; Q23-C105 HydrophobicContact CG-CB 4.17Å
24	P	95.4	Very high	82.5	Confident	68 Å²	68	95.4 Å²	95.4	44%	0.442	59%	0.586	S	S	.	*			trans	-60.7	143.9	166.6	-19.3	32.2	0	0	0	111	S26 M27 P38	P24-S26 VanDerWaalsContact C-N 3.3Å; P24-S26 PolarHBondContact O-N 3.45Å; P24-M27 HydrophobicContact CB-CG 4.2Å; P24-M27 HydrophobicContact CG-SD 4.2Å; P24-P38 HydrophobicContact CG-CG 3.68Å
25	D	92.8	Very high	85	Confident	175 Å²	175	93 Å²	93	94%	0.936	56%	0.558	S	S	*	*	S	Bend	trans	-66.3	-32.5	-179	-64.3	-36.4	0	0	0	112.9
26	S	94.6	Very high	87.3	Confident	103 Å²	103	89.2 Å²	89.2	72%	0.72	54%	0.536	S	S	*	.			trans	-154.9	148.2	-179.5	60.6	0	0	0	0	111	P24	P24-S26 VanDerWaalsContact C-N 3.3Å; P24-S26 PolarHBondContact O-N 3.45Å
27	M	94.9	Very high	89.6	Confident	95 Å²	95	85.7 Å²	85.7	47%	0.468	50%	0.504	S	S	.	.			trans	-139	141.7	170.6	-65.2	-172.5	64.3	0	0	109.2	P24 H36 L37	P24-M27 HydrophobicContact CB-CG 4.2Å; P24-M27 HydrophobicContact CG-SD 4.2Å; M27-H36 WeakPolarHBondContact CE-O 3.45Å; M27-L37 HydrophobicContact SD-CD2 3.75Å
28	E	94.4	Very high	92.3	Very high	195 Å²	195	84.7 Å²	84.7	91%	0.911	48%	0.484	S	S	*	.			trans	-117	148.2	176.1	-62.7	-172.8	135.4	0	0	109.6
29	S	94.2	Very high	94.4	Very high	54 Å²	54	77.7 Å²	77.7	38%	0.378	45%	0.446	S	S	.	.			trans	-156.5	161.6	176.8	-176.7	0	0	0	0	110.1	E33 V35	S29-E33 WeakPolarHBondContact OG-CB 3.18Å; S29-E33 PolarHBondContact OG-OE2 2.79Å; S29-V35 VanDerWaalsContact OG-CG2 3.25Å; S29-V35 WeakPolarHBondContact OG-CG2 3.36Å
30	T	96.1	Very high	95.8	Very high	92 Å²	92	76.2 Å²	76.2	56%	0.564	43%	0.43	S	S	*	.			trans	-93.7	150.4	179.6	-47.6	0	0	0	0	110.7	G32 E33	T30-G32 PolarHBondContact O-N 2.87Å; T30-E33 WeakPolarHBondContact CB-OE2 3.5Å; T30-E33 PolarHBondContact N-OE2 3.37Å; T30-E33 WeakPolarHBondContact O-CB 3.43Å; T30-E33 WeakPolarHBondContact O-CG 3.49Å; T30-E33 PolarHBondContact O-N 3.19Å; T30-E33 VanDerWaalsContact O-N 3.17Å
31	E	96.6	Very high	96.1	Very high	122 Å²	122	73.8 Å²	73.8	57%	0.57	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	138.8	174.8	-66.5	-162.8	129.3	0	0	112	E33 V95 L97	E31-E33 VanDerWaalsContact C-N 3.28Å; E31-E33 PolarHBondContact O-N 2.89Å; E31-V95 CarbonylContact C-O 3.47Å; E31-V95 WeakPolarHBondContact CA-O 3.3Å; E31-L97 HydrophobicContact CG-CG 4.45Å; E31-L97 VanDerWaalsContact OE1-CG 3.31Å; E31-L97 WeakPolarHBondContact OE1-CG 3.3Å; E31-L97 PolarHBondContact OE1-N 2.73Å
32	G	96.8	Very high	95.7	Very high	44 Å²	44	75.9 Å²	75.9	45%	0.454	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	-10.9	-178.2	0	0	0	0	0	114.7	T30 V95	T30-G32 PolarHBondContact O-N 2.87Å; G32-V95 PolarHBondContact N-O 2.86Å
33	E	97.6	Very high	95.4	Very high	94 Å²	94	76.1 Å²	76.1	44%	0.439	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-75.4	165.2	177.5	-66	-170.9	134.8	0	0	112.6	S29 T30 E31 H94 V95	S29-E33 WeakPolarHBondContact OG-CB 3.18Å; S29-E33 PolarHBondContact OG-OE2 2.79Å; T30-E33 WeakPolarHBondContact CB-OE2 3.5Å; T30-E33 PolarHBondContact N-OE2 3.37Å; T30-E33 WeakPolarHBondContact O-CB 3.43Å; T30-E33 WeakPolarHBondContact O-CG 3.49Å; T30-E33 PolarHBondContact O-N 3.19Å; T30-E33 VanDerWaalsContact O-N 3.17Å; E31-E33 VanDerWaalsContact C-N 3.28Å; E31-E33 PolarHBondContact O-N 2.89Å; E33-H94 CarbonylContact O-C 3.6Å; E33-H94 WeakPolarHBondContact O-CA 3.45Å; E33-H94 PolarHBondContact O-N 2.86Å; E33-H94 VanDerWaalsContact O-N 3.11Å; E33-V95 PolarHBondContact O-N 2.85Å
34	T	97.9	Very high	95.3	Very high	68 Å²	68	74.8 Å²	74.8	42%	0.417	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-98.2	123.5	169.3	-61.5	0	0	0	0	109.3	I91 L92	T34-I91 HydrophobicContact CG2-CG2 3.47Å; T34-I91 VanDerWaalsContact CG2-CG2 3.47Å; T34-L92 WeakPolarHBondContact CA-O 3.49Å
35	V	97.6	Very high	95.1	Very high	18 Å²	18	73.5 Å²	73.5	11%	0.109	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	135.7	-179.9	179.1	0	0	0	0	110.2	S29 L37 I91 L92 V95	S29-V35 VanDerWaalsContact OG-CG2 3.25Å; S29-V35 WeakPolarHBondContact OG-CG2 3.36Å; V35-L37 HydrophobicContact CG1-CD2 3.73Å; V35-L37 HydrophobicContact CG1-CG 4Å; V35-I91 VanDerWaalsContact O-CA 3.32Å; V35-I91 WeakPolarHBondContact O-CA 3.43Å; V35-L92 PolarHBondContact N-O 3.25Å; V35-L92 PolarHBondContact O-N 2.89Å; V35-V95 HydrophobicContact CB-CG1 4Å; V35-V95 HydrophobicContact CG2-CB 4.3Å; V35-V95 HydrophobicContact CG2-CG1 3.6Å; V35-V95 HydrophobicContact CG2-CG2 3.78Å
36	H	98.4	Very high	95	Very high	99 Å²	99	68.3 Å²	68.3	46%	0.458	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	105.4	177.2	-67.3	-116.4	0	0	0	108.8	M27 P38 T89	M27-H36 WeakPolarHBondContact CE-O 3.45Å; H36-P38 VanDerWaalsContact O-CD 3.24Å; H36-P38 WeakPolarHBondContact O-CD 3.34Å; H36-T89 HydrophobicContact CB-CG2 3.82Å
37	L	98.2	Very high	95	Very high	23 Å²	23	67.5 Å²	67.5	12%	0.12	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	104.5	179.9	-59.5	172.4	0	0	0	109.3	M27 V35 W52 T89 L90 L92 Y103	M27-L37 HydrophobicContact SD-CD2 3.75Å; V35-L37 HydrophobicContact CG1-CD2 3.73Å; V35-L37 HydrophobicContact CG1-CG 4Å; L37-W52 HydrophobicContact CB-CH2 3.87Å; L37-W52 HydrophobicContact CB-CZ3 4.15Å; L37-W52 HydrophobicContact CD1-CZ3 4.5Å; L37-W52 WeakPolarHBondContact O-CH2 3.41Å; L37-T89 WeakPolarHBondContact O-CA 3.47Å; L37-L90 HydrophobicContact CB-CB 4.26Å; L37-L90 HydrophobicContact CD1-CD2 4.17Å; L37-L90 PolarHBondContact N-O 2.74Å; L37-L90 PolarHBondContact O-N 3.02Å; L37-L92 HydrophobicContact CD1-CD1 3.87Å; L37-Y103 HydrophobicContact CD1-CD1 4Å; L37-Y103 HydrophobicContact CD1-CD2 3.81Å; L37-Y103 HydrophobicContact CD1-CE2 4.36Å; L37-Y103 HydrophobicContact CD1-CG 3.61Å
38	P	98	Very high	95	Very high	52 Å²	52	64.1 Å²	64.1	34%	0.338	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	147	-178.6	33.1	-33.7	0	0	0	111.2	P24 H36	P24-P38 HydrophobicContact CG-CG 3.68Å; H36-P38 VanDerWaalsContact O-CD 3.24Å; H36-P38 WeakPolarHBondContact O-CD 3.34Å
39	C	97.6	Very high	95.1	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.007	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	122.1	170.9	174.9	0	0	0	0	109.6	T22 Q23 W52 S87 S88 C105	T22-C39 WeakPolarHBondContact O-CA 3.46Å; Q23-C39 HydrophobicContact CG-CB 4.11Å; C39-W52 HydrophobicContact CB-CH2 3.91Å; C39-W52 HydrophobicContact CB-CZ2 3.44Å; C39-W52 VanDerWaalsContact CB-CZ2 3.44Å; C39-S87 CarbonylContact O-C 3.58Å; C39-S87 VanDerWaalsContact O-CA 3.3Å; C39-S87 WeakPolarHBondContact O-CA 3.49Å; C39-S88 PolarHBondContact N-O 3.36Å; C39-S88 PolarHBondContact O-N 2.89Å; C39-S88 VanDerWaalsContact O-O 3.13Å; C39-C105 HydrophobicContact CB-CB 3.52Å; C39-C105 WeakPolarHBondContact CB-SG 3.3Å; C39-C105 WeakPolarHBondContact SG-CB 2.96Å; C39-C105 CovalentContact SG-SG 2.03Å; C39-C105 PolarHBondContact SG-SG 3.46Å
40	S	96.6	Very high	95.2	Very high	65 Å²	65	56.1 Å²	56.1	46%	0.455	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	138.1	175.3	-63.5	0	0	0	0	109.8	T21 T22	T21-S40 CarbonylContact C-O 3.5Å; T21-S40 WeakPolarHBondContact CA-O 3.44Å; T22-S40 PolarHBondContact N-O 2.58Å; T22-S40 PolarHBondContact O-N 3.06Å
41	H	93.3	Very high	95.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	32%	0.322	C	S	.	.			trans	-148	77.7	-179.7	37.2	58.2	0	0	0	112.5	K20 T21 T43 I44 I50 R85 K86 S87 S88 L107	K20-H41 WeakPolarHBondContact O-CA 3.46Å; K20-H41 WeakPolarHBondContact O-CB 3.31Å; T21-H41 HydrophobicContact CG2-CB 3.94Å; H41-T43 PolarHBondContact O-N 3.44Å; H41-T43 VanDerWaalsContact O-N 3.07Å; H41-I44 PolarHBondContact O-N 3.02Å; H41-I50 VanDerWaalsContact CE1-CD1 3.49Å; H41-I50 WeakPolarHBondContact CE1-CD1 3.46Å; H41-R85 PolarHBondContact CE1-O 2.86Å; H41-R85 PolarHBondContact ND1-O 3.1Å; H41-K86 CarbonylContact C-O 3.6Å; H41-K86 PolarHBondContact N-O 2.03Å; H41-K86 PolarHBondContact ND1-O 3.47Å; H41-S87 PolarHBondContact CE1-N 2.75Å; H41-S88 PolarHBondContact NE2-OG 3Å; H41-L107 HydrophobicContact CB-CD1 3.71Å; H41-L107 HydrophobicContact CB-CD2 4.36Å; H41-L107 HydrophobicContact CB-CG 4.24Å
42	A	87	Confident	95.4	Very high	77 Å²	77	48 Å²	48	64%	0.636	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.1	-168.2	0	0	0	0	0	115.3
43	T	89.3	Confident	95.3	Very high	97 Å²	97	47.8 Å²	47.8	60%	0.595	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	23.3	-173.4	55.5	0	0	0	0	113.8	K20 H41	K20-T43 VanDerWaalsContact CE-C 3.47Å; K20-T43 WeakPolarHBondContact CE-O 3.47Å; K20-T43 VanDerWaalsContact CG-OG1 3.26Å; K20-T43 WeakPolarHBondContact CG-OG1 3.42Å; K20-T43 PolarHBondContact NZ-O 2.74Å; K20-T43 VanDerWaalsContact NZ-O 3.16Å; H41-T43 PolarHBondContact O-N 3.44Å; H41-T43 VanDerWaalsContact O-N 3.07Å
44	I	92.8	Very high	95.3	Very high	29 Å²	29	44.5 Å²	44.5	15%	0.149	27%	0.265	C	S	.	.			trans	-59.5	133.4	176.9	-169.3	164.4	0	0	0	112.6	H41 E48 I50 R85 L107	H41-I44 PolarHBondContact O-N 3.02Å; I44-E48 WeakPolarHBondContact CA-OE2 3.33Å; I44-E48 HydrophobicContact CG1-CB 3.99Å; I44-I50 HydrophobicContact CD1-CD1 3.92Å; I44-I50 HydrophobicContact CD1-CG1 3.63Å; I44-R85 HydrophobicContact CD1-CB 4.45Å; I44-R85 HydrophobicContact CG2-CB 4.15Å; I44-R85 WeakPolarHBondContact CG2-O 3.32Å; I44-L107 HydrophobicContact CB-CD1 3.72Å; I44-L107 HydrophobicContact CD1-CD1 4.09Å; I44-L107 HydrophobicContact CD1-CD2 3.75Å; I44-L107 HydrophobicContact CG1-CD1 3.78Å; I44-L107 HydrophobicContact CG1-CD2 4.32Å
45	S	92.8	Very high	95.2	Very high	40 Å²	40	44.7 Å²	44.7	28%	0.28	26%	0.261	S	S	.	.			trans	-88.6	162.3	173.7	72.8	0	0	0	0	111.6	N47 E48 R85	S45-N47 PolarHBondContact O-N 2.79Å; S45-N47 VanDerWaalsContact O-N 3.12Å; S45-N47 PolarHBondContact OG-OD1 3.13Å; S45-E48 PolarHBondContact N-OE2 3.47Å; S45-E48 PolarHBondContact O-N 3.36Å; S45-E48 VanDerWaalsContact OG-CD 3.24Å; S45-E48 WeakPolarHBondContact OG-CG 3.39Å; S45-E48 PolarHBondContact OG-OE2 2.84Å; S45-R85 PolarHBondContact O-NH1 3.32Å
46	G	90.6	Very high	94.9	Very high	66 Å²	66	45 Å²	45	68%	0.68	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.6	-176.7	0	0	0	0	0	115.1	R85	G46-R85 PolarHBondContact O-NH1 2.76Å
47	N	93.6	Very high	94.4	Very high	87 Å²	87	45 Å²	45	47%	0.465	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-3.8	-178.1	63.6	-28.9	0	0	0	114.4	S45 V109	S45-N47 PolarHBondContact O-N 2.79Å; S45-N47 VanDerWaalsContact O-N 3.12Å; S45-N47 PolarHBondContact OG-OD1 3.13Å; N47-V109 VanDerWaalsContact ND2-CG1 3.28Å; N47-V109 WeakPolarHBondContact ND2-CG1 3.39Å
48	E	95.4	Very high	94	Very high	24 Å²	24	52.9 Å²	52.9	11%	0.112	31%	0.313	C	S	.	.			trans	-80.1	127.2	177.9	-84.3	170.9	149.8	0	0	111.6	K20 I44 S45 L68 R85 R108 V109	K20-E48 WeakPolarHBondContact CE-OE2 3.39Å; K20-E48 IonicContact NZ-OE1 2.64Å; K20-E48 PolarHBondContact NZ-OE1 2.77Å; K20-E48 IonicContact NZ-OE2 2.64Å; K20-E48 PolarHBondContact NZ-OE2 3.44Å; I44-E48 WeakPolarHBondContact CA-OE2 3.33Å; I44-E48 HydrophobicContact CG1-CB 3.99Å; S45-E48 PolarHBondContact N-OE2 3.47Å; S45-E48 PolarHBondContact O-N 3.36Å; S45-E48 VanDerWaalsContact OG-CD 3.24Å; S45-E48 WeakPolarHBondContact OG-CG 3.39Å; S45-E48 PolarHBondContact OG-OE2 2.84Å; E48-L68 VanDerWaalsContact O-CD1 3.3Å; E48-L68 WeakPolarHBondContact O-CD1 3.47Å; E48-R85 PolarHBondContact O-NH2 2.92Å; E48-R108 CarbonylContact C-O 3.53Å; E48-R108 WeakPolarHBondContact CA-O 3.36Å; E48-V109 HydrophobicContact CG-CG2 3.62Å
49	Y	96.7	Very high	93.6	Very high	81 Å²	81	55.2 Å²	55.2	32%	0.318	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	147.3	169.6	-70.2	-101.7	0	0	0	111	Y51 H66 L68 L107 R108	Y49-Y51 HydrophobicContact CG-CE2 4.38Å; Y49-Y51 WeakPolarHBondContact O-CD2 3.46Å; Y49-H66 AromaticContact CD1-CD2 3.49Å; Y49-H66 VanDerWaalsContact CD1-CD2 3.49Å; Y49-H66 WeakPolarHBondContact CD1-CD2 3.39Å; Y49-L68 HydrophobicContact CD1-CB 3.79Å; Y49-L68 HydrophobicContact CD1-CD1 4.2Å; Y49-L68 HydrophobicContact CD2-CD1 4.02Å; Y49-L68 HydrophobicContact CE1-CB 3.69Å; Y49-L68 HydrophobicContact CE1-CD1 4.31Å; Y49-L68 HydrophobicContact CE1-CG 4.45Å; Y49-L68 HydrophobicContact CE2-CD1 4.1Å; Y49-L68 HydrophobicContact CG-CB 4.48Å; Y49-L68 HydrophobicContact CG-CD1 4.06Å; Y49-L107 WeakPolarHBondContact O-CA 3.36Å; Y49-R108 PolarHBondContact N-O 3.26Å; Y49-R108 PolarHBondContact O-N 2.94Å; Y49-R108 VanDerWaalsContact O-N 3.08Å
50	I	97.1	Very high	93.3	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	113.1	171.6	-60.9	154.8	0	0	0	107	H41 I44 H66 G67 I81 S88 L107	H41-I50 VanDerWaalsContact CE1-CD1 3.49Å; H41-I50 WeakPolarHBondContact CE1-CD1 3.46Å; I44-I50 HydrophobicContact CD1-CD1 3.92Å; I44-I50 HydrophobicContact CD1-CG1 3.63Å; I50-H66 CarbonylContact O-C 3.37Å; I50-H66 WeakPolarHBondContact O-CA 3.42Å; I50-H66 WeakPolarHBondContact O-CB 3.49Å; I50-G67 PolarHBondContact N-O 3.17Å; I50-G67 PolarHBondContact O-N 3.03Å; I50-I81 HydrophobicContact CD1-CD1 4.09Å; I50-I81 HydrophobicContact CD1-CG1 4.15Å; I50-I81 HydrophobicContact CD1-CG2 3.78Å; I50-S88 WeakPolarHBondContact CG2-OG 3.38Å; I50-L107 HydrophobicContact CB-CD2 4.18Å; I50-L107 HydrophobicContact CG1-CD2 3.57Å
51	Y	96.9	Very high	93.1	Very high	42 Å²	42	58.5 Å²	58.5	17%	0.165	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	141.1	177.4	-70.1	-93.1	0	0	0	111	Y49 Y53 Y63 H66 C105 I106 R108	Y49-Y51 HydrophobicContact CG-CE2 4.38Å; Y49-Y51 WeakPolarHBondContact O-CD2 3.46Å; Y51-Y53 HydrophobicContact CD1-CE2 4.47Å; Y51-Y53 HydrophobicContact CG-CE2 4.28Å; Y51-Y63 HydrophobicContact CD1-CE2 4.18Å; Y51-H66 HydrophobicContact CD1-CB 3.29Å; Y51-H66 AromaticContact CD1-CG 3.92Å; Y51-H66 HydrophobicContact CD2-CB 4.44Å; Y51-H66 HydrophobicContact CE1-CB 3.4Å; Y51-H66 VanDerWaalsContact CE1-CB 3.4Å; Y51-H66 AromaticContact CE1-CD2 3.73Å; Y51-H66 AromaticContact CE1-CG 3.48Å; Y51-H66 VanDerWaalsContact CE1-CG 3.48Å; Y51-H66 HydrophobicContact CG-CB 3.82Å; Y51-H66 AromaticContact CZ-CD2 3.85Å; Y51-C105 WeakPolarHBondContact O-CA 3.13Å; Y51-I106 PolarHBondContact N-O 2.96Å; Y51-I106 PolarHBondContact O-N 2.85Å; Y51-R108 HydrophobicContact CD2-CB 3.98Å; Y51-R108 HydrophobicContact CD2-CG 4.28Å; Y51-R108 HydrophobicContact CE2-CB 3.78Å
52	W	97.9	Very high	93.2	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	130.7	168.6	-78.1	87.6	0	0	0	110.6	L37 C39 V64 T65 L79 L90 H104 C105	L37-W52 HydrophobicContact CB-CH2 3.87Å; L37-W52 HydrophobicContact CB-CZ3 4.15Å; L37-W52 HydrophobicContact CD1-CZ3 4.5Å; L37-W52 WeakPolarHBondContact O-CH2 3.41Å; C39-W52 HydrophobicContact CB-CH2 3.91Å; C39-W52 HydrophobicContact CB-CZ2 3.44Å; C39-W52 VanDerWaalsContact CB-CZ2 3.44Å; W52-V64 HydrophobicContact CB-CB 4.29Å; W52-V64 WeakPolarHBondContact O-CB 3.25Å; W52-V64 PolarHBondContact O-N 2.85Å; W52-T65 HydrophobicContact CB-CG2 4.36Å; W52-T65 PolarHBondContact N-O 2.82Å; W52-T65 PolarHBondContact O-N 2.9Å; W52-L79 VanDerWaalsContact NE1-CD1 3.34Å; W52-L90 HydrophobicContact CB-CD1 4.22Å; W52-L90 HydrophobicContact CB-CD2 4.05Å; W52-L90 HydrophobicContact CD2-CB 3.67Å; W52-L90 HydrophobicContact CD2-CD1 4.47Å; W52-L90 HydrophobicContact CD2-CD2 3.78Å; W52-L90 HydrophobicContact CD2-CG 4.18Å; W52-L90 HydrophobicContact CE3-CB 3.99Å; W52-L90 HydrophobicContact CE3-CD2 3.63Å; W52-L90 HydrophobicContact CE3-CG 4.41Å; W52-L90 HydrophobicContact CG-CB 4.11Å; W52-L90 HydrophobicContact CG-CD1 4.07Å; W52-L90 HydrophobicContact CG-CD2 3.99Å; W52-L90 HydrophobicContact CG-CG 4.3Å; W52-L90 HydrophobicContact CH2-CB 4.09Å; W52-L90 HydrophobicContact CZ2-CB 3.79Å; W52-L90 HydrophobicContact CZ3-CB 4.2Å; W52-L90 HydrophobicContact CZ3-CD2 4.27Å; W52-H104 WeakPolarHBondContact CA-O 3.2Å; W52-C105 HydrophobicContact CD2-CB 4.08Å; W52-C105 HydrophobicContact CE3-CB 4.16Å; W52-C105 HydrophobicContact CH2-CB 3.91Å; W52-C105 HydrophobicContact CZ2-CB 3.79Å; W52-C105 HydrophobicContact CZ3-CB 4.07Å
53	Y	96.8	Very high	93.7	Very high	41 Å²	41	64.5 Å²	64.5	16%	0.161	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	149.6	173.2	-64.5	-91.1	0	0	0	109.9	Y51 P61 E62 Y63 Y103 H104 I106	Y51-Y53 HydrophobicContact CD1-CE2 4.47Å; Y51-Y53 HydrophobicContact CG-CE2 4.28Å; Y53-P61 HydrophobicContact CD1-CB 4.47Å; Y53-E62 CarbonylContact C-O 3.57Å; Y53-E62 WeakPolarHBondContact CA-O 3.38Å; Y53-E62 WeakPolarHBondContact CB-O 3.39Å; Y53-Y63 HydrophobicContact CE1-CD2 4.32Å; Y53-Y103 CarbonylContact O-C 3.55Å; Y53-Y103 WeakPolarHBondContact O-CA 3.5Å; Y53-H104 PolarHBondContact N-O 2.94Å; Y53-H104 PolarHBondContact O-N 3.14Å; Y53-I106 HydrophobicContact CD2-CD1 3.96Å; Y53-I106 HydrophobicContact CE2-CD1 4.24Å
54	R	96.1	Very high	94	Very high	25 Å²	25	60.2 Å²	60.2	9%	0.094	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	133.2	172.8	-179.2	-177.1	-176.1	-138.3	-19.9	108.6	E62 V64 R98 D99 A100 A101 V102 Y103	R54-E62 PolarHBondContact N-O 2.86Å; R54-E62 PolarHBondContact O-N 2.96Å; R54-V64 HydrophobicContact CB-CG2 3.6Å; R54-R98 PolarHBondContact NH1-O 2.82Å; R54-R98 PolarHBondContact NH2-O 3.3Å; R54-D99 PolarHBondContact NH2-O 3.46Å; R54-A100 PolarHBondContact NH2-O 2.83Å; R54-A101 HydrophobicContact CG-CB 3.57Å; R54-A101 VanDerWaalsContact NE-CB 3.33Å; R54-V102 CarbonylContact C-O 3.5Å; R54-Y103 HydrophobicContact CB-CD1 4.11Å; R54-Y103 HydrophobicContact CB-CE1 3.85Å; R54-Y103 HydrophobicContact CG-CD1 4.33Å; R54-Y103 HydrophobicContact CG-CE1 3.82Å; R54-Y103 HydrophobicContact CG-CE2 4.35Å; R54-Y103 PolarHBondContact NE-OH 3.11Å
55	Q	95.6	Very high	94.3	Very high	71 Å²	71	59.1 Å²	59.1	33%	0.332	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	103.6	177.8	-172.6	177.5	6	0	0	109.4	A101 V102 H104	Q55-A101 WeakPolarHBondContact O-CB 3.1Å; Q55-V102 HydrophobicContact CB-CB 4.43Å; Q55-V102 PolarHBondContact N-O 2.91Å; Q55-V102 PolarHBondContact O-N 2.83Å; Q55-H104 PolarHBondContact OE1-NE2 2.82Å
56	V	91.8	Very high	94.5	Very high	26 Å²	26	60.4 Å²	60.4	16%	0.158	33%	0.328	C	S	.	.			trans	-75.7	140.8	171.9	-173.8	0	0	0	0	108.4	L58 Q59 A101	V56-L58 PolarHBondContact O-N 2.89Å; V56-Q59 HydrophobicContact CB-CB 4.14Å; V56-Q59 HydrophobicContact CB-CG 4.22Å; V56-Q59 HydrophobicContact CG1-CG 4.49Å; V56-Q59 VanDerWaalsContact CG1-NE2 3.26Å; V56-Q59 WeakPolarHBondContact O-CB 3.33Å; V56-Q59 PolarHBondContact O-N 3.45Å; V56-A101 HydrophobicContact CG2-CB 4.27Å
57	P	88.3	Confident	94.8	Very high	98 Å²	98	57.5 Å²	57.5	64%	0.636	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	138	176.8	-29	35.8	0	0	0	112.2	Q59	P57-Q59 PolarHBondContact O-N 2.95Å; P57-Q59 VanDerWaalsContact O-N 3.11Å
58	L	89.5	Confident	94.9	Very high	189 Å²	189	55.9 Å²	55.9	99%	0.99	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	5.2	-177.6	-50.2	173.2	0	0	0	115.2	V56	V56-L58 PolarHBondContact O-N 2.89Å
59	Q	89.4	Confident	94.8	Very high	101 Å²	101	59.2 Å²	59.2	47%	0.472	31%	0.305	S	S	.	.	S	Bend	trans	-111	160.4	172.7	-57.2	-172.5	61.6	0	0	110.3	V56 P57	V56-Q59 HydrophobicContact CB-CB 4.14Å; V56-Q59 HydrophobicContact CB-CG 4.22Å; V56-Q59 HydrophobicContact CG1-CG 4.49Å; V56-Q59 VanDerWaalsContact CG1-NE2 3.26Å; V56-Q59 WeakPolarHBondContact O-CB 3.33Å; V56-Q59 PolarHBondContact O-N 3.45Å; P57-Q59 PolarHBondContact O-N 2.95Å; P57-Q59 VanDerWaalsContact O-N 3.11Å
60	G	90.7	Very high	94.7	Very high	48 Å²	48	62.9 Å²	62.9	50%	0.495	33%	0.325	S	S	.	.			trans	-71.2	170.2	171.8	0	0	0	0	0	111.9	E62	G60-E62 PolarHBondContact O-N 2.87Å
61	P	93.4	Very high	94.7	Very high	87 Å²	87	67 Å²	67	57%	0.565	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	130.4	170.7	-18.2	31.8	0	0	0	111.5	Y53	Y53-P61 HydrophobicContact CD1-CB 4.47Å
62	E	95.9	Very high	94.8	Very high	83 Å²	83	66.7 Å²	66.7	39%	0.388	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	137.9	174.3	-63.5	-177.3	167.7	0	0	109.8	Y53 R54 G60	Y53-E62 CarbonylContact C-O 3.57Å; Y53-E62 WeakPolarHBondContact CA-O 3.38Å; Y53-E62 WeakPolarHBondContact CB-O 3.39Å; R54-E62 PolarHBondContact N-O 2.86Å; R54-E62 PolarHBondContact O-N 2.96Å; G60-E62 PolarHBondContact O-N 2.87Å
63	Y	96.4	Very high	94.7	Very high	119 Å²	119	71.8 Å²	71.8	47%	0.467	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	133.9	176.9	166.8	-94.4	0	0	0	111	Y51 Y53 T65 H66	Y51-Y63 HydrophobicContact CD1-CE2 4.18Å; Y53-Y63 HydrophobicContact CE1-CD2 4.32Å; Y63-T65 VanDerWaalsContact CZ-CA 3.46Å; Y63-T65 WeakPolarHBondContact OH-CA 3.32Å; Y63-H66 HydrophobicContact CE2-CB 4.18Å; Y63-H66 AromaticContact CE2-ND1 3.78Å; Y63-H66 AromaticContact CZ-ND1 3.67Å; Y63-H66 PolarHBondContact OH-N 2.91Å; Y63-H66 PolarHBondContact OH-ND1 2.92Å
64	V	97.2	Very high	94.7	Very high	7 Å²	7	72.6 Å²	72.6	4%	0.042	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-62.3	175.2	-179.4	0	0	0	0	110.6	W52 R54 N74 M76 A77 L90 Y103	W52-V64 HydrophobicContact CB-CB 4.29Å; W52-V64 WeakPolarHBondContact O-CB 3.25Å; W52-V64 PolarHBondContact O-N 2.85Å; R54-V64 HydrophobicContact CB-CG2 3.6Å; V64-N74 PolarHBondContact O-ND2 2.79Å; V64-M76 HydrophobicContact CG1-SD 4.08Å; V64-M76 HydrophobicContact CG2-SD 4.39Å; V64-A77 HydrophobicContact CG1-CB 3.86Å; V64-L90 HydrophobicContact CG1-CD1 4.14Å; V64-L90 HydrophobicContact CG1-CD2 4.28Å; V64-Y103 HydrophobicContact CG2-CE1 4.35Å
65	T	98.1	Very high	94.7	Very high	7 Å²	7	77.7 Å²	77.7	4%	0.043	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	165.3	-178.1	-167.5	0	0	0	0	111	W52 Y63 T72 L79 L90	W52-T65 HydrophobicContact CB-CG2 4.36Å; W52-T65 PolarHBondContact N-O 2.82Å; W52-T65 PolarHBondContact O-N 2.9Å; Y63-T65 VanDerWaalsContact CZ-CA 3.46Å; Y63-T65 WeakPolarHBondContact OH-CA 3.32Å; T65-T72 PolarHBondContact OG1-OG1 3.24Å; T65-L79 HydrophobicContact CG2-CB 3.74Å; T65-L79 HydrophobicContact CG2-CD2 4.07Å; T65-L79 HydrophobicContact CG2-CG 4.43Å; T65-L90 HydrophobicContact CG2-CD1 3.66Å
66	H	97.5	Very high	94.6	Very high	66 Å²	66	78 Å²	78	31%	0.306	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	160.1	168.7	73.7	-67.8	0	0	0	111.5	Y49 I50 Y51 Y63 T72	Y49-H66 AromaticContact CD1-CD2 3.49Å; Y49-H66 VanDerWaalsContact CD1-CD2 3.49Å; Y49-H66 WeakPolarHBondContact CD1-CD2 3.39Å; I50-H66 CarbonylContact O-C 3.37Å; I50-H66 WeakPolarHBondContact O-CA 3.42Å; I50-H66 WeakPolarHBondContact O-CB 3.49Å; Y51-H66 HydrophobicContact CD1-CB 3.29Å; Y51-H66 AromaticContact CD1-CG 3.92Å; Y51-H66 HydrophobicContact CD2-CB 4.44Å; Y51-H66 HydrophobicContact CE1-CB 3.4Å; Y51-H66 VanDerWaalsContact CE1-CB 3.4Å; Y51-H66 AromaticContact CE1-CD2 3.73Å; Y51-H66 AromaticContact CE1-CG 3.48Å; Y51-H66 VanDerWaalsContact CE1-CG 3.48Å; Y51-H66 HydrophobicContact CG-CB 3.82Å; Y51-H66 AromaticContact CZ-CD2 3.85Å; Y63-H66 HydrophobicContact CE2-CB 4.18Å; Y63-H66 AromaticContact CE2-ND1 3.78Å; Y63-H66 AromaticContact CZ-ND1 3.67Å; Y63-H66 PolarHBondContact OH-N 2.91Å; Y63-H66 PolarHBondContact OH-ND1 2.92Å; H66-T72 WeakPolarHBondContact O-CG2 3.34Å
67	G	96.8	Very high	94.9	Very high	5 Å²	5	76.9 Å²	76.9	5%	0.052	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	159.2	174	0	0	0	0	0	113	I50	I50-G67 PolarHBondContact N-O 3.17Å; I50-G67 PolarHBondContact O-N 3.03Å
68	L	95	Very high	95.3	Very high	53 Å²	53	75.3 Å²	75.3	28%	0.277	41%	0.406	S	S	.	.	S	Bend	trans	-101	-68.4	179	-168.7	75	0	0	0	110.9	E48 Y49 R85	E48-L68 VanDerWaalsContact O-CD1 3.3Å; E48-L68 WeakPolarHBondContact O-CD1 3.47Å; Y49-L68 HydrophobicContact CD1-CB 3.79Å; Y49-L68 HydrophobicContact CD1-CD1 4.2Å; Y49-L68 HydrophobicContact CD2-CD1 4.02Å; Y49-L68 HydrophobicContact CE1-CB 3.69Å; Y49-L68 HydrophobicContact CE1-CD1 4.31Å; Y49-L68 HydrophobicContact CE1-CG 4.45Å; Y49-L68 HydrophobicContact CE2-CD1 4.1Å; Y49-L68 HydrophobicContact CG-CB 4.48Å; Y49-L68 HydrophobicContact CG-CD1 4.06Å; L68-R85 VanDerWaalsContact O-CZ 3.24Å; L68-R85 PolarHBondContact O-NE 2.79Å; L68-R85 PolarHBondContact O-NH2 2.77Å
69	Q	93.4	Very high	95.8	Very high	94 Å²	94	66.3 Å²	66.3	44%	0.439	36%	0.359	S	S	.	.	S	Bend	trans	-122.7	-37.3	-174.8	-176.3	70.2	51.4	0	0	112.5	S83	Q69-S83 PolarHBondContact NE2-O 2.94Å
70	Q	95.5	Very high	96.2	Very high	159 Å²	159	62.6 Å²	62.6	74%	0.743	35%	0.346	S	S	*	.	S	Bend	trans	-92.1	147.5	-176.7	-68	175.2	-24.5	0	0	110.3	I81	Q70-I81 WeakPolarHBondContact O-CD1 3.38Å
71	N	97.5	Very high	96.6	Very high	85 Å²	85	61 Å²	61	46%	0.455	33%	0.326	S	S	.	.			trans	-59.5	146.1	170.4	-61.8	-16.9	0	0	0	109.9	F78 L79 A80 I81	N71-F78 HydrophobicContact CB-CE2 3.79Å; N71-F78 HydrophobicContact CB-CZ 3.68Å; N71-L79 CarbonylContact C-O 3.54Å; N71-L79 WeakPolarHBondContact CA-O 3.38Å; N71-L79 WeakPolarHBondContact CB-O 3.09Å; N71-A80 WeakPolarHBondContact OD1-CA 3.44Å; N71-I81 PolarHBondContact OD1-N 2.98Å
72	T	97.3	Very high	96.7	Very high	36 Å²	36	58.2 Å²	58.2	22%	0.221	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	148.4	177.7	69.6	0	0	0	0	110.1	T65 H66 F78 L79	T65-T72 PolarHBondContact OG1-OG1 3.24Å; H66-T72 WeakPolarHBondContact O-CG2 3.34Å; T72-F78 CarbonylContact O-C 3.55Å; T72-F78 WeakPolarHBondContact O-CA 3.24Å; T72-L79 PolarHBondContact N-O 2.95Å; T72-L79 PolarHBondContact O-N 2.8Å; T72-L79 WeakPolarHBondContact OG1-CB 3.49Å
73	T	97.7	Very high	96.7	Very high	108 Å²	108	59.5 Å²	59.5	66%	0.663	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.1	138.9	176.9	-51.1	0	0	0	0	108.4	F78	T73-F78 VanDerWaalsContact OG1-CD2 3.28Å; T73-F78 WeakPolarHBondContact OG1-CD2 3.37Å
74	N	96.4	Very high	96.6	Very high	57 Å²	57	58.2 Å²	58.2	31%	0.305	33%	0.33	S	S	.	.			trans	-133.6	-170.5	164.1	65.2	40.3	0	0	0	109.8	V64 M76 A77	V64-N74 PolarHBondContact O-ND2 2.79Å; N74-M76 PolarHBondContact O-N 3.4Å; N74-M76 WeakPolarHBondContact OD1-CA 3.49Å; N74-M76 WeakPolarHBondContact OD1-CB 2.93Å; N74-M76 PolarHBondContact OD1-N 3.01Å; N74-A77 PolarHBondContact N-O 2.89Å; N74-A77 PolarHBondContact OD1-N 2.82Å; N74-A77 PolarHBondContact OD1-O 2.84Å
75	S	94.8	Very high	96.5	Very high	132 Å²	132	58.7 Å²	58.7	92%	0.923	33%	0.331	S	S	*	.	S	Bend	trans	-65.7	-22	-178.8	52.7	0	0	0	0	114.2
76	M	94	Very high	96.4	Very high	78 Å²	78	63.6 Å²	63.6	38%	0.384	35%	0.351	S	S	.	.	S	Bend	trans	-101.7	-38.2	-175.6	-176.7	-175.6	-69.4	0	0	112.8	V64 N74 P93	V64-M76 HydrophobicContact CG1-SD 4.08Å; V64-M76 HydrophobicContact CG2-SD 4.39Å; N74-M76 PolarHBondContact O-N 3.4Å; N74-M76 WeakPolarHBondContact OD1-CA 3.49Å; N74-M76 WeakPolarHBondContact OD1-CB 2.93Å; N74-M76 PolarHBondContact OD1-N 3.01Å; M76-P93 WeakPolarHBondContact O-CD 3.46Å
77	A	97.6	Very high	96.3	Very high	3 Å²	3	62.9 Å²	62.9	3%	0.025	35%	0.354	C	S	.	.			trans	-150.3	157.5	-167.6	0	0	0	0	0	113.6	V64 N74 L90 I91 L92	V64-A77 HydrophobicContact CG1-CB 3.86Å; N74-A77 PolarHBondContact N-O 2.89Å; N74-A77 PolarHBondContact OD1-N 2.82Å; N74-A77 PolarHBondContact OD1-O 2.84Å; A77-L90 HydrophobicContact CB-CD1 3.63Å; A77-L90 HydrophobicContact CB-CG 4.3Å; A77-I91 WeakPolarHBondContact CA-O 3.01Å; A77-L92 HydrophobicContact CB-CD2 3.76Å
78	F	98.5	Very high	96.4	Very high	64 Å²	64	62.8 Å²	62.8	28%	0.281	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.5	165.6	172.9	-94.1	0	0	0	109.7	N71 T72 T73 A80 I91	N71-F78 HydrophobicContact CB-CE2 3.79Å; N71-F78 HydrophobicContact CB-CZ 3.68Å; T72-F78 CarbonylContact O-C 3.55Å; T72-F78 WeakPolarHBondContact O-CA 3.24Å; T73-F78 VanDerWaalsContact OG1-CD2 3.28Å; T73-F78 WeakPolarHBondContact OG1-CD2 3.37Å; F78-A80 HydrophobicContact CD1-CB 4.2Å; F78-A80 HydrophobicContact CE1-CB 3.6Å; F78-A80 HydrophobicContact CZ-CB 4.48Å; F78-I91 HydrophobicContact CB-CB 4.18Å; F78-I91 HydrophobicContact CD1-CB 4.22Å; F78-I91 HydrophobicContact CD1-CD1 3.52Å; F78-I91 HydrophobicContact CD1-CG1 3.97Å; F78-I91 HydrophobicContact CE1-CD1 3.96Å; F78-I91 PolarHBondContact N-O 2.66Å; F78-I91 PolarHBondContact O-N 3.23Å
79	L	98.6	Very high	96.6	Very high	0 Å²	0	62 Å²	62	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	110.3	172.2	176.4	60.2	0	0	0	109.3	W52 T65 N71 T72 I81	W52-L79 VanDerWaalsContact NE1-CD1 3.34Å; T65-L79 HydrophobicContact CG2-CB 3.74Å; T65-L79 HydrophobicContact CG2-CD2 4.07Å; T65-L79 HydrophobicContact CG2-CG 4.43Å; N71-L79 CarbonylContact C-O 3.54Å; N71-L79 WeakPolarHBondContact CA-O 3.38Å; N71-L79 WeakPolarHBondContact CB-O 3.09Å; T72-L79 PolarHBondContact N-O 2.95Å; T72-L79 PolarHBondContact O-N 2.8Å; T72-L79 WeakPolarHBondContact OG1-CB 3.49Å; L79-I81 HydrophobicContact CD2-CD1 4.14Å; L79-I81 HydrophobicContact CD2-CG1 4.29Å; L79-I81 HydrophobicContact CG-CD1 4.34Å; L79-I81 HydrophobicContact CG-CG1 3.98Å
80	A	98.5	Very high	96.8	Very high	23 Å²	23	57.6 Å²	57.6	19%	0.19	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	130.5	169.1	0	0	0	0	0	109.5	N71 F78 S88 T89	N71-A80 WeakPolarHBondContact OD1-CA 3.44Å; F78-A80 HydrophobicContact CD1-CB 4.2Å; F78-A80 HydrophobicContact CE1-CB 3.6Å; F78-A80 HydrophobicContact CZ-CB 4.48Å; A80-S88 CarbonylContact O-C 3.45Å; A80-S88 WeakPolarHBondContact O-CA 3.49Å; A80-S88 VanDerWaalsContact O-CB 3.25Å; A80-S88 WeakPolarHBondContact O-CB 3.14Å; A80-T89 PolarHBondContact N-O 2.85Å; A80-T89 PolarHBondContact O-N 2.82Å
81	I	97.9	Very high	97	Very high	14 Å²	14	51.4 Å²	51.4	7%	0.072	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	127.4	175.5	-57.7	178.1	0	0	0	108	I50 Q70 N71 L79 R85	I50-I81 HydrophobicContact CD1-CD1 4.09Å; I50-I81 HydrophobicContact CD1-CG1 4.15Å; I50-I81 HydrophobicContact CD1-CG2 3.78Å; Q70-I81 WeakPolarHBondContact O-CD1 3.38Å; N71-I81 PolarHBondContact OD1-N 2.98Å; L79-I81 HydrophobicContact CD2-CD1 4.14Å; L79-I81 HydrophobicContact CD2-CG1 4.29Å; L79-I81 HydrophobicContact CG-CD1 4.34Å; L79-I81 HydrophobicContact CG-CG1 3.98Å; I81-R85 HydrophobicContact CG2-CB 4.49Å
82	A	96.8	Very high	97	Very high	29 Å²	29	47.8 Å²	47.8	24%	0.24	28%	0.281	C	S	.	.			trans	-62	150.7	175	0	0	0	0	0	110.6	D84 R85 S87	A82-D84 WeakPolarHBondContact CB-OD1 3.18Å; A82-D84 PolarHBondContact O-N 2.74Å; A82-R85 VanDerWaalsContact O-CA 3.3Å; A82-R85 WeakPolarHBondContact O-CA 3.42Å; A82-R85 PolarHBondContact O-N 2.87Å; A82-S87 WeakPolarHBondContact CB-O 3.28Å; A82-S87 WeakPolarHBondContact CB-OG 3.18Å; A82-S87 PolarHBondContact N-O 3.04Å
83	S	95.1	Very high	97	Very high	110 Å²	110	49.2 Å²	49.2	77%	0.769	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-35.6	-178.2	52.2	0	0	0	0	113	Q69 R85	Q69-S83 PolarHBondContact NE2-O 2.94Å; S83-R85 PolarHBondContact O-N 3.03Å
84	D	94.6	Very high	96.9	Very high	92 Å²	92	51 Å²	51	49%	0.492	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-4.5	174.5	74.3	-10.7	0	0	0	113.7	A82 K86	A82-D84 WeakPolarHBondContact CB-OD1 3.18Å; A82-D84 PolarHBondContact O-N 2.74Å; D84-K86 PolarHBondContact O-N 2.64Å; D84-K86 VanDerWaalsContact O-N 3.14Å; D84-K86 PolarHBondContact OD1-N 3.08Å
85	R	95.3	Very high	96.9	Very high	18 Å²	18	49 Å²	49	7%	0.068	28%	0.282	C	S	.	.	S	Bend	trans	59.7	13.4	-178.6	-43.3	173.7	72.3	-139.2	-16.6	114.7	H41 I44 S45 G46 E48 L68 I81 A82 S83 S87	H41-R85 PolarHBondContact CE1-O 2.86Å; H41-R85 PolarHBondContact ND1-O 3.1Å; I44-R85 HydrophobicContact CD1-CB 4.45Å; I44-R85 HydrophobicContact CG2-CB 4.15Å; I44-R85 WeakPolarHBondContact CG2-O 3.32Å; S45-R85 PolarHBondContact O-NH1 3.32Å; G46-R85 PolarHBondContact O-NH1 2.76Å; E48-R85 PolarHBondContact O-NH2 2.92Å; L68-R85 VanDerWaalsContact O-CZ 3.24Å; L68-R85 PolarHBondContact O-NE 2.79Å; L68-R85 PolarHBondContact O-NH2 2.77Å; I81-R85 HydrophobicContact CG2-CB 4.49Å; A82-R85 VanDerWaalsContact O-CA 3.3Å; A82-R85 WeakPolarHBondContact O-CA 3.42Å; A82-R85 PolarHBondContact O-N 2.87Å; S83-R85 PolarHBondContact O-N 3.03Å; R85-S87 VanDerWaalsContact C-N 3.3Å
86	K	95.3	Very high	96.9	Very high	110 Å²	110	44.7 Å²	44.7	48%	0.478	25%	0.252	S	S	.	.	S	Bend	trans	-86.1	-4.8	-179.6	-67.1	-175.9	177.4	177	0	113.6	H41 D84	H41-K86 CarbonylContact C-O 3.6Å; H41-K86 PolarHBondContact N-O 2.03Å; H41-K86 PolarHBondContact ND1-O 3.47Å; D84-K86 PolarHBondContact O-N 2.64Å; D84-K86 VanDerWaalsContact O-N 3.14Å; D84-K86 PolarHBondContact OD1-N 3.08Å
87	S	96.8	Very high	96.9	Very high	51 Å²	51	47.6 Å²	47.6	36%	0.357	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	158.3	172.1	58.9	0	0	0	0	111	C39 H41 A82 R85	C39-S87 CarbonylContact O-C 3.58Å; C39-S87 VanDerWaalsContact O-CA 3.3Å; C39-S87 WeakPolarHBondContact O-CA 3.49Å; H41-S87 PolarHBondContact CE1-N 2.75Å; A82-S87 WeakPolarHBondContact CB-O 3.28Å; A82-S87 WeakPolarHBondContact CB-OG 3.18Å; A82-S87 PolarHBondContact N-O 3.04Å; R85-S87 VanDerWaalsContact C-N 3.3Å
88	S	97.9	Very high	96.6	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.014	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	155.3	175.3	56.6	0	0	0	0	110.3	C39 H41 I50 A80	C39-S88 PolarHBondContact N-O 3.36Å; C39-S88 PolarHBondContact O-N 2.89Å; C39-S88 VanDerWaalsContact O-O 3.13Å; H41-S88 PolarHBondContact NE2-OG 3Å; I50-S88 WeakPolarHBondContact CG2-OG 3.38Å; A80-S88 CarbonylContact O-C 3.45Å; A80-S88 WeakPolarHBondContact O-CA 3.49Å; A80-S88 VanDerWaalsContact O-CB 3.25Å; A80-S88 WeakPolarHBondContact O-CB 3.14Å
89	T	98.6	Very high	96.4	Very high	38 Å²	38	56.3 Å²	56.3	23%	0.233	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	121.4	177.9	-54.1	0	0	0	0	109.2	H36 L37 A80 I91	H36-T89 HydrophobicContact CB-CG2 3.82Å; L37-T89 WeakPolarHBondContact O-CA 3.47Å; A80-T89 PolarHBondContact N-O 2.85Å; A80-T89 PolarHBondContact O-N 2.82Å; T89-I91 HydrophobicContact CG2-CG1 3.97Å
90	L	98.7	Very high	96.2	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	120.8	167.4	-174.5	72.9	0	0	0	108.4	L37 W52 V64 T65 A77 L92 Y103	L37-L90 HydrophobicContact CB-CB 4.26Å; L37-L90 HydrophobicContact CD1-CD2 4.17Å; L37-L90 PolarHBondContact N-O 2.74Å; L37-L90 PolarHBondContact O-N 3.02Å; W52-L90 HydrophobicContact CB-CD1 4.22Å; W52-L90 HydrophobicContact CB-CD2 4.05Å; W52-L90 HydrophobicContact CD2-CB 3.67Å; W52-L90 HydrophobicContact CD2-CD1 4.47Å; W52-L90 HydrophobicContact CD2-CD2 3.78Å; W52-L90 HydrophobicContact CD2-CG 4.18Å; W52-L90 HydrophobicContact CE3-CB 3.99Å; W52-L90 HydrophobicContact CE3-CD2 3.63Å; W52-L90 HydrophobicContact CE3-CG 4.41Å; W52-L90 HydrophobicContact CG-CB 4.11Å; W52-L90 HydrophobicContact CG-CD1 4.07Å; W52-L90 HydrophobicContact CG-CD2 3.99Å; W52-L90 HydrophobicContact CG-CG 4.3Å; W52-L90 HydrophobicContact CH2-CB 4.09Å; W52-L90 HydrophobicContact CZ2-CB 3.79Å; W52-L90 HydrophobicContact CZ3-CB 4.2Å; W52-L90 HydrophobicContact CZ3-CD2 4.27Å; V64-L90 HydrophobicContact CG1-CD1 4.14Å; V64-L90 HydrophobicContact CG1-CD2 4.28Å; T65-L90 HydrophobicContact CG2-CD1 3.66Å; A77-L90 HydrophobicContact CB-CD1 3.63Å; A77-L90 HydrophobicContact CB-CG 4.3Å; L90-L92 HydrophobicContact CD2-CD2 4.27Å; L90-L92 HydrophobicContact CG-CD2 4.34Å; L90-Y103 HydrophobicContact CD2-CD1 3.71Å; L90-Y103 HydrophobicContact CD2-CE1 4.11Å
91	I	98.6	Very high	96.1	Very high	30 Å²	30	60 Å²	60	15%	0.154	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	119.3	-178.3	-52	-176.3	0	0	0	108.2	T34 V35 A77 F78 T89	T34-I91 HydrophobicContact CG2-CG2 3.47Å; T34-I91 VanDerWaalsContact CG2-CG2 3.47Å; V35-I91 VanDerWaalsContact O-CA 3.32Å; V35-I91 WeakPolarHBondContact O-CA 3.43Å; A77-I91 WeakPolarHBondContact CA-O 3.01Å; F78-I91 HydrophobicContact CB-CB 4.18Å; F78-I91 HydrophobicContact CD1-CB 4.22Å; F78-I91 HydrophobicContact CD1-CD1 3.52Å; F78-I91 HydrophobicContact CD1-CG1 3.97Å; F78-I91 HydrophobicContact CE1-CD1 3.96Å; F78-I91 PolarHBondContact N-O 2.66Å; F78-I91 PolarHBondContact O-N 3.23Å; T89-I91 HydrophobicContact CG2-CG1 3.97Å
92	L	98	Very high	96	Very high	8 Å²	8	63 Å²	63	4%	0.042	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	108.5	177.8	-59	174.3	0	0	0	108.3	T34 V35 L37 A77 L90 V95 Y103	T34-L92 WeakPolarHBondContact CA-O 3.49Å; V35-L92 PolarHBondContact N-O 3.25Å; V35-L92 PolarHBondContact O-N 2.89Å; L37-L92 HydrophobicContact CD1-CD1 3.87Å; A77-L92 HydrophobicContact CB-CD2 3.76Å; L90-L92 HydrophobicContact CD2-CD2 4.27Å; L90-L92 HydrophobicContact CG-CD2 4.34Å; L92-V95 HydrophobicContact CB-CG1 3.68Å; L92-Y103 HydrophobicContact CD1-CE1 3.84Å; L92-Y103 HydrophobicContact CD1-CE2 4Å; L92-Y103 VanDerWaalsContact CD1-CZ 3.49Å; L92-Y103 WeakPolarHBondContact CD1-OH 3.26Å; L92-Y103 HydrophobicContact CD2-CE1 4.34Å
93	P	96.9	Very high	96	Very high	66 Å²	66	62.9 Å²	62.9	43%	0.429	34%	0.344	S	S	.	.	S	Bend	trans	-80.5	139.7	179.4	32.2	-32.9	0	0	0	111.1	M76	M76-P93 WeakPolarHBondContact O-CD 3.46Å
94	H	95.5	Very high	96.1	Very high	145 Å²	145	60.5 Å²	60.5	67%	0.671	32%	0.321	S	S	*	.	S	Bend	trans	52.6	57.2	174.6	-51.8	96.9	0	0	0	113.5	E33	E33-H94 CarbonylContact O-C 3.6Å; E33-H94 WeakPolarHBondContact O-CA 3.45Å; E33-H94 PolarHBondContact O-N 2.86Å; E33-H94 VanDerWaalsContact O-N 3.11Å
95	V	96.9	Very high	96.2	Very high	15 Å²	15	56.2 Å²	56.2	9%	0.091	30%	0.298	C	S	.	.			trans	-62.2	151.6	-177	-61.1	0	0	0	0	112.4	E31 G32 E33 V35 L92 D99	E31-V95 CarbonylContact C-O 3.47Å; E31-V95 WeakPolarHBondContact CA-O 3.3Å; G32-V95 PolarHBondContact N-O 2.86Å; E33-V95 PolarHBondContact O-N 2.85Å; V35-V95 HydrophobicContact CB-CG1 4Å; V35-V95 HydrophobicContact CG2-CB 4.3Å; V35-V95 HydrophobicContact CG2-CG1 3.6Å; V35-V95 HydrophobicContact CG2-CG2 3.78Å; L92-V95 HydrophobicContact CB-CG1 3.68Å; V95-D99 HydrophobicContact CB-CB 4.5Å
96	S	95.7	Very high	96.2	Very high	43 Å²	43	58 Å²	58	30%	0.301	31%	0.308	S	S	.	.			trans	-131.5	171.9	176	68.1	0	0	0	0	110.8	R98 D99	S96-R98 PolarHBondContact O-N 2.64Å; S96-R98 WeakPolarHBondContact OG-CB 3.25Å; S96-R98 PolarHBondContact OG-N 3.38Å; S96-D99 PolarHBondContact N-OD2 3.41Å; S96-D99 WeakPolarHBondContact O-CB 3.28Å; S96-D99 PolarHBondContact O-N 3.16Å; S96-D99 PolarHBondContact OG-OD2 3.07Å
97	L	93	Very high	96.2	Very high	138 Å²	138	53.6 Å²	53.6	72%	0.723	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-54.3	-24.2	170	-74.6	171.8	0	0	0	113.5	E31 D99 A100	E31-L97 HydrophobicContact CG-CG 4.45Å; E31-L97 VanDerWaalsContact OE1-CG 3.31Å; E31-L97 WeakPolarHBondContact OE1-CG 3.3Å; E31-L97 PolarHBondContact OE1-N 2.73Å; L97-D99 PolarHBondContact O-N 3.18Å; L97-A100 WeakPolarHBondContact O-CB 3.39Å; L97-A100 PolarHBondContact O-N 2.75Å
98	R	92.1	Very high	96	Very high	212 Å²	212	57.2 Å²	57.2	80%	0.8	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-73	-12.4	176.3	-63.4	-176.3	178.4	-174.1	0.5	113.6	R54 S96	R54-R98 PolarHBondContact NH1-O 2.82Å; R54-R98 PolarHBondContact NH2-O 3.3Å; S96-R98 PolarHBondContact O-N 2.64Å; S96-R98 WeakPolarHBondContact OG-CB 3.25Å; S96-R98 PolarHBondContact OG-N 3.38Å
99	D	94.3	Very high	95.7	Very high	38 Å²	38	63.1 Å²	63.1	20%	0.203	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-95.1	-13.7	179.2	-58.2	-60.7	0	0	0	112	R54 V95 S96 L97 A101 Y103	R54-D99 PolarHBondContact NH2-O 3.46Å; V95-D99 HydrophobicContact CB-CB 4.5Å; S96-D99 PolarHBondContact N-OD2 3.41Å; S96-D99 WeakPolarHBondContact O-CB 3.28Å; S96-D99 PolarHBondContact O-N 3.16Å; S96-D99 PolarHBondContact OG-OD2 3.07Å; L97-D99 PolarHBondContact O-N 3.18Å; D99-A101 PolarHBondContact O-N 3.12Å; D99-Y103 WeakPolarHBondContact O-CE2 3.44Å; D99-Y103 PolarHBondContact O-OH 2.9Å; D99-Y103 VanDerWaalsContact O-OH 3.13Å
100	A	94.5	Very high	95.5	Very high	69 Å²	69	64.4 Å²	64.4	57%	0.57	34%	0.336	S	S	*	.			trans	-55.5	112	174.2	0	0	0	0	0	110.8	R54 L97	R54-A100 PolarHBondContact NH2-O 2.83Å; L97-A100 WeakPolarHBondContact O-CB 3.39Å; L97-A100 PolarHBondContact O-N 2.75Å
101	A	95.8	Very high	95.4	Very high	31 Å²	31	67.7 Å²	67.7	26%	0.256	35%	0.354	S	S	.	.	S	Bend	trans	-167.8	171.2	-175.1	0	0	0	0	0	110	R54 Q55 V56 D99 Y103	R54-A101 HydrophobicContact CG-CB 3.57Å; R54-A101 VanDerWaalsContact NE-CB 3.33Å; Q55-A101 WeakPolarHBondContact O-CB 3.1Å; V56-A101 HydrophobicContact CG2-CB 4.27Å; D99-A101 PolarHBondContact O-N 3.12Å; A101-Y103 HydrophobicContact CB-CD2 4.49Å; A101-Y103 HydrophobicContact CB-CE2 4.04Å
102	V	96	Very high	95.2	Very high	79 Å²	79	69.8 Å²	69.8	48%	0.479	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129.6	166.9	-175.5	0	0	0	0	108.5	R54 Q55 H104	R54-V102 CarbonylContact C-O 3.5Å; Q55-V102 HydrophobicContact CB-CB 4.43Å; Q55-V102 PolarHBondContact N-O 2.91Å; Q55-V102 PolarHBondContact O-N 2.83Å; V102-H104 WeakPolarHBondContact CG1-CE1 3.12Å; V102-H104 WeakPolarHBondContact CG1-NE2 3.47Å
103	Y	97	Very high	95	Very high	26 Å²	26	73.5 Å²	73.5	10%	0.102	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.6	177.2	-73.2	-97.6	0	0	0	110.4	Q23 L37 Y53 R54 V64 L90 L92 D99 A101	Q23-Y103 PolarHBondContact NE2-O 3.23Å; L37-Y103 HydrophobicContact CD1-CD1 4Å; L37-Y103 HydrophobicContact CD1-CD2 3.81Å; L37-Y103 HydrophobicContact CD1-CE2 4.36Å; L37-Y103 HydrophobicContact CD1-CG 3.61Å; Y53-Y103 CarbonylContact O-C 3.55Å; Y53-Y103 WeakPolarHBondContact O-CA 3.5Å; R54-Y103 HydrophobicContact CB-CD1 4.11Å; R54-Y103 HydrophobicContact CB-CE1 3.85Å; R54-Y103 HydrophobicContact CG-CD1 4.33Å; R54-Y103 HydrophobicContact CG-CE1 3.82Å; R54-Y103 HydrophobicContact CG-CE2 4.35Å; R54-Y103 PolarHBondContact NE-OH 3.11Å; V64-Y103 HydrophobicContact CG2-CE1 4.35Å; L90-Y103 HydrophobicContact CD2-CD1 3.71Å; L90-Y103 HydrophobicContact CD2-CE1 4.11Å; L92-Y103 HydrophobicContact CD1-CE1 3.84Å; L92-Y103 HydrophobicContact CD1-CE2 4Å; L92-Y103 VanDerWaalsContact CD1-CZ 3.49Å; L92-Y103 WeakPolarHBondContact CD1-OH 3.26Å; L92-Y103 HydrophobicContact CD2-CE1 4.34Å; D99-Y103 WeakPolarHBondContact O-CE2 3.44Å; D99-Y103 PolarHBondContact O-OH 2.9Å; D99-Y103 VanDerWaalsContact O-OH 3.13Å; A101-Y103 HydrophobicContact CB-CD2 4.49Å; A101-Y103 HydrophobicContact CB-CE2 4.04Å
104	H	96.1	Very high	94.9	Very high	60 Å²	60	73.9 Å²	73.9	28%	0.278	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	122.4	-176.3	-62.4	-71.7	0	0	0	110.8	W52 Y53 Q55 V102 I106	W52-H104 WeakPolarHBondContact CA-O 3.2Å; Y53-H104 PolarHBondContact N-O 2.94Å; Y53-H104 PolarHBondContact O-N 3.14Å; Q55-H104 PolarHBondContact OE1-NE2 2.82Å; V102-H104 WeakPolarHBondContact CG1-CE1 3.12Å; V102-H104 WeakPolarHBondContact CG1-NE2 3.47Å; H104-I106 HydrophobicContact CB-CD1 4.37Å; H104-I106 HydrophobicContact CB-CG1 4.37Å
105	C	97	Very high	94.9	Very high	2 Å²	2	69.2 Å²	69.2	1%	0.014	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	123.4	170.5	176.3	0	0	0	0	109.6	T21 Q23 C39 Y51 W52	T21-C105 WeakPolarHBondContact CG2-O 3.13Å; T21-C105 PolarHBondContact OG1-O 2.76Å; Q23-C105 HydrophobicContact CG-CB 4.17Å; C39-C105 HydrophobicContact CB-CB 3.52Å; C39-C105 WeakPolarHBondContact CB-SG 3.3Å; C39-C105 WeakPolarHBondContact SG-CB 2.96Å; C39-C105 CovalentContact SG-SG 2.03Å; C39-C105 PolarHBondContact SG-SG 3.46Å; Y51-C105 WeakPolarHBondContact O-CA 3.13Å; W52-C105 HydrophobicContact CD2-CB 4.08Å; W52-C105 HydrophobicContact CE3-CB 4.16Å; W52-C105 HydrophobicContact CH2-CB 3.91Å; W52-C105 HydrophobicContact CZ2-CB 3.79Å; W52-C105 HydrophobicContact CZ3-CB 4.07Å
106	I	95.5	Very high	94.7	Very high	54 Å²	54	73.1 Å²	73.1	28%	0.277	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	141.6	-173.8	-51.1	176.5	0	0	0	109.5	Y51 Y53 H104 R108	Y51-I106 PolarHBondContact N-O 2.96Å; Y51-I106 PolarHBondContact O-N 2.85Å; Y53-I106 HydrophobicContact CD2-CD1 3.96Å; Y53-I106 HydrophobicContact CE2-CD1 4.24Å; H104-I106 HydrophobicContact CB-CD1 4.37Å; H104-I106 HydrophobicContact CB-CG1 4.37Å; I106-R108 HydrophobicContact CG2-CG 4.06Å
107	L	95.3	Very high	94.6	Very high	18 Å²	18	75.4 Å²	75.4	9%	0.094	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	133.2	170.4	-59.9	-171.1	0	0	0	111	K20 T21 H41 I44 Y49 I50	K20-L107 HydrophobicContact CD-CB 4.13Å; K20-L107 HydrophobicContact CD-CD1 3.6Å; K20-L107 HydrophobicContact CD-CG 4.34Å; K20-L107 HydrophobicContact CG-CD1 3.84Å; T21-L107 HydrophobicContact CG2-CG 4Å; H41-L107 HydrophobicContact CB-CD1 3.71Å; H41-L107 HydrophobicContact CB-CD2 4.36Å; H41-L107 HydrophobicContact CB-CG 4.24Å; I44-L107 HydrophobicContact CB-CD1 3.72Å; I44-L107 HydrophobicContact CD1-CD1 4.09Å; I44-L107 HydrophobicContact CD1-CD2 3.75Å; I44-L107 HydrophobicContact CG1-CD1 3.78Å; I44-L107 HydrophobicContact CG1-CD2 4.32Å; Y49-L107 WeakPolarHBondContact O-CA 3.36Å; I50-L107 HydrophobicContact CB-CD2 4.18Å; I50-L107 HydrophobicContact CG1-CD2 3.57Å
108	R	93.5	Very high	94.8	Very high	127 Å²	127	70.2 Å²	70.2	48%	0.479	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	145.2	174.7	-57.3	-174.6	179.9	-176.1	1.2	110.9	E48 Y49 Y51 I106	E48-R108 CarbonylContact C-O 3.53Å; E48-R108 WeakPolarHBondContact CA-O 3.36Å; Y49-R108 PolarHBondContact N-O 3.26Å; Y49-R108 PolarHBondContact O-N 2.94Å; Y49-R108 VanDerWaalsContact O-N 3.08Å; Y51-R108 HydrophobicContact CD2-CB 3.98Å; Y51-R108 HydrophobicContact CD2-CG 4.28Å; Y51-R108 HydrophobicContact CE2-CB 3.78Å; I106-R108 HydrophobicContact CG2-CG 4.06Å
109	V	90.4	Very high	95	Very high	126 Å²	126	57.3 Å²	57.3	76%	0.764	32%	0.32	S	S	*	.			trans	-77	0	170.3	178.5	0	0	0	0	110.3	N47 E48	N47-V109 VanDerWaalsContact ND2-CG1 3.28Å; N47-V109 WeakPolarHBondContact ND2-CG1 3.39Å; E48-V109 HydrophobicContact CG-CG2 3.62Å

Retrieved 109 of 109 residues in 93.5 ms (Link to these results)

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