A0A075B639_MOUSE Loading...

T cell receptor alpha variable 6-7-DV9

AlphaFold DB , UniProt , Accession A0A075B639, Species MOUSE (Mus musculus, Mouse), Gene Trav6-7-dv9, Length 125 aa.

						>A0A075B639_MOUSE|A0A075B639|Trav6-7-dv9
MLRIMNTVEMGLKMNSSPGFMTVMLLIFTRAHGDSVTQTEGQVALSEEDFLTIHCNYSASGYPTLFWYVQYPGEGPQLLFRASRDKEKGSSRGFEATYDKGTTSFHLRKASVQESDSAVYYCALS
					

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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	36.7	Very low	39.2	Very low	194 Å²	194	96.3 Å²	96.3	96%	0.956	50%	0.504	S	S	*	.				0	101.8	0	-173	-174.1	-110	0	0	106.5	A44	M1-A44 HydrophobicContact CG-CB 4.19Å
2	L	40.2	Very low	39.1	Very low	12 Å²	12	103.4 Å²	103.4	6%	0.063	54%	0.542	C	S	.	.			trans	-64.9	134.7	-177.5	-155.6	74.8	0	0	0	109	I4 A44 L45 V112 Q113	L2-I4 HydrophobicContact CD2-CD1 4.23Å; L2-I4 HydrophobicContact CD2-CG1 4.43Å; L2-A44 VanDerWaalsContact O-CA 3.3Å; L2-A44 WeakPolarHBondContact O-CA 3.3Å; L2-L45 VanDerWaalsContact CB-O 3.27Å; L2-L45 WeakPolarHBondContact CB-O 3.37Å; L2-L45 HydrophobicContact CD2-CB 4.4Å; L2-L45 PolarHBondContact N-O 3.11Å; L2-V112 HydrophobicContact CD2-CB 4.06Å; L2-V112 HydrophobicContact CD2-CG1 4.5Å; L2-V112 HydrophobicContact CD2-CG2 4.06Å; L2-Q113 WeakPolarHBondContact CD1-O 3.37Å
3	R	43.8	Very low	39	Very low	151 Å²	151	110.5 Å²	110.5	57%	0.57	57%	0.565	S	S	*	*			trans	-117.5	98.8	176.5	-77.3	-172.7	-177	-156.1	-0.4	109	S117	R3-S117 PolarHBondContact N-OG 2.76Å; R3-S117 PolarHBondContact O-OG 2.77Å; R3-S117 VanDerWaalsContact O-OG 3.05Å
4	I	43.8	Very low	39.2	Very low	0 Å²	0	116.4 Å²	116.4	0%	0	59%	0.593	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.5	111.4	165.9	-64.1	168.6	0	0	0	107.1	L2 Q42 V43 L51 I53 A118 Y120	L2-I4 HydrophobicContact CD2-CD1 4.23Å; L2-I4 HydrophobicContact CD2-CG1 4.43Å; I4-Q42 WeakPolarHBondContact O-CA 3.27Å; I4-V43 HydrophobicContact CB-CB 4.36Å; I4-V43 PolarHBondContact N-O 3.05Å; I4-V43 PolarHBondContact O-N 2.93Å; I4-V43 VanDerWaalsContact O-N 3.13Å; I4-L51 HydrophobicContact CD1-CD1 3.6Å; I4-L51 HydrophobicContact CD1-CD2 3.89Å; I4-L51 HydrophobicContact CD1-CG 4.4Å; I4-I53 HydrophobicContact CG2-CD1 3.98Å; I4-A118 WeakPolarHBondContact CA-O 3.5Å; I4-Y120 HydrophobicContact CD1-CE2 4.32Å; I4-Y120 HydrophobicContact CG1-CD2 4.45Å; I4-Y120 HydrophobicContact CG1-CE2 4.14Å; I4-Y120 HydrophobicContact CG2-CD2 3.73Å; I4-Y120 HydrophobicContact CG2-CE2 4.27Å
5	M	39.8	Very low	39.1	Very low	100 Å²	100	119.4 Å²	119.4	49%	0.493	61%	0.611	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.5	125.2	176.1	-75.2	170.6	66.5	0	0	107.8	Q42 V119	M5-Q42 HydrophobicContact CG-CG 4.02Å; M5-Q42 VanDerWaalsContact CG-NE2 3.33Å; M5-V119 HydrophobicContact CB-CG2 3.72Å; M5-V119 WeakPolarHBondContact O-CA 3.2Å; M5-V119 WeakPolarHBondContact O-CB 3.45Å; M5-V119 WeakPolarHBondContact O-CG1 3.5Å; M5-V119 WeakPolarHBondContact O-CG2 3.11Å
6	N	42.8	Very low	39.5	Very low	6 Å²	6	119.4 Å²	119.4	3%	0.032	63%	0.625	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.7	107	176.2	-68.6	-30.8	0	0	0	109.5	G41 Y120	N6-G41 PolarHBondContact N-O 3.12Å; N6-Y120 PolarHBondContact OD1-N 3.46Å; N6-Y120 PolarHBondContact OD1-O 2.92Å; N6-Y120 VanDerWaalsContact OD1-O 3.07Å
7	T	32.8	Very low	40.2	Very low	112 Å²	112	118.8 Å²	118.8	69%	0.687	63%	0.633	S	S	*	*			trans	-155.5	104.9	172.3	-56.2	0	0	0	0	110.2	Y121	T7-Y121 WeakPolarHBondContact O-CE1 3.46Å
8	V	40.7	Very low	40.5	Very low	69 Å²	69	119.9 Å²	119.9	42%	0.418	65%	0.648	S	S	.	*			trans	-158.9	121.2	135.2	-162.1	0	0	0	0	109.2	M10 Y121	V8-M10 HydrophobicContact CB-CG 4.28Å; V8-M10 HydrophobicContact CG1-CB 4.46Å; V8-M10 HydrophobicContact CG1-CG 3.46Å; V8-M10 VanDerWaalsContact CG1-CG 3.46Å; V8-M10 PolarHBondContact O-N 3.17Å; V8-Y121 HydrophobicContact CB-CD1 4.49Å; V8-Y121 HydrophobicContact CB-CE1 4.21Å; V8-Y121 HydrophobicContact CG2-CD1 4.15Å; V8-Y121 HydrophobicContact CG2-CE1 3.47Å; V8-Y121 VanDerWaalsContact CG2-CE1 3.47Å
9	E	35.4	Very low	40.8	Very low	196 Å²	196	116.6 Å²	116.6	92%	0.916	65%	0.645	S	S	*	*			trans	-76.9	101.9	149.4	-81	-160	131.3	0	0	107.6	G11	E9-G11 VanDerWaalsContact C-N 3.29Å; E9-G11 PolarHBondContact O-N 3.3Å
10	M	37.1	Very low	41.7	Very low	157 Å²	157	121.1 Å²	121.1	77%	0.773	66%	0.658	S	S	*	*			trans	-92.9	70.5	161.4	-73	-169.1	-72.5	0	0	108.6	V8	V8-M10 HydrophobicContact CB-CG 4.28Å; V8-M10 HydrophobicContact CG1-CB 4.46Å; V8-M10 HydrophobicContact CG1-CG 3.46Å; V8-M10 VanDerWaalsContact CG1-CG 3.46Å; V8-M10 PolarHBondContact O-N 3.17Å
11	G	38.6	Very low	42	Very low	62 Å²	62	124.7 Å²	124.7	64%	0.639	67%	0.673	S	S	*	*			trans	-76.1	118.5	161	0	0	0	0	0	108.8	E9 K13	E9-G11 VanDerWaalsContact C-N 3.29Å; E9-G11 PolarHBondContact O-N 3.3Å; G11-K13 PolarHBondContact O-N 3.03Å
12	L	38.1	Very low	42.9	Very low	182 Å²	182	120.7 Å²	120.7	95%	0.953	66%	0.659	S	S	*	*			trans	-60.7	98.8	168.1	-74.2	165.9	0	0	0	108.8	M14	L12-M14 PolarHBondContact O-N 2.93Å
13	K	37.2	Very low	43.6	Very low	195 Å²	195	127 Å²	127	85%	0.848	70%	0.698	S	S	*	*			trans	-73.7	107.5	169.4	-82.2	-177.7	176.6	174.2	0	109.1	G11 N15	G11-K13 PolarHBondContact O-N 3.03Å; K13-N15 PolarHBondContact O-N 3.3Å
14	M	41.6	Very low	44.2	Very low	193 Å²	193	126.8 Å²	126.8	95%	0.951	71%	0.705	S	S	*	*			trans	-72.6	103.7	164.2	-113.8	148.5	56.4	0	0	108.9	L12	L12-M14 PolarHBondContact O-N 2.93Å
15	N	38.1	Very low	44.7	Very low	162 Å²	162	134.3 Å²	134.3	87%	0.866	75%	0.745	S	S	*	*			trans	-75.3	126.7	170.6	-103	-3.5	0	0	0	109.8	K13	K13-N15 PolarHBondContact O-N 3.3Å
16	S	45	Very low	45.5	Very low	119 Å²	119	135 Å²	135	83%	0.832	75%	0.75	S	S	*	*			trans	-117.4	120.4	165.9	-174.5	0	0	0	0	108.9
17	S	51.6	Low	46.3	Very low	110 Å²	110	141.4 Å²	141.4	77%	0.769	78%	0.783	S	S	*	*			trans	-72.9	142.8	-180	-67	0	0	0	0	111.9	G19	S17-G19 PolarHBondContact O-N 3.08Å
18	P	45.6	Very low	47.3	Very low	138 Å²	138	144.2 Å²	144.2	90%	0.896	79%	0.786	S	S	*	*			trans	-89.6	106.1	177.9	33.8	-27.5	0	0	0	110
19	G	46.5	Very low	47.8	Very low	57 Å²	57	146.5 Å²	146.5	59%	0.588	80%	0.8	S	S	*	*			trans	-140.2	127	164.1	0	0	0	0	0	108	S17	S17-G19 PolarHBondContact O-N 3.08Å
20	F	58.2	Low	48.6	Very low	206 Å²	206	147.7 Å²	147.7	90%	0.904	80%	0.796	S	S	*	*			trans	92.7	106.7	-177.2	-61.3	-83.6	0	0	0	116.2	T22	F20-T22 PolarHBondContact O-N 3.23Å
21	M	48	Very low	49.4	Very low	198 Å²	198	144.7 Å²	144.7	98%	0.975	80%	0.796	S	S	*	*			trans	-69.9	101.1	171.4	-71	-80.2	-76.5	0	0	109.6
22	T	55.5	Low	50.5	Low	109 Å²	109	149.2 Å²	149.2	67%	0.669	80%	0.801	S	S	*	*			trans	-133.5	135.1	170.5	-0.4	0	0	0	0	108.3	F20 M24	F20-T22 PolarHBondContact O-N 3.23Å; T22-M24 PolarHBondContact O-N 3.13Å
23	V	55.2	Low	52.4	Low	146 Å²	146	143 Å²	143	89%	0.885	78%	0.78	S	S	*	*			trans	-56.2	106.6	-179.2	175.5	0	0	0	0	109.5
24	M	57.2	Low	54.7	Low	145 Å²	145	137.2 Å²	137.2	71%	0.714	76%	0.758	S	S	*	*			trans	-97.8	108.1	179.5	-81.7	-73.2	-175.3	0	0	110	T22 L26	T22-M24 PolarHBondContact O-N 3.13Å; M24-L26 HydrophobicContact CB-CD2 4.26Å; M24-L26 HydrophobicContact CB-CG 4.17Å; M24-L26 PolarHBondContact O-N 3.2Å; M24-L26 VanDerWaalsContact O-N 3.07Å
25	L	54.3	Low	57.1	Low	158 Å²	158	130.7 Å²	130.7	83%	0.827	73%	0.732	S	S	*	*			trans	-67.7	97.5	156.4	-100.1	95.5	0	0	0	107.5	I27	L25-I27 PolarHBondContact O-N 3.41Å
26	L	55.5	Low	59.8	Low	116 Å²	116	125.1 Å²	125.1	61%	0.607	70%	0.703	S	S	*	*			trans	-78.5	87.9	179	-69.1	165.3	0	0	0	110.3	M24 F28	M24-L26 HydrophobicContact CB-CD2 4.26Å; M24-L26 HydrophobicContact CB-CG 4.17Å; M24-L26 PolarHBondContact O-N 3.2Å; M24-L26 VanDerWaalsContact O-N 3.07Å; L26-F28 VanDerWaalsContact C-N 3.31Å; L26-F28 HydrophobicContact CB-CD2 3.96Å; L26-F28 HydrophobicContact CB-CE2 3.66Å; L26-F28 HydrophobicContact CB-CZ 4.17Å; L26-F28 HydrophobicContact CD1-CE2 3.82Å; L26-F28 HydrophobicContact CD1-CZ 3.8Å; L26-F28 HydrophobicContact CD2-CZ 4.18Å; L26-F28 HydrophobicContact CG-CE2 4.2Å; L26-F28 HydrophobicContact CG-CZ 4.27Å; L26-F28 PolarHBondContact O-N 3.1Å; L26-F28 VanDerWaalsContact O-N 3.14Å
27	I	59.4	Low	62.1	Low	140 Å²	140	123.7 Å²	123.7	72%	0.718	69%	0.69	S	S	*	*			trans	-76.4	91.2	158.2	-43.2	177.5	0	0	0	105.9	L25 T29	L25-I27 PolarHBondContact O-N 3.41Å; I27-T29 HydrophobicContact CG2-CG2 4.27Å; I27-T29 PolarHBondContact O-N 2.96Å
28	F	54.7	Low	64.2	Low	171 Å²	171	120.1 Å²	120.1	75%	0.75	66%	0.661	S	S	*	*			trans	-70.2	83.1	170.3	-72.2	-77.2	0	0	0	109	L26 R30	L26-F28 VanDerWaalsContact C-N 3.31Å; L26-F28 HydrophobicContact CB-CD2 3.96Å; L26-F28 HydrophobicContact CB-CE2 3.66Å; L26-F28 HydrophobicContact CB-CZ 4.17Å; L26-F28 HydrophobicContact CD1-CE2 3.82Å; L26-F28 HydrophobicContact CD1-CZ 3.8Å; L26-F28 HydrophobicContact CD2-CZ 4.18Å; L26-F28 HydrophobicContact CG-CE2 4.2Å; L26-F28 HydrophobicContact CG-CZ 4.27Å; L26-F28 PolarHBondContact O-N 3.1Å; L26-F28 VanDerWaalsContact O-N 3.14Å; F28-R30 PolarHBondContact O-N 2.85Å
29	T	50.3	Low	66.3	Low	117 Å²	117	115.3 Å²	115.3	72%	0.718	63%	0.629	S	S	*	*			trans	-65.9	113.5	159.2	46.9	0	0	0	0	106.6	I27 A31	I27-T29 HydrophobicContact CG2-CG2 4.27Å; I27-T29 PolarHBondContact O-N 2.96Å; T29-A31 VanDerWaalsContact C-N 3.26Å; T29-A31 PolarHBondContact O-N 2.73Å
30	R	52.8	Low	68.2	Low	220 Å²	220	121 Å²	121	83%	0.83	64%	0.64	S	S	*	*			trans	-60	97.3	165.6	-85.6	-174.1	-172.7	-177.4	1.8	106.9	F28 H32	F28-R30 PolarHBondContact O-N 2.85Å; R30-H32 PolarHBondContact O-N 2.89Å; R30-H32 PolarHBondContact O-ND1 3.1Å; R30-H32 VanDerWaalsContact O-ND1 3.12Å
31	A	54.6	Low	69.3	Low	95 Å²	95	113 Å²	113	79%	0.785	62%	0.617	S	S	*	*			trans	-60.4	108.2	162.2	0	0	0	0	0	106.1	T29 G33	T29-A31 VanDerWaalsContact C-N 3.26Å; T29-A31 PolarHBondContact O-N 2.73Å; A31-G33 PolarHBondContact O-N 2.93Å
32	H	61.7	Low	71	Confident	157 Å²	157	109 Å²	109	73%	0.727	60%	0.596	S	S	*	*			trans	-71.9	89	171.1	-73.6	68.7	0	0	0	106	R30	R30-H32 PolarHBondContact O-N 2.89Å; R30-H32 PolarHBondContact O-ND1 3.1Å; R30-H32 VanDerWaalsContact O-ND1 3.12Å
33	G	76.3	Confident	72.4	Confident	50 Å²	50	105.3 Å²	105.3	52%	0.515	57%	0.572	S	S	.	*			trans	-67.2	155	173.3	0	0	0	0	0	110.5	A31 S35	A31-G33 PolarHBondContact O-N 2.93Å; G33-S35 PolarHBondContact O-N 3.1Å
34	D	87.3	Confident	74	Confident	75 Å²	75	101.2 Å²	101.2	40%	0.401	55%	0.554	S	S	.	*			trans	-63.6	137.1	172.8	-61	-12.6	0	0	0	109.2	S58 A59 S60 L124	D34-S58 CarbonylContact C-O 3.51Å; D34-S58 WeakPolarHBondContact CA-O 3.2Å; D34-A59 HydrophobicContact CB-CB 4.15Å; D34-A59 WeakPolarHBondContact OD1-CA 3.04Å; D34-S60 PolarHBondContact OD1-N 3.13Å; D34-S60 PolarHBondContact OD1-OG 3.4Å; D34-L124 HydrophobicContact CB-CD1 3.54Å; D34-L124 HydrophobicContact CB-CD2 4.14Å
35	S	92	Very high	75.5	Confident	56 Å²	56	95.9 Å²	95.9	39%	0.392	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	156.3	-175.1	53.5	0	0	0	0	112.4	G33 Y57 S58 L124	G33-S35 PolarHBondContact O-N 3.1Å; S35-Y57 CarbonylContact O-C 3.51Å; S35-Y57 VanDerWaalsContact O-CA 3.24Å; S35-Y57 WeakPolarHBondContact O-CA 3.01Å; S35-S58 PolarHBondContact N-O 3.05Å; S35-S58 PolarHBondContact O-N 2.94Å; S35-L124 WeakPolarHBondContact O-CD2 3.29Å
36	V	93.7	Very high	77.3	Confident	44 Å²	44	92.2 Å²	92.2	27%	0.267	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.7	172.2	175.1	0	0	0	0	108.6	C55 N56 C122 L124	V36-C55 WeakPolarHBondContact CG1-SG 3.2Å; V36-N56 CarbonylContact C-O 3.57Å; V36-N56 WeakPolarHBondContact CA-O 3.33Å; V36-C122 HydrophobicContact CG1-CB 3.85Å; V36-L124 HydrophobicContact CG2-CB 4Å; V36-L124 HydrophobicContact CG2-CD2 3.57Å; V36-L124 HydrophobicContact CG2-CG 3.75Å
37	T	94.4	Very high	79	Confident	89 Å²	89	92.4 Å²	92.4	55%	0.546	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.4	169.9	-50.9	0	0	0	0	108.4	C55 N56	T37-C55 WeakPolarHBondContact O-CA 3.4Å; T37-N56 PolarHBondContact N-O 3.21Å; T37-N56 PolarHBondContact O-N 3.34Å
38	Q	94.2	Very high	80.5	Confident	35 Å²	35	93.4 Å²	93.4	16%	0.164	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	163.1	-177.3	63.4	179.2	29	0	0	112.3	E40 H54	Q38-E40 PolarHBondContact O-N 2.94Å; Q38-E40 VanDerWaalsContact O-N 3.11Å; Q38-H54 CarbonylContact C-O 3.55Å; Q38-H54 WeakPolarHBondContact CA-O 3.27Å
39	T	90.5	Very high	82.4	Confident	37 Å²	37	88.3 Å²	88.3	23%	0.227	50%	0.496	C	S	.	.			trans	-52.9	118.3	170.7	-60.9	0	0	0	0	110	V43 H54	T39-V43 HydrophobicContact CG2-CG2 4.21Å; T39-H54 PolarHBondContact N-O 2.94Å; T39-H54 WeakPolarHBondContact OG1-CB 2.99Å; T39-H54 PolarHBondContact OG1-N 2.89Å
40	E	85.8	Confident	84.5	Confident	176 Å²	176	88.3 Å²	88.3	82%	0.822	49%	0.486	S	S	*	.			trans	-80	150.8	-179.7	-66.2	-174.6	179.3	0	0	112.2	Q38	Q38-E40 PolarHBondContact O-N 2.94Å; Q38-E40 VanDerWaalsContact O-N 3.11Å
41	G	82.4	Confident	86.5	Confident	40 Å²	40	77.9 Å²	77.9	41%	0.412	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	81.7	-161.1	171.7	0	0	0	0	0	114	N6	N6-G41 PolarHBondContact N-O 3.12Å
42	Q	82.8	Confident	88.5	Confident	114 Å²	114	75 Å²	75	53%	0.533	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	132.3	-177.6	-67.8	179.8	-53.8	0	0	110.7	I4 M5	I4-Q42 WeakPolarHBondContact O-CA 3.27Å; M5-Q42 HydrophobicContact CG-CG 4.02Å; M5-Q42 VanDerWaalsContact CG-NE2 3.33Å
43	V	85.2	Confident	90.1	Very high	30 Å²	30	67.5 Å²	67.5	18%	0.182	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	118.8	169.9	-171.5	0	0	0	0	107.8	I4 T39 L45 L51	I4-V43 HydrophobicContact CB-CB 4.36Å; I4-V43 PolarHBondContact N-O 3.05Å; I4-V43 PolarHBondContact O-N 2.93Å; I4-V43 VanDerWaalsContact O-N 3.13Å; T39-V43 HydrophobicContact CG2-CG2 4.21Å; V43-L45 HydrophobicContact CG1-CD1 4.25Å; V43-L45 HydrophobicContact CG1-CD2 4.15Å; V43-L45 HydrophobicContact CG1-CG 3.95Å; V43-L51 HydrophobicContact CG1-CD1 4.48Å
44	A	88	Confident	91.1	Very high	60 Å²	60	69.6 Å²	69.6	50%	0.496	38%	0.381	S	S	.	.			trans	-107	117.1	175.6	0	0	0	0	0	109.9	M1 L2	M1-A44 HydrophobicContact CG-CB 4.19Å; L2-A44 VanDerWaalsContact O-CA 3.3Å; L2-A44 WeakPolarHBondContact O-CA 3.3Å
45	L	89.7	Confident	91.6	Very high	33 Å²	33	66 Å²	66	17%	0.173	36%	0.362	C	S	.	.			trans	-122.8	156.9	180	-62.3	176.9	0	0	0	110.1	L2 V43 D49 L51 V112	L2-L45 VanDerWaalsContact CB-O 3.27Å; L2-L45 WeakPolarHBondContact CB-O 3.37Å; L2-L45 HydrophobicContact CD2-CB 4.4Å; L2-L45 PolarHBondContact N-O 3.11Å; V43-L45 HydrophobicContact CG1-CD1 4.25Å; V43-L45 HydrophobicContact CG1-CD2 4.15Å; V43-L45 HydrophobicContact CG1-CG 3.95Å; L45-D49 HydrophobicContact CB-CB 4Å; L45-D49 HydrophobicContact CD1-CB 4.45Å; L45-D49 HydrophobicContact CD2-CB 4.23Å; L45-D49 HydrophobicContact CG-CB 4.44Å; L45-L51 HydrophobicContact CD1-CB 3.9Å; L45-L51 HydrophobicContact CD1-CD1 3.67Å; L45-L51 HydrophobicContact CD1-CG 4.39Å; L45-V112 HydrophobicContact CB-CG2 4.09Å; L45-V112 HydrophobicContact CD1-CG1 4.18Å; L45-V112 HydrophobicContact CD1-CG2 4.36Å
46	S	91.3	Very high	91.8	Very high	81 Å²	81	66.6 Å²	66.6	57%	0.566	36%	0.361	S	S	*	.			trans	-86.7	161.1	165.9	-52.7	0	0	0	0	109.5	D49 V112	S46-D49 WeakPolarHBondContact CB-OD2 2.99Å; S46-D49 PolarHBondContact N-OD2 2.87Å; S46-D49 VanDerWaalsContact O-CB 3.29Å; S46-D49 WeakPolarHBondContact O-CB 3.17Å; S46-D49 PolarHBondContact O-N 3.12Å; S46-V112 WeakPolarHBondContact O-CG2 3.12Å
47	E	90.8	Very high	91.9	Very high	121 Å²	121	65.3 Å²	65.3	57%	0.565	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	149.8	170.9	-63.5	-163.8	128.3	0	0	110.4	D49 E114	E47-D49 PolarHBondContact O-N 3.44Å; E47-E114 PolarHBondContact OE1-N 3.02Å; E47-E114 VanDerWaalsContact OE1-N 3.08Å
48	E	92.9	Very high	91.8	Very high	161 Å²	161	64 Å²	64	75%	0.752	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	-6.6	-176.1	-48	179.1	160.1	0	0	116	S111 V112	E48-S111 WeakPolarHBondContact CA-OG 3.24Å; E48-V112 PolarHBondContact N-O 2.66Å
49	D	93.7	Very high	91.7	Very high	63 Å²	63	63.6 Å²	63.6	34%	0.337	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-64.4	151.9	173.6	-75.7	-17.1	0	0	0	112	L45 S46 E47 V112	L45-D49 HydrophobicContact CB-CB 4Å; L45-D49 HydrophobicContact CD1-CB 4.45Å; L45-D49 HydrophobicContact CD2-CB 4.23Å; L45-D49 HydrophobicContact CG-CB 4.44Å; S46-D49 WeakPolarHBondContact CB-OD2 2.99Å; S46-D49 PolarHBondContact N-OD2 2.87Å; S46-D49 VanDerWaalsContact O-CB 3.29Å; S46-D49 WeakPolarHBondContact O-CB 3.17Å; S46-D49 PolarHBondContact O-N 3.12Å; E47-D49 PolarHBondContact O-N 3.44Å; D49-V112 HydrophobicContact CB-CG2 4.14Å; D49-V112 WeakPolarHBondContact O-CG2 3.47Å; D49-V112 PolarHBondContact O-N 2.83Å
50	F	95.1	Very high	91.4	Very high	117 Å²	117	67.4 Å²	67.4	51%	0.513	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-80.9	122.5	171.7	-178.3	-103.6	0	0	0	110.7	T52 R108 K109	F50-T52 WeakPolarHBondContact CE1-OG1 3.47Å; F50-R108 HydrophobicContact CZ-CB 4.19Å; F50-R108 HydrophobicContact CZ-CG 4.06Å; F50-K109 WeakPolarHBondContact CD2-O 3.28Å
51	L	94.8	Very high	91.4	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	135.1	174.6	174.7	67.4	0	0	0	110.9	I4 V43 L45 I53 F94 R108 K109 V112	I4-L51 HydrophobicContact CD1-CD1 3.6Å; I4-L51 HydrophobicContact CD1-CD2 3.89Å; I4-L51 HydrophobicContact CD1-CG 4.4Å; V43-L51 HydrophobicContact CG1-CD1 4.48Å; L45-L51 HydrophobicContact CD1-CB 3.9Å; L45-L51 HydrophobicContact CD1-CD1 3.67Å; L45-L51 HydrophobicContact CD1-CG 4.39Å; L51-I53 HydrophobicContact CD1-CD1 4.3Å; L51-I53 HydrophobicContact CD1-CG1 3.75Å; L51-I53 HydrophobicContact CD2-CD1 4.3Å; L51-I53 HydrophobicContact CD2-CG1 4.32Å; L51-I53 HydrophobicContact CG-CG1 4.11Å; L51-F94 HydrophobicContact CD2-CD1 4.42Å; L51-F94 HydrophobicContact CD2-CE1 3.75Å; L51-R108 VanDerWaalsContact O-CA 3.28Å; L51-R108 WeakPolarHBondContact O-CA 3.4Å; L51-K109 HydrophobicContact CB-CB 4.18Å; L51-K109 HydrophobicContact CD2-CB 4.39Å; L51-K109 PolarHBondContact N-O 2.76Å; L51-K109 PolarHBondContact O-N 3.34Å; L51-K109 VanDerWaalsContact O-N 3.1Å; L51-V112 HydrophobicContact CB-CG1 3.52Å; L51-V112 HydrophobicContact CD2-CG1 4.28Å; L51-V112 HydrophobicContact CG-CG1 4.47Å
52	T	95.9	Very high	91.7	Very high	35 Å²	35	67.9 Å²	67.9	22%	0.215	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	124	159.2	-67.2	0	0	0	0	109.8	F50 H106 L107	F50-T52 WeakPolarHBondContact CE1-OG1 3.47Å; T52-H106 HydrophobicContact CG2-CB 4.49Å; T52-L107 CarbonylContact C-O 3.55Å; T52-L107 VanDerWaalsContact CA-O 3.31Å; T52-L107 WeakPolarHBondContact CA-O 3.31Å
53	I	96	Very high	92.2	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	115.2	168.3	-51.5	-178.5	0	0	0	107	I4 L51 C55 W67 H106 L107 Y120	I4-I53 HydrophobicContact CG2-CD1 3.98Å; L51-I53 HydrophobicContact CD1-CD1 4.3Å; L51-I53 HydrophobicContact CD1-CG1 3.75Å; L51-I53 HydrophobicContact CD2-CD1 4.3Å; L51-I53 HydrophobicContact CD2-CG1 4.32Å; L51-I53 HydrophobicContact CG-CG1 4.11Å; I53-C55 PolarHBondContact O-N 3.3Å; I53-W67 HydrophobicContact CB-CH2 4.05Å; I53-W67 HydrophobicContact CG2-CH2 3.78Å; I53-W67 HydrophobicContact CG2-CZ3 4.26Å; I53-H106 CarbonylContact O-C 3.55Å; I53-H106 WeakPolarHBondContact O-CA 3Å; I53-L107 HydrophobicContact CB-CB 4.17Å; I53-L107 HydrophobicContact CD1-CD2 4.23Å; I53-L107 PolarHBondContact N-O 3.02Å; I53-L107 PolarHBondContact O-N 2.86Å; I53-Y120 HydrophobicContact CD1-CD2 3.88Å; I53-Y120 HydrophobicContact CD1-CG 3.86Å
54	H	96.9	Very high	92.7	Very high	94 Å²	94	62.9 Å²	62.9	44%	0.435	35%	0.349	S	S	.	.			trans	-71.9	128.7	178.4	-64.1	-79.4	0	0	0	109.4	Q38 T39 H106	Q38-H54 CarbonylContact C-O 3.55Å; Q38-H54 WeakPolarHBondContact CA-O 3.27Å; T39-H54 PolarHBondContact N-O 2.94Å; T39-H54 WeakPolarHBondContact OG1-CB 2.99Å; T39-H54 PolarHBondContact OG1-N 2.89Å; H54-H106 WeakPolarHBondContact CA-ND1 3.2Å; H54-H106 AromaticContact ND1-CD2 3.91Å; H54-H106 AromaticContact ND1-CE1 3.52Å; H54-H106 AromaticContact ND1-CG 3.94Å; H54-H106 AromaticContact ND1-ND1 3.75Å; H54-H106 AromaticContact ND1-NE2 3.63Å
55	C	97	Very high	93.2	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.9	160.7	174.9	0	0	0	0	110	V36 T37 I53 W67 S104 F105 H106 C122	V36-C55 WeakPolarHBondContact CG1-SG 3.2Å; T37-C55 WeakPolarHBondContact O-CA 3.4Å; I53-C55 PolarHBondContact O-N 3.3Å; C55-W67 HydrophobicContact CB-CH2 3.93Å; C55-W67 HydrophobicContact CB-CZ2 3.45Å; C55-W67 VanDerWaalsContact CB-CZ2 3.45Å; C55-S104 WeakPolarHBondContact O-CA 3.43Å; C55-S104 WeakPolarHBondContact O-CB 3.24Å; C55-F105 PolarHBondContact O-N 2.66Å; C55-H106 PolarHBondContact N-ND1 3.4Å; C55-H106 VanDerWaalsContact N-ND1 3.13Å; C55-H106 PolarHBondContact O-CE1 3.44Å; C55-H106 PolarHBondContact O-ND1 3.29Å; C55-C122 HydrophobicContact CB-CB 3.49Å; C55-C122 VanDerWaalsContact CB-CB 3.49Å; C55-C122 WeakPolarHBondContact CB-SG 3.38Å; C55-C122 WeakPolarHBondContact SG-CB 3.19Å; C55-C122 CovalentContact SG-SG 2.02Å; C55-C122 PolarHBondContact SG-SG 2.98Å
56	N	97.1	Very high	93.6	Very high	68 Å²	68	60.2 Å²	60.2	36%	0.364	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	154.1	168.7	-66.8	-22.7	0	0	0	109	V36 T37 T103 S104 H106	V36-N56 CarbonylContact C-O 3.57Å; V36-N56 WeakPolarHBondContact CA-O 3.33Å; T37-N56 PolarHBondContact N-O 3.21Å; T37-N56 PolarHBondContact O-N 3.34Å; N56-T103 CarbonylContact C-O 3.58Å; N56-T103 VanDerWaalsContact CA-O 3.26Å; N56-T103 WeakPolarHBondContact CA-O 3.44Å; N56-S104 WeakPolarHBondContact OD1-CB 3.35Å; N56-H106 PolarHBondContact OD1-CE1 2.83Å
57	Y	94.4	Very high	93.9	Very high	17 Å²	17	56.4 Å²	56.4	7%	0.067	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	155.4	175.9	73	-89.2	0	0	0	111.4	S35 A59 P63 L65 Y98 T103	S35-Y57 CarbonylContact O-C 3.51Å; S35-Y57 VanDerWaalsContact O-CA 3.24Å; S35-Y57 WeakPolarHBondContact O-CA 3.01Å; Y57-A59 HydrophobicContact CD2-CB 3.86Å; Y57-A59 HydrophobicContact CE2-CB 4.15Å; Y57-P63 HydrophobicContact CD2-CG 3.8Å; Y57-P63 HydrophobicContact CE2-CG 3.57Å; Y57-L65 HydrophobicContact CD1-CD1 3.67Å; Y57-L65 HydrophobicContact CD1-CD2 3.88Å; Y57-L65 HydrophobicContact CD1-CG 4.39Å; Y57-L65 HydrophobicContact CE1-CD1 3.66Å; Y57-L65 HydrophobicContact CG-CD2 4.02Å; Y57-Y98 HydrophobicContact CE1-CD2 4.41Å; Y57-Y98 AromaticContact CE1-CE2 3.74Å; Y57-Y98 HydrophobicContact CE1-CE2 3.74Å; Y57-Y98 AromaticContact CZ-CE2 3.84Å; Y57-Y98 WeakPolarHBondContact OH-CE2 3.21Å; Y57-Y98 PolarHBondContact OH-OH 3.48Å; Y57-T103 VanDerWaalsContact CD1-C 3.47Å; Y57-T103 WeakPolarHBondContact CD1-O 3.44Å; Y57-T103 HydrophobicContact CE2-CG2 4.47Å; Y57-T103 PolarHBondContact N-O 2.78Å; Y57-T103 WeakPolarHBondContact O-CB 3.26Å
58	S	94.1	Very high	94.2	Very high	60 Å²	60	54.2 Å²	54.2	42%	0.42	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	117	164.6	169.7	0	0	0	0	106.3	D34 S35	D34-S58 CarbonylContact C-O 3.51Å; D34-S58 WeakPolarHBondContact CA-O 3.2Å; S35-S58 PolarHBondContact N-O 3.05Å; S35-S58 PolarHBondContact O-N 2.94Å
59	A	90.6	Very high	94.4	Very high	27 Å²	27	46.6 Å²	46.6	22%	0.223	25%	0.249	C	C	.	.			trans	-141.9	145.3	177.4	0	0	0	0	0	110.9	D34 Y57 G61 P63	D34-A59 HydrophobicContact CB-CB 4.15Å; D34-A59 WeakPolarHBondContact OD1-CA 3.04Å; Y57-A59 HydrophobicContact CD2-CB 3.86Å; Y57-A59 HydrophobicContact CE2-CB 4.15Å; A59-G61 VanDerWaalsContact C-N 3.32Å; A59-P63 HydrophobicContact CB-CB 4.12Å; A59-P63 HydrophobicContact CB-CG 3.79Å
60	S	85.1	Confident	94.5	Very high	118 Å²	118	46.1 Å²	46.1	83%	0.825	25%	0.245	S	C	*	.	S	Bend	trans	-74.8	-20.7	178.4	59.1	0	0	0	0	113.7	D34	D34-S60 PolarHBondContact OD1-N 3.13Å; D34-S60 PolarHBondContact OD1-OG 3.4Å
61	G	86.1	Confident	94.4	Very high	38 Å²	38	42.6 Å²	42.6	39%	0.392	23%	0.229	S	C	.	.	S	Bend	trans	-118.9	-146.5	-174.4	0	0	0	0	0	115.1	A59 P63	A59-G61 VanDerWaalsContact C-N 3.32Å; G61-P63 WeakPolarHBondContact O-CD 3.31Å
62	Y	88.5	Confident	94.4	Very high	188 Å²	188	47.9 Å²	47.9	74%	0.737	26%	0.263	S	S	*	.			trans	-106.5	82.2	175	-63.3	-95.1	0	0	0	108.3
63	P	93.8	Very high	94.3	Very high	4 Å²	4	50.7 Å²	50.7	3%	0.026	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-67.2	151.1	-174.4	29.2	-36.5	0	0	0	110.7	Y57 A59 G61 Y98 L124 S125	Y57-P63 HydrophobicContact CD2-CG 3.8Å; Y57-P63 HydrophobicContact CE2-CG 3.57Å; A59-P63 HydrophobicContact CB-CB 4.12Å; A59-P63 HydrophobicContact CB-CG 3.79Å; G61-P63 WeakPolarHBondContact O-CD 3.31Å; P63-Y98 WeakPolarHBondContact CD-OH 3.25Å; P63-Y98 WeakPolarHBondContact O-CE1 3.47Å; P63-Y98 PolarHBondContact O-OH 2.91Å; P63-L124 HydrophobicContact CB-CB 4.2Å; P63-S125 CarbonylContact C-O 3.5Å; P63-S125 WeakPolarHBondContact CA-O 3.42Å
64	T	96	Very high	94.3	Very high	35 Å²	35	55 Å²	55	22%	0.215	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-87.8	128.6	158	-58.3	0	0	0	0	108.2	F66 R81 A82 L124 S125	T64-F66 HydrophobicContact CG2-CD2 4.43Å; T64-F66 HydrophobicContact CG2-CE1 3.89Å; T64-F66 HydrophobicContact CG2-CE2 3.69Å; T64-F66 HydrophobicContact CG2-CZ 3.37Å; T64-F66 WeakPolarHBondContact O-CD2 2.94Å; T64-F66 WeakPolarHBondContact O-CE2 3.14Å; T64-R81 HydrophobicContact CG2-CB 4.22Å; T64-R81 HydrophobicContact CG2-CG 4.42Å; T64-A82 WeakPolarHBondContact CA-O 3.37Å; T64-L124 CarbonylContact O-C 3.44Å; T64-L124 WeakPolarHBondContact O-CA 3.16Å; T64-S125 PolarHBondContact N-O 2.95Å; T64-S125 PolarHBondContact O-N 3.26Å
65	L	97.2	Very high	94.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	142.5	-179.9	-65.5	160.6	0	0	0	109.9	Y57 R81 A82 Y98 F105 A123 L124	Y57-L65 HydrophobicContact CD1-CD1 3.67Å; Y57-L65 HydrophobicContact CD1-CD2 3.88Å; Y57-L65 HydrophobicContact CD1-CG 4.39Å; Y57-L65 HydrophobicContact CE1-CD1 3.66Å; Y57-L65 HydrophobicContact CG-CD2 4.02Å; L65-R81 CarbonylContact O-C 3.57Å; L65-R81 WeakPolarHBondContact O-CA 3.35Å; L65-R81 WeakPolarHBondContact O-CB 3.31Å; L65-A82 PolarHBondContact N-O 3.18Å; L65-A82 PolarHBondContact O-N 2.94Å; L65-Y98 HydrophobicContact CD1-CD1 4.06Å; L65-Y98 HydrophobicContact CD1-CD2 3.64Å; L65-Y98 HydrophobicContact CD1-CE1 4.02Å; L65-Y98 HydrophobicContact CD1-CE2 3.67Å; L65-Y98 HydrophobicContact CD1-CG 3.88Å; L65-F105 HydrophobicContact CB-CB 4.27Å; L65-F105 HydrophobicContact CB-CD1 3.49Å; L65-F105 VanDerWaalsContact CB-CD1 3.49Å; L65-F105 HydrophobicContact CB-CE1 3.85Å; L65-F105 HydrophobicContact CB-CG 3.94Å; L65-F105 HydrophobicContact CD1-CB 3.81Å; L65-F105 HydrophobicContact CD1-CG 4.2Å; L65-F105 HydrophobicContact CG-CB 4.49Å; L65-A123 WeakPolarHBondContact CA-O 3.3Å; L65-L124 HydrophobicContact CD2-CB 3.92Å
66	F	97.8	Very high	94.1	Very high	37 Å²	37	56.5 Å²	56.5	16%	0.162	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	144	-174.9	-53.8	-98	0	0	0	110.4	T64 Y68 L78 R81 C122 A123	T64-F66 HydrophobicContact CG2-CD2 4.43Å; T64-F66 HydrophobicContact CG2-CE1 3.89Å; T64-F66 HydrophobicContact CG2-CE2 3.69Å; T64-F66 HydrophobicContact CG2-CZ 3.37Å; T64-F66 WeakPolarHBondContact O-CD2 2.94Å; T64-F66 WeakPolarHBondContact O-CE2 3.14Å; F66-Y68 HydrophobicContact CB-CD2 4.06Å; F66-Y68 HydrophobicContact CB-CE2 3.75Å; F66-Y68 HydrophobicContact CD1-CE2 4.43Å; F66-Y68 HydrophobicContact CG-CE2 4.29Å; F66-L78 HydrophobicContact CB-CD1 4.31Å; F66-L78 HydrophobicContact CD1-CD1 3.96Å; F66-R81 HydrophobicContact CD1-CB 3.55Å; F66-R81 HydrophobicContact CE1-CB 3.84Å; F66-R81 HydrophobicContact CE1-CG 4.47Å; F66-R81 HydrophobicContact CG-CB 4.28Å; F66-C122 WeakPolarHBondContact O-CA 3.19Å; F66-A123 HydrophobicContact CB-CB 4.38Å; F66-A123 PolarHBondContact N-O 3.44Å; F66-A123 PolarHBondContact O-N 3.39Å
67	W	98.2	Very high	94.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.6	160.8	-82.4	103.1	0	0	0	109.9	I53 C55 L79 F80 F105 L107 Y121 C122	I53-W67 HydrophobicContact CB-CH2 4.05Å; I53-W67 HydrophobicContact CG2-CH2 3.78Å; I53-W67 HydrophobicContact CG2-CZ3 4.26Å; C55-W67 HydrophobicContact CB-CH2 3.93Å; C55-W67 HydrophobicContact CB-CZ2 3.45Å; C55-W67 VanDerWaalsContact CB-CZ2 3.45Å; W67-L79 HydrophobicContact CB-CB 4.15Å; W67-L79 HydrophobicContact CB-CD1 4.25Å; W67-L79 WeakPolarHBondContact O-CB 3.43Å; W67-L79 PolarHBondContact O-N 3.03Å; W67-F80 HydrophobicContact CB-CD2 4.47Å; W67-F80 HydrophobicContact CB-CE2 4.14Å; W67-F80 HydrophobicContact CB-CZ 4.36Å; W67-F80 AromaticContact CD1-CE2 3.57Å; W67-F80 HydrophobicContact CG-CE2 4.18Å; W67-F80 HydrophobicContact CG-CZ 4.43Å; W67-F80 PolarHBondContact N-O 3.02Å; W67-F105 AromaticContact CD1-CD1 3.41Å; W67-F105 VanDerWaalsContact CD1-CD1 3.41Å; W67-F105 AromaticContact CD1-CE1 3.25Å; W67-F105 AromaticContact CD1-CZ 4Å; W67-F105 VanDerWaalsContact CE2-O 3.28Å; W67-F105 HydrophobicContact CG-CE1 4.31Å; W67-F105 VanDerWaalsContact CZ2-O 3.26Å; W67-F105 WeakPolarHBondContact CZ2-O 3.44Å; W67-F105 AromaticContact NE1-CD1 3.33Å; W67-F105 VanDerWaalsContact NE1-CD1 3.33Å; W67-F105 AromaticContact NE1-CE1 3.71Å; W67-F105 AromaticContact NE1-CG 3.9Å; W67-F105 PolarHBondContact NE1-O 2.87Å; W67-L107 HydrophobicContact CB-CD1 4.36Å; W67-L107 HydrophobicContact CD2-CB 3.88Å; W67-L107 HydrophobicContact CD2-CD1 3.98Å; W67-L107 HydrophobicContact CD2-CD2 4.13Å; W67-L107 HydrophobicContact CD2-CG 4.23Å; W67-L107 HydrophobicContact CE3-CB 4.16Å; W67-L107 HydrophobicContact CE3-CD2 3.88Å; W67-L107 HydrophobicContact CE3-CG 4.43Å; W67-L107 HydrophobicContact CG-CD1 3.84Å; W67-L107 HydrophobicContact CH2-CB 3.8Å; W67-L107 HydrophobicContact CZ2-CB 3.51Å; W67-L107 HydrophobicContact CZ3-CB 4.12Å; W67-L107 HydrophobicContact CZ3-CD2 4.16Å; W67-Y121 WeakPolarHBondContact CA-O 3.33Å; W67-C122 HydrophobicContact CD2-CB 4.4Å; W67-C122 HydrophobicContact CE3-CB 4.24Å; W67-C122 HydrophobicContact CH2-CB 3.74Å; W67-C122 HydrophobicContact CZ2-CB 3.87Å; W67-C122 HydrophobicContact CZ3-CB 3.92Å
68	Y	97.1	Very high	94.3	Very high	76 Å²	76	59.4 Å²	59.4	30%	0.298	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	151.4	168.9	-76.1	-103.5	0	0	0	109.9	F66 P76 Q77 L78 Y120 Y121	F66-Y68 HydrophobicContact CB-CD2 4.06Å; F66-Y68 HydrophobicContact CB-CE2 3.75Å; F66-Y68 HydrophobicContact CD1-CE2 4.43Å; F66-Y68 HydrophobicContact CG-CE2 4.29Å; Y68-P76 HydrophobicContact CD1-CB 3.93Å; Y68-Q77 CarbonylContact C-O 3.6Å; Y68-Q77 WeakPolarHBondContact CA-O 3.38Å; Y68-Q77 WeakPolarHBondContact CD1-O 3.38Å; Y68-L78 HydrophobicContact CD1-CB 4.42Å; Y68-L78 HydrophobicContact CD2-CD1 4.31Å; Y68-L78 HydrophobicContact CE1-CB 4.02Å; Y68-L78 HydrophobicContact CE1-CD1 4.46Å; Y68-L78 HydrophobicContact CE2-CD1 3.85Å; Y68-Y120 WeakPolarHBondContact O-CA 3.41Å; Y68-Y121 PolarHBondContact N-O 3.04Å; Y68-Y121 PolarHBondContact O-N 3.22Å
69	V	96.2	Very high	94.4	Very high	0 Å²	0	57 Å²	57	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	142.8	167.9	65.6	0	0	0	0	109.2	Y71 Q77 L79 A118 V119 Y120	V69-Y71 HydrophobicContact CG1-CE2 3.94Å; V69-Y71 HydrophobicContact CG2-CE1 4.27Å; V69-Y71 HydrophobicContact CG2-CE2 4.1Å; V69-Q77 HydrophobicContact CG1-CB 4.3Å; V69-Q77 PolarHBondContact N-O 2.81Å; V69-Q77 PolarHBondContact O-N 3.07Å; V69-L79 HydrophobicContact CB-CD1 3.96Å; V69-L79 HydrophobicContact CB-CD2 4.47Å; V69-L79 HydrophobicContact CB-CG 4.03Å; V69-L79 HydrophobicContact CG1-CD1 4.34Å; V69-L79 HydrophobicContact CG1-CD2 4Å; V69-L79 HydrophobicContact CG1-CG 3.87Å; V69-A118 HydrophobicContact CG2-CB 3.4Å; V69-V119 CarbonylContact C-O 3.55Å; V69-V119 WeakPolarHBondContact CA-O 3.33Å; V69-Y120 HydrophobicContact CB-CD1 4.03Å; V69-Y120 HydrophobicContact CB-CE1 3.91Å; V69-Y120 HydrophobicContact CG2-CD1 3.95Å; V69-Y120 HydrophobicContact CG2-CE1 3.52Å; V69-Y120 HydrophobicContact CG2-CE2 4.36Å
70	Q	96	Very high	94.8	Very high	53 Å²	53	56.6 Å²	56.6	25%	0.248	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	107.4	175.6	-178.3	-178.5	15.9	0	0	109	E74 A118 V119 Y121	Q70-E74 VanDerWaalsContact CG-O 3.31Å; Q70-E74 WeakPolarHBondContact CG-O 3.47Å; Q70-E74 PolarHBondContact NE2-O 3.4Å; Q70-A118 WeakPolarHBondContact O-CB 3.36Å; Q70-V119 HydrophobicContact CB-CB 4.27Å; Q70-V119 PolarHBondContact N-O 2.98Å; Q70-V119 PolarHBondContact O-N 2.83Å; Q70-Y121 HydrophobicContact CB-CE2 3.91Å; Q70-Y121 VanDerWaalsContact OE1-CE2 3.32Å; Q70-Y121 PolarHBondContact OE1-OH 3.07Å
71	Y	94.7	Very high	95.4	Very high	43 Å²	43	58.2 Å²	58.2	17%	0.169	32%	0.323	C	S	.	.			trans	-75.6	157.3	173.6	-63.4	-74.8	0	0	0	111.2	V69 G73 E74 S115 A118	V69-Y71 HydrophobicContact CG1-CE2 3.94Å; V69-Y71 HydrophobicContact CG2-CE1 4.27Å; V69-Y71 HydrophobicContact CG2-CE2 4.1Å; Y71-G73 PolarHBondContact O-N 2.81Å; Y71-E74 PolarHBondContact O-N 2.79Å; Y71-S115 WeakPolarHBondContact CE1-O 3.38Å; Y71-A118 HydrophobicContact CD1-CB 3.64Å; Y71-A118 HydrophobicContact CE1-CB 3.83Å; Y71-A118 HydrophobicContact CG-CB 4.32Å
72	P	92.9	Very high	95.9	Very high	113 Å²	113	56.4 Å²	56.4	73%	0.734	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	124.1	176.9	-26.3	35.4	0	0	0	112.3	E74	P72-E74 VanDerWaalsContact C-N 3.3Å; P72-E74 PolarHBondContact O-N 2.92Å
73	G	95.2	Very high	96.3	Very high	93 Å²	93	50 Å²	50	96%	0.959	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	-0.8	179.8	0	0	0	0	0	115.4	Y71	Y71-G73 PolarHBondContact O-N 2.81Å
74	E	95	Very high	96.4	Very high	92 Å²	92	58.8 Å²	58.8	43%	0.43	32%	0.32	S	S	.	.	S	Bend	trans	-108.3	164.6	179.1	-60.8	-175.4	-175.8	0	0	112.2	Q70 Y71 P72 Q77	Q70-E74 VanDerWaalsContact CG-O 3.31Å; Q70-E74 WeakPolarHBondContact CG-O 3.47Å; Q70-E74 PolarHBondContact NE2-O 3.4Å; Y71-E74 PolarHBondContact O-N 2.79Å; P72-E74 VanDerWaalsContact C-N 3.3Å; P72-E74 PolarHBondContact O-N 2.92Å; E74-Q77 PolarHBondContact OE2-NE2 3.47Å
75	G	94.5	Very high	96.5	Very high	46 Å²	46	60.8 Å²	60.8	47%	0.474	33%	0.329	S	S	.	.			trans	-81.4	163.7	169	0	0	0	0	0	112.3	Q77	G75-Q77 PolarHBondContact O-N 3.22Å
76	P	95.3	Very high	96.5	Very high	78 Å²	78	66.3 Å²	66.3	51%	0.506	35%	0.353	S	S	.	.			trans	-58.6	129.3	173.8	-23.5	34	0	0	0	112.3	Y68 Y121	Y68-P76 HydrophobicContact CD1-CB 3.93Å; P76-Y121 HydrophobicContact CG-CE2 4.44Å
77	Q	97.6	Very high	96.5	Very high	70 Å²	70	67.9 Å²	67.9	33%	0.327	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	136.6	176.6	-64.4	172.8	28.1	0	0	110.3	Y68 V69 E74 G75 L79	Y68-Q77 CarbonylContact C-O 3.6Å; Y68-Q77 WeakPolarHBondContact CA-O 3.38Å; Y68-Q77 WeakPolarHBondContact CD1-O 3.38Å; V69-Q77 HydrophobicContact CG1-CB 4.3Å; V69-Q77 PolarHBondContact N-O 2.81Å; V69-Q77 PolarHBondContact O-N 3.07Å; E74-Q77 PolarHBondContact OE2-NE2 3.47Å; G75-Q77 PolarHBondContact O-N 3.22Å; Q77-L79 PolarHBondContact O-N 2.78Å
78	L	97.6	Very high	96.5	Very high	77 Å²	77	73.5 Å²	73.5	40%	0.403	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	125.6	174.6	-178	67.8	0	0	0	109.9	F66 Y68	F66-L78 HydrophobicContact CB-CD1 4.31Å; F66-L78 HydrophobicContact CD1-CD1 3.96Å; Y68-L78 HydrophobicContact CD1-CB 4.42Å; Y68-L78 HydrophobicContact CD2-CD1 4.31Å; Y68-L78 HydrophobicContact CE1-CB 4.02Å; Y68-L78 HydrophobicContact CE1-CD1 4.46Å; Y68-L78 HydrophobicContact CE2-CD1 3.85Å
79	L	97.2	Very high	96.5	Very high	10 Å²	10	70.1 Å²	70.1	5%	0.052	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-57.4	166.1	-79.8	168.7	0	0	0	110.1	W67 V69 Q77 S91 R92 F94 L107 Y120	W67-L79 HydrophobicContact CB-CB 4.15Å; W67-L79 HydrophobicContact CB-CD1 4.25Å; W67-L79 WeakPolarHBondContact O-CB 3.43Å; W67-L79 PolarHBondContact O-N 3.03Å; V69-L79 HydrophobicContact CB-CD1 3.96Å; V69-L79 HydrophobicContact CB-CD2 4.47Å; V69-L79 HydrophobicContact CB-CG 4.03Å; V69-L79 HydrophobicContact CG1-CD1 4.34Å; V69-L79 HydrophobicContact CG1-CD2 4Å; V69-L79 HydrophobicContact CG1-CG 3.87Å; Q77-L79 PolarHBondContact O-N 2.78Å; L79-S91 WeakPolarHBondContact O-CB 3.12Å; L79-S91 PolarHBondContact O-OG 3.04Å; L79-R92 VanDerWaalsContact CD2-NE 3.32Å; L79-F94 HydrophobicContact CD1-CG 4.49Å; L79-F94 HydrophobicContact CD2-CD2 4.27Å; L79-L107 HydrophobicContact CD1-CD2 4.39Å; L79-Y120 HydrophobicContact CD1-CD1 3.89Å; L79-Y120 HydrophobicContact CD1-CE1 3.93Å
80	F	98.3	Very high	96.6	Very high	18 Å²	18	73.8 Å²	73.8	8%	0.079	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.4	171.2	178.6	47.5	-101.5	0	0	0	110.2	W67 F94 A96 F105 L107	W67-F80 HydrophobicContact CB-CD2 4.47Å; W67-F80 HydrophobicContact CB-CE2 4.14Å; W67-F80 HydrophobicContact CB-CZ 4.36Å; W67-F80 AromaticContact CD1-CE2 3.57Å; W67-F80 HydrophobicContact CG-CE2 4.18Å; W67-F80 HydrophobicContact CG-CZ 4.43Å; W67-F80 PolarHBondContact N-O 3.02Å; F80-F94 HydrophobicContact CE1-CB 4.04Å; F80-A96 HydrophobicContact CE2-CB 3.71Å; F80-A96 HydrophobicContact CZ-CB 4.02Å; F80-F105 HydrophobicContact CD2-CE1 4.42Å; F80-F105 AromaticContact CD2-CZ 3.92Å; F80-F105 HydrophobicContact CD2-CZ 3.92Å; F80-F105 HydrophobicContact CE2-CE1 4.24Å; F80-F105 AromaticContact CE2-CZ 3.8Å; F80-F105 HydrophobicContact CE2-CZ 3.8Å; F80-L107 HydrophobicContact CE1-CD1 4.14Å; F80-L107 HydrophobicContact CE2-CD1 4.41Å; F80-L107 HydrophobicContact CZ-CD1 3.51Å
81	R	97.6	Very high	96.7	Very high	151 Å²	151	73.1 Å²	73.1	57%	0.57	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.6	162.6	174.6	73.3	178.7	-172.4	-116.3	-1	111	T64 L65 F66	T64-R81 HydrophobicContact CG2-CB 4.22Å; T64-R81 HydrophobicContact CG2-CG 4.42Å; L65-R81 CarbonylContact O-C 3.57Å; L65-R81 WeakPolarHBondContact O-CA 3.35Å; L65-R81 WeakPolarHBondContact O-CB 3.31Å; F66-R81 HydrophobicContact CD1-CB 3.55Å; F66-R81 HydrophobicContact CE1-CB 3.84Å; F66-R81 HydrophobicContact CE1-CG 4.47Å; F66-R81 HydrophobicContact CG-CB 4.28Å
82	A	98	Very high	96.7	Very high	0 Å²	0	76 Å²	76	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	138.2	169.9	0	0	0	0	0	109.8	T64 L65 E87 Y98 F105	T64-A82 WeakPolarHBondContact CA-O 3.37Å; L65-A82 PolarHBondContact N-O 3.18Å; L65-A82 PolarHBondContact O-N 2.94Å; A82-E87 WeakPolarHBondContact CA-OE2 3.44Å; A82-E87 HydrophobicContact CB-CB 4.03Å; A82-E87 HydrophobicContact CB-CG 4Å; A82-Y98 HydrophobicContact CB-CD1 4.11Å; A82-Y98 HydrophobicContact CB-CG 4.46Å; A82-F105 HydrophobicContact CB-CE2 3.64Å; A82-F105 HydrophobicContact CB-CZ 3.65Å
83	S	96.6	Very high	96.9	Very high	53 Å²	53	73.1 Å²	73.1	37%	0.371	40%	0.401	S	S	.	.			trans	-122.5	-7.5	177.8	62.9	0	0	0	0	113.5	E87	S83-E87 PolarHBondContact N-OE2 3.47Å
84	R	96.7	Very high	97	Very high	189 Å²	189	68.7 Å²	68.7	71%	0.713	36%	0.356	S	S	*	.	S	Bend	trans	-117.9	146	179.2	-58.5	179.1	-178	-178.4	0.4	111.6	K86 E87 Y98	R84-K86 PolarHBondContact O-N 3.49Å; R84-E87 HydrophobicContact CB-CB 4.22Å; R84-E87 PolarHBondContact N-OE2 2.84Å; R84-E87 WeakPolarHBondContact O-CB 3.26Å; R84-E87 PolarHBondContact O-N 3.01Å; R84-Y98 VanDerWaalsContact O-CD1 3.24Å; R84-Y98 WeakPolarHBondContact O-CD1 3.38Å
85	D	97	Very high	97.2	Very high	77 Å²	77	67.4 Å²	67.4	41%	0.412	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	137.8	170.2	-176.1	43	0	0	0	110	E87 K100	D85-E87 PolarHBondContact O-N 3.02Å; D85-K100 HydrophobicContact CB-CB 3.91Å; D85-K100 WeakPolarHBondContact OD1-CB 3.15Å; D85-K100 PolarHBondContact OD1-N 2.79Å
86	K	97.4	Very high	97.4	Very high	117 Å²	117	65.3 Å²	65.3	51%	0.509	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	5.8	-174.8	-46.7	-49.6	-178.7	-161.9	0	115.7	R84 K88 Y98 D99	R84-K86 PolarHBondContact O-N 3.49Å; K86-K88 PolarHBondContact O-N 3.19Å; K86-Y98 WeakPolarHBondContact CA-O 3.35Å; K86-Y98 PolarHBondContact N-O 2.94Å; K86-D99 IonicContact NZ-OD1 2.66Å; K86-D99 PolarHBondContact NZ-OD1 2.92Å; K86-D99 IonicContact NZ-OD2 2.73Å; K86-D99 PolarHBondContact NZ-OD2 2.87Å
87	E	98.1	Very high	97.5	Very high	69 Å²	69	64.7 Å²	64.7	32%	0.322	32%	0.323	S	S	.	.			trans	-65.4	130.4	170.8	-174.5	175	-176.5	0	0	110.1	A82 S83 R84 D85 T97 Y98	A82-E87 WeakPolarHBondContact CA-OE2 3.44Å; A82-E87 HydrophobicContact CB-CB 4.03Å; A82-E87 HydrophobicContact CB-CG 4Å; S83-E87 PolarHBondContact N-OE2 3.47Å; R84-E87 HydrophobicContact CB-CB 4.22Å; R84-E87 PolarHBondContact N-OE2 2.84Å; R84-E87 WeakPolarHBondContact O-CB 3.26Å; R84-E87 PolarHBondContact O-N 3.01Å; D85-E87 PolarHBondContact O-N 3.02Å; E87-T97 WeakPolarHBondContact O-CA 3.21Å; E87-Y98 PolarHBondContact O-N 2.87Å
88	K	98	Very high	97.5	Very high	119 Å²	119	61.5 Å²	61.5	52%	0.517	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	114.9	177.5	-175	175.3	-179.4	174.9	0	109.3	K86 E95 A96	K86-K88 PolarHBondContact O-N 3.19Å; K88-E95 WeakPolarHBondContact CE-OE2 3.44Å; K88-E95 IonicContact NZ-OE1 2.78Å; K88-E95 IonicContact NZ-OE2 2.66Å; K88-E95 PolarHBondContact NZ-OE2 2.81Å; K88-A96 CarbonylContact C-O 3.49Å; K88-A96 WeakPolarHBondContact CA-O 3.03Å
89	G	97.5	Very high	97.5	Very high	5 Å²	5	59.8 Å²	59.8	5%	0.052	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	140.6	166.7	0	0	0	0	0	110.2	E95 A96	G89-E95 VanDerWaalsContact O-CA 3.25Å; G89-E95 WeakPolarHBondContact O-CA 3.25Å; G89-A96 PolarHBondContact N-O 3.03Å; G89-A96 PolarHBondContact O-N 2.02Å
90	S	97.8	Very high	97.5	Very high	77 Å²	77	63.3 Å²	63.3	54%	0.538	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	138.9	173.2	-172.3	0	0	0	0	112	F94	S90-F94 WeakPolarHBondContact CA-O 3.45Å; S90-F94 PolarHBondContact OG-O 3.45Å
91	S	97.7	Very high	97.3	Very high	39 Å²	39	65.8 Å²	65.8	27%	0.273	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	141.3	175.7	-176.7	0	0	0	0	109.9	L79 G93 F94	L79-S91 WeakPolarHBondContact O-CB 3.12Å; L79-S91 PolarHBondContact O-OG 3.04Å; S91-G93 PolarHBondContact O-N 2.96Å; S91-G93 VanDerWaalsContact O-N 3.12Å; S91-F94 PolarHBondContact N-O 2.83Å; S91-F94 WeakPolarHBondContact O-CB 3.36Å; S91-F94 PolarHBondContact O-N 2.93Å
92	R	95.4	Very high	97.3	Very high	104 Å²	104	62.5 Å²	62.5	39%	0.392	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	33	177.2	-62.3	-175.7	-79.1	-155.1	-13.2	114.7	L79 F94 K109	L79-R92 VanDerWaalsContact CD2-NE 3.32Å; R92-F94 HydrophobicContact CB-CD2 4.2Å; R92-F94 WeakPolarHBondContact O-CD2 3.36Å; R92-F94 PolarHBondContact O-N 2.77Å; R92-K109 PolarHBondContact O-NZ 2.81Å
93	G	96.5	Very high	97.2	Very high	51 Å²	51	65.6 Å²	65.6	53%	0.526	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	-2.6	-177	0	0	0	0	0	114.9	S91	S91-G93 PolarHBondContact O-N 2.96Å; S91-G93 VanDerWaalsContact O-N 3.12Å
94	F	98	Very high	97.3	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	149.7	167.5	-63.2	-89.5	0	0	0	110.5	L51 L79 F80 S90 S91 R92 L107 R108 K109 D116 Y120	L51-F94 HydrophobicContact CD2-CD1 4.42Å; L51-F94 HydrophobicContact CD2-CE1 3.75Å; L79-F94 HydrophobicContact CD1-CG 4.49Å; L79-F94 HydrophobicContact CD2-CD2 4.27Å; F80-F94 HydrophobicContact CE1-CB 4.04Å; S90-F94 WeakPolarHBondContact CA-O 3.45Å; S90-F94 PolarHBondContact OG-O 3.45Å; S91-F94 PolarHBondContact N-O 2.83Å; S91-F94 WeakPolarHBondContact O-CB 3.36Å; S91-F94 PolarHBondContact O-N 2.93Å; R92-F94 HydrophobicContact CB-CD2 4.2Å; R92-F94 WeakPolarHBondContact O-CD2 3.36Å; R92-F94 PolarHBondContact O-N 2.77Å; F94-L107 HydrophobicContact CB-CD1 3.86Å; F94-L107 HydrophobicContact CB-CG 4.47Å; F94-L107 HydrophobicContact CD1-CD1 4.22Å; F94-L107 HydrophobicContact CD1-CD2 3.81Å; F94-L107 HydrophobicContact CD1-CG 3.92Å; F94-L107 HydrophobicContact CE1-CD2 4.35Å; F94-L107 HydrophobicContact CG-CD1 4.42Å; F94-R108 CarbonylContact C-O 3.44Å; F94-R108 VanDerWaalsContact CA-O 3.3Å; F94-R108 WeakPolarHBondContact CA-O 3.33Å; F94-K109 HydrophobicContact CD1-CB 3.82Å; F94-K109 HydrophobicContact CD1-CD 4.01Å; F94-K109 HydrophobicContact CD1-CG 4.49Å; F94-K109 HydrophobicContact CD2-CD 4.17Å; F94-K109 HydrophobicContact CE1-CB 3.89Å; F94-K109 HydrophobicContact CE1-CD 3.61Å; F94-K109 HydrophobicContact CE1-CG 4.38Å; F94-K109 HydrophobicContact CE2-CD 3.77Å; F94-K109 HydrophobicContact CG-CB 4.5Å; F94-K109 HydrophobicContact CG-CD 4.26Å; F94-K109 HydrophobicContact CZ-CD 3.44Å; F94-K109 VanDerWaalsContact CZ-CD 3.44Å; F94-D116 WeakPolarHBondContact CE2-OD1 3.48Å; F94-D116 HydrophobicContact CZ-CB 4.03Å; F94-D116 WeakPolarHBondContact CZ-OD1 3.16Å; F94-Y120 HydrophobicContact CD1-CE1 4.14Å; F94-Y120 AromaticContact CE1-CE1 3.63Å; F94-Y120 HydrophobicContact CE1-CE1 3.63Å; F94-Y120 AromaticContact CE1-CZ 3.72Å; F94-Y120 HydrophobicContact CE2-CE1 4.23Å; F94-Y120 AromaticContact CZ-CE1 3.72Å; F94-Y120 HydrophobicContact CZ-CE1 3.72Å; F94-Y120 AromaticContact CZ-CZ 3.59Å; F94-Y120 WeakPolarHBondContact CZ-OH 3.46Å
95	E	98.3	Very high	97.3	Very high	65 Å²	65	54.3 Å²	54.3	30%	0.304	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	151.4	175.2	60.5	177.3	-142.3	0	0	111.7	K88 G89 L107 R108	K88-E95 WeakPolarHBondContact CE-OE2 3.44Å; K88-E95 IonicContact NZ-OE1 2.78Å; K88-E95 IonicContact NZ-OE2 2.66Å; K88-E95 PolarHBondContact NZ-OE2 2.81Å; G89-E95 VanDerWaalsContact O-CA 3.25Å; G89-E95 WeakPolarHBondContact O-CA 3.25Å; E95-L107 CarbonylContact O-C 3.51Å; E95-R108 HydrophobicContact CG-CB 4.02Å; E95-R108 PolarHBondContact N-O 2.81Å; E95-R108 PolarHBondContact O-N 2.9Å
96	A	98.5	Very high	97.4	Very high	3 Å²	3	52.7 Å²	52.7	3%	0.025	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	145	165.5	0	0	0	0	0	109.3	F80 K88 G89 F105 H106	F80-A96 HydrophobicContact CE2-CB 3.71Å; F80-A96 HydrophobicContact CZ-CB 4.02Å; K88-A96 CarbonylContact C-O 3.49Å; K88-A96 WeakPolarHBondContact CA-O 3.03Å; G89-A96 PolarHBondContact N-O 3.03Å; G89-A96 PolarHBondContact O-N 2.02Å; A96-F105 HydrophobicContact CB-CD1 4.46Å; A96-F105 HydrophobicContact CB-CD2 3.64Å; A96-F105 HydrophobicContact CB-CE1 4.39Å; A96-F105 HydrophobicContact CB-CE2 3.54Å; A96-F105 HydrophobicContact CB-CG 4.13Å; A96-F105 HydrophobicContact CB-CZ 3.95Å; A96-H106 WeakPolarHBondContact CA-O 3.43Å; A96-H106 WeakPolarHBondContact CB-O 3.42Å
97	T	98.4	Very high	97.4	Very high	64 Å²	64	47.1 Å²	47.1	39%	0.393	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126.8	173.5	-62.4	0	0	0	0	108.4	E87 D99	E87-T97 WeakPolarHBondContact O-CA 3.21Å; T97-D99 PolarHBondContact O-N 2.86Å
98	Y	98	Very high	97.4	Very high	3 Å²	3	49.3 Å²	49.3	1%	0.012	28%	0.281	C	S	.	.			trans	-70	111.7	172.3	-177.8	173.2	0	0	0	107.8	Y57 P63 L65 A82 R84 K86 E87 K100	Y57-Y98 HydrophobicContact CE1-CD2 4.41Å; Y57-Y98 AromaticContact CE1-CE2 3.74Å; Y57-Y98 HydrophobicContact CE1-CE2 3.74Å; Y57-Y98 AromaticContact CZ-CE2 3.84Å; Y57-Y98 WeakPolarHBondContact OH-CE2 3.21Å; Y57-Y98 PolarHBondContact OH-OH 3.48Å; P63-Y98 WeakPolarHBondContact CD-OH 3.25Å; P63-Y98 WeakPolarHBondContact O-CE1 3.47Å; P63-Y98 PolarHBondContact O-OH 2.91Å; L65-Y98 HydrophobicContact CD1-CD1 4.06Å; L65-Y98 HydrophobicContact CD1-CD2 3.64Å; L65-Y98 HydrophobicContact CD1-CE1 4.02Å; L65-Y98 HydrophobicContact CD1-CE2 3.67Å; L65-Y98 HydrophobicContact CD1-CG 3.88Å; A82-Y98 HydrophobicContact CB-CD1 4.11Å; A82-Y98 HydrophobicContact CB-CG 4.46Å; R84-Y98 VanDerWaalsContact O-CD1 3.24Å; R84-Y98 WeakPolarHBondContact O-CD1 3.38Å; K86-Y98 WeakPolarHBondContact CA-O 3.35Å; K86-Y98 PolarHBondContact N-O 2.94Å; E87-Y98 PolarHBondContact O-N 2.87Å; Y98-K100 HydrophobicContact CE2-CB 4.09Å
99	D	97.6	Very high	97.4	Very high	41 Å²	41	44.4 Å²	44.4	22%	0.219	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-108.2	104.5	170.7	-160.3	-40.7	0	0	0	111.1	K86 T97 G101 T102 T103 S104	K86-D99 IonicContact NZ-OD1 2.66Å; K86-D99 PolarHBondContact NZ-OD1 2.92Å; K86-D99 IonicContact NZ-OD2 2.73Å; K86-D99 PolarHBondContact NZ-OD2 2.87Å; T97-D99 PolarHBondContact O-N 2.86Å; D99-G101 VanDerWaalsContact C-N 3.29Å; D99-G101 PolarHBondContact O-N 2.65Å; D99-G101 WeakPolarHBondContact OD1-CA 3.4Å; D99-G101 PolarHBondContact OD1-N 3.44Å; D99-T102 VanDerWaalsContact CB-OG1 3.31Å; D99-T102 WeakPolarHBondContact CB-OG1 3.44Å; D99-T102 VanDerWaalsContact CG-OG1 3.28Å; D99-T102 PolarHBondContact OD1-N 3Å; D99-T103 WeakPolarHBondContact O-CA 3.33Å; D99-T103 PolarHBondContact O-N 3.06Å; D99-S104 PolarHBondContact N-O 3.36Å; D99-S104 PolarHBondContact O-N 3.43Å
100	K	95.7	Very high	97.4	Very high	84 Å²	84	48 Å²	48	37%	0.365	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-29.1	176.2	-173.8	176.6	176.8	-179	0	112.2	D85 Y98 T103	D85-K100 HydrophobicContact CB-CB 3.91Å; D85-K100 WeakPolarHBondContact OD1-CB 3.15Å; D85-K100 PolarHBondContact OD1-N 2.79Å; Y98-K100 HydrophobicContact CE2-CB 4.09Å; K100-T103 PolarHBondContact O-N 3.4Å
101	G	95.6	Very high	97.3	Very high	70 Å²	70	46.8 Å²	46.8	72%	0.722	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-38.1	-178.6	0	0	0	0	0	112.6	D99	D99-G101 VanDerWaalsContact C-N 3.29Å; D99-G101 PolarHBondContact O-N 2.65Å; D99-G101 WeakPolarHBondContact OD1-CA 3.4Å; D99-G101 PolarHBondContact OD1-N 3.44Å
102	T	96.8	Very high	97.2	Very high	83 Å²	83	45 Å²	45	51%	0.509	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	5.7	175.4	55.6	0	0	0	0	113.6	D99 S104	D99-T102 VanDerWaalsContact CB-OG1 3.31Å; D99-T102 WeakPolarHBondContact CB-OG1 3.44Å; D99-T102 VanDerWaalsContact CG-OG1 3.28Å; D99-T102 PolarHBondContact OD1-N 3Å; T102-S104 VanDerWaalsContact C-N 3.31Å; T102-S104 PolarHBondContact O-N 3.4Å; T102-S104 PolarHBondContact OG1-OG 3.22Å
103	T	96.5	Very high	97.2	Very high	64 Å²	64	45 Å²	45	39%	0.393	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	47.2	-177	53.6	0	0	0	0	112.9	N56 Y57 D99 K100	N56-T103 CarbonylContact C-O 3.58Å; N56-T103 VanDerWaalsContact CA-O 3.26Å; N56-T103 WeakPolarHBondContact CA-O 3.44Å; Y57-T103 VanDerWaalsContact CD1-C 3.47Å; Y57-T103 WeakPolarHBondContact CD1-O 3.44Å; Y57-T103 HydrophobicContact CE2-CG2 4.47Å; Y57-T103 PolarHBondContact N-O 2.78Å; Y57-T103 WeakPolarHBondContact O-CB 3.26Å; D99-T103 WeakPolarHBondContact O-CA 3.33Å; D99-T103 PolarHBondContact O-N 3.06Å; K100-T103 PolarHBondContact O-N 3.4Å
104	S	97.7	Very high	96.9	Very high	6 Å²	6	49.7 Å²	49.7	4%	0.042	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-137.7	157.8	-170.4	70.4	0	0	0	0	114.8	C55 N56 D99 T102 H106	C55-S104 WeakPolarHBondContact O-CA 3.43Å; C55-S104 WeakPolarHBondContact O-CB 3.24Å; N56-S104 WeakPolarHBondContact OD1-CB 3.35Å; D99-S104 PolarHBondContact N-O 3.36Å; D99-S104 PolarHBondContact O-N 3.43Å; T102-S104 VanDerWaalsContact C-N 3.31Å; T102-S104 PolarHBondContact O-N 3.4Å; T102-S104 PolarHBondContact OG1-OG 3.22Å; S104-H106 VanDerWaalsContact CB-CE1 3.47Å; S104-H106 WeakPolarHBondContact CB-CE1 3.2Å
105	F	97.8	Very high	96.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	31%	0.307	C	S	.	.			trans	-149.5	56.9	176.9	-168.8	-134.7	0	0	0	110.5	C55 L65 W67 F80 A82 A96 L107	C55-F105 PolarHBondContact O-N 2.66Å; L65-F105 HydrophobicContact CB-CB 4.27Å; L65-F105 HydrophobicContact CB-CD1 3.49Å; L65-F105 VanDerWaalsContact CB-CD1 3.49Å; L65-F105 HydrophobicContact CB-CE1 3.85Å; L65-F105 HydrophobicContact CB-CG 3.94Å; L65-F105 HydrophobicContact CD1-CB 3.81Å; L65-F105 HydrophobicContact CD1-CG 4.2Å; L65-F105 HydrophobicContact CG-CB 4.49Å; W67-F105 AromaticContact CD1-CD1 3.41Å; W67-F105 VanDerWaalsContact CD1-CD1 3.41Å; W67-F105 AromaticContact CD1-CE1 3.25Å; W67-F105 AromaticContact CD1-CZ 4Å; W67-F105 VanDerWaalsContact CE2-O 3.28Å; W67-F105 HydrophobicContact CG-CE1 4.31Å; W67-F105 VanDerWaalsContact CZ2-O 3.26Å; W67-F105 WeakPolarHBondContact CZ2-O 3.44Å; W67-F105 AromaticContact NE1-CD1 3.33Å; W67-F105 VanDerWaalsContact NE1-CD1 3.33Å; W67-F105 AromaticContact NE1-CE1 3.71Å; W67-F105 AromaticContact NE1-CG 3.9Å; W67-F105 PolarHBondContact NE1-O 2.87Å; F80-F105 HydrophobicContact CD2-CE1 4.42Å; F80-F105 AromaticContact CD2-CZ 3.92Å; F80-F105 HydrophobicContact CD2-CZ 3.92Å; F80-F105 HydrophobicContact CE2-CE1 4.24Å; F80-F105 AromaticContact CE2-CZ 3.8Å; F80-F105 HydrophobicContact CE2-CZ 3.8Å; A82-F105 HydrophobicContact CB-CE2 3.64Å; A82-F105 HydrophobicContact CB-CZ 3.65Å; A96-F105 HydrophobicContact CB-CD1 4.46Å; A96-F105 HydrophobicContact CB-CD2 3.64Å; A96-F105 HydrophobicContact CB-CE1 4.39Å; A96-F105 HydrophobicContact CB-CE2 3.54Å; A96-F105 HydrophobicContact CB-CG 4.13Å; A96-F105 HydrophobicContact CB-CZ 3.95Å; F105-L107 PolarHBondContact O-N 2.9Å
106	H	98	Very high	96.6	Very high	42 Å²	42	50.5 Å²	50.5	19%	0.194	29%	0.294	C	S	.	.			trans	-66.5	129.2	-172.9	-51	-40.6	0	0	0	112.5	T52 I53 H54 C55 N56 A96 S104	T52-H106 HydrophobicContact CG2-CB 4.49Å; I53-H106 CarbonylContact O-C 3.55Å; I53-H106 WeakPolarHBondContact O-CA 3Å; H54-H106 WeakPolarHBondContact CA-ND1 3.2Å; H54-H106 AromaticContact ND1-CD2 3.91Å; H54-H106 AromaticContact ND1-CE1 3.52Å; H54-H106 AromaticContact ND1-CG 3.94Å; H54-H106 AromaticContact ND1-ND1 3.75Å; H54-H106 AromaticContact ND1-NE2 3.63Å; C55-H106 PolarHBondContact N-ND1 3.4Å; C55-H106 VanDerWaalsContact N-ND1 3.13Å; C55-H106 PolarHBondContact O-CE1 3.44Å; C55-H106 PolarHBondContact O-ND1 3.29Å; N56-H106 PolarHBondContact OD1-CE1 2.83Å; A96-H106 WeakPolarHBondContact CA-O 3.43Å; A96-H106 WeakPolarHBondContact CB-O 3.42Å; S104-H106 VanDerWaalsContact CB-CE1 3.47Å; S104-H106 WeakPolarHBondContact CB-CE1 3.2Å
107	L	98.2	Very high	96.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	134.2	174.1	-166.2	63.8	0	0	0	109.6	T52 I53 W67 L79 F80 F94 E95 F105 Y120	T52-L107 CarbonylContact C-O 3.55Å; T52-L107 VanDerWaalsContact CA-O 3.31Å; T52-L107 WeakPolarHBondContact CA-O 3.31Å; I53-L107 HydrophobicContact CB-CB 4.17Å; I53-L107 HydrophobicContact CD1-CD2 4.23Å; I53-L107 PolarHBondContact N-O 3.02Å; I53-L107 PolarHBondContact O-N 2.86Å; W67-L107 HydrophobicContact CB-CD1 4.36Å; W67-L107 HydrophobicContact CD2-CB 3.88Å; W67-L107 HydrophobicContact CD2-CD1 3.98Å; W67-L107 HydrophobicContact CD2-CD2 4.13Å; W67-L107 HydrophobicContact CD2-CG 4.23Å; W67-L107 HydrophobicContact CE3-CB 4.16Å; W67-L107 HydrophobicContact CE3-CD2 3.88Å; W67-L107 HydrophobicContact CE3-CG 4.43Å; W67-L107 HydrophobicContact CG-CD1 3.84Å; W67-L107 HydrophobicContact CH2-CB 3.8Å; W67-L107 HydrophobicContact CZ2-CB 3.51Å; W67-L107 HydrophobicContact CZ3-CB 4.12Å; W67-L107 HydrophobicContact CZ3-CD2 4.16Å; L79-L107 HydrophobicContact CD1-CD2 4.39Å; F80-L107 HydrophobicContact CE1-CD1 4.14Å; F80-L107 HydrophobicContact CE2-CD1 4.41Å; F80-L107 HydrophobicContact CZ-CD1 3.51Å; F94-L107 HydrophobicContact CB-CD1 3.86Å; F94-L107 HydrophobicContact CB-CG 4.47Å; F94-L107 HydrophobicContact CD1-CD1 4.22Å; F94-L107 HydrophobicContact CD1-CD2 3.81Å; F94-L107 HydrophobicContact CD1-CG 3.92Å; F94-L107 HydrophobicContact CE1-CD2 4.35Å; F94-L107 HydrophobicContact CG-CD1 4.42Å; E95-L107 CarbonylContact O-C 3.51Å; F105-L107 PolarHBondContact O-N 2.9Å; L107-Y120 HydrophobicContact CD2-CD1 3.36Å; L107-Y120 HydrophobicContact CD2-CE1 3.94Å; L107-Y120 HydrophobicContact CD2-CG 3.94Å
108	R	97.8	Very high	96.2	Very high	115 Å²	115	49.3 Å²	49.3	43%	0.434	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	148.7	177.7	-68.3	175.7	162	178.6	-2.1	110.8	F50 L51 F94 E95	F50-R108 HydrophobicContact CZ-CB 4.19Å; F50-R108 HydrophobicContact CZ-CG 4.06Å; L51-R108 VanDerWaalsContact O-CA 3.28Å; L51-R108 WeakPolarHBondContact O-CA 3.4Å; F94-R108 CarbonylContact C-O 3.44Å; F94-R108 VanDerWaalsContact CA-O 3.3Å; F94-R108 WeakPolarHBondContact CA-O 3.33Å; E95-R108 HydrophobicContact CG-CB 4.02Å; E95-R108 PolarHBondContact N-O 2.81Å; E95-R108 PolarHBondContact O-N 2.9Å
109	K	97.3	Very high	96	Very high	16 Å²	16	50.3 Å²	50.3	7%	0.07	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	129.5	166.5	-178.7	161.1	-178.7	163.4	0	109.1	F50 L51 R92 F94 S111 D116	F50-K109 WeakPolarHBondContact CD2-O 3.28Å; L51-K109 HydrophobicContact CB-CB 4.18Å; L51-K109 HydrophobicContact CD2-CB 4.39Å; L51-K109 PolarHBondContact N-O 2.76Å; L51-K109 PolarHBondContact O-N 3.34Å; L51-K109 VanDerWaalsContact O-N 3.1Å; R92-K109 PolarHBondContact O-NZ 2.81Å; F94-K109 HydrophobicContact CD1-CB 3.82Å; F94-K109 HydrophobicContact CD1-CD 4.01Å; F94-K109 HydrophobicContact CD1-CG 4.49Å; F94-K109 HydrophobicContact CD2-CD 4.17Å; F94-K109 HydrophobicContact CE1-CB 3.89Å; F94-K109 HydrophobicContact CE1-CD 3.61Å; F94-K109 HydrophobicContact CE1-CG 4.38Å; F94-K109 HydrophobicContact CE2-CD 3.77Å; F94-K109 HydrophobicContact CG-CB 4.5Å; F94-K109 HydrophobicContact CG-CD 4.26Å; F94-K109 HydrophobicContact CZ-CD 3.44Å; F94-K109 VanDerWaalsContact CZ-CD 3.44Å; K109-S111 VanDerWaalsContact C-N 3.31Å; K109-S111 WeakPolarHBondContact CE-O 3.38Å; K109-S111 PolarHBondContact O-N 3.49Å; K109-D116 WeakPolarHBondContact CD-OD2 3.42Å; K109-D116 WeakPolarHBondContact CE-OD2 3.43Å; K109-D116 IonicContact NZ-OD1 3.02Å; K109-D116 PolarHBondContact NZ-OD1 3.27Å; K109-D116 IonicContact NZ-OD2 3.79Å; K109-D116 PolarHBondContact NZ-OD2 2.86Å
110	A	97	Very high	96	Very high	81 Å²	81	48.3 Å²	48.3	67%	0.669	28%	0.284	S	S	*	.	S	Bend	trans	-64.3	-36	-172.3	0	0	0	0	0	113.3
111	S	96	Very high	95.9	Very high	51 Å²	51	45.9 Å²	45.9	36%	0.357	27%	0.273	S	S	.	.	S	Bend	trans	-151.5	111.6	-175.7	170.6	0	0	0	0	107.3	E48 K109	E48-S111 WeakPolarHBondContact CA-OG 3.24Å; K109-S111 VanDerWaalsContact C-N 3.31Å; K109-S111 WeakPolarHBondContact CE-O 3.38Å; K109-S111 PolarHBondContact O-N 3.49Å
112	V	95.4	Very high	96	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	24%	0.242	C	C	.	.			trans	-79.7	150	178	-62.7	0	0	0	0	111.6	L2 L45 S46 E48 D49 L51 D116	L2-V112 HydrophobicContact CD2-CB 4.06Å; L2-V112 HydrophobicContact CD2-CG1 4.5Å; L2-V112 HydrophobicContact CD2-CG2 4.06Å; L45-V112 HydrophobicContact CB-CG2 4.09Å; L45-V112 HydrophobicContact CD1-CG1 4.18Å; L45-V112 HydrophobicContact CD1-CG2 4.36Å; S46-V112 WeakPolarHBondContact O-CG2 3.12Å; E48-V112 PolarHBondContact N-O 2.66Å; D49-V112 HydrophobicContact CB-CG2 4.14Å; D49-V112 WeakPolarHBondContact O-CG2 3.47Å; D49-V112 PolarHBondContact O-N 2.83Å; L51-V112 HydrophobicContact CB-CG1 3.52Å; L51-V112 HydrophobicContact CD2-CG1 4.28Å; L51-V112 HydrophobicContact CG-CG1 4.47Å; V112-D116 WeakPolarHBondContact CA-OD2 3.15Å
113	Q	95.2	Very high	96	Very high	105 Å²	105	40.5 Å²	40.5	49%	0.491	23%	0.229	S	C	.	.			trans	-122.7	161.6	174.2	-62.5	174.8	37.2	0	0	109.4	L2 S115 D116	L2-Q113 WeakPolarHBondContact CD1-O 3.37Å; Q113-S115 PolarHBondContact O-N 3.12Å; Q113-S115 VanDerWaalsContact O-N 3.1Å; Q113-D116 PolarHBondContact N-OD2 3.14Å; Q113-D116 VanDerWaalsContact O-CB 3.27Å; Q113-D116 WeakPolarHBondContact O-CB 3.46Å; Q113-D116 PolarHBondContact O-N 2.92Å
114	E	91.6	Very high	95.9	Very high	150 Å²	150	39.5 Å²	39.5	70%	0.701	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-53.7	-33.9	175.4	-173	168.7	-153.8	0	0	113.1	E47 D116 S117	E47-E114 PolarHBondContact OE1-N 3.02Å; E47-E114 VanDerWaalsContact OE1-N 3.08Å; E114-D116 PolarHBondContact O-N 2.82Å; E114-D116 VanDerWaalsContact O-N 3.12Å; E114-S117 WeakPolarHBondContact O-CB 3.46Å; E114-S117 PolarHBondContact O-N 2.97Å; E114-S117 VanDerWaalsContact O-N 3.1Å
115	S	93.4	Very high	95.6	Very high	78 Å²	78	44.6 Å²	44.6	55%	0.545	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-64.7	-10.8	176	63.9	0	0	0	0	114.9	Y71 Q113 S117	Y71-S115 WeakPolarHBondContact CE1-O 3.38Å; Q113-S115 PolarHBondContact O-N 3.12Å; Q113-S115 VanDerWaalsContact O-N 3.1Å; S115-S117 VanDerWaalsContact C-N 3.32Å
116	D	95.3	Very high	95.4	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.021	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-86.6	0.6	174.5	-63.6	-46.3	0	0	0	113.3	F94 K109 V112 Q113 E114 A118 Y120	F94-D116 WeakPolarHBondContact CE2-OD1 3.48Å; F94-D116 HydrophobicContact CZ-CB 4.03Å; F94-D116 WeakPolarHBondContact CZ-OD1 3.16Å; K109-D116 WeakPolarHBondContact CD-OD2 3.42Å; K109-D116 WeakPolarHBondContact CE-OD2 3.43Å; K109-D116 IonicContact NZ-OD1 3.02Å; K109-D116 PolarHBondContact NZ-OD1 3.27Å; K109-D116 IonicContact NZ-OD2 3.79Å; K109-D116 PolarHBondContact NZ-OD2 2.86Å; V112-D116 WeakPolarHBondContact CA-OD2 3.15Å; Q113-D116 PolarHBondContact N-OD2 3.14Å; Q113-D116 VanDerWaalsContact O-CB 3.27Å; Q113-D116 WeakPolarHBondContact O-CB 3.46Å; Q113-D116 PolarHBondContact O-N 2.92Å; E114-D116 PolarHBondContact O-N 2.82Å; E114-D116 VanDerWaalsContact O-N 3.12Å; D116-A118 PolarHBondContact O-N 3.2Å; D116-Y120 PolarHBondContact O-OH 2.9Å
117	S	94.3	Very high	95.3	Very high	37 Å²	37	47.1 Å²	47.1	26%	0.259	27%	0.273	S	S	.	.			trans	-68.4	101.2	177	-158.7	0	0	0	0	110.4	R3 E114 S115	R3-S117 PolarHBondContact N-OG 2.76Å; R3-S117 PolarHBondContact O-OG 2.77Å; R3-S117 VanDerWaalsContact O-OG 3.05Å; E114-S117 WeakPolarHBondContact O-CB 3.46Å; E114-S117 PolarHBondContact O-N 2.97Å; E114-S117 VanDerWaalsContact O-N 3.1Å; S115-S117 VanDerWaalsContact C-N 3.32Å
118	A	95	Very high	95.2	Very high	5 Å²	5	49.7 Å²	49.7	4%	0.041	29%	0.288	C	S	.	.	S	Bend	trans	-155.7	172.5	-177	0	0	0	0	0	111.1	I4 V69 Q70 Y71 D116 Y120	I4-A118 WeakPolarHBondContact CA-O 3.5Å; V69-A118 HydrophobicContact CG2-CB 3.4Å; Q70-A118 WeakPolarHBondContact O-CB 3.36Å; Y71-A118 HydrophobicContact CD1-CB 3.64Å; Y71-A118 HydrophobicContact CE1-CB 3.83Å; Y71-A118 HydrophobicContact CG-CB 4.32Å; D116-A118 PolarHBondContact O-N 3.2Å; A118-Y120 HydrophobicContact CB-CE2 3.86Å
119	V	94.6	Very high	95	Very high	23 Å²	23	45.8 Å²	45.8	14%	0.139	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	135.3	165.3	173.8	0	0	0	0	109.3	M5 V69 Q70 Y121	M5-V119 HydrophobicContact CB-CG2 3.72Å; M5-V119 WeakPolarHBondContact O-CA 3.2Å; M5-V119 WeakPolarHBondContact O-CB 3.45Å; M5-V119 WeakPolarHBondContact O-CG1 3.5Å; M5-V119 WeakPolarHBondContact O-CG2 3.11Å; V69-V119 CarbonylContact C-O 3.55Å; V69-V119 WeakPolarHBondContact CA-O 3.33Å; Q70-V119 HydrophobicContact CB-CB 4.27Å; Q70-V119 PolarHBondContact N-O 2.98Å; Q70-V119 PolarHBondContact O-N 2.83Å; V119-Y121 HydrophobicContact CB-CE2 4.32Å; V119-Y121 HydrophobicContact CG1-CD1 3.95Å; V119-Y121 HydrophobicContact CG1-CD2 4.14Å; V119-Y121 HydrophobicContact CG1-CE1 3.24Å; V119-Y121 HydrophobicContact CG1-CE2 3.54Å; V119-Y121 HydrophobicContact CG1-CG 4.35Å; V119-Y121 VanDerWaalsContact CG1-OH 3.25Å; V119-Y121 WeakPolarHBondContact CG1-OH 3.14Å
120	Y	95.9	Very high	94.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.4	176.3	-64.3	-96.7	0	0	0	110.2	I4 N6 I53 Y68 V69 L79 F94 L107 D116 A118	I4-Y120 HydrophobicContact CD1-CE2 4.32Å; I4-Y120 HydrophobicContact CG1-CD2 4.45Å; I4-Y120 HydrophobicContact CG1-CE2 4.14Å; I4-Y120 HydrophobicContact CG2-CD2 3.73Å; I4-Y120 HydrophobicContact CG2-CE2 4.27Å; N6-Y120 PolarHBondContact OD1-N 3.46Å; N6-Y120 PolarHBondContact OD1-O 2.92Å; N6-Y120 VanDerWaalsContact OD1-O 3.07Å; I53-Y120 HydrophobicContact CD1-CD2 3.88Å; I53-Y120 HydrophobicContact CD1-CG 3.86Å; Y68-Y120 WeakPolarHBondContact O-CA 3.41Å; V69-Y120 HydrophobicContact CB-CD1 4.03Å; V69-Y120 HydrophobicContact CB-CE1 3.91Å; V69-Y120 HydrophobicContact CG2-CD1 3.95Å; V69-Y120 HydrophobicContact CG2-CE1 3.52Å; V69-Y120 HydrophobicContact CG2-CE2 4.36Å; L79-Y120 HydrophobicContact CD1-CD1 3.89Å; L79-Y120 HydrophobicContact CD1-CE1 3.93Å; F94-Y120 HydrophobicContact CD1-CE1 4.14Å; F94-Y120 AromaticContact CE1-CE1 3.63Å; F94-Y120 HydrophobicContact CE1-CE1 3.63Å; F94-Y120 AromaticContact CE1-CZ 3.72Å; F94-Y120 HydrophobicContact CE2-CE1 4.23Å; F94-Y120 AromaticContact CZ-CE1 3.72Å; F94-Y120 HydrophobicContact CZ-CE1 3.72Å; F94-Y120 AromaticContact CZ-CZ 3.59Å; F94-Y120 WeakPolarHBondContact CZ-OH 3.46Å; L107-Y120 HydrophobicContact CD2-CD1 3.36Å; L107-Y120 HydrophobicContact CD2-CE1 3.94Å; L107-Y120 HydrophobicContact CD2-CG 3.94Å; D116-Y120 PolarHBondContact O-OH 2.9Å; A118-Y120 HydrophobicContact CB-CE2 3.86Å
121	Y	95.5	Very high	94.7	Very high	33 Å²	33	45.5 Å²	45.5	13%	0.129	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.8	179.9	-55.2	-68.9	0	0	0	110.7	T7 V8 W67 Y68 Q70 P76 V119	T7-Y121 WeakPolarHBondContact O-CE1 3.46Å; V8-Y121 HydrophobicContact CB-CD1 4.49Å; V8-Y121 HydrophobicContact CB-CE1 4.21Å; V8-Y121 HydrophobicContact CG2-CD1 4.15Å; V8-Y121 HydrophobicContact CG2-CE1 3.47Å; V8-Y121 VanDerWaalsContact CG2-CE1 3.47Å; W67-Y121 WeakPolarHBondContact CA-O 3.33Å; Y68-Y121 PolarHBondContact N-O 3.04Å; Y68-Y121 PolarHBondContact O-N 3.22Å; Q70-Y121 HydrophobicContact CB-CE2 3.91Å; Q70-Y121 VanDerWaalsContact OE1-CE2 3.32Å; Q70-Y121 PolarHBondContact OE1-OH 3.07Å; P76-Y121 HydrophobicContact CG-CE2 4.44Å; V119-Y121 HydrophobicContact CB-CE2 4.32Å; V119-Y121 HydrophobicContact CG1-CD1 3.95Å; V119-Y121 HydrophobicContact CG1-CD2 4.14Å; V119-Y121 HydrophobicContact CG1-CE1 3.24Å; V119-Y121 HydrophobicContact CG1-CE2 3.54Å; V119-Y121 HydrophobicContact CG1-CG 4.35Å; V119-Y121 VanDerWaalsContact CG1-OH 3.25Å; V119-Y121 WeakPolarHBondContact CG1-OH 3.14Å
122	C	96.8	Very high	94.6	Very high	12 Å²	12	45.1 Å²	45.1	8%	0.081	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	134.9	164.2	-166.5	0	0	0	0	109.6	V36 C55 F66 W67	V36-C122 HydrophobicContact CG1-CB 3.85Å; C55-C122 HydrophobicContact CB-CB 3.49Å; C55-C122 VanDerWaalsContact CB-CB 3.49Å; C55-C122 WeakPolarHBondContact CB-SG 3.38Å; C55-C122 WeakPolarHBondContact SG-CB 3.19Å; C55-C122 CovalentContact SG-SG 2.02Å; C55-C122 PolarHBondContact SG-SG 2.98Å; F66-C122 WeakPolarHBondContact O-CA 3.19Å; W67-C122 HydrophobicContact CD2-CB 4.4Å; W67-C122 HydrophobicContact CE3-CB 4.24Å; W67-C122 HydrophobicContact CH2-CB 3.74Å; W67-C122 HydrophobicContact CZ2-CB 3.87Å; W67-C122 HydrophobicContact CZ3-CB 3.92Å
123	A	96.3	Very high	94.6	Very high	28 Å²	28	48.5 Å²	48.5	23%	0.231	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	158.9	178.5	0	0	0	0	0	111.2	L65 F66	L65-A123 WeakPolarHBondContact CA-O 3.3Å; F66-A123 HydrophobicContact CB-CB 4.38Å; F66-A123 PolarHBondContact N-O 3.44Å; F66-A123 PolarHBondContact O-N 3.39Å
124	L	94.6	Very high	94.5	Very high	42 Å²	42	43.8 Å²	43.8	22%	0.22	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	155.3	172.5	67.3	79	0	0	0	111	D34 S35 V36 P63 T64 L65	D34-L124 HydrophobicContact CB-CD1 3.54Å; D34-L124 HydrophobicContact CB-CD2 4.14Å; S35-L124 WeakPolarHBondContact O-CD2 3.29Å; V36-L124 HydrophobicContact CG2-CB 4Å; V36-L124 HydrophobicContact CG2-CD2 3.57Å; V36-L124 HydrophobicContact CG2-CG 3.75Å; P63-L124 HydrophobicContact CB-CB 4.2Å; T64-L124 CarbonylContact O-C 3.44Å; T64-L124 WeakPolarHBondContact O-CA 3.16Å; L65-L124 HydrophobicContact CD2-CB 3.92Å
125	S	90.8	Very high	94.8	Very high	113 Å²	113	34.1 Å²	34.1	79%	0.79	22%	0.223	S	C	*	.			trans	-143.3	0	169.4	178.7	0	0	0	0	111.3	P63 T64	P63-S125 CarbonylContact C-O 3.5Å; P63-S125 WeakPolarHBondContact CA-O 3.42Å; T64-S125 PolarHBondContact N-O 2.95Å; T64-S125 PolarHBondContact O-N 3.26Å

Retrieved 125 of 125 residues in 192.4 ms (Link to these results)

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