A0A075B5T1_MOUSE Loading...

Immunoglobulin heavy variable V12-3

AlphaFold DB , UniProt , Accession A0A075B5T1, Species MOUSE (Mus musculus, Mouse), Gene Ighv12-3, Length 117 aa.

						>A0A075B5T1_MOUSE|A0A075B5T1|Ighv12-3
MRVLGFVCLVTVLPGSLSQMQLQESGPGLVKPSQSLFLTCSITGFPITSGYYWIWIRQSPGKPLEWMGYITHSGETFYNPSLQSPISITRETSKNQFFLQLNSVTTEDTAMYYCAGD
					

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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	50.3	Low	64.2	Low	242 Å²	242	150.6 Å²	150.6	100%	1.192	82%	0.821	S	S	*	*				0	101.5	0	-67.1	168.2	172.9	0	0	108.4
2	R	48.1	Very low	64.4	Low	235 Å²	235	148.4 Å²	148.4	89%	0.887	82%	0.815	S	S	*	*			trans	-127.9	99.3	168.4	-80.3	-167.9	170.4	178.1	-1.8	106.5	L4	R2-L4 HydrophobicContact CB-CD1 4.49Å; R2-L4 PolarHBondContact O-N 2.93Å
3	V	58.2	Low	64	Low	142 Å²	142	149.1 Å²	149.1	86%	0.861	82%	0.816	S	S	*	*			trans	-84.1	98.9	173.8	-177.1	0	0	0	0	105.7	G5	V3-G5 PolarHBondContact O-N 3.37Å
4	L	61.9	Low	63.5	Low	146 Å²	146	146.2 Å²	146.2	76%	0.764	81%	0.808	S	S	*	*			trans	-76.6	108.7	167.2	-99	80	0	0	0	107.3	R2	R2-L4 HydrophobicContact CB-CD1 4.49Å; R2-L4 PolarHBondContact O-N 2.93Å
5	G	66.7	Low	62.8	Low	68 Å²	68	141.6 Å²	141.6	70%	0.701	81%	0.807	S	S	*	*			trans	-72.4	124	172.4	0	0	0	0	0	110.5	V3	V3-G5 PolarHBondContact O-N 3.37Å
6	F	70.6	Confident	62.8	Low	198 Å²	198	138.4 Å²	138.4	87%	0.868	80%	0.797	S	S	*	*			trans	-76	120.8	168.2	-88	-96.9	0	0	0	109.2
7	V	75.7	Confident	62.5	Low	129 Å²	129	140.2 Å²	140.2	78%	0.782	80%	0.802	S	S	*	*			trans	-88.2	112.8	167.7	177.5	0	0	0	0	107.4	L9	V7-L9 PolarHBondContact O-N 3.16Å
8	C	68.8	Low	62.8	Low	116 Å²	116	136.8 Å²	136.8	78%	0.784	79%	0.788	S	S	*	*			trans	-82.4	110.4	169.1	-84	0	0	0	0	109.3
9	L	70.3	Confident	64	Low	149 Å²	149	138.1 Å²	138.1	78%	0.78	79%	0.786	S	S	*	*			trans	-84.4	109.1	168	-137.4	91.8	0	0	0	108.2	V7 T11	V7-L9 PolarHBondContact O-N 3.16Å; L9-T11 HydrophobicContact CD2-CG2 4.47Å; L9-T11 PolarHBondContact O-N 3.18Å
10	V	69.3	Low	65.2	Low	125 Å²	125	133.2 Å²	133.2	76%	0.758	76%	0.757	S	S	*	*			trans	-85.1	101.7	173.8	-175	0	0	0	0	108	V12	V10-V12 HydrophobicContact CG1-CG2 4.43Å; V10-V12 PolarHBondContact O-N 2.86Å
11	T	66.5	Low	66.6	Low	107 Å²	107	132.7 Å²	132.7	66%	0.656	75%	0.748	S	S	*	*			trans	-82.1	104.1	170.3	52.9	0	0	0	0	108.8	L9 L13	L9-T11 HydrophobicContact CD2-CG2 4.47Å; L9-T11 PolarHBondContact O-N 3.18Å; T11-L13 PolarHBondContact O-N 2.89Å
12	V	66.5	Low	68.8	Low	124 Å²	124	123.6 Å²	123.6	75%	0.752	70%	0.704	S	S	*	*			trans	-76	107.3	166.4	-178.3	0	0	0	0	106.8	V10 P14	V10-V12 HydrophobicContact CG1-CG2 4.43Å; V10-V12 PolarHBondContact O-N 2.86Å; V12-P14 VanDerWaalsContact O-CD 3.29Å; V12-P14 WeakPolarHBondContact O-CD 3.32Å
13	L	59.4	Low	71.2	Confident	157 Å²	157	118.9 Å²	118.9	82%	0.822	69%	0.692	S	S	*	*			trans	-79.9	112.8	167.5	-74.9	166.7	0	0	0	107.7	T11 G15	T11-L13 PolarHBondContact O-N 2.89Å; L13-G15 VanDerWaalsContact C-N 3.26Å; L13-G15 PolarHBondContact O-N 3.14Å
14	P	57.1	Low	73.1	Confident	109 Å²	109	115.4 Å²	115.4	71%	0.708	67%	0.666	S	S	*	*			trans	-79.9	85.4	171.3	32.3	-27.6	0	0	0	107.7	V12 S16	V12-P14 VanDerWaalsContact O-CD 3.29Å; V12-P14 WeakPolarHBondContact O-CD 3.32Å; P14-S16 PolarHBondContact O-N 2.97Å
15	G	53	Low	74.8	Confident	77 Å²	77	111.3 Å²	111.3	79%	0.794	65%	0.65	S	S	*	*			trans	-73.4	65.8	156.2	0	0	0	0	0	109.1	L13 L17	L13-G15 VanDerWaalsContact C-N 3.26Å; L13-G15 PolarHBondContact O-N 3.14Å; G15-L17 PolarHBondContact O-N 3.24Å
16	S	61.6	Low	76.3	Confident	91 Å²	91	110.3 Å²	110.3	64%	0.636	64%	0.64	S	S	*	*			trans	-82.8	97.5	177.7	60.6	0	0	0	0	109.1	P14 S18	P14-S16 PolarHBondContact O-N 2.97Å; S16-S18 PolarHBondContact O-N 2.9Å; S16-S18 VanDerWaalsContact O-N 3.12Å
17	L	57.9	Low	77.3	Confident	169 Å²	169	104.5 Å²	104.5	89%	0.885	62%	0.621	S	S	*	*			trans	-55.5	118.9	153.4	-68.2	172.9	0	0	0	106.1	G15 Q19	G15-L17 PolarHBondContact O-N 3.24Å; L17-Q19 PolarHBondContact O-N 2.88Å
18	S	68.6	Low	78.2	Confident	79 Å²	79	102.3 Å²	102.3	55%	0.552	63%	0.625	S	S	*	*			trans	-62.2	106.1	-174.2	-48.1	0	0	0	0	109	S16 F45	S16-S18 PolarHBondContact O-N 2.9Å; S16-S18 VanDerWaalsContact O-N 3.12Å; S18-F45 WeakPolarHBondContact O-CE2 3.35Å
19	Q	86	Confident	79.4	Confident	160 Å²	160	104.5 Å²	104.5	75%	0.748	63%	0.628	S	S	*	*			trans	-68.1	139.3	172.4	-174.8	176.8	-6.1	0	0	108.5	L17 Q21	L17-Q19 PolarHBondContact O-N 2.88Å; Q19-Q21 PolarHBondContact O-N 3.24Å
20	M	88.5	Confident	80.5	Confident	41 Å²	41	99.3 Å²	99.3	20%	0.202	60%	0.603	C	S	.	*			trans	-62.3	132.2	171.8	-171.8	-173.4	-79.9	0	0	109.4	L22 I42 T43 F45 Y51 W53	M20-L22 HydrophobicContact CG-CD1 4.04Å; M20-L22 HydrophobicContact SD-CD1 3.87Å; M20-I42 HydrophobicContact CG-CG2 4.35Å; M20-T43 WeakPolarHBondContact CA-O 3.37Å; M20-F45 HydrophobicContact CB-CD2 3.53Å; M20-F45 HydrophobicContact CB-CE2 3.86Å; M20-F45 HydrophobicContact CE-CB 3.87Å; M20-F45 HydrophobicContact CE-CD2 4Å; M20-F45 HydrophobicContact CE-CG 3.93Å; M20-F45 HydrophobicContact CG-CD2 4.02Å; M20-Y51 HydrophobicContact CE-CD1 4.4Å; M20-Y51 HydrophobicContact CE-CD2 3.64Å; M20-Y51 HydrophobicContact CE-CE1 4.2Å; M20-Y51 HydrophobicContact CE-CE2 3.38Å; M20-Y51 HydrophobicContact CE-CG 4.18Å; M20-W53 HydrophobicContact CE-CH2 3.6Å; M20-W53 HydrophobicContact CE-CZ3 4.27Å; M20-W53 HydrophobicContact SD-CH2 3.86Å; M20-W53 HydrophobicContact SD-CZ3 3.95Å
21	Q	94.5	Very high	81.7	Confident	123 Å²	123	100.5 Å²	100.5	58%	0.575	60%	0.598	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-130.1	144.7	168.9	-42	176.7	-56.6	0	0	109.7	Q19 I42 T43	Q19-Q21 PolarHBondContact O-N 3.24Å; Q21-I42 WeakPolarHBondContact O-CA 3.2Å; Q21-T43 VanDerWaalsContact CB-OG1 3.3Å; Q21-T43 WeakPolarHBondContact CB-OG1 3.37Å; Q21-T43 PolarHBondContact N-O 2.86Å; Q21-T43 VanDerWaalsContact N-O 3.1Å; Q21-T43 PolarHBondContact O-N 3.43Å; Q21-T43 PolarHBondContact OE1-OG1 2.93Å
22	L	96.7	Very high	83	Confident	51 Å²	51	99.4 Å²	99.4	27%	0.267	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.4	137.8	175.8	-68.2	90.1	0	0	0	108.2	M20 S41 W53 C114	M20-L22 HydrophobicContact CG-CD1 4.04Å; M20-L22 HydrophobicContact SD-CD1 3.87Å; L22-S41 WeakPolarHBondContact CA-O 3.49Å; L22-W53 HydrophobicContact CD2-CE3 4.12Å; L22-W53 HydrophobicContact CD2-CZ3 4.01Å; L22-W53 HydrophobicContact CG-CZ3 4.45Å; L22-C114 HydrophobicContact CD2-CB 4.13Å
23	Q	97.5	Very high	84.3	Confident	135 Å²	135	98.2 Å²	98.2	63%	0.631	59%	0.59	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-136.9	113.7	-179.2	-175.5	176.9	5.9	0	0	111.4	C40 S41	Q23-C40 WeakPolarHBondContact O-CA 3.33Å; Q23-S41 PolarHBondContact N-O 3.17Å; Q23-S41 PolarHBondContact O-N 3.39Å
24	E	98.3	Very high	85.9	Confident	70 Å²	70	95.3 Å²	95.3	33%	0.327	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78	145.6	174.5	-54.7	83.6	168.8	0	0	111.8	T39 W55 Y113 C114	E24-T39 CarbonylContact C-O 3.57Å; E24-T39 WeakPolarHBondContact CA-O 3.25Å; E24-W55 HydrophobicContact CG-CZ3 4.24Å; E24-Y113 WeakPolarHBondContact OE1-CA 3.48Å; E24-C114 HydrophobicContact CG-CB 4.27Å; E24-C114 VanDerWaalsContact CG-SG 3.5Å; E24-C114 PolarHBondContact OE1-N 3.34Å; E24-C114 PolarHBondContact OE1-SG 3.35Å; E24-C114 VanDerWaalsContact OE1-SG 3.37Å
25	S	98.2	Very high	87.7	Confident	60 Å²	60	93.2 Å²	93.2	42%	0.42	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-152.8	154.2	172.8	56.8	0	0	0	0	111.2	L38 T39	S25-L38 WeakPolarHBondContact O-CA 3.42Å; S25-T39 PolarHBondContact N-O 2.76Å; S25-T39 PolarHBondContact O-N 2.79Å; S25-T39 PolarHBondContact OG-O 3.4Å
26	G	97.3	Very high	89.8	Confident	47 Å²	47	90.3 Å²	90.3	49%	0.485	53%	0.526	S	S	.	.			trans	177.8	179.1	-177.6	0	0	0	0	0	113.3	G28	G26-G28 PolarHBondContact O-N 3.24Å; G26-G28 VanDerWaalsContact O-N 3.14Å
27	P	92.8	Very high	91.4	Very high	75 Å²	75	90.3 Å²	90.3	49%	0.487	52%	0.515	S	S	.	.			trans	-71.1	-3.4	-171.3	26.6	-35	0	0	0	116.1	L29 V30 L36 F37	P27-L29 PolarHBondContact O-N 3.3Å; P27-V30 HydrophobicContact CB-CG1 4.11Å; P27-V30 HydrophobicContact CG-CG1 3.57Å; P27-L36 HydrophobicContact CG-CD1 3.58Å; P27-F37 WeakPolarHBondContact CD-O 3.31Å
28	G	93	Very high	93.4	Very high	84 Å²	84	83 Å²	83	87%	0.866	48%	0.476	S	S	*	.	S	Bend	trans	70.8	-58.2	178.8	0	0	0	0	0	114.2	G26	G26-G28 PolarHBondContact O-N 3.24Å; G26-G28 VanDerWaalsContact O-N 3.14Å
29	L	94.3	Very high	94.8	Very high	161 Å²	161	80.2 Å²	80.2	84%	0.843	46%	0.456	S	S	*	.			trans	-126.9	133	175.8	-175.4	67.1	0	0	0	110.4	P27	P27-L29 PolarHBondContact O-N 3.3Å
30	V	94.4	Very high	95.4	Very high	40 Å²	40	72.6 Å²	72.6	24%	0.242	42%	0.421	C	S	.	.			trans	-131.3	148.9	175.3	-68.3	0	0	0	0	109.1	P27 L36 V104	P27-V30 HydrophobicContact CB-CG1 4.11Å; P27-V30 HydrophobicContact CG-CG1 3.57Å; V30-L36 HydrophobicContact CG1-CD1 4Å; V30-L36 HydrophobicContact CG2-CB 4.4Å; V30-L36 HydrophobicContact CG2-CD1 4.37Å; V30-V104 HydrophobicContact CG2-CG2 3.79Å
31	K	94.4	Very high	95.9	Very high	150 Å²	150	71.9 Å²	71.9	65%	0.652	42%	0.42	S	S	*	.			trans	-78.6	152.1	175.2	-63.5	-179.8	-179.9	178.8	0	110	Q34 V104	K31-Q34 HydrophobicContact CB-CG 4.06Å; K31-Q34 VanDerWaalsContact O-CB 3.29Å; K31-Q34 WeakPolarHBondContact O-CB 3.29Å; K31-Q34 PolarHBondContact O-N 3.41Å; K31-V104 WeakPolarHBondContact O-CG2 3.36Å
32	P	93.2	Very high	96	Very high	85 Å²	85	66.4 Å²	66.4	55%	0.552	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	149.4	169.9	-26.2	35	0	0	0	112	Q34 V104	P32-Q34 PolarHBondContact O-N 3.26Å; P32-Q34 VanDerWaalsContact O-N 3.16Å; P32-V104 CarbonylContact C-O 3.44Å; P32-V104 WeakPolarHBondContact CA-O 3.35Å
33	S	93.1	Very high	95.9	Very high	99 Å²	99	66.9 Å²	66.9	69%	0.692	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	-2	-175.3	-48	0	0	0	0	116	V104	S33-V104 PolarHBondContact N-O 3.18Å
34	Q	94.7	Very high	95.6	Very high	96 Å²	96	62.5 Å²	62.5	45%	0.449	39%	0.39	S	S	.	.	S	Bend	trans	-82.3	169.5	168.7	-61.2	-170.6	-46.2	0	0	111	K31 P32 S103 V104	K31-Q34 HydrophobicContact CB-CG 4.06Å; K31-Q34 VanDerWaalsContact O-CB 3.29Å; K31-Q34 WeakPolarHBondContact O-CB 3.29Å; K31-Q34 PolarHBondContact O-N 3.41Å; P32-Q34 PolarHBondContact O-N 3.26Å; P32-Q34 VanDerWaalsContact O-N 3.16Å; Q34-S103 PolarHBondContact O-N 2.85Å; Q34-V104 WeakPolarHBondContact O-CG2 3.44Å; Q34-V104 PolarHBondContact O-N 3.14Å
35	S	94.3	Very high	95.2	Very high	65 Å²	65	62.8 Å²	62.8	46%	0.455	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-90.8	137.6	169.6	-62.6	0	0	0	0	110.4	L101 N102	S35-L101 CarbonylContact C-O 3.58Å; S35-L101 VanDerWaalsContact CA-O 3.23Å; S35-L101 WeakPolarHBondContact CA-O 3.46Å; S35-L101 WeakPolarHBondContact CB-O 3.23Å; S35-N102 PolarHBondContact OG-OD1 3.1Å
36	L	95.7	Very high	95.1	Very high	15 Å²	15	63.4 Å²	63.4	8%	0.079	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	131.7	168.3	173.5	64.8	0	0	0	108.4	P27 V30 L38 Q100 L101 V104 Y112	P27-L36 HydrophobicContact CG-CD1 3.58Å; V30-L36 HydrophobicContact CG1-CD1 4Å; V30-L36 HydrophobicContact CG2-CB 4.4Å; V30-L36 HydrophobicContact CG2-CD1 4.37Å; L36-L38 HydrophobicContact CD1-CD2 3.86Å; L36-L38 HydrophobicContact CD1-CG 4.34Å; L36-L38 HydrophobicContact CD2-CD1 4.35Å; L36-L38 HydrophobicContact CD2-CD2 4.45Å; L36-L38 HydrophobicContact CD2-CG 4.32Å; L36-L38 HydrophobicContact CG-CD2 4.19Å; L36-L38 HydrophobicContact CG-CG 4.12Å; L36-Q100 WeakPolarHBondContact O-CA 3.29Å; L36-L101 HydrophobicContact CB-CB 4.3Å; L36-L101 HydrophobicContact CD2-CD1 4.47Å; L36-L101 HydrophobicContact CD2-CD2 4.48Å; L36-L101 PolarHBondContact N-O 2.74Å; L36-L101 PolarHBondContact O-N 2.77Å; L36-V104 HydrophobicContact CB-CG1 3.68Å; L36-Y112 HydrophobicContact CD2-CE2 3.94Å
37	F	97.2	Very high	95	Very high	92 Å²	92	61.2 Å²	61.2	40%	0.404	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120.6	175.5	-173.1	-92.1	0	0	0	109.5	P27 F98 L99 Q100	P27-F37 WeakPolarHBondContact CD-O 3.31Å; F37-F98 HydrophobicContact CE1-CB 4.36Å; F37-F98 AromaticContact CE1-CD1 3.46Å; F37-F98 HydrophobicContact CE1-CD1 3.46Å; F37-F98 VanDerWaalsContact CE1-CD1 3.46Å; F37-F98 HydrophobicContact CE1-CE1 4.05Å; F37-F98 HydrophobicContact CE1-CG 4.16Å; F37-F98 HydrophobicContact CE2-CB 3.85Å; F37-F98 HydrophobicContact CE2-CD1 4.3Å; F37-F98 HydrophobicContact CE2-CG 4.18Å; F37-F98 HydrophobicContact CZ-CB 3.62Å; F37-F98 AromaticContact CZ-CD1 3.25Å; F37-F98 HydrophobicContact CZ-CD1 3.25Å; F37-F98 HydrophobicContact CZ-CD2 4.37Å; F37-F98 AromaticContact CZ-CE1 3.96Å; F37-F98 HydrophobicContact CZ-CE1 3.96Å; F37-F98 AromaticContact CZ-CG 3.49Å; F37-F98 HydrophobicContact CZ-CG 3.49Å; F37-F98 VanDerWaalsContact CZ-CG 3.49Å; F37-L99 WeakPolarHBondContact CA-O 3.41Å; F37-Q100 HydrophobicContact CD2-CB 4.29Å
38	L	98.5	Very high	95.1	Very high	15 Å²	15	60.7 Å²	60.7	8%	0.079	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	147.6	177.8	-57.8	-179.9	0	0	0	110	S25 L36 W55 F98 L99 Y112	S25-L38 WeakPolarHBondContact O-CA 3.42Å; L36-L38 HydrophobicContact CD1-CD2 3.86Å; L36-L38 HydrophobicContact CD1-CG 4.34Å; L36-L38 HydrophobicContact CD2-CD1 4.35Å; L36-L38 HydrophobicContact CD2-CD2 4.45Å; L36-L38 HydrophobicContact CD2-CG 4.32Å; L36-L38 HydrophobicContact CG-CD2 4.19Å; L36-L38 HydrophobicContact CG-CG 4.12Å; L38-W55 HydrophobicContact CB-CH2 3.7Å; L38-W55 HydrophobicContact CB-CZ2 4.23Å; L38-W55 HydrophobicContact CB-CZ3 4.16Å; L38-W55 HydrophobicContact CD1-CH2 4.48Å; L38-W55 HydrophobicContact CD1-CZ3 4.1Å; L38-F98 CarbonylContact O-C 3.5Å; L38-F98 WeakPolarHBondContact O-CA 2.96Å; L38-L99 HydrophobicContact CB-CB 4.34Å; L38-L99 HydrophobicContact CD1-CD2 4.24Å; L38-L99 PolarHBondContact N-O 2.87Å; L38-L99 PolarHBondContact O-N 3.06Å; L38-Y112 HydrophobicContact CD1-CD1 3.61Å; L38-Y112 HydrophobicContact CD1-CD2 3.84Å; L38-Y112 HydrophobicContact CD1-CE1 4.34Å; L38-Y112 HydrophobicContact CD1-CG 3.32Å
39	T	98.7	Very high	95.1	Very high	21 Å²	21	58.9 Å²	58.9	13%	0.129	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.6	176.2	-56.7	0	0	0	0	109.1	E24 S25 Q96 F98	E24-T39 CarbonylContact C-O 3.57Å; E24-T39 WeakPolarHBondContact CA-O 3.25Å; S25-T39 PolarHBondContact N-O 2.76Å; S25-T39 PolarHBondContact O-N 2.79Å; S25-T39 PolarHBondContact OG-O 3.4Å; T39-Q96 HydrophobicContact CG2-CB 4.19Å; T39-Q96 HydrophobicContact CG2-CG 3.89Å; T39-F98 HydrophobicContact CG2-CD1 3.85Å; T39-F98 HydrophobicContact CG2-CE1 3.55Å; T39-F98 WeakPolarHBondContact OG1-CD1 3.37Å; T39-F98 WeakPolarHBondContact OG1-CE1 3.4Å
40	C	98.5	Very high	95	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120.8	163.8	-179.6	0	0	0	0	109.3	Q23 W55 Q96 F97 C114	Q23-C40 WeakPolarHBondContact O-CA 3.33Å; C40-W55 HydrophobicContact CB-CH2 3.9Å; C40-W55 HydrophobicContact CB-CZ2 3.78Å; C40-Q96 VanDerWaalsContact O-CA 3.27Å; C40-Q96 WeakPolarHBondContact O-CA 3.43Å; C40-F97 HydrophobicContact CB-CD1 3.8Å; C40-F97 HydrophobicContact CB-CE1 3.45Å; C40-F97 VanDerWaalsContact CB-CE1 3.45Å; C40-F97 HydrophobicContact CB-CE2 4.44Å; C40-F97 HydrophobicContact CB-CG 4.45Å; C40-F97 HydrophobicContact CB-CZ 3.82Å; C40-F97 PolarHBondContact N-O 2.81Å; C40-F97 PolarHBondContact O-N 2.95Å; C40-F97 WeakPolarHBondContact SG-CE1 3.04Å; C40-C114 HydrophobicContact CB-CB 3.47Å; C40-C114 VanDerWaalsContact CB-CB 3.47Å; C40-C114 WeakPolarHBondContact CB-SG 3.22Å; C40-C114 WeakPolarHBondContact SG-CB 3.08Å; C40-C114 CovalentContact SG-SG 2.03Å; C40-C114 PolarHBondContact SG-SG 3.28Å
41	S	98.1	Very high	95	Very high	26 Å²	26	54.8 Å²	54.8	18%	0.182	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	133.2	176.4	-56.3	0	0	0	0	110.2	L22 Q23 Q96	L22-S41 WeakPolarHBondContact CA-O 3.49Å; Q23-S41 PolarHBondContact N-O 3.17Å; Q23-S41 PolarHBondContact O-N 3.39Å; S41-Q96 WeakPolarHBondContact OG-CG 3.42Å; S41-Q96 PolarHBondContact OG-NE2 2.89Å
42	I	96.5	Very high	95.1	Very high	7 Å²	7	52.5 Å²	52.5	4%	0.036	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	134	178	-58.7	152.9	0	0	0	108.5	M20 Q21 F45 I47 W53 N95 F97	M20-I42 HydrophobicContact CG-CG2 4.35Å; Q21-I42 WeakPolarHBondContact O-CA 3.2Å; I42-F45 WeakPolarHBondContact CG2-O 3.27Å; I42-I47 HydrophobicContact CD1-CB 3.81Å; I42-I47 HydrophobicContact CD1-CD1 3.58Å; I42-I47 HydrophobicContact CD1-CG1 3.47Å; I42-I47 VanDerWaalsContact CD1-CG1 3.47Å; I42-W53 HydrophobicContact CD1-CD2 3.67Å; I42-W53 HydrophobicContact CD1-CE3 3.59Å; I42-W53 HydrophobicContact CD1-CG 4.49Å; I42-W53 HydrophobicContact CD1-CH2 3.55Å; I42-W53 HydrophobicContact CD1-CZ2 3.65Å; I42-W53 HydrophobicContact CD1-CZ3 3.53Å; I42-W53 HydrophobicContact CG1-CE3 4.13Å; I42-W53 HydrophobicContact CG1-CH2 4.01Å; I42-W53 HydrophobicContact CG1-CZ3 3.78Å; I42-W53 HydrophobicContact CG2-CH2 3.86Å; I42-W53 HydrophobicContact CG2-CZ3 4.27Å; I42-N95 PolarHBondContact N-O 2.99Å; I42-N95 PolarHBondContact O-ND2 3.14Å; I42-F97 HydrophobicContact CD1-CD1 4.12Å; I42-F97 HydrophobicContact CD1-CE1 4.31Å
43	T	94.8	Very high	95.3	Very high	62 Å²	62	48.5 Å²	48.5	38%	0.38	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	153.3	170.6	67.3	0	0	0	0	110.1	M20 Q21 F45	M20-T43 WeakPolarHBondContact CA-O 3.37Å; Q21-T43 VanDerWaalsContact CB-OG1 3.3Å; Q21-T43 WeakPolarHBondContact CB-OG1 3.37Å; Q21-T43 PolarHBondContact N-O 2.86Å; Q21-T43 VanDerWaalsContact N-O 3.1Å; Q21-T43 PolarHBondContact O-N 3.43Å; Q21-T43 PolarHBondContact OE1-OG1 2.93Å; T43-F45 VanDerWaalsContact C-N 3.29Å; T43-F45 PolarHBondContact O-N 2.86Å
44	G	92.2	Very high	95.5	Very high	43 Å²	43	45 Å²	45	44%	0.443	26%	0.258	S	S	.	.	S	Bend	trans	86.1	-27.2	179.5	0	0	0	0	0	115.6
45	F	90.5	Very high	95.7	Very high	75 Å²	75	40.4 Å²	40.4	33%	0.329	24%	0.237	S	C	.	.	S	Bend	trans	-139.6	143.2	-179.3	-71.9	-93.9	0	0	0	112.5	S18 M20 I42 T43 N95	S18-F45 WeakPolarHBondContact O-CE2 3.35Å; M20-F45 HydrophobicContact CB-CD2 3.53Å; M20-F45 HydrophobicContact CB-CE2 3.86Å; M20-F45 HydrophobicContact CE-CB 3.87Å; M20-F45 HydrophobicContact CE-CD2 4Å; M20-F45 HydrophobicContact CE-CG 3.93Å; M20-F45 HydrophobicContact CG-CD2 4.02Å; I42-F45 WeakPolarHBondContact CG2-O 3.27Å; T43-F45 VanDerWaalsContact C-N 3.29Å; T43-F45 PolarHBondContact O-N 2.86Å; F45-N95 PolarHBondContact O-ND2 2.96Å; F45-N95 PolarHBondContact O-OD1 3.26Å
46	P	94.3	Very high	95.9	Very high	74 Å²	74	39 Å²	39	48%	0.481	22%	0.224	S	C	.	.			trans	-64.2	139.9	170.4	-18.2	31.1	0	0	0	111.4	T48 S49 N95	P46-T48 PolarHBondContact O-N 3.15Å; P46-S49 VanDerWaalsContact O-CB 3.22Å; P46-S49 WeakPolarHBondContact O-CB 3.36Å; P46-S49 PolarHBondContact O-N 2.8Å; P46-S49 PolarHBondContact O-OG 2.85Å; P46-N95 WeakPolarHBondContact CA-OD1 3.25Å
47	I	95.6	Very high	95.9	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-10.9	176.9	-164.9	166.3	0	0	0	113.2	I42 W53 R90 T92 N95 Q96 F97	I42-I47 HydrophobicContact CD1-CB 3.81Å; I42-I47 HydrophobicContact CD1-CD1 3.58Å; I42-I47 HydrophobicContact CD1-CG1 3.47Å; I42-I47 VanDerWaalsContact CD1-CG1 3.47Å; I47-W53 HydrophobicContact CG1-CD2 4.23Å; I47-W53 HydrophobicContact CG1-CG 4.16Å; I47-W53 HydrophobicContact CG1-CZ2 4.27Å; I47-W53 VanDerWaalsContact CG1-NE1 3.29Å; I47-W53 PolarHBondContact O-NE1 2.87Å; I47-R90 HydrophobicContact CD1-CB 4.37Å; I47-R90 HydrophobicContact CD1-CG 3.43Å; I47-R90 VanDerWaalsContact CD1-CG 3.43Å; I47-R90 VanDerWaalsContact CG1-CD 3.41Å; I47-R90 HydrophobicContact CG1-CG 4.17Å; I47-R90 HydrophobicContact CG2-CG 4.23Å; I47-R90 PolarHBondContact O-NH1 2.83Å; I47-T92 HydrophobicContact CG2-CG2 4.1Å; I47-N95 WeakPolarHBondContact CB-OD1 3.4Å; I47-N95 PolarHBondContact N-OD1 3.18Å; I47-Q96 WeakPolarHBondContact CD1-O 3.43Å; I47-F97 HydrophobicContact CD1-CB 3.83Å; I47-F97 HydrophobicContact CD1-CD1 4.11Å; I47-F97 HydrophobicContact CD1-CG 4.39Å
48	T	95.9	Very high	95.9	Very high	65 Å²	65	38 Å²	38	40%	0.399	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	3.7	175.6	55.7	0	0	0	0	113.4	P46 G50 T92	P46-T48 PolarHBondContact O-N 3.15Å; T48-G50 PolarHBondContact O-N 2.9Å; T48-T92 HydrophobicContact CG2-CG2 3.72Å
49	S	92.9	Very high	95.8	Very high	46 Å²	46	38.7 Å²	38.7	32%	0.322	23%	0.225	S	C	.	.	S	Bend	trans	-80.1	35.8	-170.5	71.3	0	0	0	0	115.4	P46 Y51	P46-S49 VanDerWaalsContact O-CB 3.22Å; P46-S49 WeakPolarHBondContact O-CB 3.36Å; P46-S49 PolarHBondContact O-N 2.8Å; P46-S49 PolarHBondContact O-OG 2.85Å; S49-Y51 WeakPolarHBondContact O-CD2 3.37Å; S49-Y51 PolarHBondContact O-N 2.65Å; S49-Y51 WeakPolarHBondContact OG-CD2 3.49Å; S49-Y51 WeakPolarHBondContact OG-CE2 3.42Å
50	G	92.2	Very high	95.7	Very high	43 Å²	43	42.9 Å²	42.9	44%	0.443	25%	0.253	S	S	.	.	S	Bend	trans	88.3	-12	173.3	0	0	0	0	0	116.5	T48 H72	T48-G50 PolarHBondContact O-N 2.9Å; G50-H72 PolarHBondContact O-ND1 3.29Å
51	Y	92.9	Very high	95.6	Very high	72 Å²	72	47 Å²	47	28%	0.282	30%	0.296	S	S	.	.			trans	-75	160.6	-178.4	-63.6	-79.6	0	0	0	114.2	M20 S49 W53 H72 D117	M20-Y51 HydrophobicContact CE-CD1 4.4Å; M20-Y51 HydrophobicContact CE-CD2 3.64Å; M20-Y51 HydrophobicContact CE-CE1 4.2Å; M20-Y51 HydrophobicContact CE-CE2 3.38Å; M20-Y51 HydrophobicContact CE-CG 4.18Å; S49-Y51 WeakPolarHBondContact O-CD2 3.37Å; S49-Y51 PolarHBondContact O-N 2.65Å; S49-Y51 WeakPolarHBondContact OG-CD2 3.49Å; S49-Y51 WeakPolarHBondContact OG-CE2 3.42Å; Y51-W53 HydrophobicContact CD2-CH2 4.24Å; Y51-W53 HydrophobicContact CD2-CZ2 4.06Å; Y51-W53 HydrophobicContact CG-CH2 4.37Å; Y51-W53 HydrophobicContact CG-CZ2 4.23Å; Y51-H72 PolarHBondContact O-N 2.78Å; Y51-H72 VanDerWaalsContact O-N 3.07Å; Y51-D117 CarbonylContact C-O 3.51Å; Y51-D117 VanDerWaalsContact CA-O 3.29Å; Y51-D117 WeakPolarHBondContact CA-O 3.36Å; Y51-D117 WeakPolarHBondContact CD1-O 3.44Å; Y51-D117 WeakPolarHBondContact CD1-OXT 3.49Å
52	Y	96.8	Very high	95.5	Very high	102 Å²	102	52.2 Å²	52.2	40%	0.4	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	132.2	160.7	-56.2	-84.7	0	0	0	109.5	Y69 T71 G116 D117	Y52-Y69 AromaticContact CD1-CD2 3.75Å; Y52-Y69 HydrophobicContact CD1-CD2 3.75Å; Y52-Y69 AromaticContact CD1-CE2 3.57Å; Y52-Y69 HydrophobicContact CD1-CE2 3.57Å; Y52-Y69 HydrophobicContact CE1-CE2 4.03Å; Y52-Y69 HydrophobicContact CG-CD2 4.48Å; Y52-T71 HydrophobicContact CD1-CG2 3.84Å; Y52-T71 HydrophobicContact CE1-CG2 3.78Å; Y52-G116 WeakPolarHBondContact O-CA 3.28Å; Y52-D117 WeakPolarHBondContact CD2-O 3.29Å; Y52-D117 PolarHBondContact N-O 2.96Å; Y52-D117 PolarHBondContact O-N 3.11Å
53	W	97.7	Very high	95.5	Very high	0 Å²	0	57 Å²	57	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	112.2	-179.6	-57.7	105.1	0	0	0	109.8	M20 L22 I42 I47 Y51 Y69 I70 F97	M20-W53 HydrophobicContact CE-CH2 3.6Å; M20-W53 HydrophobicContact CE-CZ3 4.27Å; M20-W53 HydrophobicContact SD-CH2 3.86Å; M20-W53 HydrophobicContact SD-CZ3 3.95Å; L22-W53 HydrophobicContact CD2-CE3 4.12Å; L22-W53 HydrophobicContact CD2-CZ3 4.01Å; L22-W53 HydrophobicContact CG-CZ3 4.45Å; I42-W53 HydrophobicContact CD1-CD2 3.67Å; I42-W53 HydrophobicContact CD1-CE3 3.59Å; I42-W53 HydrophobicContact CD1-CG 4.49Å; I42-W53 HydrophobicContact CD1-CH2 3.55Å; I42-W53 HydrophobicContact CD1-CZ2 3.65Å; I42-W53 HydrophobicContact CD1-CZ3 3.53Å; I42-W53 HydrophobicContact CG1-CE3 4.13Å; I42-W53 HydrophobicContact CG1-CH2 4.01Å; I42-W53 HydrophobicContact CG1-CZ3 3.78Å; I42-W53 HydrophobicContact CG2-CH2 3.86Å; I42-W53 HydrophobicContact CG2-CZ3 4.27Å; I47-W53 HydrophobicContact CG1-CD2 4.23Å; I47-W53 HydrophobicContact CG1-CG 4.16Å; I47-W53 HydrophobicContact CG1-CZ2 4.27Å; I47-W53 VanDerWaalsContact CG1-NE1 3.29Å; I47-W53 PolarHBondContact O-NE1 2.87Å; Y51-W53 HydrophobicContact CD2-CH2 4.24Å; Y51-W53 HydrophobicContact CD2-CZ2 4.06Å; Y51-W53 HydrophobicContact CG-CH2 4.37Å; Y51-W53 HydrophobicContact CG-CZ2 4.23Å; W53-Y69 CarbonylContact O-C 3.51Å; W53-Y69 WeakPolarHBondContact O-CA 3.28Å; W53-Y69 WeakPolarHBondContact O-CB 3.31Å; W53-I70 HydrophobicContact CB-CG2 3.85Å; W53-I70 PolarHBondContact N-O 2.8Å; W53-I70 PolarHBondContact O-N 2.95Å; W53-F97 HydrophobicContact CB-CD1 3.97Å; W53-F97 HydrophobicContact CB-CD2 3.96Å; W53-F97 HydrophobicContact CB-CE1 3.78Å; W53-F97 HydrophobicContact CB-CE2 3.79Å; W53-F97 HydrophobicContact CB-CG 4.05Å; W53-F97 HydrophobicContact CB-CZ 3.67Å; W53-F97 HydrophobicContact CD2-CE1 4.38Å; W53-F97 HydrophobicContact CE3-CE1 4.1Å; W53-F97 HydrophobicContact CG-CD1 4.35Å; W53-F97 HydrophobicContact CG-CE1 4.29Å
54	I	98.2	Very high	95.6	Very high	25 Å²	25	59 Å²	59	13%	0.128	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	140.2	-161.8	-53.7	175	0	0	0	109.7	I56 W66 C114 A115 D117	I54-I56 HydrophobicContact CG2-CD1 4.34Å; I54-I56 HydrophobicContact CG2-CG1 3.88Å; I54-W66 VanDerWaalsContact CG2-CD1 3.43Å; I54-C114 VanDerWaalsContact O-CA 3.28Å; I54-C114 WeakPolarHBondContact O-CA 3.31Å; I54-A115 HydrophobicContact CB-CB 4.33Å; I54-A115 PolarHBondContact N-O 2.9Å; I54-A115 PolarHBondContact O-N 2.98Å; I54-D117 HydrophobicContact CD1-CB 3.88Å
55	W	98.4	Very high	95.8	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	132.8	165.3	-78.7	103.7	0	0	0	110.9	E24 L38 C40 M67 G68 F97 L99 C114	E24-W55 HydrophobicContact CG-CZ3 4.24Å; L38-W55 HydrophobicContact CB-CH2 3.7Å; L38-W55 HydrophobicContact CB-CZ2 4.23Å; L38-W55 HydrophobicContact CB-CZ3 4.16Å; L38-W55 HydrophobicContact CD1-CH2 4.48Å; L38-W55 HydrophobicContact CD1-CZ3 4.1Å; C40-W55 HydrophobicContact CB-CH2 3.9Å; C40-W55 HydrophobicContact CB-CZ2 3.78Å; W55-M67 HydrophobicContact CB-CB 4.29Å; W55-M67 WeakPolarHBondContact O-CB 3.21Å; W55-M67 PolarHBondContact O-N 3.16Å; W55-G68 PolarHBondContact N-O 2.7Å; W55-F97 AromaticContact CD1-CD2 3.78Å; W55-F97 AromaticContact CD1-CE2 3.48Å; W55-F97 VanDerWaalsContact CD1-CE2 3.48Å; W55-F97 HydrophobicContact CD2-CE2 4.26Å; W55-F97 AromaticContact CE2-CD2 3.97Å; W55-F97 AromaticContact CE2-CE2 3.69Å; W55-F97 HydrophobicContact CG-CE2 4.16Å; W55-F97 HydrophobicContact CZ2-CD2 4.48Å; W55-F97 HydrophobicContact CZ2-CE2 4.34Å; W55-F97 AromaticContact NE1-CD2 3.17Å; W55-F97 AromaticContact NE1-CE2 3.15Å; W55-L99 HydrophobicContact CB-CD1 4.42Å; W55-L99 HydrophobicContact CB-CD2 4.15Å; W55-L99 HydrophobicContact CD2-CB 3.63Å; W55-L99 HydrophobicContact CD2-CD2 3.91Å; W55-L99 HydrophobicContact CD2-CG 4.3Å; W55-L99 VanDerWaalsContact CE2-CB 3.41Å; W55-L99 HydrophobicContact CE3-CB 4.27Å; W55-L99 HydrophobicContact CE3-CD2 4.03Å; W55-L99 HydrophobicContact CG-CB 3.85Å; W55-L99 HydrophobicContact CG-CD1 4.21Å; W55-L99 HydrophobicContact CG-CD2 3.97Å; W55-L99 HydrophobicContact CG-CG 4.23Å; W55-L99 HydrophobicContact CH2-CB 4.49Å; W55-L99 HydrophobicContact CZ2-CB 3.88Å; W55-C114 HydrophobicContact CE3-CB 4.5Å; W55-C114 HydrophobicContact CZ3-CB 4.41Å
56	I	97.9	Very high	96.1	Very high	37 Å²	37	60.3 Å²	60.3	19%	0.19	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	139.9	179.8	-53.6	171.6	0	0	0	107.4	I54 L64 E65 Y112 Y113 A115	I54-I56 HydrophobicContact CG2-CD1 4.34Å; I54-I56 HydrophobicContact CG2-CG1 3.88Å; I56-L64 HydrophobicContact CG2-CB 3.85Å; I56-L64 HydrophobicContact CG2-CD2 3.72Å; I56-L64 HydrophobicContact CG2-CG 4.29Å; I56-E65 WeakPolarHBondContact CA-O 3.09Å; I56-Y112 WeakPolarHBondContact O-CA 3.3Å; I56-Y113 PolarHBondContact N-O 3.37Å; I56-Y113 PolarHBondContact O-N 3.48Å; I56-A115 HydrophobicContact CD1-CB 4.34Å
57	R	96.9	Very high	96.3	Very high	14 Å²	14	56.8 Å²	56.8	5%	0.053	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	155.3	170.6	69.6	177.4	-176.5	178.6	2.7	112.4	E65 M67 D108 A110 M111 Y112	R57-E65 HydrophobicContact CG-CB 4.14Å; R57-E65 IonicContact CZ-OE2 2.8Å; R57-E65 PolarHBondContact N-O 3.2Å; R57-E65 IonicContact NE-OE2 2.72Å; R57-E65 PolarHBondContact NE-OE2 3.25Å; R57-E65 IonicContact NH2-OE1 2.9Å; R57-E65 IonicContact NH2-OE2 3.7Å; R57-E65 PolarHBondContact NH2-OE2 3.16Å; R57-E65 PolarHBondContact O-N 3.49Å; R57-M67 HydrophobicContact CB-CG 4.28Å; R57-M67 HydrophobicContact CB-SD 3.66Å; R57-M67 HydrophobicContact CG-CG 3.9Å; R57-M67 HydrophobicContact CG-SD 3.73Å; R57-D108 IonicContact NH1-OD1 2.7Å; R57-D108 PolarHBondContact NH1-OD1 3.43Å; R57-A110 HydrophobicContact CB-CB 4.01Å; R57-M111 CarbonylContact C-O 3.5Å; R57-M111 VanDerWaalsContact CA-O 3.23Å; R57-M111 WeakPolarHBondContact CA-O 3.39Å; R57-Y112 HydrophobicContact CB-CD1 3.86Å; R57-Y112 HydrophobicContact CB-CE1 3.88Å; R57-Y112 HydrophobicContact CB-CG 4.43Å
58	Q	97.3	Very high	96.4	Very high	72 Å²	72	56.8 Å²	56.8	34%	0.336	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	104.4	173.6	-165	178.2	19.2	0	0	110.3	K62 L64 A110 M111 Y113	Q58-K62 WeakPolarHBondContact CG-O 3.29Å; Q58-K62 PolarHBondContact NE2-O 2.72Å; Q58-L64 HydrophobicContact CB-CD2 3.89Å; Q58-L64 HydrophobicContact CG-CD2 4.25Å; Q58-A110 WeakPolarHBondContact O-CA 3.39Å; Q58-A110 WeakPolarHBondContact O-CB 3.37Å; Q58-M111 PolarHBondContact N-O 3.37Å; Q58-M111 PolarHBondContact O-N 3.29Å; Q58-Y113 HydrophobicContact CB-CE2 3.95Å
59	S	95.7	Very high	96.5	Very high	28 Å²	28	56.2 Å²	56.2	20%	0.196	31%	0.314	C	S	.	.			trans	-69.8	151.1	170.2	-53.3	0	0	0	0	110.4	G61 K62	S59-G61 PolarHBondContact O-N 2.86Å; S59-G61 VanDerWaalsContact O-N 3.16Å; S59-K62 WeakPolarHBondContact O-CB 3.44Å; S59-K62 PolarHBondContact O-N 3.07Å
60	P	96.4	Very high	96.7	Very high	109 Å²	109	54.3 Å²	54.3	71%	0.708	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	122.6	178.7	-27.8	35.2	0	0	0	112.5	K62 T109	P60-K62 VanDerWaalsContact C-N 3.28Å; P60-K62 PolarHBondContact O-N 3Å; P60-T109 WeakPolarHBondContact CD-O 3.42Å
61	G	96.8	Very high	97	Very high	88 Å²	88	52.5 Å²	52.5	91%	0.907	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	12	179.7	0	0	0	0	0	115.6	S59	S59-G61 PolarHBondContact O-N 2.86Å; S59-G61 VanDerWaalsContact O-N 3.16Å
62	K	95.9	Very high	97	Very high	135 Å²	135	52.9 Å²	52.9	59%	0.587	29%	0.285	S	S	*	.	S	Bend	trans	-110.6	156.9	177.3	-63.1	-63.6	-174.7	174.3	0	111.6	Q58 S59 P60	Q58-K62 WeakPolarHBondContact CG-O 3.29Å; Q58-K62 PolarHBondContact NE2-O 2.72Å; S59-K62 WeakPolarHBondContact O-CB 3.44Å; S59-K62 PolarHBondContact O-N 3.07Å; P60-K62 VanDerWaalsContact C-N 3.28Å; P60-K62 PolarHBondContact O-N 3Å
63	P	96.2	Very high	96.9	Very high	106 Å²	106	51.5 Å²	51.5	69%	0.688	29%	0.29	S	S	*	.			trans	-64.3	168.4	169.6	29.8	-36.2	0	0	0	111.1
64	L	97	Very high	96.8	Very high	106 Å²	106	53.1 Å²	53.1	56%	0.555	31%	0.307	S	S	*	.			trans	-63.3	134.5	170.9	-68.3	166.6	0	0	0	110.2	I56 Q58 Y113	I56-L64 HydrophobicContact CG2-CB 3.85Å; I56-L64 HydrophobicContact CG2-CD2 3.72Å; I56-L64 HydrophobicContact CG2-CG 4.29Å; Q58-L64 HydrophobicContact CB-CD2 3.89Å; Q58-L64 HydrophobicContact CG-CD2 4.25Å; L64-Y113 HydrophobicContact CD2-CD2 4.16Å; L64-Y113 HydrophobicContact CD2-CE2 4.22Å
65	E	96.7	Very high	96.8	Very high	53 Å²	53	57.6 Å²	57.6	25%	0.248	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	117.7	175.2	-178.1	179.8	-158.7	0	0	109.1	I56 R57 M67	I56-E65 WeakPolarHBondContact CA-O 3.09Å; R57-E65 HydrophobicContact CG-CB 4.14Å; R57-E65 IonicContact CZ-OE2 2.8Å; R57-E65 PolarHBondContact N-O 3.2Å; R57-E65 IonicContact NE-OE2 2.72Å; R57-E65 PolarHBondContact NE-OE2 3.25Å; R57-E65 IonicContact NH2-OE1 2.9Å; R57-E65 IonicContact NH2-OE2 3.7Å; R57-E65 PolarHBondContact NH2-OE2 3.16Å; R57-E65 PolarHBondContact O-N 3.49Å; E65-M67 PolarHBondContact O-N 2.99Å
66	W	97	Very high	96.8	Very high	91 Å²	91	60.1 Å²	60.1	35%	0.345	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	129.7	170.1	173.6	73.8	0	0	0	109.6	I54 G68 Y69 Y78 N79	I54-W66 VanDerWaalsContact CG2-CD1 3.43Å; W66-G68 PolarHBondContact NE1-O 2.92Å; W66-Y69 AromaticContact CZ2-CD1 3.56Å; W66-Y69 HydrophobicContact CZ2-CD1 3.56Å; W66-Y69 HydrophobicContact CZ2-CE1 4.02Å; W66-Y78 VanDerWaalsContact CH2-C 3.48Å; W66-N79 HydrophobicContact CD2-CB 4.43Å; W66-N79 HydrophobicContact CE3-CB 3.49Å; W66-N79 VanDerWaalsContact CE3-CB 3.49Å; W66-N79 HydrophobicContact CH2-CB 4.46Å; W66-N79 HydrophobicContact CZ3-CB 3.54Å; W66-N79 VanDerWaalsContact O-CB 3.25Å; W66-N79 WeakPolarHBondContact O-CB 3.49Å; W66-N79 PolarHBondContact O-ND2 2.8Å
67	M	97.2	Very high	96.8	Very high	0 Å²	0	63 Å²	63	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-41.3	-178.5	-60.6	-174.6	70.3	0	0	112.3	W55 R57 E65 N79 L82 I86 L99 L101 Y112	W55-M67 HydrophobicContact CB-CB 4.29Å; W55-M67 WeakPolarHBondContact O-CB 3.21Å; W55-M67 PolarHBondContact O-N 3.16Å; R57-M67 HydrophobicContact CB-CG 4.28Å; R57-M67 HydrophobicContact CB-SD 3.66Å; R57-M67 HydrophobicContact CG-CG 3.9Å; R57-M67 HydrophobicContact CG-SD 3.73Å; E65-M67 PolarHBondContact O-N 2.99Å; M67-N79 WeakPolarHBondContact O-CB 3.23Å; M67-N79 PolarHBondContact O-N 3.22Å; M67-L82 HydrophobicContact CB-CD1 4.06Å; M67-L82 HydrophobicContact CE-CD1 4.49Å; M67-L82 HydrophobicContact CE-CD2 4.39Å; M67-L82 HydrophobicContact CG-CD2 4.28Å; M67-L82 VanDerWaalsContact O-CD1 3.29Å; M67-L82 WeakPolarHBondContact O-CD1 3.39Å; M67-I86 HydrophobicContact CB-CD1 3.95Å; M67-I86 HydrophobicContact CE-CD1 4.31Å; M67-I86 HydrophobicContact CE-CG2 3.92Å; M67-L99 HydrophobicContact CE-CD1 4.46Å; M67-L99 HydrophobicContact CE-CD2 3.91Å; M67-L99 HydrophobicContact SD-CD2 3.81Å; M67-L101 HydrophobicContact CE-CD1 4.21Å; M67-L101 HydrophobicContact CE-CD2 4.42Å; M67-L101 HydrophobicContact CE-CG 4.5Å; M67-Y112 HydrophobicContact CE-CE1 4.02Å; M67-Y112 HydrophobicContact SD-CD1 3.87Å; M67-Y112 HydrophobicContact SD-CE1 3.74Å
68	G	97.8	Very high	96.8	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.3	173.5	-174.4	0	0	0	0	0	111.5	W55 W66 F77 I88	W55-G68 PolarHBondContact N-O 2.7Å; W66-G68 PolarHBondContact NE1-O 2.92Å; G68-F77 CarbonylContact C-O 3.45Å; G68-F77 WeakPolarHBondContact CA-O 3.49Å; G68-I88 VanDerWaalsContact C-CD1 3.42Å
69	Y	98.1	Very high	96.7	Very high	53 Å²	53	64.6 Å²	64.6	21%	0.208	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	162.1	170	68.3	-103.6	0	0	0	111.9	Y52 W53 W66 T71 T76 F77	Y52-Y69 AromaticContact CD1-CD2 3.75Å; Y52-Y69 HydrophobicContact CD1-CD2 3.75Å; Y52-Y69 AromaticContact CD1-CE2 3.57Å; Y52-Y69 HydrophobicContact CD1-CE2 3.57Å; Y52-Y69 HydrophobicContact CE1-CE2 4.03Å; Y52-Y69 HydrophobicContact CG-CD2 4.48Å; W53-Y69 CarbonylContact O-C 3.51Å; W53-Y69 WeakPolarHBondContact O-CA 3.28Å; W53-Y69 WeakPolarHBondContact O-CB 3.31Å; W66-Y69 AromaticContact CZ2-CD1 3.56Å; W66-Y69 HydrophobicContact CZ2-CD1 3.56Å; W66-Y69 HydrophobicContact CZ2-CE1 4.02Å; Y69-T71 HydrophobicContact CD2-CG2 4.21Å; Y69-T71 HydrophobicContact CE2-CG2 3.73Å; Y69-T76 WeakPolarHBondContact O-CA 3.33Å; Y69-F77 HydrophobicContact CD1-CB 4.18Å; Y69-F77 HydrophobicContact CD2-CB 4.49Å; Y69-F77 HydrophobicContact CD2-CD2 4.24Å; Y69-F77 HydrophobicContact CE1-CB 3.67Å; Y69-F77 HydrophobicContact CE1-CD2 4.32Å; Y69-F77 HydrophobicContact CE1-CG 4.13Å; Y69-F77 HydrophobicContact CE2-CB 4.03Å; Y69-F77 AromaticContact CE2-CD2 3.31Å; Y69-F77 HydrophobicContact CE2-CD2 3.31Å; Y69-F77 HydrophobicContact CE2-CE2 4.05Å; Y69-F77 AromaticContact CE2-CG 3.95Å; Y69-F77 HydrophobicContact CE2-CG 3.95Å; Y69-F77 AromaticContact CZ-CD2 3.36Å; Y69-F77 AromaticContact CZ-CG 3.56Å; Y69-F77 PolarHBondContact N-O 2.77Å; Y69-F77 PolarHBondContact O-N 3.38Å; Y69-F77 WeakPolarHBondContact OH-CD2 3.34Å; Y69-F77 WeakPolarHBondContact OH-CG 3.37Å
70	I	98.4	Very high	96.6	Very high	7 Å²	7	69.2 Å²	69.2	4%	0.036	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.2	166.2	-171.8	166.6	0	0	0	109.9	W53 E75 T76 I88 R90 F97	W53-I70 HydrophobicContact CB-CG2 3.85Å; W53-I70 PolarHBondContact N-O 2.8Å; W53-I70 PolarHBondContact O-N 2.95Å; I70-E75 CarbonylContact C-O 3.46Å; I70-E75 VanDerWaalsContact CA-O 3.29Å; I70-E75 WeakPolarHBondContact CA-O 3.47Å; I70-T76 HydrophobicContact CB-CG2 4.17Å; I70-T76 HydrophobicContact CD1-CG2 3.98Å; I70-T76 HydrophobicContact CG1-CG2 3.94Å; I70-I88 HydrophobicContact CB-CG2 3.78Å; I70-I88 HydrophobicContact CG2-CG2 3.74Å; I70-R90 HydrophobicContact CD1-CB 3.91Å; I70-F97 HydrophobicContact CG2-CB 4.3Å; I70-F97 HydrophobicContact CG2-CD2 4.23Å
71	T	97	Very high	96.4	Very high	5 Å²	5	68.2 Å²	68.2	3%	0.031	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	164.3	178.3	69.6	0	0	0	0	111.1	Y52 Y69 S73 G74 E75 F77	Y52-T71 HydrophobicContact CD1-CG2 3.84Å; Y52-T71 HydrophobicContact CE1-CG2 3.78Å; Y69-T71 HydrophobicContact CD2-CG2 4.21Å; Y69-T71 HydrophobicContact CE2-CG2 3.73Å; T71-S73 PolarHBondContact O-N 3.39Å; T71-S73 PolarHBondContact OG1-N 2.8Å; T71-S73 PolarHBondContact OG1-OG 2.86Å; T71-G74 PolarHBondContact O-N 3.32Å; T71-G74 PolarHBondContact OG1-N 2.79Å; T71-G74 VanDerWaalsContact OG1-N 3.14Å; T71-E75 HydrophobicContact CG2-CB 3.95Å; T71-E75 PolarHBondContact N-O 2.94Å; T71-E75 PolarHBondContact OG1-N 2.9Å; T71-F77 HydrophobicContact CG2-CE2 4.49Å
72	H	93.7	Very high	96.1	Very high	79 Å²	79	65.4 Å²	65.4	37%	0.366	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-27.9	169.8	71	-88.4	0	0	0	113.4	G50 Y51 R90	G50-H72 PolarHBondContact O-ND1 3.29Å; Y51-H72 PolarHBondContact O-N 2.78Å; Y51-H72 VanDerWaalsContact O-N 3.07Å; H72-R90 VanDerWaalsContact O-CZ 3.27Å; H72-R90 PolarHBondContact O-NH1 3.4Å; H72-R90 PolarHBondContact O-NH2 2.95Å
73	S	95	Very high	95.3	Very high	74 Å²	74	65.7 Å²	65.7	52%	0.517	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-11.9	175.6	58.5	0	0	0	0	113.5	T71	T71-S73 PolarHBondContact O-N 3.39Å; T71-S73 PolarHBondContact OG1-N 2.8Å; T71-S73 PolarHBondContact OG1-OG 2.86Å
74	G	96	Very high	94.6	Very high	33 Å²	33	61.2 Å²	61.2	34%	0.34	32%	0.323	S	S	.	.	S	Bend	trans	97.7	7.8	177.4	0	0	0	0	0	115	T71	T71-G74 PolarHBondContact O-N 3.32Å; T71-G74 PolarHBondContact OG1-N 2.79Å; T71-G74 VanDerWaalsContact OG1-N 3.14Å
75	E	97.4	Very high	94.3	Very high	119 Å²	119	60.5 Å²	60.5	56%	0.556	33%	0.325	S	S	*	.			trans	-74.6	140.4	173.7	-62.2	175.3	147.7	0	0	110.2	I70 T71 F77	I70-E75 CarbonylContact C-O 3.46Å; I70-E75 VanDerWaalsContact CA-O 3.29Å; I70-E75 WeakPolarHBondContact CA-O 3.47Å; T71-E75 HydrophobicContact CG2-CB 3.95Å; T71-E75 PolarHBondContact N-O 2.94Å; T71-E75 PolarHBondContact OG1-N 2.9Å; E75-F77 HydrophobicContact CB-CE2 4.13Å
76	T	98.1	Very high	94.3	Very high	53 Å²	53	59.1 Å²	59.1	33%	0.325	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	137.1	-177.1	58.6	0	0	0	0	111.6	Y69 I70 Y78 I88	Y69-T76 WeakPolarHBondContact O-CA 3.33Å; I70-T76 HydrophobicContact CB-CG2 4.17Å; I70-T76 HydrophobicContact CD1-CG2 3.98Å; I70-T76 HydrophobicContact CG1-CG2 3.94Å; T76-Y78 WeakPolarHBondContact CB-OH 3.32Å; T76-Y78 WeakPolarHBondContact OG1-CE2 3.48Å; T76-Y78 PolarHBondContact OG1-OH 3.31Å; T76-I88 WeakPolarHBondContact CG2-O 3.2Å
77	F	97.3	Very high	94.4	Very high	98 Å²	98	56.7 Å²	56.7	43%	0.43	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141.4	174.3	-67.8	-100.4	0	0	0	109.6	G68 Y69 T71 E75	G68-F77 CarbonylContact C-O 3.45Å; G68-F77 WeakPolarHBondContact CA-O 3.49Å; Y69-F77 HydrophobicContact CD1-CB 4.18Å; Y69-F77 HydrophobicContact CD2-CB 4.49Å; Y69-F77 HydrophobicContact CD2-CD2 4.24Å; Y69-F77 HydrophobicContact CE1-CB 3.67Å; Y69-F77 HydrophobicContact CE1-CD2 4.32Å; Y69-F77 HydrophobicContact CE1-CG 4.13Å; Y69-F77 HydrophobicContact CE2-CB 4.03Å; Y69-F77 AromaticContact CE2-CD2 3.31Å; Y69-F77 HydrophobicContact CE2-CD2 3.31Å; Y69-F77 HydrophobicContact CE2-CE2 4.05Å; Y69-F77 AromaticContact CE2-CG 3.95Å; Y69-F77 HydrophobicContact CE2-CG 3.95Å; Y69-F77 AromaticContact CZ-CD2 3.36Å; Y69-F77 AromaticContact CZ-CG 3.56Å; Y69-F77 PolarHBondContact N-O 2.77Å; Y69-F77 PolarHBondContact O-N 3.38Å; Y69-F77 WeakPolarHBondContact OH-CD2 3.34Å; Y69-F77 WeakPolarHBondContact OH-CG 3.37Å; T71-F77 HydrophobicContact CG2-CE2 4.49Å; E75-F77 HydrophobicContact CB-CE2 4.13Å
78	Y	97.2	Very high	94.4	Very high	91 Å²	91	56.9 Å²	56.9	36%	0.357	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	149.5	-171.3	-57.2	-77	0	0	0	110.8	W66 T76 P80 I86 I88	W66-Y78 VanDerWaalsContact CH2-C 3.48Å; T76-Y78 WeakPolarHBondContact CB-OH 3.32Å; T76-Y78 WeakPolarHBondContact OG1-CE2 3.48Å; T76-Y78 PolarHBondContact OG1-OH 3.31Å; Y78-P80 WeakPolarHBondContact O-CD 3.41Å; Y78-I86 HydrophobicContact CD1-CD1 3.8Å; Y78-I86 HydrophobicContact CD1-CG1 3.59Å; Y78-I86 HydrophobicContact CE1-CD1 4.33Å; Y78-I86 HydrophobicContact CE1-CG1 3.96Å; Y78-I88 HydrophobicContact CD1-CD1 4.46Å; Y78-I88 HydrophobicContact CE1-CB 4.38Å; Y78-I88 HydrophobicContact CE1-CD1 4.25Å; Y78-I88 HydrophobicContact CE1-CG1 4.09Å
79	N	96	Very high	94.4	Very high	28 Å²	28	59.8 Å²	59.8	15%	0.15	34%	0.335	C	S	.	.			trans	-72.1	117.8	170.5	-177.9	-12	0	0	0	109.9	W66 M67 S81 L82	W66-N79 HydrophobicContact CD2-CB 4.43Å; W66-N79 HydrophobicContact CE3-CB 3.49Å; W66-N79 VanDerWaalsContact CE3-CB 3.49Å; W66-N79 HydrophobicContact CH2-CB 4.46Å; W66-N79 HydrophobicContact CZ3-CB 3.54Å; W66-N79 VanDerWaalsContact O-CB 3.25Å; W66-N79 WeakPolarHBondContact O-CB 3.49Å; W66-N79 PolarHBondContact O-ND2 2.8Å; M67-N79 WeakPolarHBondContact O-CB 3.23Å; M67-N79 PolarHBondContact O-N 3.22Å; N79-S81 PolarHBondContact O-N 3.31Å; N79-S81 VanDerWaalsContact O-N 3.16Å; N79-S81 VanDerWaalsContact OD1-CB 3.28Å; N79-S81 WeakPolarHBondContact OD1-CB 3.34Å; N79-S81 PolarHBondContact OD1-N 3.15Å; N79-S81 PolarHBondContact OD1-OG 3.17Å; N79-L82 HydrophobicContact CB-CD1 4.15Å; N79-L82 HydrophobicContact CB-CG 3.96Å; N79-L82 PolarHBondContact O-N 3.27Å
80	P	94.4	Very high	94.4	Very high	126 Å²	126	60 Å²	60	82%	0.818	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-13.6	-178.9	29.4	-36.5	0	0	0	113.4	Y78	Y78-P80 WeakPolarHBondContact O-CD 3.41Å
81	S	91	Very high	94.3	Very high	88 Å²	88	62.6 Å²	62.6	62%	0.615	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-4.2	179.5	-48.6	0	0	0	0	113.6	N79 Q83	N79-S81 PolarHBondContact O-N 3.31Å; N79-S81 VanDerWaalsContact O-N 3.16Å; N79-S81 VanDerWaalsContact OD1-CB 3.28Å; N79-S81 WeakPolarHBondContact OD1-CB 3.34Å; N79-S81 PolarHBondContact OD1-N 3.15Å; N79-S81 PolarHBondContact OD1-OG 3.17Å; S81-Q83 PolarHBondContact O-N 2.87Å
82	L	89.8	Confident	94.3	Very high	28 Å²	28	65.9 Å²	65.9	15%	0.147	37%	0.367	C	S	.	.			trans	-68.6	129.8	178.6	-71.2	172.1	0	0	0	110.8	M67 N79 I86	M67-L82 HydrophobicContact CB-CD1 4.06Å; M67-L82 HydrophobicContact CE-CD1 4.49Å; M67-L82 HydrophobicContact CE-CD2 4.39Å; M67-L82 HydrophobicContact CG-CD2 4.28Å; M67-L82 VanDerWaalsContact O-CD1 3.29Å; M67-L82 WeakPolarHBondContact O-CD1 3.39Å; N79-L82 HydrophobicContact CB-CD1 4.15Å; N79-L82 HydrophobicContact CB-CG 3.96Å; N79-L82 PolarHBondContact O-N 3.27Å; L82-I86 HydrophobicContact CD1-CD1 3.49Å; L82-I86 VanDerWaalsContact CD1-CD1 3.49Å; L82-I86 HydrophobicContact CD1-CG1 3.95Å; L82-I86 HydrophobicContact CD1-CG2 4.18Å
83	Q	80	Confident	94.4	Very high	142 Å²	142	67.2 Å²	67.2	66%	0.664	39%	0.386	S	S	*	.	S	Bend	trans	-74.2	-38.1	177.5	-62.3	-170.7	56.4	0	0	112.4	S81 E107	S81-Q83 PolarHBondContact O-N 2.87Å; Q83-E107 VanDerWaalsContact CD-OE2 3.28Å; Q83-E107 PolarHBondContact NE2-OE2 2.78Å; Q83-E107 PolarHBondContact OE1-OE2 3.03Å
84	S	81.5	Confident	94.5	Very high	12 Å²	12	69.5 Å²	69.5	8%	0.084	39%	0.386	C	S	.	.	S	Bend	trans	-95.5	131.9	-178.8	-62.8	0	0	0	0	110.4	I86 D108	S84-I86 WeakPolarHBondContact O-CG2 3.46Å; S84-I86 PolarHBondContact O-N 2.92Å; S84-D108 PolarHBondContact OG-OD1 2.94Å; S84-D108 PolarHBondContact OG-OD2 2.77Å
85	P	91.7	Very high	94.5	Very high	90 Å²	90	69.5 Å²	69.5	58%	0.584	38%	0.378	S	S	*	.			trans	-66	131.3	176.3	27.2	-33.1	0	0	0	110.1	N102	P85-N102 PolarHBondContact O-N 2.91Å
86	I	96.4	Very high	94.6	Very high	25 Å²	25	65.8 Å²	65.8	13%	0.128	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	158.9	179.3	71.5	168.1	0	0	0	111.5	M67 Y78 L82 S84 I88 L99 Q100 L101	M67-I86 HydrophobicContact CB-CD1 3.95Å; M67-I86 HydrophobicContact CE-CD1 4.31Å; M67-I86 HydrophobicContact CE-CG2 3.92Å; Y78-I86 HydrophobicContact CD1-CD1 3.8Å; Y78-I86 HydrophobicContact CD1-CG1 3.59Å; Y78-I86 HydrophobicContact CE1-CD1 4.33Å; Y78-I86 HydrophobicContact CE1-CG1 3.96Å; L82-I86 HydrophobicContact CD1-CD1 3.49Å; L82-I86 VanDerWaalsContact CD1-CD1 3.49Å; L82-I86 HydrophobicContact CD1-CG1 3.95Å; L82-I86 HydrophobicContact CD1-CG2 4.18Å; S84-I86 WeakPolarHBondContact O-CG2 3.46Å; S84-I86 PolarHBondContact O-N 2.92Å; I86-I88 HydrophobicContact CD1-CD1 4.37Å; I86-I88 HydrophobicContact CD1-CG1 4.47Å; I86-L99 HydrophobicContact CB-CD1 4.05Å; I86-L99 HydrophobicContact CD1-CD1 3.86Å; I86-L99 HydrophobicContact CG1-CD1 4.46Å; I86-Q100 CarbonylContact C-O 3.53Å; I86-Q100 VanDerWaalsContact CA-O 3.25Å; I86-Q100 WeakPolarHBondContact CA-O 3.19Å; I86-L101 HydrophobicContact CG2-CD1 4.24Å; I86-L101 HydrophobicContact CG2-CG 3.87Å
87	S	97.5	Very high	94.6	Very high	40 Å²	40	63.2 Å²	63.2	28%	0.28	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	132.3	168.4	-177.6	0	0	0	0	109.3	Q100	S87-Q100 PolarHBondContact N-O 3.47Å; S87-Q100 PolarHBondContact O-N 2.71Å
88	I	98.2	Very high	94.6	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.021	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.5	173.6	-60	171.4	0	0	0	107.7	G68 I70 T76 Y78 I86 F97 F98 L99	G68-I88 VanDerWaalsContact C-CD1 3.42Å; I70-I88 HydrophobicContact CB-CG2 3.78Å; I70-I88 HydrophobicContact CG2-CG2 3.74Å; T76-I88 WeakPolarHBondContact CG2-O 3.2Å; Y78-I88 HydrophobicContact CD1-CD1 4.46Å; Y78-I88 HydrophobicContact CE1-CB 4.38Å; Y78-I88 HydrophobicContact CE1-CD1 4.25Å; Y78-I88 HydrophobicContact CE1-CG1 4.09Å; I86-I88 HydrophobicContact CD1-CD1 4.37Å; I86-I88 HydrophobicContact CD1-CG1 4.47Å; I88-F97 HydrophobicContact CG2-CD2 4.35Å; I88-F98 VanDerWaalsContact CA-O 3.31Å; I88-F98 WeakPolarHBondContact CA-O 3.37Å; I88-L99 HydrophobicContact CG1-CD1 3.82Å
89	T	97.8	Very high	94.7	Very high	61 Å²	61	55.1 Å²	55.1	37%	0.374	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	170	-179.6	62.2	0	0	0	0	110.8	F97 F98	T89-F97 CarbonylContact O-C 3.6Å; T89-F97 VanDerWaalsContact O-CA 3.27Å; T89-F97 WeakPolarHBondContact O-CA 3.38Å; T89-F97 VanDerWaalsContact O-CB 3.32Å; T89-F97 WeakPolarHBondContact O-CB 3.48Å; T89-F98 PolarHBondContact N-O 3.04Å; T89-F98 VanDerWaalsContact N-O 3.07Å; T89-F98 PolarHBondContact O-N 3.46Å
90	R	97.3	Very high	94.8	Very high	58 Å²	58	56.9 Å²	56.9	22%	0.219	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	145.4	-176.8	170.6	175.6	76.1	171	-0.8	112.1	I47 I70 H72 Q96 F97	I47-R90 HydrophobicContact CD1-CB 4.37Å; I47-R90 HydrophobicContact CD1-CG 3.43Å; I47-R90 VanDerWaalsContact CD1-CG 3.43Å; I47-R90 VanDerWaalsContact CG1-CD 3.41Å; I47-R90 HydrophobicContact CG1-CG 4.17Å; I47-R90 HydrophobicContact CG2-CG 4.23Å; I47-R90 PolarHBondContact O-NH1 2.83Å; I70-R90 HydrophobicContact CD1-CB 3.91Å; H72-R90 VanDerWaalsContact O-CZ 3.27Å; H72-R90 PolarHBondContact O-NH1 3.4Å; H72-R90 PolarHBondContact O-NH2 2.95Å; R90-Q96 WeakPolarHBondContact CA-O 3.32Å; R90-Q96 WeakPolarHBondContact CG-O 3.28Å; R90-F97 HydrophobicContact CB-CB 4.27Å
91	E	97.1	Very high	94.8	Very high	61 Å²	61	50.9 Å²	50.9	29%	0.285	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	98.7	168.5	-176.9	170.6	-167.7	0	0	110.3	S93 K94 N95 Q96 F98	E91-S93 VanDerWaalsContact C-N 3.28Å; E91-S93 VanDerWaalsContact CG-OG 3.31Å; E91-S93 WeakPolarHBondContact CG-OG 3.27Å; E91-S93 PolarHBondContact O-N 3Å; E91-S93 PolarHBondContact OE1-OG 2.94Å; E91-K94 VanDerWaalsContact CD-CD 3.49Å; E91-K94 VanDerWaalsContact CD-CE 3.44Å; E91-K94 HydrophobicContact CG-CB 4.14Å; E91-K94 HydrophobicContact CG-CD 4.35Å; E91-K94 HydrophobicContact CG-CG 4Å; E91-K94 PolarHBondContact O-N 2.03Å; E91-K94 WeakPolarHBondContact OE1-CE 3.02Å; E91-K94 IonicContact OE1-NZ 3.19Å; E91-K94 PolarHBondContact OE1-NZ 2.82Å; E91-K94 WeakPolarHBondContact OE2-CD 3.14Å; E91-K94 VanDerWaalsContact OE2-CE 3.28Å; E91-K94 WeakPolarHBondContact OE2-CE 3.46Å; E91-K94 IonicContact OE2-NZ 3Å; E91-K94 PolarHBondContact OE2-NZ 2.83Å; E91-N95 PolarHBondContact O-N 3.37Å; E91-N95 VanDerWaalsContact O-N 3.15Å; E91-Q96 PolarHBondContact N-O 2.9Å; E91-Q96 PolarHBondContact O-N 2.75Å; E91-F98 HydrophobicContact CB-CE2 3.63Å; E91-F98 HydrophobicContact CB-CZ 4.04Å
92	T	96.5	Very high	94.9	Very high	74 Å²	74	49.4 Å²	49.4	45%	0.454	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-60.5	-35.9	-175.9	-53.3	0	0	0	0	112.8	I47 T48 K94 N95	I47-T92 HydrophobicContact CG2-CG2 4.1Å; T48-T92 HydrophobicContact CG2-CG2 3.72Å; T92-K94 PolarHBondContact O-N 2.98Å; T92-N95 PolarHBondContact O-N 2.84Å
93	S	96.1	Very high	95.1	Very high	107 Å²	107	51.9 Å²	51.9	75%	0.748	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-64.3	-27.5	179.6	54.4	0	0	0	0	113.5	E91	E91-S93 VanDerWaalsContact C-N 3.28Å; E91-S93 VanDerWaalsContact CG-OG 3.31Å; E91-S93 WeakPolarHBondContact CG-OG 3.27Å; E91-S93 PolarHBondContact O-N 3Å; E91-S93 PolarHBondContact OE1-OG 2.94Å
94	K	97.2	Very high	95.7	Very high	121 Å²	121	45.4 Å²	45.4	53%	0.526	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-101.9	-1.8	178.2	-63.6	-169.8	-167.6	138.7	0	113.5	E91 T92 Q96	E91-K94 VanDerWaalsContact CD-CD 3.49Å; E91-K94 VanDerWaalsContact CD-CE 3.44Å; E91-K94 HydrophobicContact CG-CB 4.14Å; E91-K94 HydrophobicContact CG-CD 4.35Å; E91-K94 HydrophobicContact CG-CG 4Å; E91-K94 PolarHBondContact O-N 2.03Å; E91-K94 WeakPolarHBondContact OE1-CE 3.02Å; E91-K94 IonicContact OE1-NZ 3.19Å; E91-K94 PolarHBondContact OE1-NZ 2.82Å; E91-K94 WeakPolarHBondContact OE2-CD 3.14Å; E91-K94 VanDerWaalsContact OE2-CE 3.28Å; E91-K94 WeakPolarHBondContact OE2-CE 3.46Å; E91-K94 IonicContact OE2-NZ 3Å; E91-K94 PolarHBondContact OE2-NZ 2.83Å; T92-K94 PolarHBondContact O-N 2.98Å; K94-Q96 VanDerWaalsContact C-N 3.27Å; K94-Q96 HydrophobicContact CB-CB 4.28Å; K94-Q96 HydrophobicContact CB-CG 4.21Å; K94-Q96 WeakPolarHBondContact O-CG 3.27Å; K94-Q96 PolarHBondContact O-N 2.89Å
95	N	96.7	Very high	96.3	Very high	33 Å²	33	47.9 Å²	47.9	18%	0.176	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	43.2	-175.6	-147.5	40.7	0	0	0	112.9	I42 F45 P46 I47 E91 T92	I42-N95 PolarHBondContact N-O 2.99Å; I42-N95 PolarHBondContact O-ND2 3.14Å; F45-N95 PolarHBondContact O-ND2 2.96Å; F45-N95 PolarHBondContact O-OD1 3.26Å; P46-N95 WeakPolarHBondContact CA-OD1 3.25Å; I47-N95 WeakPolarHBondContact CB-OD1 3.4Å; I47-N95 PolarHBondContact N-OD1 3.18Å; E91-N95 PolarHBondContact O-N 3.37Å; E91-N95 VanDerWaalsContact O-N 3.15Å; T92-N95 PolarHBondContact O-N 2.84Å
96	Q	98.2	Very high	96.3	Very high	41 Å²	41	48.9 Å²	48.9	19%	0.192	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.9	-172.5	-79.2	170.3	-10.1	0	0	111.6	T39 C40 S41 I47 R90 E91 K94 F98	T39-Q96 HydrophobicContact CG2-CB 4.19Å; T39-Q96 HydrophobicContact CG2-CG 3.89Å; C40-Q96 VanDerWaalsContact O-CA 3.27Å; C40-Q96 WeakPolarHBondContact O-CA 3.43Å; S41-Q96 WeakPolarHBondContact OG-CG 3.42Å; S41-Q96 PolarHBondContact OG-NE2 2.89Å; I47-Q96 WeakPolarHBondContact CD1-O 3.43Å; R90-Q96 WeakPolarHBondContact CA-O 3.32Å; R90-Q96 WeakPolarHBondContact CG-O 3.28Å; E91-Q96 PolarHBondContact N-O 2.9Å; E91-Q96 PolarHBondContact O-N 2.75Å; K94-Q96 VanDerWaalsContact C-N 3.27Å; K94-Q96 HydrophobicContact CB-CB 4.28Å; K94-Q96 HydrophobicContact CB-CG 4.21Å; K94-Q96 WeakPolarHBondContact O-CG 3.27Å; K94-Q96 PolarHBondContact O-N 2.89Å; Q96-F98 HydrophobicContact CB-CE1 4.17Å; Q96-F98 HydrophobicContact CB-CE2 4.33Å; Q96-F98 HydrophobicContact CB-CZ 3.78Å
97	F	98.2	Very high	96.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	154.2	163.7	71.2	-71.8	0	0	0	111.2	C40 I42 I47 W53 W55 I70 I88 T89 R90 C114	C40-F97 HydrophobicContact CB-CD1 3.8Å; C40-F97 HydrophobicContact CB-CE1 3.45Å; C40-F97 VanDerWaalsContact CB-CE1 3.45Å; C40-F97 HydrophobicContact CB-CE2 4.44Å; C40-F97 HydrophobicContact CB-CG 4.45Å; C40-F97 HydrophobicContact CB-CZ 3.82Å; C40-F97 PolarHBondContact N-O 2.81Å; C40-F97 PolarHBondContact O-N 2.95Å; C40-F97 WeakPolarHBondContact SG-CE1 3.04Å; I42-F97 HydrophobicContact CD1-CD1 4.12Å; I42-F97 HydrophobicContact CD1-CE1 4.31Å; I47-F97 HydrophobicContact CD1-CB 3.83Å; I47-F97 HydrophobicContact CD1-CD1 4.11Å; I47-F97 HydrophobicContact CD1-CG 4.39Å; W53-F97 HydrophobicContact CB-CD1 3.97Å; W53-F97 HydrophobicContact CB-CD2 3.96Å; W53-F97 HydrophobicContact CB-CE1 3.78Å; W53-F97 HydrophobicContact CB-CE2 3.79Å; W53-F97 HydrophobicContact CB-CG 4.05Å; W53-F97 HydrophobicContact CB-CZ 3.67Å; W53-F97 HydrophobicContact CD2-CE1 4.38Å; W53-F97 HydrophobicContact CE3-CE1 4.1Å; W53-F97 HydrophobicContact CG-CD1 4.35Å; W53-F97 HydrophobicContact CG-CE1 4.29Å; W55-F97 AromaticContact CD1-CD2 3.78Å; W55-F97 AromaticContact CD1-CE2 3.48Å; W55-F97 VanDerWaalsContact CD1-CE2 3.48Å; W55-F97 HydrophobicContact CD2-CE2 4.26Å; W55-F97 AromaticContact CE2-CD2 3.97Å; W55-F97 AromaticContact CE2-CE2 3.69Å; W55-F97 HydrophobicContact CG-CE2 4.16Å; W55-F97 HydrophobicContact CZ2-CD2 4.48Å; W55-F97 HydrophobicContact CZ2-CE2 4.34Å; W55-F97 AromaticContact NE1-CD2 3.17Å; W55-F97 AromaticContact NE1-CE2 3.15Å; I70-F97 HydrophobicContact CG2-CB 4.3Å; I70-F97 HydrophobicContact CG2-CD2 4.23Å; I88-F97 HydrophobicContact CG2-CD2 4.35Å; T89-F97 CarbonylContact O-C 3.6Å; T89-F97 VanDerWaalsContact O-CA 3.27Å; T89-F97 WeakPolarHBondContact O-CA 3.38Å; T89-F97 VanDerWaalsContact O-CB 3.32Å; T89-F97 WeakPolarHBondContact O-CB 3.48Å; R90-F97 HydrophobicContact CB-CB 4.27Å; F97-C114 HydrophobicContact CE1-CB 4.07Å; F97-C114 HydrophobicContact CE2-CB 4.34Å; F97-C114 HydrophobicContact CZ-CB 3.49Å; F97-C114 VanDerWaalsContact CZ-CB 3.49Å
98	F	98.5	Very high	96	Very high	18 Å²	18	51.2 Å²	51.2	8%	0.079	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	147.7	-166	-48.9	-81.6	0	0	0	110.4	F37 L38 T39 I88 T89 E91 Q96	F37-F98 HydrophobicContact CE1-CB 4.36Å; F37-F98 AromaticContact CE1-CD1 3.46Å; F37-F98 HydrophobicContact CE1-CD1 3.46Å; F37-F98 VanDerWaalsContact CE1-CD1 3.46Å; F37-F98 HydrophobicContact CE1-CE1 4.05Å; F37-F98 HydrophobicContact CE1-CG 4.16Å; F37-F98 HydrophobicContact CE2-CB 3.85Å; F37-F98 HydrophobicContact CE2-CD1 4.3Å; F37-F98 HydrophobicContact CE2-CG 4.18Å; F37-F98 HydrophobicContact CZ-CB 3.62Å; F37-F98 AromaticContact CZ-CD1 3.25Å; F37-F98 HydrophobicContact CZ-CD1 3.25Å; F37-F98 HydrophobicContact CZ-CD2 4.37Å; F37-F98 AromaticContact CZ-CE1 3.96Å; F37-F98 HydrophobicContact CZ-CE1 3.96Å; F37-F98 AromaticContact CZ-CG 3.49Å; F37-F98 HydrophobicContact CZ-CG 3.49Å; F37-F98 VanDerWaalsContact CZ-CG 3.49Å; L38-F98 CarbonylContact O-C 3.5Å; L38-F98 WeakPolarHBondContact O-CA 2.96Å; T39-F98 HydrophobicContact CG2-CD1 3.85Å; T39-F98 HydrophobicContact CG2-CE1 3.55Å; T39-F98 WeakPolarHBondContact OG1-CD1 3.37Å; T39-F98 WeakPolarHBondContact OG1-CE1 3.4Å; I88-F98 VanDerWaalsContact CA-O 3.31Å; I88-F98 WeakPolarHBondContact CA-O 3.37Å; T89-F98 PolarHBondContact N-O 3.04Å; T89-F98 VanDerWaalsContact N-O 3.07Å; T89-F98 PolarHBondContact O-N 3.46Å; E91-F98 HydrophobicContact CB-CE2 3.63Å; E91-F98 HydrophobicContact CB-CZ 4.04Å; Q96-F98 HydrophobicContact CB-CE1 4.17Å; Q96-F98 HydrophobicContact CB-CE2 4.33Å; Q96-F98 HydrophobicContact CB-CZ 3.78Å
99	L	98.4	Very high	95.8	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.8	168.3	178.3	69	0	0	0	108.5	F37 L38 W55 M67 I86 I88 L101 Y112	F37-L99 WeakPolarHBondContact CA-O 3.41Å; L38-L99 HydrophobicContact CB-CB 4.34Å; L38-L99 HydrophobicContact CD1-CD2 4.24Å; L38-L99 PolarHBondContact N-O 2.87Å; L38-L99 PolarHBondContact O-N 3.06Å; W55-L99 HydrophobicContact CB-CD1 4.42Å; W55-L99 HydrophobicContact CB-CD2 4.15Å; W55-L99 HydrophobicContact CD2-CB 3.63Å; W55-L99 HydrophobicContact CD2-CD2 3.91Å; W55-L99 HydrophobicContact CD2-CG 4.3Å; W55-L99 VanDerWaalsContact CE2-CB 3.41Å; W55-L99 HydrophobicContact CE3-CB 4.27Å; W55-L99 HydrophobicContact CE3-CD2 4.03Å; W55-L99 HydrophobicContact CG-CB 3.85Å; W55-L99 HydrophobicContact CG-CD1 4.21Å; W55-L99 HydrophobicContact CG-CD2 3.97Å; W55-L99 HydrophobicContact CG-CG 4.23Å; W55-L99 HydrophobicContact CH2-CB 4.49Å; W55-L99 HydrophobicContact CZ2-CB 3.88Å; M67-L99 HydrophobicContact CE-CD1 4.46Å; M67-L99 HydrophobicContact CE-CD2 3.91Å; M67-L99 HydrophobicContact SD-CD2 3.81Å; I86-L99 HydrophobicContact CB-CD1 4.05Å; I86-L99 HydrophobicContact CD1-CD1 3.86Å; I86-L99 HydrophobicContact CG1-CD1 4.46Å; I88-L99 HydrophobicContact CG1-CD1 3.82Å; L99-L101 HydrophobicContact CD1-CD1 4.18Å; L99-L101 HydrophobicContact CD2-CD1 3.62Å; L99-L101 HydrophobicContact CG-CD1 3.57Å; L99-Y112 HydrophobicContact CD2-CD1 3.85Å; L99-Y112 HydrophobicContact CD2-CE1 4.11Å
100	Q	97.6	Very high	95.7	Very high	66 Å²	66	53.7 Å²	53.7	31%	0.308	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.7	172.3	-177.9	175.2	-10.9	0	0	109.7	L36 F37 I86 S87 N102	L36-Q100 WeakPolarHBondContact O-CA 3.29Å; F37-Q100 HydrophobicContact CD2-CB 4.29Å; I86-Q100 CarbonylContact C-O 3.53Å; I86-Q100 VanDerWaalsContact CA-O 3.25Å; I86-Q100 WeakPolarHBondContact CA-O 3.19Å; S87-Q100 PolarHBondContact N-O 3.47Å; S87-Q100 PolarHBondContact O-N 2.71Å; Q100-N102 PolarHBondContact NE2-OD1 3.26Å
101	L	96	Very high	95.7	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	133.4	166.6	-71.5	65.9	0	0	0	107.6	S35 L36 M67 I86 L99 V104 D108 Y112	S35-L101 CarbonylContact C-O 3.58Å; S35-L101 VanDerWaalsContact CA-O 3.23Å; S35-L101 WeakPolarHBondContact CA-O 3.46Å; S35-L101 WeakPolarHBondContact CB-O 3.23Å; L36-L101 HydrophobicContact CB-CB 4.3Å; L36-L101 HydrophobicContact CD2-CD1 4.47Å; L36-L101 HydrophobicContact CD2-CD2 4.48Å; L36-L101 PolarHBondContact N-O 2.74Å; L36-L101 PolarHBondContact O-N 2.77Å; M67-L101 HydrophobicContact CE-CD1 4.21Å; M67-L101 HydrophobicContact CE-CD2 4.42Å; M67-L101 HydrophobicContact CE-CG 4.5Å; I86-L101 HydrophobicContact CG2-CD1 4.24Å; I86-L101 HydrophobicContact CG2-CG 3.87Å; L99-L101 HydrophobicContact CD1-CD1 4.18Å; L99-L101 HydrophobicContact CD2-CD1 3.62Å; L99-L101 HydrophobicContact CG-CD1 3.57Å; L101-V104 HydrophobicContact CB-CG1 3.82Å; L101-D108 HydrophobicContact CD2-CB 4.02Å; L101-Y112 HydrophobicContact CD1-CE1 4.34Å; L101-Y112 HydrophobicContact CD2-CE1 4.26Å; L101-Y112 WeakPolarHBondContact CD2-OH 3.35Å
102	N	92.5	Very high	95.8	Very high	57 Å²	57	54.6 Å²	54.6	31%	0.305	31%	0.305	S	S	.	.	S	Bend	trans	-102.9	140.5	176.7	-65.3	-45.7	0	0	0	110.6	S35 P85 Q100	S35-N102 PolarHBondContact OG-OD1 3.1Å; P85-N102 PolarHBondContact O-N 2.91Å; Q100-N102 PolarHBondContact NE2-OD1 3.26Å
103	S	92.8	Very high	95.9	Very high	79 Å²	79	55 Å²	55	55%	0.552	30%	0.299	S	S	*	.	S	Bend	trans	55.2	54.5	178.2	-51.9	0	0	0	0	113.1	Q34	Q34-S103 PolarHBondContact O-N 2.85Å
104	V	93.9	Very high	95.9	Very high	7 Å²	7	50.5 Å²	50.5	4%	0.042	27%	0.268	C	S	.	.			trans	-57.6	143.5	-175.3	-59.9	0	0	0	0	112.5	V30 K31 P32 S33 Q34 L36 L101 D108	V30-V104 HydrophobicContact CG2-CG2 3.79Å; K31-V104 WeakPolarHBondContact O-CG2 3.36Å; P32-V104 CarbonylContact C-O 3.44Å; P32-V104 WeakPolarHBondContact CA-O 3.35Å; S33-V104 PolarHBondContact N-O 3.18Å; Q34-V104 WeakPolarHBondContact O-CG2 3.44Å; Q34-V104 PolarHBondContact O-N 3.14Å; L36-V104 HydrophobicContact CB-CG1 3.68Å; L101-V104 HydrophobicContact CB-CG1 3.82Å; V104-D108 HydrophobicContact CB-CB 4.38Å
105	T	93.7	Very high	96	Very high	63 Å²	63	46.2 Å²	46.2	39%	0.387	26%	0.255	S	S	.	.			trans	-111.2	174.9	176	69.9	0	0	0	0	110.6	E107 D108	T105-E107 PolarHBondContact O-N 2.89Å; T105-E107 PolarHBondContact OG1-N 3.42Å; T105-D108 PolarHBondContact N-OD2 2.93Å; T105-D108 PolarHBondContact O-N 3.36Å; T105-D108 PolarHBondContact OG1-OD2 3.12Å
106	T	92.8	Very high	95.8	Very high	112 Å²	112	46.2 Å²	46.2	69%	0.687	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-61.6	-25.8	171.9	47.8	0	0	0	0	112.6	D108 T109	T106-D108 PolarHBondContact O-N 3.07Å; T106-T109 VanDerWaalsContact O-CB 3.31Å; T106-T109 WeakPolarHBondContact O-CB 3.39Å; T106-T109 PolarHBondContact O-N 2.93Å; T106-T109 PolarHBondContact O-OG1 3.32Å
107	E	91.9	Very high	95.3	Very high	105 Å²	105	50.8 Å²	50.8	49%	0.491	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-69.7	-22.8	178.1	-57	-173	-174.9	0	0	112.7	Q83 T105 T109	Q83-E107 VanDerWaalsContact CD-OE2 3.28Å; Q83-E107 PolarHBondContact NE2-OE2 2.78Å; Q83-E107 PolarHBondContact OE1-OE2 3.03Å; T105-E107 PolarHBondContact O-N 2.89Å; T105-E107 PolarHBondContact OG1-N 3.42Å; E107-T109 PolarHBondContact O-N 3Å
108	D	94	Very high	95.2	Very high	9 Å²	9	53.3 Å²	53.3	5%	0.048	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-79.5	3.5	175.9	-60.9	-54	0	0	0	112.8	R57 S84 L101 V104 T105 T106 A110 Y112	R57-D108 IonicContact NH1-OD1 2.7Å; R57-D108 PolarHBondContact NH1-OD1 3.43Å; S84-D108 PolarHBondContact OG-OD1 2.94Å; S84-D108 PolarHBondContact OG-OD2 2.77Å; L101-D108 HydrophobicContact CD2-CB 4.02Å; V104-D108 HydrophobicContact CB-CB 4.38Å; T105-D108 PolarHBondContact N-OD2 2.93Å; T105-D108 PolarHBondContact O-N 3.36Å; T105-D108 PolarHBondContact OG1-OD2 3.12Å; T106-D108 PolarHBondContact O-N 3.07Å; D108-A110 PolarHBondContact O-N 2.96Å; D108-A110 VanDerWaalsContact O-N 3.11Å; D108-Y112 PolarHBondContact O-OH 3.35Å
109	T	95	Very high	95	Very high	94 Å²	94	55.2 Å²	55.2	58%	0.577	31%	0.314	S	S	*	.			trans	-70.7	104.8	172.3	-52.7	0	0	0	0	109.6	P60 T106 E107	P60-T109 WeakPolarHBondContact CD-O 3.42Å; T106-T109 VanDerWaalsContact O-CB 3.31Å; T106-T109 WeakPolarHBondContact O-CB 3.39Å; T106-T109 PolarHBondContact O-N 2.93Å; T106-T109 PolarHBondContact O-OG1 3.32Å; E107-T109 PolarHBondContact O-N 3Å
110	A	96.4	Very high	94.8	Very high	22 Å²	22	58.2 Å²	58.2	18%	0.182	33%	0.332	C	S	.	.	S	Bend	trans	-154.5	163.3	-176.2	0	0	0	0	0	111	R57 Q58 D108 Y112	R57-A110 HydrophobicContact CB-CB 4.01Å; Q58-A110 WeakPolarHBondContact O-CA 3.39Å; Q58-A110 WeakPolarHBondContact O-CB 3.37Å; D108-A110 PolarHBondContact O-N 2.96Å; D108-A110 VanDerWaalsContact O-N 3.11Å; A110-Y112 HydrophobicContact CB-CD2 4.44Å; A110-Y112 HydrophobicContact CB-CE2 3.94Å; A110-Y112 VanDerWaalsContact O-CD2 3.27Å; A110-Y112 WeakPolarHBondContact O-CD2 3.5Å; A110-Y112 WeakPolarHBondContact O-CE2 3.29Å
111	M	97.4	Very high	94.6	Very high	113 Å²	113	57.8 Å²	57.8	56%	0.557	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	139.4	157.2	-65	-56.3	-59.6	0	0	108.7	R57 Q58 Y113	R57-M111 CarbonylContact C-O 3.5Å; R57-M111 VanDerWaalsContact CA-O 3.23Å; R57-M111 WeakPolarHBondContact CA-O 3.39Å; Q58-M111 PolarHBondContact N-O 3.37Å; Q58-M111 PolarHBondContact O-N 3.29Å; M111-Y113 HydrophobicContact CB-CE2 3.61Å; M111-Y113 WeakPolarHBondContact CB-OH 3.2Å
112	Y	97.9	Very high	94.6	Very high	26 Å²	26	61.4 Å²	61.4	10%	0.102	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	134.1	179.8	-68.5	-98.1	0	0	0	109	L36 L38 I56 R57 M67 L99 L101 D108 A110	L36-Y112 HydrophobicContact CD2-CE2 3.94Å; L38-Y112 HydrophobicContact CD1-CD1 3.61Å; L38-Y112 HydrophobicContact CD1-CD2 3.84Å; L38-Y112 HydrophobicContact CD1-CE1 4.34Å; L38-Y112 HydrophobicContact CD1-CG 3.32Å; I56-Y112 WeakPolarHBondContact O-CA 3.3Å; R57-Y112 HydrophobicContact CB-CD1 3.86Å; R57-Y112 HydrophobicContact CB-CE1 3.88Å; R57-Y112 HydrophobicContact CB-CG 4.43Å; M67-Y112 HydrophobicContact CE-CE1 4.02Å; M67-Y112 HydrophobicContact SD-CD1 3.87Å; M67-Y112 HydrophobicContact SD-CE1 3.74Å; L99-Y112 HydrophobicContact CD2-CD1 3.85Å; L99-Y112 HydrophobicContact CD2-CE1 4.11Å; L101-Y112 HydrophobicContact CD1-CE1 4.34Å; L101-Y112 HydrophobicContact CD2-CE1 4.26Å; L101-Y112 WeakPolarHBondContact CD2-OH 3.35Å; D108-Y112 PolarHBondContact O-OH 3.35Å; A110-Y112 HydrophobicContact CB-CD2 4.44Å; A110-Y112 HydrophobicContact CB-CE2 3.94Å; A110-Y112 VanDerWaalsContact O-CD2 3.27Å; A110-Y112 WeakPolarHBondContact O-CD2 3.5Å; A110-Y112 WeakPolarHBondContact O-CE2 3.29Å
113	Y	98.2	Very high	94.7	Very high	82 Å²	82	61.7 Å²	61.7	32%	0.322	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	144.5	-175.1	-55.5	-79.3	0	0	0	109.9	E24 I56 Q58 L64 M111	E24-Y113 WeakPolarHBondContact OE1-CA 3.48Å; I56-Y113 PolarHBondContact N-O 3.37Å; I56-Y113 PolarHBondContact O-N 3.48Å; Q58-Y113 HydrophobicContact CB-CE2 3.95Å; L64-Y113 HydrophobicContact CD2-CD2 4.16Å; L64-Y113 HydrophobicContact CD2-CE2 4.22Å; M111-Y113 HydrophobicContact CB-CE2 3.61Å; M111-Y113 WeakPolarHBondContact CB-OH 3.2Å
114	C	97.8	Very high	94.8	Very high	13 Å²	13	60.4 Å²	60.4	9%	0.088	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	147.8	166	54.4	0	0	0	0	111.9	L22 E24 C40 I54 W55 F97	L22-C114 HydrophobicContact CD2-CB 4.13Å; E24-C114 HydrophobicContact CG-CB 4.27Å; E24-C114 VanDerWaalsContact CG-SG 3.5Å; E24-C114 PolarHBondContact OE1-N 3.34Å; E24-C114 PolarHBondContact OE1-SG 3.35Å; E24-C114 VanDerWaalsContact OE1-SG 3.37Å; C40-C114 HydrophobicContact CB-CB 3.47Å; C40-C114 VanDerWaalsContact CB-CB 3.47Å; C40-C114 WeakPolarHBondContact CB-SG 3.22Å; C40-C114 WeakPolarHBondContact SG-CB 3.08Å; C40-C114 CovalentContact SG-SG 2.03Å; C40-C114 PolarHBondContact SG-SG 3.28Å; I54-C114 VanDerWaalsContact O-CA 3.28Å; I54-C114 WeakPolarHBondContact O-CA 3.31Å; W55-C114 HydrophobicContact CE3-CB 4.5Å; W55-C114 HydrophobicContact CZ3-CB 4.41Å; F97-C114 HydrophobicContact CE1-CB 4.07Å; F97-C114 HydrophobicContact CE2-CB 4.34Å; F97-C114 HydrophobicContact CZ-CB 3.49Å; F97-C114 VanDerWaalsContact CZ-CB 3.49Å
115	A	97.3	Very high	94.9	Very high	31 Å²	31	64.5 Å²	64.5	26%	0.256	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	153.7	174.5	0	0	0	0	0	110.7	I54 I56	I54-A115 HydrophobicContact CB-CB 4.33Å; I54-A115 PolarHBondContact N-O 2.9Å; I54-A115 PolarHBondContact O-N 2.98Å; I56-A115 HydrophobicContact CD1-CB 4.34Å
116	G	94	Very high	95	Very high	33 Å²	33	64.7 Å²	64.7	34%	0.34	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.1	167.9	0	0	0	0	0	109.6	Y52	Y52-G116 WeakPolarHBondContact O-CA 3.28Å
117	D	87.5	Confident	95.2	Very high	136 Å²	136	60.4 Å²	60.4	73%	0.727	34%	0.335	S	S	*	.			trans	-128	0	176.4	-174	33	0	0	0	111.3	Y51 Y52 I54	Y51-D117 CarbonylContact C-O 3.51Å; Y51-D117 VanDerWaalsContact CA-O 3.29Å; Y51-D117 WeakPolarHBondContact CA-O 3.36Å; Y51-D117 WeakPolarHBondContact CD1-O 3.44Å; Y51-D117 WeakPolarHBondContact CD1-OXT 3.49Å; Y52-D117 WeakPolarHBondContact CD2-O 3.29Å; Y52-D117 PolarHBondContact N-O 2.96Å; Y52-D117 PolarHBondContact O-N 3.11Å; I54-D117 HydrophobicContact CD1-CB 3.88Å

Retrieved 117 of 117 residues in 287 ms (Link to these results)

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