A0A075B5M4_MOUSE Loading...

Immunoglobulin kappa variable 4-57-1

AlphaFold DB , UniProt , Accession A0A075B5M4, Species MOUSE (Mus musculus, Mouse), Gene Igkv4-57-1, Length 119 aa.

						>A0A075B5M4_MOUSE|A0A075B5M4|Igkv4-57-1
MDFLVQIFSFLLISASVAMSRGENVLTQSPAIMSASPGEKVTMTCRASSSVSSSYLHWYQQKSGASPKLWIYSTSNLASGVPARFSGSGSGTSYSLTISSVEAEDAATYYCQQYSGYPL
					

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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	46	Very low	68.4	Low	233 Å²	233	92 Å²	92	100%	1.148	45%	0.447	S	S	*	.				0	99.1	0	-75.4	173	61.9	0	0	105.4	F3	M1-F3 PolarHBondContact O-N 3.2Å
2	D	58.2	Low	67.1	Low	151 Å²	151	96.6 Å²	96.6	81%	0.807	47%	0.474	S	S	*	.			trans	-72.7	102.9	-177.9	-55.9	-37.8	0	0	0	107.8	L4	D2-L4 PolarHBondContact O-N 2.98Å
3	F	62.9	Low	65.5	Low	131 Å²	131	101.2 Å²	101.2	58%	0.575	50%	0.499	S	S	*	.			trans	-80.2	96.7	176.6	-174.5	-95.2	0	0	0	107.9	M1 V5 P37 A103	M1-F3 PolarHBondContact O-N 3.2Å; F3-V5 HydrophobicContact CD1-CG2 4.26Å; F3-V5 HydrophobicContact CE1-CG2 4.04Å; F3-P37 HydrophobicContact CD1-CG 4.4Å; F3-P37 VanDerWaalsContact O-CD 3.3Å; F3-P37 WeakPolarHBondContact O-CD 3.29Å; F3-A103 HydrophobicContact CE1-CB 3.76Å; F3-A103 HydrophobicContact CZ-CB 4.38Å
4	L	77.5	Confident	64	Low	91 Å²	91	99.9 Å²	99.9	48%	0.476	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-85.5	125.2	175.2	-66	177.8	0	0	0	110.1	D2	D2-L4 PolarHBondContact O-N 2.98Å
5	V	79.5	Confident	62.3	Low	2 Å²	2	99.6 Å²	99.6	1%	0.012	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	121.7	169.8	-176.6	0	0	0	0	108.2	F3 I7 S34 A35 P37 V101 A106	F3-V5 HydrophobicContact CD1-CG2 4.26Å; F3-V5 HydrophobicContact CE1-CG2 4.04Å; V5-I7 HydrophobicContact CG1-CG1 4.42Å; V5-S34 WeakPolarHBondContact O-CA 3.32Å; V5-A35 PolarHBondContact N-O 3.25Å; V5-A35 PolarHBondContact O-N 3.02Å; V5-P37 HydrophobicContact CG2-CG 4.45Å; V5-V101 HydrophobicContact CB-CG1 3.66Å; V5-V101 HydrophobicContact CG1-CG1 3.77Å; V5-V101 HydrophobicContact CG2-CG1 3.82Å; V5-A106 HydrophobicContact CG1-CB 3.87Å
6	Q	79	Confident	60.9	Low	104 Å²	104	100.6 Å²	100.6	49%	0.486	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	124.4	178.9	-63.2	-175.4	-60.6	0	0	110.9	F8 A106	Q6-F8 HydrophobicContact CB-CE2 3.77Å; Q6-F8 HydrophobicContact CB-CZ 3.89Å; Q6-A106 WeakPolarHBondContact O-CA 3.43Å
7	I	80.9	Confident	59.5	Low	4 Å²	4	101.4 Å²	101.4	2%	0.021	55%	0.551	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.7	125.1	177.6	-62.1	164.8	0	0	0	107.4	V5 M33 V41 I98 V101 Y109	V5-I7 HydrophobicContact CG1-CG1 4.42Å; I7-M33 HydrophobicContact CB-CG 3.57Å; I7-M33 HydrophobicContact CB-SD 4.08Å; I7-M33 HydrophobicContact CD1-CG 4.41Å; I7-M33 HydrophobicContact CD1-SD 4.23Å; I7-M33 HydrophobicContact CG2-CG 4.01Å; I7-M33 HydrophobicContact CG2-SD 3.99Å; I7-M33 PolarHBondContact N-O 2.85Å; I7-M33 PolarHBondContact O-N 2.96Å; I7-V41 HydrophobicContact CD1-CG2 3.83Å; I7-I98 HydrophobicContact CD1-CD1 3.87Å; I7-V101 HydrophobicContact CD1-CG1 4.5Å; I7-V101 HydrophobicContact CD1-CG2 4.15Å; I7-Y109 HydrophobicContact CG2-CD2 3.6Å; I7-Y109 HydrophobicContact CG2-CE2 3.84Å
8	F	76	Confident	58.1	Low	74 Å²	74	101.5 Å²	101.5	33%	0.325	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.7	148.5	-176.4	-59.4	-87.9	0	0	0	110.4	Q6 I32 A107 T108 Y109	Q6-F8 HydrophobicContact CB-CE2 3.77Å; Q6-F8 HydrophobicContact CB-CZ 3.89Å; F8-I32 HydrophobicContact CD1-CD1 4.23Å; F8-I32 HydrophobicContact CD1-CG1 3.95Å; F8-I32 HydrophobicContact CD1-CG2 4.11Å; F8-I32 HydrophobicContact CE1-CD1 4.2Å; F8-I32 HydrophobicContact CE1-CG1 4.34Å; F8-I32 HydrophobicContact CE1-CG2 4.03Å; F8-A107 PolarHBondContact N-O 2.86Å; F8-T108 HydrophobicContact CB-CG2 4.34Å; F8-T108 CarbonylContact O-C 3.53Å; F8-T108 WeakPolarHBondContact O-CA 3.3Å; F8-Y109 PolarHBondContact O-N 3.18Å
9	S	72.6	Confident	57.4	Low	9 Å²	9	104.6 Å²	104.6	6%	0.063	58%	0.579	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-120	118	165	87.1	0	0	0	0	108.5	L11 P30 A31 M43	S9-L11 PolarHBondContact O-N 3.07Å; S9-P30 WeakPolarHBondContact CB-O 3.34Å; S9-P30 PolarHBondContact OG-O 3.06Å; S9-A31 PolarHBondContact N-O 2.74Å; S9-A31 WeakPolarHBondContact OG-CA 3.48Å; S9-A31 PolarHBondContact OG-O 2.81Å; S9-M43 WeakPolarHBondContact CB-SD 3.36Å
10	F	65.6	Low	56.9	Low	131 Å²	131	105.2 Å²	105.2	58%	0.575	59%	0.591	S	S	*	*			trans	-82.4	113.6	-179.5	-151	-95.2	0	0	0	108.3	L12 T108	F10-L12 HydrophobicContact CD1-CD2 4.18Å; F10-L12 HydrophobicContact CE1-CD2 4.44Å; F10-L12 PolarHBondContact O-N 2.79Å; F10-T108 HydrophobicContact CB-CG2 3.79Å
11	L	54.4	Low	56.6	Low	82 Å²	82	112.3 Å²	112.3	43%	0.429	61%	0.608	S	S	.	*			trans	-71.8	111.8	162.6	-92.2	120	0	0	0	107.7	S9 I13 A31	S9-L11 PolarHBondContact O-N 3.07Å; L11-I13 VanDerWaalsContact C-N 3.33Å; L11-I13 PolarHBondContact O-N 2.93Å; L11-A31 HydrophobicContact CD1-CB 4.26Å
12	L	52.7	Low	57.1	Low	147 Å²	147	104.8 Å²	104.8	77%	0.77	59%	0.59	S	S	*	*			trans	-68.7	98.4	159.8	-69.4	173.3	0	0	0	107.3	F10 S14	F10-L12 HydrophobicContact CD1-CD2 4.18Å; F10-L12 HydrophobicContact CE1-CD2 4.44Å; F10-L12 PolarHBondContact O-N 2.79Å; L12-S14 VanDerWaalsContact C-N 3.3Å; L12-S14 PolarHBondContact O-N 3.36Å; L12-S14 VanDerWaalsContact O-N 3.13Å
13	I	46.9	Very low	57.4	Low	156 Å²	156	104.2 Å²	104.2	80%	0.8	58%	0.583	S	S	*	*			trans	-74.2	92.4	160	-57.2	172.9	0	0	0	105.2	L11 A15	L11-I13 VanDerWaalsContact C-N 3.33Å; L11-I13 PolarHBondContact O-N 2.93Å; I13-A15 PolarHBondContact O-N 3.46Å
14	S	44.4	Very low	58	Low	84 Å²	84	99.8 Å²	99.8	59%	0.587	57%	0.565	S	S	*	*			trans	-67.4	118.5	163.4	46.9	0	0	0	0	107.5	L12 S16	L12-S14 VanDerWaalsContact C-N 3.3Å; L12-S14 PolarHBondContact O-N 3.36Å; L12-S14 VanDerWaalsContact O-N 3.13Å; S14-S16 PolarHBondContact O-N 3.08Å
15	A	38.2	Very low	58.5	Low	95 Å²	95	99 Å²	99	79%	0.785	56%	0.564	S	S	*	*			trans	-60.8	118.4	165.9	0	0	0	0	0	107.5	I13 V17	I13-A15 PolarHBondContact O-N 3.46Å; A15-V17 PolarHBondContact O-N 2.84Å; A15-V17 VanDerWaalsContact O-N 3.15Å
16	S	39	Very low	59	Low	116 Å²	116	100.9 Å²	100.9	81%	0.811	57%	0.573	S	S	*	*			trans	-70.7	107.1	-178.8	35.2	0	0	0	0	110.5	S14	S14-S16 PolarHBondContact O-N 3.08Å
17	V	37	Very low	59.7	Low	114 Å²	114	99.5 Å²	99.5	69%	0.691	57%	0.572	S	S	*	*			trans	-82.3	108.3	146.8	-179.6	0	0	0	0	105.2	A15 M19	A15-V17 PolarHBondContact O-N 2.84Å; A15-V17 VanDerWaalsContact O-N 3.15Å; V17-M19 VanDerWaalsContact C-N 3.26Å; V17-M19 HydrophobicContact CG1-CB 4.39Å; V17-M19 HydrophobicContact CG1-CG 3.89Å; V17-M19 HydrophobicContact CG1-SD 3.99Å; V17-M19 PolarHBondContact O-N 2.98Å
18	A	36	Very low	60.4	Low	103 Å²	103	100 Å²	100	85%	0.851	58%	0.575	S	S	*	*			trans	-67.7	87.5	175.9	0	0	0	0	0	109.6
19	M	44.8	Very low	61.2	Low	161 Å²	161	99.2 Å²	99.2	79%	0.793	58%	0.578	S	S	*	*			trans	-132.6	100.3	172.3	-80.5	-174.5	152.8	0	0	110	V17	V17-M19 VanDerWaalsContact C-N 3.26Å; V17-M19 HydrophobicContact CG1-CB 4.39Å; V17-M19 HydrophobicContact CG1-CG 3.89Å; V17-M19 HydrophobicContact CG1-SD 3.99Å; V17-M19 PolarHBondContact O-N 2.98Å
20	S	46	Very low	62.2	Low	116 Å²	116	101.2 Å²	101.2	81%	0.811	59%	0.591	S	S	*	*	S	Bend	trans	56.5	104	148.5	-170.9	0	0	0	0	120.5
21	R	51	Low	63.4	Low	255 Å²	255	97.2 Å²	97.2	96%	0.962	58%	0.582	S	S	*	*	S	Bend	trans	47.7	94.3	146	-116.3	177.4	-173.2	-133.1	2.4	117.3
22	G	56.9	Low	65.1	Low	74 Å²	74	98.1 Å²	98.1	76%	0.763	59%	0.586	S	S	*	*			trans	127	22.4	147.8	0	0	0	0	0	119.5
23	E	64.8	Low	66.9	Low	140 Å²	140	92.3 Å²	92.3	65%	0.654	56%	0.556	S	S	*	*			trans	-80.6	123.6	176.3	-66.3	-171.8	143	0	0	112.6	V25	E23-V25 PolarHBondContact O-N 3.13Å
24	N	75.1	Confident	69.1	Low	38 Å²	38	87.8 Å²	87.8	20%	0.203	54%	0.538	C	S	.	.			trans	-83.4	105.8	171.2	-73.6	-24.9	0	0	0	109.9	S49 Q113 S115	N24-S49 VanDerWaalsContact CG-OG 3.31Å; N24-S49 WeakPolarHBondContact OD1-CB 3.48Å; N24-S49 PolarHBondContact OD1-OG 2.77Å; N24-Q113 HydrophobicContact CB-CG 4.25Å; N24-S115 PolarHBondContact ND2-OG 2.96Å; N24-S115 VanDerWaalsContact ND2-OG 3.08Å
25	V	87.6	Confident	71.4	Confident	74 Å²	74	83.8 Å²	83.8	45%	0.448	51%	0.51	S	S	.	.			trans	-85.5	133.1	-179.2	-178.4	0	0	0	0	109.6	E23 A47 S48	E23-V25 PolarHBondContact O-N 3.13Å; V25-A47 CarbonylContact O-C 3.55Å; V25-A47 WeakPolarHBondContact O-CA 3.12Å; V25-S48 PolarHBondContact N-OG 3.46Å; V25-S48 PolarHBondContact O-N 2.93Å
26	L	91.1	Very high	74.1	Confident	41 Å²	41	81.2 Å²	81.2	22%	0.215	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	131.4	174.9	-59.3	-177.3	0	0	0	110.5	R46 A47 C111 Q113	L26-R46 CarbonylContact C-O 3.48Å; L26-R46 WeakPolarHBondContact CA-O 3.13Å; L26-A47 HydrophobicContact CD2-CB 3.57Å; L26-C111 WeakPolarHBondContact CD1-O 3.4Å; L26-Q113 HydrophobicContact CD1-CB 4.13Å; L26-Q113 HydrophobicContact CD1-CG 4.01Å; L26-Q113 HydrophobicContact CD2-CB 4.41Å; L26-Q113 HydrophobicContact CD2-CG 4.12Å; L26-Q113 HydrophobicContact CG-CG 4.17Å
27	T	93.5	Very high	76.8	Confident	75 Å²	75	79.3 Å²	79.3	46%	0.46	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125	175.6	-56.2	0	0	0	0	110	C45 R46	T27-C45 CarbonylContact O-C 3.57Å; T27-C45 WeakPolarHBondContact O-CA 3.49Å; T27-R46 PolarHBondContact N-O 3.16Å; T27-R46 PolarHBondContact O-N 2.76Å
28	Q	94.3	Very high	79.7	Confident	16 Å²	16	76 Å²	76	8%	0.075	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	146.4	177.3	-75.9	177.7	-124	0	0	112.8	M43 T44 C45 Y109 C111	Q28-M43 PolarHBondContact NE2-SD 2.99Å; Q28-T44 WeakPolarHBondContact CA-O 3.33Å; Q28-C45 HydrophobicContact CG-CB 4.13Å; Q28-Y109 PolarHBondContact NE2-O 3.02Å; Q28-C111 VanDerWaalsContact CG-SG 3.57Å; Q28-C111 PolarHBondContact OE1-SG 2.56Å; Q28-C111 VanDerWaalsContact OE1-SG 3.37Å
29	S	93.7	Very high	82.6	Confident	57 Å²	57	75.6 Å²	75.6	40%	0.399	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	139	176.6	180	0	0	0	0	111.8	T44	S29-T44 PolarHBondContact N-O 3.31Å; S29-T44 PolarHBondContact O-N 2.93Å; S29-T44 PolarHBondContact O-OG1 2.92Å
30	P	94.3	Very high	85.1	Confident	50 Å²	50	74.9 Å²	74.9	33%	0.325	43%	0.433	S	S	.	.			cis	-74.1	160.6	-5.6	33	-37.2	0	0	0	112.4	S9 I32 M33	S9-P30 WeakPolarHBondContact CB-O 3.34Å; S9-P30 PolarHBondContact OG-O 3.06Å; P30-I32 VanDerWaalsContact C-N 3.3Å; P30-M33 HydrophobicContact CG-CB 4.01Å; P30-M33 HydrophobicContact CG-CE 3.56Å
31	A	89.9	Confident	87.5	Confident	47 Å²	47	70.1 Å²	70.1	39%	0.388	40%	0.399	S	S	.	.	S	Bend	trans	-63.9	-36.6	174.7	0	0	0	0	0	112.3	S9 L11	S9-A31 PolarHBondContact N-O 2.74Å; S9-A31 WeakPolarHBondContact OG-CA 3.48Å; S9-A31 PolarHBondContact OG-O 2.81Å; L11-A31 HydrophobicContact CD1-CB 4.26Å
32	I	89.6	Confident	89.7	Confident	101 Å²	101	60.9 Å²	60.9	52%	0.518	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	137.6	179.7	-52.7	-179.6	0	0	0	106.8	F8 P30	F8-I32 HydrophobicContact CD1-CD1 4.23Å; F8-I32 HydrophobicContact CD1-CG1 3.95Å; F8-I32 HydrophobicContact CD1-CG2 4.11Å; F8-I32 HydrophobicContact CE1-CD1 4.2Å; F8-I32 HydrophobicContact CE1-CG1 4.34Å; F8-I32 HydrophobicContact CE1-CG2 4.03Å; P30-I32 VanDerWaalsContact C-N 3.3Å
33	M	91.5	Very high	91.5	Very high	26 Å²	26	57.6 Å²	57.6	13%	0.128	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	151	168.4	65.2	-175.1	64.2	0	0	109.6	I7 P30 V41 M43	I7-M33 HydrophobicContact CB-CG 3.57Å; I7-M33 HydrophobicContact CB-SD 4.08Å; I7-M33 HydrophobicContact CD1-CG 4.41Å; I7-M33 HydrophobicContact CD1-SD 4.23Å; I7-M33 HydrophobicContact CG2-CG 4.01Å; I7-M33 HydrophobicContact CG2-SD 3.99Å; I7-M33 PolarHBondContact N-O 2.85Å; I7-M33 PolarHBondContact O-N 2.96Å; P30-M33 HydrophobicContact CG-CB 4.01Å; P30-M33 HydrophobicContact CG-CE 3.56Å; M33-V41 HydrophobicContact SD-CB 3.57Å; M33-V41 VanDerWaalsContact SD-CB 3.57Å; M33-V41 HydrophobicContact SD-CG1 4.02Å; M33-V41 HydrophobicContact SD-CG2 3.81Å; M33-M43 HydrophobicContact CE-CB 3.79Å; M33-M43 HydrophobicContact CE-CG 4.42Å
34	S	92.2	Very high	93	Very high	60 Å²	60	52.5 Å²	52.5	42%	0.42	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	138.1	172.8	-65	0	0	0	0	107.8	V5	V5-S34 WeakPolarHBondContact O-CA 3.32Å
35	A	93.9	Very high	94	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.008	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	145.3	-178	0	0	0	0	0	110.8	V5 E39 V41 V101	V5-A35 PolarHBondContact N-O 3.25Å; V5-A35 PolarHBondContact O-N 3.02Å; A35-E39 VanDerWaalsContact CA-OE2 3.29Å; A35-E39 WeakPolarHBondContact CA-OE2 3.3Å; A35-E39 HydrophobicContact CB-CB 4.22Å; A35-V41 HydrophobicContact CB-CG1 3.47Å; A35-V41 VanDerWaalsContact CB-CG1 3.47Å; A35-V101 HydrophobicContact CB-CB 4.39Å; A35-V101 HydrophobicContact CB-CG1 4.37Å; A35-V101 HydrophobicContact CB-CG2 4.11Å
36	S	95.1	Very high	94.4	Very high	40 Å²	40	54 Å²	54	28%	0.28	31%	0.309	S	S	.	.			trans	-75.3	149.4	169.2	-56.2	0	0	0	0	109.9	G38 E39	S36-G38 PolarHBondContact O-N 2.75Å; S36-E39 PolarHBondContact N-OE2 3.33Å; S36-E39 VanDerWaalsContact O-CB 3.31Å; S36-E39 WeakPolarHBondContact O-CB 3.33Å; S36-E39 WeakPolarHBondContact O-CG 3.34Å; S36-E39 PolarHBondContact O-N 3.28Å
37	P	95.3	Very high	94.4	Very high	76 Å²	76	52.4 Å²	52.4	49%	0.494	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	133.5	173.1	-28.1	34.9	0	0	0	112.1	F3 V5 V101	F3-P37 HydrophobicContact CD1-CG 4.4Å; F3-P37 VanDerWaalsContact O-CD 3.3Å; F3-P37 WeakPolarHBondContact O-CD 3.29Å; V5-P37 HydrophobicContact CG2-CG 4.45Å; P37-V101 CarbonylContact C-O 3.51Å; P37-V101 VanDerWaalsContact CA-O 3.23Å; P37-V101 WeakPolarHBondContact CA-O 3.28Å
38	G	96.6	Very high	94.3	Very high	46 Å²	46	52.6 Å²	52.6	47%	0.474	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	-15	-175.4	0	0	0	0	0	115.1	S36 V101	S36-G38 PolarHBondContact O-N 2.75Å; G38-V101 PolarHBondContact N-O 2.79Å
39	E	97.3	Very high	94.1	Very high	93 Å²	93	54 Å²	54	44%	0.435	32%	0.319	S	S	.	.			trans	-72.4	150.1	176.1	-69.1	-174.9	147.8	0	0	111.7	A35 S36 V101	A35-E39 VanDerWaalsContact CA-OE2 3.29Å; A35-E39 WeakPolarHBondContact CA-OE2 3.3Å; A35-E39 HydrophobicContact CB-CB 4.22Å; S36-E39 PolarHBondContact N-OE2 3.33Å; S36-E39 VanDerWaalsContact O-CB 3.31Å; S36-E39 WeakPolarHBondContact O-CB 3.33Å; S36-E39 WeakPolarHBondContact O-CG 3.34Å; S36-E39 PolarHBondContact O-N 3.28Å; E39-V101 WeakPolarHBondContact O-CG2 3.29Å; E39-V101 PolarHBondContact O-N 2.87Å
40	K	97.2	Very high	94	Very high	146 Å²	146	55.5 Å²	55.5	64%	0.635	33%	0.329	S	S	*	.			trans	-87.3	132.5	171.8	177.4	-177.2	178.4	-177.4	0	109.5	T97 I98	K40-T97 HydrophobicContact CD-CG2 4.38Å; K40-T97 VanDerWaalsContact CE-CG2 3.42Å; K40-T97 HydrophobicContact CG-CG2 4.13Å; K40-I98 WeakPolarHBondContact CA-O 3.37Å
41	V	96.3	Very high	93.9	Very high	17 Å²	17	53.3 Å²	53.3	10%	0.103	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	147.8	170.1	-61.3	0	0	0	0	111.7	I7 M33 A35 T97 I98 V101	I7-V41 HydrophobicContact CD1-CG2 3.83Å; M33-V41 HydrophobicContact SD-CB 3.57Å; M33-V41 VanDerWaalsContact SD-CB 3.57Å; M33-V41 HydrophobicContact SD-CG1 4.02Å; M33-V41 HydrophobicContact SD-CG2 3.81Å; A35-V41 HydrophobicContact CB-CG1 3.47Å; A35-V41 VanDerWaalsContact CB-CG1 3.47Å; V41-T97 VanDerWaalsContact O-CA 3.32Å; V41-T97 WeakPolarHBondContact O-CA 3.29Å; V41-I98 HydrophobicContact CG2-CB 3.79Å; V41-I98 HydrophobicContact CG2-CD1 3.91Å; V41-I98 HydrophobicContact CG2-CG1 3.82Å; V41-I98 PolarHBondContact N-O 2.72Å; V41-I98 PolarHBondContact O-N 2.83Å; V41-V101 HydrophobicContact CB-CG2 4.36Å; V41-V101 HydrophobicContact CG1-CG2 3.92Å; V41-V101 HydrophobicContact CG2-CG2 3.59Å
42	T	97	Very high	94	Very high	60 Å²	60	53.9 Å²	53.9	37%	0.368	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	128	173.9	-62.2	0	0	0	0	109.3	L96 T97	T42-L96 CarbonylContact C-O 3.15Å; T42-L96 WeakPolarHBondContact CA-O 3.23Å; T42-T97 PolarHBondContact OG1-OG1 3.4Å
43	M	95.5	Very high	94.2	Very high	5 Å²	5	51 Å²	51	3%	0.025	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	143.1	168.5	-179.3	164.8	52.4	0	0	109.7	S9 Q28 M33 W58 S95 L96 Y109	S9-M43 WeakPolarHBondContact CB-SD 3.36Å; Q28-M43 PolarHBondContact NE2-SD 2.99Å; M33-M43 HydrophobicContact CE-CB 3.79Å; M33-M43 HydrophobicContact CE-CG 4.42Å; M43-W58 HydrophobicContact CE-CE3 3.99Å; M43-W58 HydrophobicContact CE-CH2 4.04Å; M43-W58 HydrophobicContact CE-CZ3 3.32Å; M43-W58 HydrophobicContact CG-CH2 4.21Å; M43-W58 HydrophobicContact CG-CZ3 4.36Å; M43-W58 HydrophobicContact SD-CZ3 4.28Å; M43-S95 CarbonylContact O-C 3.56Å; M43-S95 WeakPolarHBondContact O-CA 3.31Å; M43-S95 VanDerWaalsContact O-CB 3.32Å; M43-S95 WeakPolarHBondContact O-CB 3.4Å; M43-L96 HydrophobicContact CE-CD2 3.95Å; M43-L96 PolarHBondContact N-O 2.87Å; M43-L96 PolarHBondContact O-N 2.85Å; M43-Y109 HydrophobicContact CE-CG 4.32Å
44	T	96.9	Very high	94.3	Very high	34 Å²	34	52.4 Å²	52.4	21%	0.209	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	151.2	177.6	61.1	0	0	0	0	111.1	Q28 S29 Y94	Q28-T44 WeakPolarHBondContact CA-O 3.33Å; S29-T44 PolarHBondContact N-O 3.31Å; S29-T44 PolarHBondContact O-N 2.93Å; S29-T44 PolarHBondContact O-OG1 2.92Å; T44-Y94 CarbonylContact C-O 3.57Å; T44-Y94 WeakPolarHBondContact CA-O 3.27Å
45	C	95.1	Very high	94.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	119.3	171.7	173.7	0	0	0	0	108.3	T27 Q28 W58 Y94 C111	T27-C45 CarbonylContact O-C 3.57Å; T27-C45 WeakPolarHBondContact O-CA 3.49Å; Q28-C45 HydrophobicContact CG-CB 4.13Å; C45-W58 HydrophobicContact CB-CH2 3.57Å; C45-W58 HydrophobicContact CB-CZ2 3.73Å; C45-W58 HydrophobicContact CB-CZ3 4.48Å; C45-Y94 PolarHBondContact N-O 2.84Å; C45-Y94 PolarHBondContact O-N 2.82Å; C45-C111 HydrophobicContact CB-CB 3.55Å; C45-C111 WeakPolarHBondContact CB-SG 3.11Å; C45-C111 WeakPolarHBondContact SG-CB 3.36Å; C45-C111 CovalentContact SG-SG 2.02Å; C45-C111 PolarHBondContact SG-SG 3.08Å
46	R	95.2	Very high	94.4	Very high	142 Å²	142	54.8 Å²	54.8	54%	0.536	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.9	177.9	-68	-164.4	178.9	93.9	0	110.8	L26 T27 T92	L26-R46 CarbonylContact C-O 3.48Å; L26-R46 WeakPolarHBondContact CA-O 3.13Å; T27-R46 PolarHBondContact N-O 3.16Å; T27-R46 PolarHBondContact O-N 2.76Å; R46-T92 CarbonylContact C-O 2.96Å; R46-T92 WeakPolarHBondContact CA-O 3.28Å
47	A	91.9	Very high	94.4	Very high	9 Å²	9	53.9 Å²	53.9	7%	0.074	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	143.8	174	0	0	0	0	0	111	V25 L26 S49 V51 T92	V25-A47 CarbonylContact O-C 3.55Å; V25-A47 WeakPolarHBondContact O-CA 3.12Å; L26-A47 HydrophobicContact CD2-CB 3.57Å; A47-S49 WeakPolarHBondContact CB-O 2.74Å; A47-S49 PolarHBondContact O-N 3.47Å; A47-V51 HydrophobicContact CB-CG2 3.84Å; A47-T92 PolarHBondContact N-O 3.38Å
48	S	91.7	Very high	94.5	Very high	78 Å²	78	50.2 Å²	50.2	55%	0.545	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	-20.7	175.3	62.4	0	0	0	0	113.3	V25	V25-S48 PolarHBondContact N-OG 3.46Å; V25-S48 PolarHBondContact O-N 2.93Å
49	S	90.6	Very high	94.4	Very high	47 Å²	47	49.5 Å²	49.5	33%	0.329	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	170.3	173.2	91.2	0	0	0	0	111	N24 A47 V51	N24-S49 VanDerWaalsContact CG-OG 3.31Å; N24-S49 WeakPolarHBondContact OD1-CB 3.48Å; N24-S49 PolarHBondContact OD1-OG 2.77Å; A47-S49 WeakPolarHBondContact CB-O 2.74Å; A47-S49 PolarHBondContact O-N 3.47Å; S49-V51 PolarHBondContact O-N 2.9Å
50	S	91.8	Very high	94.4	Very high	88 Å²	88	45.5 Å²	45.5	62%	0.615	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65	126.1	-176.8	-170.2	0	0	0	0	111.5	G91	S50-G91 WeakPolarHBondContact CA-O 3.2Å; S50-G91 WeakPolarHBondContact OG-CA 3.32Å
51	V	90.8	Very high	94.3	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.018	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	140.1	173.9	178.3	0	0	0	0	108.1	A47 S49 L56 G91 Y94 Q113	A47-V51 HydrophobicContact CB-CG2 3.84Å; S49-V51 PolarHBondContact O-N 2.9Å; V51-L56 HydrophobicContact CG1-CB 4.47Å; V51-G91 PolarHBondContact N-O 3.29Å; V51-Y94 HydrophobicContact CB-CE2 4.33Å; V51-Y94 WeakPolarHBondContact CB-OH 3.49Å; V51-Y94 PolarHBondContact O-OH 2.88Å; V51-Q113 HydrophobicContact CG1-CB 3.84Å; V51-Q113 HydrophobicContact CG2-CB 4.03Å; V51-Q113 HydrophobicContact CG2-CG 4.32Å
52	S	93	Very high	94.2	Very high	60 Å²	60	45.3 Å²	45.3	42%	0.42	25%	0.248	S	C	.	.			trans	-66.8	137.2	169.8	176.8	0	0	0	0	108.8	S54 Y55	S52-S54 WeakPolarHBondContact CB-OG 3.38Å; S52-S54 PolarHBondContact O-N 3.02Å; S52-S54 PolarHBondContact OG-N 3.36Å; S52-S54 PolarHBondContact OG-OG 2.68Å; S52-Y55 PolarHBondContact O-N 3.16Å
53	S	93.2	Very high	93.9	Very high	40 Å²	40	48.8 Å²	48.8	28%	0.28	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-56.2	-24.2	174.8	-63.3	0	0	0	0	112.7	Y55 S73 T74 G89	S53-Y55 PolarHBondContact O-N 2.96Å; S53-S73 CarbonylContact O-C 3.53Å; S53-S73 WeakPolarHBondContact O-CA 3.47Å; S53-T74 VanDerWaalsContact CA-OG1 3.3Å; S53-T74 WeakPolarHBondContact CA-OG1 3.45Å; S53-T74 WeakPolarHBondContact CB-OG1 3.29Å; S53-T74 PolarHBondContact O-N 2.89Å; S53-T74 PolarHBondContact O-OG1 3.31Å; S53-G89 PolarHBondContact OG-O 3.37Å
54	S	94.4	Very high	93.8	Very high	55 Å²	55	52.9 Å²	52.9	39%	0.385	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-66.5	-17.3	173.7	63	0	0	0	0	114.7	S52	S52-S54 WeakPolarHBondContact CB-OG 3.38Å; S52-S54 PolarHBondContact O-N 3.02Å; S52-S54 PolarHBondContact OG-N 3.36Å; S52-S54 PolarHBondContact OG-OG 2.68Å
55	Y	92.8	Very high	93.6	Very high	111 Å²	111	53.1 Å²	53.1	44%	0.435	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-108.9	-3.4	-174.7	-63.3	-46.6	0	0	0	113.9	S52 S53 H57 Q113 Y114	S52-Y55 PolarHBondContact O-N 3.16Å; S53-Y55 PolarHBondContact O-N 2.96Å; Y55-H57 PolarHBondContact O-CD2 2.89Å; Y55-H57 VanDerWaalsContact O-CD2 3.26Å; Y55-Q113 CarbonylContact O-C 3.5Å; Y55-Q113 VanDerWaalsContact O-CA 3.27Å; Y55-Q113 WeakPolarHBondContact O-CA 3.48Å; Y55-Y114 PolarHBondContact O-N 2.69Å
56	L	94.2	Very high	93.5	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	126.6	178.4	-170.7	-82.1	0	0	0	110.1	V51 S73 T74 Y94 C111 Q112	V51-L56 HydrophobicContact CG1-CB 4.47Å; L56-S73 PolarHBondContact O-N 3.02Å; L56-T74 PolarHBondContact O-N 3.07Å; L56-Y94 HydrophobicContact CB-CD1 4.17Å; L56-Y94 HydrophobicContact CB-CE1 3.92Å; L56-Y94 HydrophobicContact CD1-CD1 3.84Å; L56-Y94 HydrophobicContact CD1-CE1 4.46Å; L56-Y94 HydrophobicContact CD1-CG 3.88Å; L56-Y94 HydrophobicContact CG-CD1 3.74Å; L56-Y94 HydrophobicContact CG-CD2 3.93Å; L56-Y94 HydrophobicContact CG-CE1 3.96Å; L56-Y94 HydrophobicContact CG-CE2 4.15Å; L56-Y94 HydrophobicContact CG-CG 3.7Å; L56-C111 HydrophobicContact CD2-CB 3.98Å; L56-Q112 WeakPolarHBondContact CA-O 3.3Å; L56-Q112 WeakPolarHBondContact CD2-O 3.34Å
57	H	95.5	Very high	93.5	Very high	21 Å²	21	52.9 Å²	52.9	10%	0.097	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	151.7	-179.9	-55.6	-85.7	0	0	0	110.4	Y55 Y59 L69 I71 Y72 C111 Q112 Y114	Y55-H57 PolarHBondContact O-CD2 2.89Å; Y55-H57 VanDerWaalsContact O-CD2 3.26Å; H57-Y59 HydrophobicContact CB-CD2 4.45Å; H57-Y59 HydrophobicContact CB-CE2 3.74Å; H57-L69 HydrophobicContact CB-CD1 3.97Å; H57-I71 CarbonylContact C-O 3.51Å; H57-I71 VanDerWaalsContact CA-O 3.31Å; H57-I71 WeakPolarHBondContact CA-O 3.38Å; H57-Y72 VanDerWaalsContact ND1-CA 3.29Å; H57-Y72 WeakPolarHBondContact ND1-CA 3.44Å; H57-Y72 VanDerWaalsContact ND1-CB 3.28Å; H57-Y72 WeakPolarHBondContact ND1-CB 3.4Å; H57-C111 CarbonylContact O-C 3.54Å; H57-C111 VanDerWaalsContact O-CA 3.24Å; H57-C111 WeakPolarHBondContact O-CA 3.36Å; H57-Q112 PolarHBondContact N-O 2.84Å; H57-Q112 PolarHBondContact O-N 3.36Å; H57-Y114 AromaticContact CD2-CD2 3.28Å; H57-Y114 WeakPolarHBondContact CD2-CD2 3.47Å; H57-Y114 AromaticContact CD2-CE2 3.22Å; H57-Y114 WeakPolarHBondContact CD2-CE2 3.46Å; H57-Y114 AromaticContact NE2-CD2 3.31Å; H57-Y114 VanDerWaalsContact NE2-CD2 3.31Å; H57-Y114 WeakPolarHBondContact NE2-CD2 3.48Å; H57-Y114 AromaticContact NE2-CE2 3.49Å; H57-Y114 WeakPolarHBondContact NE2-CE2 3.23Å
58	W	96.7	Very high	93.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	140.1	169	-69.1	95.8	0	0	0	109.9	M43 C45 W70 I71 L96 Y110 C111	M43-W58 HydrophobicContact CE-CE3 3.99Å; M43-W58 HydrophobicContact CE-CH2 4.04Å; M43-W58 HydrophobicContact CE-CZ3 3.32Å; M43-W58 HydrophobicContact CG-CH2 4.21Å; M43-W58 HydrophobicContact CG-CZ3 4.36Å; M43-W58 HydrophobicContact SD-CZ3 4.28Å; C45-W58 HydrophobicContact CB-CH2 3.57Å; C45-W58 HydrophobicContact CB-CZ2 3.73Å; C45-W58 HydrophobicContact CB-CZ3 4.48Å; W58-W70 WeakPolarHBondContact O-CA 3.38Å; W58-W70 WeakPolarHBondContact O-CB 3.18Å; W58-W70 PolarHBondContact O-N 2.92Å; W58-I71 HydrophobicContact CB-CB 4.03Å; W58-I71 HydrophobicContact CB-CG1 4.39Å; W58-I71 HydrophobicContact CG-CB 4.44Å; W58-I71 PolarHBondContact N-O 3.01Å; W58-I71 PolarHBondContact O-N 2.87Å; W58-I71 VanDerWaalsContact O-N 3.09Å; W58-L96 HydrophobicContact CD2-CB 3.72Å; W58-L96 HydrophobicContact CD2-CD2 4.21Å; W58-L96 HydrophobicContact CD2-CG 4.4Å; W58-L96 HydrophobicContact CE3-CB 3.94Å; W58-L96 HydrophobicContact CE3-CD2 3.96Å; W58-L96 HydrophobicContact CG-CB 4.31Å; W58-L96 HydrophobicContact CG-CD1 4.37Å; W58-L96 HydrophobicContact CH2-CB 3.95Å; W58-L96 HydrophobicContact CZ2-CB 3.74Å; W58-L96 HydrophobicContact CZ3-CB 4.07Å; W58-L96 HydrophobicContact CZ3-CD2 4.46Å; W58-Y110 CarbonylContact C-O 3.59Å; W58-Y110 WeakPolarHBondContact CA-O 3.34Å; W58-C111 HydrophobicContact CD2-CB 4.12Å; W58-C111 HydrophobicContact CE3-CB 3.88Å; W58-C111 HydrophobicContact CH2-CB 3.94Å; W58-C111 HydrophobicContact CZ2-CB 4.16Å; W58-C111 HydrophobicContact CZ3-CB 3.76Å
59	Y	96.3	Very high	93.9	Very high	30 Å²	30	58.1 Å²	58.1	12%	0.118	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	149.7	176.4	-68.6	-99.3	0	0	0	110.3	H57 P67 K68 L69 Y109 Y110 Q112 Y114	H57-Y59 HydrophobicContact CB-CD2 4.45Å; H57-Y59 HydrophobicContact CB-CE2 3.74Å; Y59-P67 HydrophobicContact CD1-CB 4.38Å; Y59-K68 CarbonylContact C-O 3.56Å; Y59-K68 WeakPolarHBondContact CA-O 3.39Å; Y59-K68 WeakPolarHBondContact CD1-O 3.45Å; Y59-L69 HydrophobicContact CD1-CB 4.45Å; Y59-L69 HydrophobicContact CE1-CB 4.07Å; Y59-L69 HydrophobicContact CE1-CD1 4.12Å; Y59-L69 HydrophobicContact CE2-CD1 4.28Å; Y59-Y109 VanDerWaalsContact O-CA 3.26Å; Y59-Y109 WeakPolarHBondContact O-CA 3.18Å; Y59-Y110 VanDerWaalsContact CB-CE2 3.41Å; Y59-Y110 WeakPolarHBondContact CB-OH 3.23Å; Y59-Y110 HydrophobicContact CD1-CE2 4.37Å; Y59-Y110 HydrophobicContact CD2-CD2 4.08Å; Y59-Y110 AromaticContact CD2-CE2 3.49Å; Y59-Y110 HydrophobicContact CD2-CE2 3.49Å; Y59-Y110 VanDerWaalsContact CD2-CE2 3.49Å; Y59-Y110 HydrophobicContact CE2-CE2 4.4Å; Y59-Y110 HydrophobicContact CG-CD2 4.29Å; Y59-Y110 HydrophobicContact CG-CE1 4.4Å; Y59-Y110 AromaticContact CG-CE2 3.5Å; Y59-Y110 HydrophobicContact CG-CE2 3.5Å; Y59-Y110 VanDerWaalsContact CG-CE2 3.5Å; Y59-Y110 AromaticContact CG-CZ 3.57Å; Y59-Y110 PolarHBondContact N-O 3.22Å; Y59-Y110 PolarHBondContact O-N 3.33Å; Y59-Y110 VanDerWaalsContact O-N 3.07Å; Y59-Q112 HydrophobicContact CD2-CB 4.32Å; Y59-Q112 HydrophobicContact CE2-CB 3.97Å; Y59-Y114 PolarHBondContact OH-OH 2.99Å
60	Q	96.1	Very high	94.2	Very high	9 Å²	9	57.3 Å²	57.3	4%	0.042	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.8	168.6	-174.5	-166.4	61.7	0	0	108.9	P67 K68 W70 A107 T108 Y109	Q60-P67 WeakPolarHBondContact O-CA 3.26Å; Q60-K68 PolarHBondContact N-O 3.38Å; Q60-K68 PolarHBondContact O-N 3.2Å; Q60-W70 HydrophobicContact CB-CB 4.38Å; Q60-W70 HydrophobicContact CB-CD2 3.88Å; Q60-W70 HydrophobicContact CB-CE3 3.87Å; Q60-W70 HydrophobicContact CB-CG 4.13Å; Q60-W70 HydrophobicContact CB-CZ3 4.49Å; Q60-A107 HydrophobicContact CG-CB 3.49Å; Q60-A107 VanDerWaalsContact CG-CB 3.49Å; Q60-T108 CarbonylContact C-O 3.6Å; Q60-Y109 HydrophobicContact CB-CD1 4.02Å; Q60-Y109 HydrophobicContact CB-CE1 3.81Å; Q60-Y109 HydrophobicContact CG-CD1 4.18Å; Q60-Y109 HydrophobicContact CG-CE1 3.7Å; Q60-Y109 HydrophobicContact CG-CE2 4.37Å; Q60-Y109 PolarHBondContact NE2-OH 2.79Å
61	Q	95.5	Very high	94.5	Very high	69 Å²	69	53.1 Å²	53.1	32%	0.322	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	113.4	172.7	-172.6	177.4	15.9	0	0	110.1	A65 P67 A107 T108 Y110	Q61-A65 WeakPolarHBondContact CG-O 3.4Å; Q61-A65 PolarHBondContact NE2-O 2.85Å; Q61-A65 VanDerWaalsContact NE2-O 3.08Å; Q61-P67 HydrophobicContact CB-CB 4.27Å; Q61-P67 HydrophobicContact CB-CG 4.25Å; Q61-P67 HydrophobicContact CG-CG 4.11Å; Q61-A107 WeakPolarHBondContact O-CB 3.5Å; Q61-T108 PolarHBondContact N-O 3.04Å; Q61-T108 PolarHBondContact O-N 2.85Å; Q61-Y110 HydrophobicContact CB-CE1 4.36Å
62	K	93.5	Very high	94.8	Very high	90 Å²	90	57.6 Å²	57.6	39%	0.391	34%	0.335	S	S	.	.			trans	-80.4	156.5	169.9	-65.9	-169.9	172.9	-166.7	0	110	G64 A65 E104 A107	K62-G64 PolarHBondContact O-N 3.09Å; K62-A65 HydrophobicContact CB-CB 4.18Å; K62-A65 WeakPolarHBondContact O-CB 3.16Å; K62-A65 PolarHBondContact O-N 2.81Å; K62-E104 WeakPolarHBondContact CE-O 3.34Å; K62-E104 PolarHBondContact NZ-O 2.85Å; K62-A107 HydrophobicContact CG-CB 4.23Å
63	S	91.2	Very high	95	Very high	134 Å²	134	56.4 Å²	56.4	94%	0.937	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	126.6	178.2	-172	0	0	0	0	111.1	A65	S63-A65 PolarHBondContact O-N 2.78Å
64	G	92.4	Very high	95.2	Very high	91 Å²	91	54.8 Å²	54.8	94%	0.938	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	-0.6	-178.9	0	0	0	0	0	116.1	K62	K62-G64 PolarHBondContact O-N 3.09Å
65	A	94	Very high	95.3	Very high	38 Å²	38	55.5 Å²	55.5	31%	0.314	32%	0.319	S	S	.	.	S	Bend	trans	-98	155.3	178.3	0	0	0	0	0	111.9	Q61 K62 S63	Q61-A65 WeakPolarHBondContact CG-O 3.4Å; Q61-A65 PolarHBondContact NE2-O 2.85Å; Q61-A65 VanDerWaalsContact NE2-O 3.08Å; K62-A65 HydrophobicContact CB-CB 4.18Å; K62-A65 WeakPolarHBondContact O-CB 3.16Å; K62-A65 PolarHBondContact O-N 2.81Å; S63-A65 PolarHBondContact O-N 2.78Å
66	S	93.3	Very high	95.6	Very high	87 Å²	87	53.5 Å²	53.5	61%	0.608	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-66.7	147.4	165.3	63.4	0	0	0	0	109.7
67	P	94.5	Very high	95.8	Very high	50 Å²	50	56.3 Å²	56.3	33%	0.325	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-61.6	147.6	172.4	-20.9	31	0	0	0	113.3	Y59 Q60 Q61 Y110	Y59-P67 HydrophobicContact CD1-CB 4.38Å; Q60-P67 WeakPolarHBondContact O-CA 3.26Å; Q61-P67 HydrophobicContact CB-CB 4.27Å; Q61-P67 HydrophobicContact CB-CG 4.25Å; Q61-P67 HydrophobicContact CG-CG 4.11Å; P67-Y110 HydrophobicContact CB-CE1 3.73Å; P67-Y110 WeakPolarHBondContact CB-OH 3.5Å; P67-Y110 HydrophobicContact CG-CE1 3.94Å; P67-Y110 WeakPolarHBondContact CG-OH 3.48Å
68	K	96.1	Very high	95.9	Very high	129 Å²	129	56.1 Å²	56.1	56%	0.561	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123	138	179.1	-63.4	-177.2	-179.3	-178.2	0	109.7	Y59 Q60 W70	Y59-K68 CarbonylContact C-O 3.56Å; Y59-K68 WeakPolarHBondContact CA-O 3.39Å; Y59-K68 WeakPolarHBondContact CD1-O 3.45Å; Q60-K68 PolarHBondContact N-O 3.38Å; Q60-K68 PolarHBondContact O-N 3.2Å; K68-W70 PolarHBondContact O-N 3.02Å
69	L	96.5	Very high	96	Very high	69 Å²	69	62.5 Å²	62.5	36%	0.361	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	127.4	171.4	-178.3	65.3	0	0	0	108.8	H57 Y59 A78	H57-L69 HydrophobicContact CB-CD1 3.97Å; Y59-L69 HydrophobicContact CD1-CB 4.45Å; Y59-L69 HydrophobicContact CE1-CB 4.07Å; Y59-L69 HydrophobicContact CE1-CD1 4.12Å; Y59-L69 HydrophobicContact CE2-CD1 4.28Å; L69-A78 HydrophobicContact CG-CB 4.33Å; L69-A78 WeakPolarHBondContact O-CB 3.38Å
70	W	96.8	Very high	96	Very high	30 Å²	30	64.5 Å²	64.5	11%	0.114	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-52	-175.2	-152.5	-112.8	0	0	0	111	W58 Q60 K68 A78 V81 F85	W58-W70 WeakPolarHBondContact O-CA 3.38Å; W58-W70 WeakPolarHBondContact O-CB 3.18Å; W58-W70 PolarHBondContact O-N 2.92Å; Q60-W70 HydrophobicContact CB-CB 4.38Å; Q60-W70 HydrophobicContact CB-CD2 3.88Å; Q60-W70 HydrophobicContact CB-CE3 3.87Å; Q60-W70 HydrophobicContact CB-CG 4.13Å; Q60-W70 HydrophobicContact CB-CZ3 4.49Å; K68-W70 PolarHBondContact O-N 3.02Å; W70-A78 WeakPolarHBondContact O-CB 3.45Å; W70-A78 PolarHBondContact O-N 3.04Å; W70-V81 HydrophobicContact CD2-CB 4.4Å; W70-V81 HydrophobicContact CD2-CG1 4.03Å; W70-V81 HydrophobicContact CD2-CG2 3.52Å; W70-V81 HydrophobicContact CE3-CG2 3.53Å; W70-V81 HydrophobicContact CG-CG1 4.25Å; W70-V81 HydrophobicContact CG-CG2 4.06Å; W70-V81 HydrophobicContact CH2-CG2 4.08Å; W70-V81 HydrophobicContact CZ2-CB 4.37Å; W70-V81 HydrophobicContact CZ2-CG1 3.9Å; W70-V81 HydrophobicContact CZ2-CG2 4.09Å; W70-V81 HydrophobicContact CZ3-CG2 3.81Å; W70-V81 WeakPolarHBondContact O-CG2 3.22Å; W70-F85 AromaticContact CD1-CD1 3.71Å; W70-F85 HydrophobicContact CZ2-CD2 4.21Å; W70-F85 AromaticContact CZ2-CE2 3.81Å; W70-F85 HydrophobicContact CZ2-CE2 3.81Å; W70-F85 AromaticContact CZ2-CZ 3.99Å; W70-F85 HydrophobicContact CZ2-CZ 3.99Å; W70-F85 AromaticContact NE1-CD1 3.1Å; W70-F85 AromaticContact NE1-CD2 3.61Å; W70-F85 AromaticContact NE1-CE1 3.19Å; W70-F85 AromaticContact NE1-CE2 3.73Å; W70-F85 AromaticContact NE1-CG 3.32Å; W70-F85 VanDerWaalsContact NE1-CG 3.32Å; W70-F85 AromaticContact NE1-CZ 3.53Å
71	I	98.1	Very high	96.1	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	134.9	173.1	-51.3	-168.1	0	0	0	108	H57 W58 T74 N76 L77 S86 L96	H57-I71 CarbonylContact C-O 3.51Å; H57-I71 VanDerWaalsContact CA-O 3.31Å; H57-I71 WeakPolarHBondContact CA-O 3.38Å; W58-I71 HydrophobicContact CB-CB 4.03Å; W58-I71 HydrophobicContact CB-CG1 4.39Å; W58-I71 HydrophobicContact CG-CB 4.44Å; W58-I71 PolarHBondContact N-O 3.01Å; W58-I71 PolarHBondContact O-N 2.87Å; W58-I71 VanDerWaalsContact O-N 3.09Å; I71-T74 WeakPolarHBondContact CG2-O 3.36Å; I71-N76 CarbonylContact C-O 3.5Å; I71-N76 VanDerWaalsContact CA-O 3.29Å; I71-N76 WeakPolarHBondContact CA-O 3.31Å; I71-N76 VanDerWaalsContact CG2-O 3.31Å; I71-N76 WeakPolarHBondContact CG2-O 3.25Å; I71-L77 HydrophobicContact CD1-CD2 3.75Å; I71-L77 HydrophobicContact CG1-CD2 3.79Å; I71-S86 VanDerWaalsContact CD1-C 3.49Å; I71-L96 HydrophobicContact CD1-CD1 3.39Å; I71-L96 HydrophobicContact CG1-CD1 4.19Å
72	Y	96.6	Very high	96.2	Very high	97 Å²	97	63.2 Å²	63.2	38%	0.38	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	154.8	175.7	72.1	-85.7	0	0	0	111.7	H57 T74 S75 N76	H57-Y72 VanDerWaalsContact ND1-CA 3.29Å; H57-Y72 WeakPolarHBondContact ND1-CA 3.44Å; H57-Y72 VanDerWaalsContact ND1-CB 3.28Å; H57-Y72 WeakPolarHBondContact ND1-CB 3.4Å; Y72-T74 VanDerWaalsContact C-N 3.25Å; Y72-T74 PolarHBondContact O-N 2.92Å; Y72-S75 PolarHBondContact O-N 2.8Å; Y72-N76 HydrophobicContact CD1-CB 3.79Å; Y72-N76 VanDerWaalsContact CD1-O 3.25Å; Y72-N76 WeakPolarHBondContact CD1-O 3.31Å; Y72-N76 HydrophobicContact CD2-CB 3.94Å; Y72-N76 HydrophobicContact CE1-CB 3.41Å; Y72-N76 VanDerWaalsContact CE1-CB 3.41Å; Y72-N76 HydrophobicContact CE2-CB 3.58Å; Y72-N76 HydrophobicContact CG-CB 4.03Å; Y72-N76 PolarHBondContact N-O 3.13Å; Y72-N76 WeakPolarHBondContact O-CB 3.45Å; Y72-N76 PolarHBondContact O-N 3.19Å
73	S	96.8	Very high	96.4	Very high	35 Å²	35	63.6 Å²	63.6	25%	0.245	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	48.8	-177.8	-53	0	0	0	0	112.3	S53 L56 S75	S53-S73 CarbonylContact O-C 3.53Å; S53-S73 WeakPolarHBondContact O-CA 3.47Å; L56-S73 PolarHBondContact O-N 3.02Å; S73-S75 PolarHBondContact O-N 3.15Å
74	T	97.1	Very high	96.7	Very high	5 Å²	5	58.7 Å²	58.7	3%	0.031	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	-41.7	-177.1	-62.3	0	0	0	0	116.6	S53 L56 I71 Y72 G87 Y94	S53-T74 VanDerWaalsContact CA-OG1 3.3Å; S53-T74 WeakPolarHBondContact CA-OG1 3.45Å; S53-T74 WeakPolarHBondContact CB-OG1 3.29Å; S53-T74 PolarHBondContact O-N 2.89Å; S53-T74 PolarHBondContact O-OG1 3.31Å; L56-T74 PolarHBondContact O-N 3.07Å; I71-T74 WeakPolarHBondContact CG2-O 3.36Å; Y72-T74 VanDerWaalsContact C-N 3.25Å; Y72-T74 PolarHBondContact O-N 2.92Å; T74-G87 CarbonylContact O-C 3.53Å; T74-G87 WeakPolarHBondContact O-CA 3.02Å; T74-Y94 HydrophobicContact CG2-CD1 3.86Å; T74-Y94 HydrophobicContact CG2-CE1 4.24Å; T74-Y94 WeakPolarHBondContact OG1-CE1 3.43Å
75	S	98.1	Very high	97	Very high	70 Å²	70	54.6 Å²	54.6	49%	0.49	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.4	-8.7	-166.4	60.9	0	0	0	0	115.5	Y72 S73 G87	Y72-S75 PolarHBondContact O-N 2.8Å; S73-S75 PolarHBondContact O-N 3.15Å; S75-G87 WeakPolarHBondContact CB-O 3.49Å
76	N	98.4	Very high	97.2	Very high	69 Å²	69	55.5 Å²	55.5	37%	0.369	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	123	-179.4	-59.9	-49.9	0	0	0	110.4	I71 Y72	I71-N76 CarbonylContact C-O 3.5Å; I71-N76 VanDerWaalsContact CA-O 3.29Å; I71-N76 WeakPolarHBondContact CA-O 3.31Å; I71-N76 VanDerWaalsContact CG2-O 3.31Å; I71-N76 WeakPolarHBondContact CG2-O 3.25Å; Y72-N76 HydrophobicContact CD1-CB 3.79Å; Y72-N76 VanDerWaalsContact CD1-O 3.25Å; Y72-N76 WeakPolarHBondContact CD1-O 3.31Å; Y72-N76 HydrophobicContact CD2-CB 3.94Å; Y72-N76 HydrophobicContact CE1-CB 3.41Å; Y72-N76 VanDerWaalsContact CE1-CB 3.41Å; Y72-N76 HydrophobicContact CE2-CB 3.58Å; Y72-N76 HydrophobicContact CG-CB 4.03Å; Y72-N76 PolarHBondContact N-O 3.13Å; Y72-N76 WeakPolarHBondContact O-CB 3.45Å; Y72-N76 PolarHBondContact O-N 3.19Å
77	L	98.5	Very high	97.5	Very high	60 Å²	60	51.8 Å²	51.8	31%	0.314	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	133.6	175.7	-61.6	-176.9	0	0	0	110.3	I71 V81 F85	I71-L77 HydrophobicContact CD1-CD2 3.75Å; I71-L77 HydrophobicContact CG1-CD2 3.79Å; L77-V81 HydrophobicContact CB-CB 4.26Å; L77-V81 HydrophobicContact CB-CG1 4.45Å; L77-V81 HydrophobicContact CD2-CG1 3.91Å; L77-F85 HydrophobicContact CD2-CB 4.08Å
78	A	98.2	Very high	97.6	Very high	16 Å²	16	52.2 Å²	52.2	13%	0.132	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-66.4	160	168.4	0	0	0	0	0	110.6	L69 W70 G80 V81	L69-A78 HydrophobicContact CG-CB 4.33Å; L69-A78 WeakPolarHBondContact O-CB 3.38Å; W70-A78 WeakPolarHBondContact O-CB 3.45Å; W70-A78 PolarHBondContact O-N 3.04Å; A78-G80 PolarHBondContact O-N 2.81Å; A78-V81 HydrophobicContact CB-CG2 4.06Å; A78-V81 WeakPolarHBondContact O-CB 3.42Å; A78-V81 WeakPolarHBondContact O-CG2 3.36Å; A78-V81 PolarHBondContact O-N 2.82Å; A78-V81 VanDerWaalsContact O-N 3.16Å
79	S	97.7	Very high	97.7	Very high	134 Å²	134	47.8 Å²	47.8	94%	0.937	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	133.6	178.5	-172.9	0	0	0	0	111.5	V81	S79-V81 VanDerWaalsContact C-N 3.31Å
80	G	96.8	Very high	97.6	Very high	73 Å²	73	48.3 Å²	48.3	75%	0.753	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-1	-179	0	0	0	0	0	115.2	A78	A78-G80 PolarHBondContact O-N 2.81Å
81	V	97.7	Very high	97.5	Very high	17 Å²	17	47.9 Å²	47.9	10%	0.103	33%	0.332	C	S	.	.			trans	-79.8	126.5	176.2	176.7	0	0	0	0	110.6	W70 L77 A78 S79 F85	W70-V81 HydrophobicContact CD2-CB 4.4Å; W70-V81 HydrophobicContact CD2-CG1 4.03Å; W70-V81 HydrophobicContact CD2-CG2 3.52Å; W70-V81 HydrophobicContact CE3-CG2 3.53Å; W70-V81 HydrophobicContact CG-CG1 4.25Å; W70-V81 HydrophobicContact CG-CG2 4.06Å; W70-V81 HydrophobicContact CH2-CG2 4.08Å; W70-V81 HydrophobicContact CZ2-CB 4.37Å; W70-V81 HydrophobicContact CZ2-CG1 3.9Å; W70-V81 HydrophobicContact CZ2-CG2 4.09Å; W70-V81 HydrophobicContact CZ3-CG2 3.81Å; W70-V81 WeakPolarHBondContact O-CG2 3.22Å; L77-V81 HydrophobicContact CB-CB 4.26Å; L77-V81 HydrophobicContact CB-CG1 4.45Å; L77-V81 HydrophobicContact CD2-CG1 3.91Å; A78-V81 HydrophobicContact CB-CG2 4.06Å; A78-V81 WeakPolarHBondContact O-CB 3.42Å; A78-V81 WeakPolarHBondContact O-CG2 3.36Å; A78-V81 PolarHBondContact O-N 2.82Å; A78-V81 VanDerWaalsContact O-N 3.16Å; S79-V81 VanDerWaalsContact C-N 3.31Å; V81-F85 HydrophobicContact CG1-CB 3.89Å; V81-F85 HydrophobicContact CG1-CD2 4Å; V81-F85 HydrophobicContact CG1-CG 4.06Å
82	P	97.9	Very high	97.4	Very high	34 Å²	34	51.3 Å²	51.3	22%	0.221	35%	0.353	C	S	.	.			trans	-61	144.7	-179.8	-28.3	38.3	0	0	0	113.5	R84 F85	P82-R84 HydrophobicContact CB-CG 3.75Å; P82-R84 PolarHBondContact O-N 2.94Å; P82-F85 HydrophobicContact CB-CD2 4.14Å; P82-F85 HydrophobicContact CB-CE2 4.39Å; P82-F85 HydrophobicContact CG-CD2 4.44Å; P82-F85 HydrophobicContact CG-CE2 4.34Å; P82-F85 WeakPolarHBondContact O-CD2 2.97Å; P82-F85 PolarHBondContact O-N 3.04Å
83	A	97.9	Very high	97.4	Very high	98 Å²	98	49.3 Å²	49.3	81%	0.81	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-10.4	-179.5	0	0	0	0	0	114.4	F85	A83-F85 PolarHBondContact O-N 2.02Å
84	R	98.1	Very high	97.4	Very high	31 Å²	31	47.8 Å²	47.8	12%	0.117	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-18.8	170.5	57.2	169.8	-172.5	-83.5	-4.3	113.1	P82 I98 S99 S100 E102 E104 D105	P82-R84 HydrophobicContact CB-CG 3.75Å; P82-R84 PolarHBondContact O-N 2.94Å; R84-I98 HydrophobicContact CG-CG2 4.38Å; R84-I98 WeakPolarHBondContact O-CA 3.49Å; R84-S99 WeakPolarHBondContact CA-OG 3.22Å; R84-S99 WeakPolarHBondContact CB-OG 3.31Å; R84-S99 PolarHBondContact O-N 3.27Å; R84-S99 PolarHBondContact O-OG 3.2Å; R84-S100 WeakPolarHBondContact CD-O 3.28Å; R84-E102 IonicContact CZ-OE1 3.44Å; R84-E102 IonicContact CZ-OE2 3.29Å; R84-E102 VanDerWaalsContact CZ-OE2 3.29Å; R84-E102 IonicContact NE-OE1 3.76Å; R84-E102 IonicContact NH1-OE1 2.82Å; R84-E102 PolarHBondContact NH1-OE1 2.8Å; R84-E102 IonicContact NH1-OE2 2.93Å; R84-E102 PolarHBondContact NH1-OE2 3.41Å; R84-E102 IonicContact NH2-OE2 3.46Å; R84-E102 PolarHBondContact NH2-OE2 2.93Å; R84-E104 IonicContact CZ-OE1 3.71Å; R84-E104 IonicContact NH1-OE1 3.76Å; R84-E104 IonicContact NH2-OE1 2.76Å; R84-E104 PolarHBondContact NH2-OE1 2.83Å; R84-D105 IonicContact CZ-OD1 3.48Å; R84-D105 IonicContact CZ-OD2 3.67Å; R84-D105 IonicContact NE-OD1 3.4Å; R84-D105 PolarHBondContact NE-OD1 2.75Å; R84-D105 IonicContact NE-OD2 2.99Å; R84-D105 PolarHBondContact NE-OD2 3.25Å; R84-D105 IonicContact NH2-OD1 2.72Å; R84-D105 PolarHBondContact NH2-OD1 3.34Å; R84-D105 IonicContact NH2-OD2 3.59Å
85	F	98.4	Very high	97.4	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.018	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	145.2	174.7	-70.5	-91.9	0	0	0	111.4	W70 L77 V81 P82 A83 L96 T97 I98 D105 Y109	W70-F85 AromaticContact CD1-CD1 3.71Å; W70-F85 HydrophobicContact CZ2-CD2 4.21Å; W70-F85 AromaticContact CZ2-CE2 3.81Å; W70-F85 HydrophobicContact CZ2-CE2 3.81Å; W70-F85 AromaticContact CZ2-CZ 3.99Å; W70-F85 HydrophobicContact CZ2-CZ 3.99Å; W70-F85 AromaticContact NE1-CD1 3.1Å; W70-F85 AromaticContact NE1-CD2 3.61Å; W70-F85 AromaticContact NE1-CE1 3.19Å; W70-F85 AromaticContact NE1-CE2 3.73Å; W70-F85 AromaticContact NE1-CG 3.32Å; W70-F85 VanDerWaalsContact NE1-CG 3.32Å; W70-F85 AromaticContact NE1-CZ 3.53Å; L77-F85 HydrophobicContact CD2-CB 4.08Å; V81-F85 HydrophobicContact CG1-CB 3.89Å; V81-F85 HydrophobicContact CG1-CD2 4Å; V81-F85 HydrophobicContact CG1-CG 4.06Å; P82-F85 HydrophobicContact CB-CD2 4.14Å; P82-F85 HydrophobicContact CB-CE2 4.39Å; P82-F85 HydrophobicContact CG-CD2 4.44Å; P82-F85 HydrophobicContact CG-CE2 4.34Å; P82-F85 WeakPolarHBondContact O-CD2 2.97Å; P82-F85 PolarHBondContact O-N 3.04Å; A83-F85 PolarHBondContact O-N 2.02Å; F85-L96 HydrophobicContact CD1-CD1 4.24Å; F85-T97 CarbonylContact C-O 3.53Å; F85-T97 WeakPolarHBondContact CA-O 3.13Å; F85-I98 HydrophobicContact CD1-CD1 4.23Å; F85-I98 HydrophobicContact CD1-CG1 3.77Å; F85-I98 HydrophobicContact CE1-CB 4.38Å; F85-I98 HydrophobicContact CE1-CD1 3.4Å; F85-I98 VanDerWaalsContact CE1-CD1 3.4Å; F85-I98 HydrophobicContact CE1-CG1 3.46Å; F85-I98 VanDerWaalsContact CE1-CG1 3.46Å; F85-I98 HydrophobicContact CE1-CG2 4.2Å; F85-I98 HydrophobicContact CE2-CG2 4.43Å; F85-I98 HydrophobicContact CZ-CD1 3.88Å; F85-I98 HydrophobicContact CZ-CG1 4.18Å; F85-I98 HydrophobicContact CZ-CG2 4.13Å; F85-D105 HydrophobicContact CZ-CB 4.43Å; F85-D105 VanDerWaalsContact CZ-OD1 3.28Å; F85-D105 WeakPolarHBondContact CZ-OD1 3.34Å; F85-Y109 AromaticContact CE1-CE1 3.74Å; F85-Y109 HydrophobicContact CE1-CE1 3.74Å; F85-Y109 AromaticContact CE1-CZ 3.84Å; F85-Y109 WeakPolarHBondContact CE1-OH 3.37Å; F85-Y109 HydrophobicContact CZ-CE1 4.43Å; F85-Y109 WeakPolarHBondContact CZ-OH 3.22Å
86	S	98.3	Very high	97.4	Very high	58 Å²	58	45.3 Å²	45.3	41%	0.406	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	143.7	172.3	54.1	0	0	0	0	110.7	I71 L96 T97	I71-S86 VanDerWaalsContact CD1-C 3.49Å; S86-L96 WeakPolarHBondContact O-CA 3.24Å; S86-T97 PolarHBondContact N-O 3.44Å; S86-T97 PolarHBondContact O-N 2.94Å
87	G	98.1	Very high	97.4	Very high	9 Å²	9	42.8 Å²	42.8	9%	0.093	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	145.5	172.8	0	0	0	0	0	110.5	T74 S75 S95	T74-G87 CarbonylContact O-C 3.53Å; T74-G87 WeakPolarHBondContact O-CA 3.02Å; S75-G87 WeakPolarHBondContact CB-O 3.49Å; G87-S95 VanDerWaalsContact CA-O 3.29Å; G87-S95 WeakPolarHBondContact CA-O 3.49Å
88	S	97.9	Very high	97.3	Very high	58 Å²	58	40.1 Å²	40.1	41%	0.406	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	166.7	-178.3	71.5	0	0	0	0	111.9	Y94 S95	S88-Y94 CarbonylContact O-C 3.58Å; S88-Y94 VanDerWaalsContact O-CA 3.23Å; S88-Y94 WeakPolarHBondContact O-CA 3.32Å; S88-S95 PolarHBondContact N-O 3.26Å; S88-S95 PolarHBondContact O-N 3.06Å; S88-S95 PolarHBondContact OG-OG 3.22Å
89	G	97.1	Very high	97.3	Very high	37 Å²	37	42.4 Å²	42.4	38%	0.381	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	116.2	179.5	174	0	0	0	0	0	114.4	S53 S93	S53-G89 PolarHBondContact OG-O 3.37Å; G89-S93 CarbonylContact C-O 3.52Å; G89-S93 VanDerWaalsContact CA-O 3.23Å; G89-S93 WeakPolarHBondContact CA-O 3.13Å
90	S	96.1	Very high	97.3	Very high	80 Å²	80	38.3 Å²	38.3	56%	0.559	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-167.3	163.5	-178.1	58.8	0	0	0	0	110.6	T92 S93	S90-T92 PolarHBondContact O-N 2.84Å; S90-S93 PolarHBondContact N-O 2.9Å; S90-S93 PolarHBondContact O-N 2.8Å
91	G	94.5	Very high	97.3	Very high	21 Å²	21	34.9 Å²	34.9	22%	0.216	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64.1	-104.5	177.5	0	0	0	0	0	111.6	S50 V51 Y94	S50-G91 WeakPolarHBondContact CA-O 3.2Å; S50-G91 WeakPolarHBondContact OG-CA 3.32Å; V51-G91 PolarHBondContact N-O 3.29Å; G91-Y94 PolarHBondContact N-OH 2.97Å; G91-Y94 WeakPolarHBondContact O-CE2 3.21Å; G91-Y94 PolarHBondContact O-OH 3.27Å
92	T	94.6	Very high	97.3	Very high	71 Å²	71	37.6 Å²	37.6	44%	0.436	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-2	-175.5	56.1	0	0	0	0	113.8	R46 A47 S90	R46-T92 CarbonylContact C-O 2.96Å; R46-T92 WeakPolarHBondContact CA-O 3.28Å; A47-T92 PolarHBondContact N-O 3.38Å; S90-T92 PolarHBondContact O-N 2.84Å
93	S	96.8	Very high	97.1	Very high	55 Å²	55	38.7 Å²	38.7	39%	0.385	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	122.4	-172	-173.6	0	0	0	0	111.8	G89 S90	G89-S93 CarbonylContact C-O 3.52Å; G89-S93 VanDerWaalsContact CA-O 3.23Å; G89-S93 WeakPolarHBondContact CA-O 3.13Å; S90-S93 PolarHBondContact N-O 2.9Å; S90-S93 PolarHBondContact O-N 2.8Å
94	Y	97.1	Very high	96.9	Very high	3 Å²	3	39 Å²	39	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	158.5	-179.1	-57.3	-89.2	0	0	0	110.8	T44 C45 V51 L56 T74 S88 G91	T44-Y94 CarbonylContact C-O 3.57Å; T44-Y94 WeakPolarHBondContact CA-O 3.27Å; C45-Y94 PolarHBondContact N-O 2.84Å; C45-Y94 PolarHBondContact O-N 2.82Å; V51-Y94 HydrophobicContact CB-CE2 4.33Å; V51-Y94 WeakPolarHBondContact CB-OH 3.49Å; V51-Y94 PolarHBondContact O-OH 2.88Å; L56-Y94 HydrophobicContact CB-CD1 4.17Å; L56-Y94 HydrophobicContact CB-CE1 3.92Å; L56-Y94 HydrophobicContact CD1-CD1 3.84Å; L56-Y94 HydrophobicContact CD1-CE1 4.46Å; L56-Y94 HydrophobicContact CD1-CG 3.88Å; L56-Y94 HydrophobicContact CG-CD1 3.74Å; L56-Y94 HydrophobicContact CG-CD2 3.93Å; L56-Y94 HydrophobicContact CG-CE1 3.96Å; L56-Y94 HydrophobicContact CG-CE2 4.15Å; L56-Y94 HydrophobicContact CG-CG 3.7Å; T74-Y94 HydrophobicContact CG2-CD1 3.86Å; T74-Y94 HydrophobicContact CG2-CE1 4.24Å; T74-Y94 WeakPolarHBondContact OG1-CE1 3.43Å; S88-Y94 CarbonylContact O-C 3.58Å; S88-Y94 VanDerWaalsContact O-CA 3.23Å; S88-Y94 WeakPolarHBondContact O-CA 3.32Å; G91-Y94 PolarHBondContact N-OH 2.97Å; G91-Y94 WeakPolarHBondContact O-CE2 3.21Å; G91-Y94 PolarHBondContact O-OH 3.27Å
95	S	97.7	Very high	96.8	Very high	19 Å²	19	37.5 Å²	37.5	13%	0.133	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	151.5	172.8	75.7	0	0	0	0	112.7	M43 G87 S88	M43-S95 CarbonylContact O-C 3.56Å; M43-S95 WeakPolarHBondContact O-CA 3.31Å; M43-S95 VanDerWaalsContact O-CB 3.32Å; M43-S95 WeakPolarHBondContact O-CB 3.4Å; G87-S95 VanDerWaalsContact CA-O 3.29Å; G87-S95 WeakPolarHBondContact CA-O 3.49Å; S88-S95 PolarHBondContact N-O 3.26Å; S88-S95 PolarHBondContact O-N 3.06Å; S88-S95 PolarHBondContact OG-OG 3.22Å
96	L	97.8	Very high	96.7	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.8	166.2	175.4	65.9	0	0	0	107.1	T42 M43 W58 I71 F85 S86 Y109	T42-L96 CarbonylContact C-O 3.15Å; T42-L96 WeakPolarHBondContact CA-O 3.23Å; M43-L96 HydrophobicContact CE-CD2 3.95Å; M43-L96 PolarHBondContact N-O 2.87Å; M43-L96 PolarHBondContact O-N 2.85Å; W58-L96 HydrophobicContact CD2-CB 3.72Å; W58-L96 HydrophobicContact CD2-CD2 4.21Å; W58-L96 HydrophobicContact CD2-CG 4.4Å; W58-L96 HydrophobicContact CE3-CB 3.94Å; W58-L96 HydrophobicContact CE3-CD2 3.96Å; W58-L96 HydrophobicContact CG-CB 4.31Å; W58-L96 HydrophobicContact CG-CD1 4.37Å; W58-L96 HydrophobicContact CH2-CB 3.95Å; W58-L96 HydrophobicContact CZ2-CB 3.74Å; W58-L96 HydrophobicContact CZ3-CB 4.07Å; W58-L96 HydrophobicContact CZ3-CD2 4.46Å; I71-L96 HydrophobicContact CD1-CD1 3.39Å; I71-L96 HydrophobicContact CG1-CD1 4.19Å; F85-L96 HydrophobicContact CD1-CD1 4.24Å; S86-L96 WeakPolarHBondContact O-CA 3.24Å; L96-Y109 HydrophobicContact CD2-CD1 3.5Å; L96-Y109 VanDerWaalsContact CD2-CD1 3.5Å; L96-Y109 HydrophobicContact CD2-CE1 4.13Å; L96-Y109 HydrophobicContact CD2-CG 3.97Å
97	T	98	Very high	96.5	Very high	17 Å²	17	37.1 Å²	37.1	10%	0.104	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	134.2	177.5	-62.9	0	0	0	0	109.9	K40 V41 T42 F85 S86	K40-T97 HydrophobicContact CD-CG2 4.38Å; K40-T97 VanDerWaalsContact CE-CG2 3.42Å; K40-T97 HydrophobicContact CG-CG2 4.13Å; V41-T97 VanDerWaalsContact O-CA 3.32Å; V41-T97 WeakPolarHBondContact O-CA 3.29Å; T42-T97 PolarHBondContact OG1-OG1 3.4Å; F85-T97 CarbonylContact C-O 3.53Å; F85-T97 WeakPolarHBondContact CA-O 3.13Å; S86-T97 PolarHBondContact N-O 3.44Å; S86-T97 PolarHBondContact O-N 2.94Å
98	I	97.7	Very high	96.4	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	114.6	167	-41.4	-178	0	0	0	105.9	I7 K40 V41 R84 F85 S100 V101 D105	I7-I98 HydrophobicContact CD1-CD1 3.87Å; K40-I98 WeakPolarHBondContact CA-O 3.37Å; V41-I98 HydrophobicContact CG2-CB 3.79Å; V41-I98 HydrophobicContact CG2-CD1 3.91Å; V41-I98 HydrophobicContact CG2-CG1 3.82Å; V41-I98 PolarHBondContact N-O 2.72Å; V41-I98 PolarHBondContact O-N 2.83Å; R84-I98 HydrophobicContact CG-CG2 4.38Å; R84-I98 WeakPolarHBondContact O-CA 3.49Å; F85-I98 HydrophobicContact CD1-CD1 4.23Å; F85-I98 HydrophobicContact CD1-CG1 3.77Å; F85-I98 HydrophobicContact CE1-CB 4.38Å; F85-I98 HydrophobicContact CE1-CD1 3.4Å; F85-I98 VanDerWaalsContact CE1-CD1 3.4Å; F85-I98 HydrophobicContact CE1-CG1 3.46Å; F85-I98 VanDerWaalsContact CE1-CG1 3.46Å; F85-I98 HydrophobicContact CE1-CG2 4.2Å; F85-I98 HydrophobicContact CE2-CG2 4.43Å; F85-I98 HydrophobicContact CZ-CD1 3.88Å; F85-I98 HydrophobicContact CZ-CG1 4.18Å; F85-I98 HydrophobicContact CZ-CG2 4.13Å; I98-S100 VanDerWaalsContact C-N 3.34Å; I98-V101 HydrophobicContact CB-CG2 4.22Å; I98-V101 HydrophobicContact CG2-CG2 4.19Å; I98-D105 HydrophobicContact CD1-CB 4.33Å
99	S	98	Very high	96.3	Very high	64 Å²	64	35.4 Å²	35.4	45%	0.448	24%	0.237	S	C	.	.	S	Bend	trans	-73.2	-26.9	-173.3	60	0	0	0	0	113.6	R84	R84-S99 WeakPolarHBondContact CA-OG 3.22Å; R84-S99 WeakPolarHBondContact CB-OG 3.31Å; R84-S99 PolarHBondContact O-N 3.27Å; R84-S99 PolarHBondContact O-OG 3.2Å
100	S	97.4	Very high	96.1	Very high	47 Å²	47	36 Å²	36	33%	0.329	23%	0.228	S	C	.	.	S	Bend	trans	-150.7	97.8	179.6	168.6	0	0	0	0	108.4	R84 I98	R84-S100 WeakPolarHBondContact CD-O 3.28Å; I98-S100 VanDerWaalsContact C-N 3.34Å
101	V	97.1	Very high	96	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	21%	0.205	C	C	.	.			trans	-61.9	138.2	-178.5	169.9	0	0	0	0	111.1	V5 I7 A35 P37 G38 E39 V41 I98	V5-V101 HydrophobicContact CB-CG1 3.66Å; V5-V101 HydrophobicContact CG1-CG1 3.77Å; V5-V101 HydrophobicContact CG2-CG1 3.82Å; I7-V101 HydrophobicContact CD1-CG1 4.5Å; I7-V101 HydrophobicContact CD1-CG2 4.15Å; A35-V101 HydrophobicContact CB-CB 4.39Å; A35-V101 HydrophobicContact CB-CG1 4.37Å; A35-V101 HydrophobicContact CB-CG2 4.11Å; P37-V101 CarbonylContact C-O 3.51Å; P37-V101 VanDerWaalsContact CA-O 3.23Å; P37-V101 WeakPolarHBondContact CA-O 3.28Å; G38-V101 PolarHBondContact N-O 2.79Å; E39-V101 WeakPolarHBondContact O-CG2 3.29Å; E39-V101 PolarHBondContact O-N 2.87Å; V41-V101 HydrophobicContact CB-CG2 4.36Å; V41-V101 HydrophobicContact CG1-CG2 3.92Å; V41-V101 HydrophobicContact CG2-CG2 3.59Å; I98-V101 HydrophobicContact CB-CG2 4.22Å; I98-V101 HydrophobicContact CG2-CG2 4.19Å
102	E	96.7	Very high	95.9	Very high	75 Å²	75	34.8 Å²	34.8	35%	0.35	21%	0.209	S	C	.	.			trans	-118.5	160.7	171	-68.5	171.1	-154.1	0	0	110.7	R84 E104 D105	R84-E102 IonicContact CZ-OE1 3.44Å; R84-E102 IonicContact CZ-OE2 3.29Å; R84-E102 VanDerWaalsContact CZ-OE2 3.29Å; R84-E102 IonicContact NE-OE1 3.76Å; R84-E102 IonicContact NH1-OE1 2.82Å; R84-E102 PolarHBondContact NH1-OE1 2.8Å; R84-E102 IonicContact NH1-OE2 2.93Å; R84-E102 PolarHBondContact NH1-OE2 3.41Å; R84-E102 IonicContact NH2-OE2 3.46Å; R84-E102 PolarHBondContact NH2-OE2 2.93Å; E102-E104 HydrophobicContact CB-CG 3.96Å; E102-E104 PolarHBondContact O-N 2.87Å; E102-E104 VanDerWaalsContact O-N 3.13Å; E102-D105 PolarHBondContact N-OD2 2.92Å; E102-D105 VanDerWaalsContact O-CB 3.3Å; E102-D105 WeakPolarHBondContact O-CB 3.37Å; E102-D105 PolarHBondContact O-N 2.84Å
103	A	93.8	Very high	95.7	Very high	56 Å²	56	32.7 Å²	32.7	46%	0.463	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-57.3	-31.2	-179.5	0	0	0	0	0	113.2	F3 D105 A106	F3-A103 HydrophobicContact CE1-CB 3.76Å; F3-A103 HydrophobicContact CZ-CB 4.38Å; A103-D105 PolarHBondContact O-N 2.87Å; A103-A106 PolarHBondContact O-N 2.81Å
104	E	94.3	Very high	95	Very high	104 Å²	104	33.9 Å²	33.9	49%	0.486	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-73	-11.1	178.4	59.6	174.3	-134.2	0	0	114.9	K62 R84 E102 A106	K62-E104 WeakPolarHBondContact CE-O 3.34Å; K62-E104 PolarHBondContact NZ-O 2.85Å; R84-E104 IonicContact CZ-OE1 3.71Å; R84-E104 IonicContact NH1-OE1 3.76Å; R84-E104 IonicContact NH2-OE1 2.76Å; R84-E104 PolarHBondContact NH2-OE1 2.83Å; E102-E104 HydrophobicContact CB-CG 3.96Å; E102-E104 PolarHBondContact O-N 2.87Å; E102-E104 VanDerWaalsContact O-N 3.13Å; E104-A106 VanDerWaalsContact C-N 3.26Å
105	D	95.7	Very high	93.9	Very high	1 Å²	1	36 Å²	36	1%	0.005	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-82	-5.1	178	-62	-31.9	0	0	0	112.3	R84 F85 I98 E102 A103 A107 Y109	R84-D105 IonicContact CZ-OD1 3.48Å; R84-D105 IonicContact CZ-OD2 3.67Å; R84-D105 IonicContact NE-OD1 3.4Å; R84-D105 PolarHBondContact NE-OD1 2.75Å; R84-D105 IonicContact NE-OD2 2.99Å; R84-D105 PolarHBondContact NE-OD2 3.25Å; R84-D105 IonicContact NH2-OD1 2.72Å; R84-D105 PolarHBondContact NH2-OD1 3.34Å; R84-D105 IonicContact NH2-OD2 3.59Å; F85-D105 HydrophobicContact CZ-CB 4.43Å; F85-D105 VanDerWaalsContact CZ-OD1 3.28Å; F85-D105 WeakPolarHBondContact CZ-OD1 3.34Å; I98-D105 HydrophobicContact CD1-CB 4.33Å; E102-D105 PolarHBondContact N-OD2 2.92Å; E102-D105 VanDerWaalsContact O-CB 3.3Å; E102-D105 WeakPolarHBondContact O-CB 3.37Å; E102-D105 PolarHBondContact O-N 2.84Å; A103-D105 PolarHBondContact O-N 2.87Å; D105-A107 PolarHBondContact O-N 3.28Å; D105-Y109 WeakPolarHBondContact O-CE2 3.38Å; D105-Y109 PolarHBondContact O-OH 3.32Å
106	A	95.2	Very high	92.2	Very high	47 Å²	47	36.7 Å²	36.7	39%	0.388	22%	0.216	S	C	.	.			trans	-60.2	103.3	171.9	0	0	0	0	0	110.7	V5 Q6 A103 E104	V5-A106 HydrophobicContact CG1-CB 3.87Å; Q6-A106 WeakPolarHBondContact O-CA 3.43Å; A103-A106 PolarHBondContact O-N 2.81Å; E104-A106 VanDerWaalsContact C-N 3.26Å
107	A	95.6	Very high	90	Very high	6 Å²	6	45.6 Å²	45.6	5%	0.05	25%	0.251	C	S	.	.	S	Bend	trans	-162.3	168.4	-176.4	0	0	0	0	0	111.1	F8 Q60 Q61 K62 D105 Y109	F8-A107 PolarHBondContact N-O 2.86Å; Q60-A107 HydrophobicContact CG-CB 3.49Å; Q60-A107 VanDerWaalsContact CG-CB 3.49Å; Q61-A107 WeakPolarHBondContact O-CB 3.5Å; K62-A107 HydrophobicContact CG-CB 4.23Å; D105-A107 PolarHBondContact O-N 3.28Å; A107-Y109 HydrophobicContact CB-CD2 4.2Å; A107-Y109 HydrophobicContact CB-CE2 3.73Å
108	T	95.2	Very high	87.4	Confident	30 Å²	30	49.7 Å²	49.7	18%	0.184	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	130.3	162.7	-58.3	0	0	0	0	108.9	F8 F10 Q60 Q61	F8-T108 HydrophobicContact CB-CG2 4.34Å; F8-T108 CarbonylContact O-C 3.53Å; F8-T108 WeakPolarHBondContact O-CA 3.3Å; F10-T108 HydrophobicContact CB-CG2 3.79Å; Q60-T108 CarbonylContact C-O 3.6Å; Q61-T108 PolarHBondContact N-O 3.04Å; Q61-T108 PolarHBondContact O-N 2.85Å
109	Y	95.6	Very high	84.4	Confident	1 Å²	1	60.9 Å²	60.9	0%	0.004	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139.2	176	-68.5	-100	0	0	0	110	I7 F8 Q28 M43 Y59 Q60 F85 L96 D105 A107	I7-Y109 HydrophobicContact CG2-CD2 3.6Å; I7-Y109 HydrophobicContact CG2-CE2 3.84Å; F8-Y109 PolarHBondContact O-N 3.18Å; Q28-Y109 PolarHBondContact NE2-O 3.02Å; M43-Y109 HydrophobicContact CE-CG 4.32Å; Y59-Y109 VanDerWaalsContact O-CA 3.26Å; Y59-Y109 WeakPolarHBondContact O-CA 3.18Å; Q60-Y109 HydrophobicContact CB-CD1 4.02Å; Q60-Y109 HydrophobicContact CB-CE1 3.81Å; Q60-Y109 HydrophobicContact CG-CD1 4.18Å; Q60-Y109 HydrophobicContact CG-CE1 3.7Å; Q60-Y109 HydrophobicContact CG-CE2 4.37Å; Q60-Y109 PolarHBondContact NE2-OH 2.79Å; F85-Y109 AromaticContact CE1-CE1 3.74Å; F85-Y109 HydrophobicContact CE1-CE1 3.74Å; F85-Y109 AromaticContact CE1-CZ 3.84Å; F85-Y109 WeakPolarHBondContact CE1-OH 3.37Å; F85-Y109 HydrophobicContact CZ-CE1 4.43Å; F85-Y109 WeakPolarHBondContact CZ-OH 3.22Å; L96-Y109 HydrophobicContact CD2-CD1 3.5Å; L96-Y109 VanDerWaalsContact CD2-CD1 3.5Å; L96-Y109 HydrophobicContact CD2-CE1 4.13Å; L96-Y109 HydrophobicContact CD2-CG 3.97Å; D105-Y109 WeakPolarHBondContact O-CE2 3.38Å; D105-Y109 PolarHBondContact O-OH 3.32Å; A107-Y109 HydrophobicContact CB-CD2 4.2Å; A107-Y109 HydrophobicContact CB-CE2 3.73Å
110	Y	92.9	Very high	83.8	Confident	49 Å²	49	60.8 Å²	60.8	19%	0.192	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	147.8	179.4	63.1	-92.8	0	0	0	113	W58 Y59 Q61 P67	W58-Y110 CarbonylContact C-O 3.59Å; W58-Y110 WeakPolarHBondContact CA-O 3.34Å; Y59-Y110 VanDerWaalsContact CB-CE2 3.41Å; Y59-Y110 WeakPolarHBondContact CB-OH 3.23Å; Y59-Y110 HydrophobicContact CD1-CE2 4.37Å; Y59-Y110 HydrophobicContact CD2-CD2 4.08Å; Y59-Y110 AromaticContact CD2-CE2 3.49Å; Y59-Y110 HydrophobicContact CD2-CE2 3.49Å; Y59-Y110 VanDerWaalsContact CD2-CE2 3.49Å; Y59-Y110 HydrophobicContact CE2-CE2 4.4Å; Y59-Y110 HydrophobicContact CG-CD2 4.29Å; Y59-Y110 HydrophobicContact CG-CE1 4.4Å; Y59-Y110 AromaticContact CG-CE2 3.5Å; Y59-Y110 HydrophobicContact CG-CE2 3.5Å; Y59-Y110 VanDerWaalsContact CG-CE2 3.5Å; Y59-Y110 AromaticContact CG-CZ 3.57Å; Y59-Y110 PolarHBondContact N-O 3.22Å; Y59-Y110 PolarHBondContact O-N 3.33Å; Y59-Y110 VanDerWaalsContact O-N 3.07Å; Q61-Y110 HydrophobicContact CB-CE1 4.36Å; P67-Y110 HydrophobicContact CB-CE1 3.73Å; P67-Y110 WeakPolarHBondContact CB-OH 3.5Å; P67-Y110 HydrophobicContact CG-CE1 3.94Å; P67-Y110 WeakPolarHBondContact CG-OH 3.48Å
111	C	94.5	Very high	83	Confident	10 Å²	10	61.5 Å²	61.5	7%	0.068	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	146.7	173.7	64.2	0	0	0	0	110.3	L26 Q28 C45 L56 H57 W58	L26-C111 WeakPolarHBondContact CD1-O 3.4Å; Q28-C111 VanDerWaalsContact CG-SG 3.57Å; Q28-C111 PolarHBondContact OE1-SG 2.56Å; Q28-C111 VanDerWaalsContact OE1-SG 3.37Å; C45-C111 HydrophobicContact CB-CB 3.55Å; C45-C111 WeakPolarHBondContact CB-SG 3.11Å; C45-C111 WeakPolarHBondContact SG-CB 3.36Å; C45-C111 CovalentContact SG-SG 2.02Å; C45-C111 PolarHBondContact SG-SG 3.08Å; L56-C111 HydrophobicContact CD2-CB 3.98Å; H57-C111 CarbonylContact O-C 3.54Å; H57-C111 VanDerWaalsContact O-CA 3.24Å; H57-C111 WeakPolarHBondContact O-CA 3.36Å; W58-C111 HydrophobicContact CD2-CB 4.12Å; W58-C111 HydrophobicContact CE3-CB 3.88Å; W58-C111 HydrophobicContact CH2-CB 3.94Å; W58-C111 HydrophobicContact CZ2-CB 4.16Å; W58-C111 HydrophobicContact CZ3-CB 3.76Å
112	Q	92.7	Very high	82.3	Confident	67 Å²	67	64.8 Å²	64.8	31%	0.313	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	143.8	176.8	179.6	173.8	2.1	0	0	109.9	L56 H57 Y59 Y114	L56-Q112 WeakPolarHBondContact CA-O 3.3Å; L56-Q112 WeakPolarHBondContact CD2-O 3.34Å; H57-Q112 PolarHBondContact N-O 2.84Å; H57-Q112 PolarHBondContact O-N 3.36Å; Y59-Q112 HydrophobicContact CD2-CB 4.32Å; Y59-Q112 HydrophobicContact CE2-CB 3.97Å; Q112-Y114 HydrophobicContact CG-CE1 4.23Å
113	Q	89.5	Confident	81.4	Confident	26 Å²	26	64.2 Å²	64.2	12%	0.121	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	147.4	174.3	68.9	76.6	25	0	0	111	N24 L26 V51 Y55 S115 G116	N24-Q113 HydrophobicContact CB-CG 4.25Å; L26-Q113 HydrophobicContact CD1-CB 4.13Å; L26-Q113 HydrophobicContact CD1-CG 4.01Å; L26-Q113 HydrophobicContact CD2-CB 4.41Å; L26-Q113 HydrophobicContact CD2-CG 4.12Å; L26-Q113 HydrophobicContact CG-CG 4.17Å; V51-Q113 HydrophobicContact CG1-CB 3.84Å; V51-Q113 HydrophobicContact CG2-CB 4.03Å; V51-Q113 HydrophobicContact CG2-CG 4.32Å; Y55-Q113 CarbonylContact O-C 3.5Å; Y55-Q113 VanDerWaalsContact O-CA 3.27Å; Y55-Q113 WeakPolarHBondContact O-CA 3.48Å; Q113-S115 PolarHBondContact OE1-OG 3.48Å; Q113-G116 PolarHBondContact NE2-O 3.18Å
114	Y	83.7	Confident	80.6	Confident	81 Å²	81	64.8 Å²	64.8	32%	0.318	34%	0.342	S	S	.	.			trans	-118.8	12.4	173.5	-62.2	-58.2	0	0	0	114.5	Y55 H57 Y59 Q112 G116	Y55-Y114 PolarHBondContact O-N 2.69Å; H57-Y114 AromaticContact CD2-CD2 3.28Å; H57-Y114 WeakPolarHBondContact CD2-CD2 3.47Å; H57-Y114 AromaticContact CD2-CE2 3.22Å; H57-Y114 WeakPolarHBondContact CD2-CE2 3.46Å; H57-Y114 AromaticContact NE2-CD2 3.31Å; H57-Y114 VanDerWaalsContact NE2-CD2 3.31Å; H57-Y114 WeakPolarHBondContact NE2-CD2 3.48Å; H57-Y114 AromaticContact NE2-CE2 3.49Å; H57-Y114 WeakPolarHBondContact NE2-CE2 3.23Å; Y59-Y114 PolarHBondContact OH-OH 2.99Å; Q112-Y114 HydrophobicContact CG-CE1 4.23Å; Y114-G116 PolarHBondContact O-N 3.07Å
115	S	73.1	Confident	79.7	Confident	48 Å²	48	62.1 Å²	62.1	34%	0.336	33%	0.332	S	S	.	.	S	Bend	trans	-67.8	-17	179.5	65.6	0	0	0	0	113.4	N24 Q113	N24-S115 PolarHBondContact ND2-OG 2.96Å; N24-S115 VanDerWaalsContact ND2-OG 3.08Å; Q113-S115 PolarHBondContact OE1-OG 3.48Å
116	G	61.9	Low	78.6	Confident	33 Å²	33	66.5 Å²	66.5	34%	0.34	36%	0.356	S	S	.	.	S	Bend	trans	-150.7	130	166.9	0	0	0	0	0	110.5	Q113 Y114	Q113-G116 PolarHBondContact NE2-O 3.18Å; Y114-G116 PolarHBondContact O-N 3.07Å
117	Y	51.1	Low	77.3	Confident	191 Å²	191	68 Å²	68	75%	0.749	35%	0.353	S	S	*	.			trans	-72	137.4	167.4	-61	-81.1	0	0	0	108.6	L119	Y117-L119 PolarHBondContact O-N 3.38Å
118	P	44.2	Very low	75.8	Confident	102 Å²	102	73.2 Å²	73.2	66%	0.662	38%	0.379	S	S	*	.			trans	-62.1	122.6	156.6	23.1	-21.1	0	0	0	106.9
119	L	35.1	Very low	74	Confident	240 Å²	240	77.1 Å²	77.1	100%	1.257	40%	0.396	S	S	*	.			trans	-72.8	0	164.7	-73.9	175.3	0	0	0	109.3	Y117	Y117-L119 PolarHBondContact O-N 3.38Å

Retrieved 119 of 119 residues in 61.7 ms (Link to these results)

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