A0A075B5J9_MOUSE Loading...

Immunoglobulin kappa variable 17-127

AlphaFold DB , UniProt , Accession A0A075B5J9, Species MOUSE (Mus musculus, Mouse), Gene Igkv17-127, Length 113 aa.

						>A0A075B5J9_MOUSE|A0A075B5J9|Igkv17-127
MTMLSLAPLLSLLLLCVSETTVTQSPASLSVATGEKVTIRCITSTDIDDDMNWYQQKPGEPPKLLISEGNTLRPGVPSRFSSSGYGTDFVFTIENTLSEDVADYYCLQSDNMP
					

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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	42.4	Very low	45.9	Very low	235 Å²	235	137.8 Å²	137.8	100%	1.158	79%	0.794	S	S	*	*				0	108.6	0	-73.2	132.5	85	0	0	107.6	M3	M1-M3 PolarHBondContact O-N 3.15Å
2	T	43.1	Very low	45.9	Very low	139 Å²	139	138.1 Å²	138.1	85%	0.853	79%	0.79	S	S	*	*			trans	-80.9	108	177	36.6	0	0	0	0	108.9
3	M	43	Very low	46.1	Very low	141 Å²	141	138.9 Å²	138.9	70%	0.695	79%	0.789	S	S	*	*			trans	-84.8	109.3	170.7	-74.4	-72.8	-58.8	0	0	108.4	M1 S5 S30	M1-M3 PolarHBondContact O-N 3.15Å; M3-S5 PolarHBondContact O-N 3.08Å; M3-S30 VanDerWaalsContact CE-OG 3.25Å; M3-S30 WeakPolarHBondContact CE-OG 3.32Å
4	L	46.9	Very low	46.1	Very low	143 Å²	143	138.9 Å²	138.9	75%	0.749	78%	0.784	S	S	*	*			trans	-84.2	106	168.3	-80.6	149.4	0	0	0	107.5
5	S	46	Very low	46	Very low	111 Å²	111	139.3 Å²	139.3	78%	0.776	78%	0.783	S	S	*	*			trans	-90.6	118.8	175.1	178.5	0	0	0	0	109	M3	M3-S5 PolarHBondContact O-N 3.08Å
6	L	47.4	Very low	46.4	Very low	105 Å²	105	135.8 Å²	135.8	55%	0.55	77%	0.768	S	S	.	*			trans	-98.6	115.2	168.7	-71.1	161.9	0	0	0	107.3	V101	L6-V101 HydrophobicContact CD1-CG1 3.9Å
7	A	49.1	Very low	47	Very low	85 Å²	85	134.5 Å²	134.5	70%	0.702	76%	0.764	S	S	*	*			trans	-71.4	136.4	172.9	0	0	0	0	0	109.2	L9	A7-L9 PolarHBondContact O-N 2.82Å; A7-L9 VanDerWaalsContact O-N 3.14Å
8	P	48	Very low	47.8	Very low	122 Å²	122	128.4 Å²	128.4	79%	0.792	73%	0.732	S	S	*	*			trans	-73.7	111.9	177.9	29.4	-30	0	0	0	108.7	L10	P8-L10 PolarHBondContact O-N 3.38Å
9	L	48.1	Very low	49.3	Very low	165 Å²	165	131.8 Å²	131.8	86%	0.864	74%	0.74	S	S	*	*			trans	-71.7	106.9	157.7	-85.7	151.7	0	0	0	106.4	A7 S11	A7-L9 PolarHBondContact O-N 2.82Å; A7-L9 VanDerWaalsContact O-N 3.14Å; L9-S11 PolarHBondContact O-N 2.79Å
10	L	42.2	Very low	51.2	Low	165 Å²	165	125.6 Å²	125.6	86%	0.864	71%	0.706	S	S	*	*			trans	-67.7	76	173.2	-165.2	79.9	0	0	0	109.2	P8 L12	P8-L10 PolarHBondContact O-N 3.38Å; L10-L12 PolarHBondContact O-N 2.96Å
11	S	48.7	Very low	53.1	Low	105 Å²	105	123.7 Å²	123.7	73%	0.734	70%	0.697	S	S	*	*			trans	-89.7	87.6	168.9	-95.3	0	0	0	0	108.8	L9 L13	L9-S11 PolarHBondContact O-N 2.79Å; S11-L13 VanDerWaalsContact C-N 3.35Å; S11-L13 PolarHBondContact O-N 2.87Å
12	L	45.5	Very low	55.6	Low	141 Å²	141	115.1 Å²	115.1	74%	0.738	66%	0.658	S	S	*	*			trans	-73.6	86.6	171	-168.3	78.3	0	0	0	108.9	L10 L14	L10-L12 PolarHBondContact O-N 2.96Å; L12-L14 HydrophobicContact CD1-CD1 3.88Å; L12-L14 HydrophobicContact CD2-CD1 3.62Å; L12-L14 HydrophobicContact CG-CD1 3.5Å; L12-L14 PolarHBondContact O-N 3.42Å
13	L	48.6	Very low	58.1	Low	149 Å²	149	112.3 Å²	112.3	78%	0.78	64%	0.641	S	S	*	*			trans	-87.9	90.5	168.5	-135.1	89.7	0	0	0	108.8	S11 L15	S11-L13 VanDerWaalsContact C-N 3.35Å; S11-L13 PolarHBondContact O-N 2.87Å; L13-L15 HydrophobicContact CD2-CD1 4Å; L13-L15 PolarHBondContact O-N 3.44Å
14	L	47.1	Very low	60.7	Low	138 Å²	138	109 Å²	109	72%	0.723	62%	0.623	S	S	*	*			trans	-75.2	99.1	167.5	-105.5	85.4	0	0	0	109.3	L12	L12-L14 HydrophobicContact CD1-CD1 3.88Å; L12-L14 HydrophobicContact CD2-CD1 3.62Å; L12-L14 HydrophobicContact CG-CD1 3.5Å; L12-L14 PolarHBondContact O-N 3.42Å
15	L	43.7	Very low	63.1	Low	146 Å²	146	104.8 Å²	104.8	76%	0.764	61%	0.606	S	S	*	*			trans	-129.9	76.6	159.4	-75.2	163.7	0	0	0	107.4	L13	L13-L15 HydrophobicContact CD2-CD1 4Å; L13-L15 PolarHBondContact O-N 3.44Å
16	C	52.2	Low	65.5	Low	82 Å²	82	102.5 Å²	102.5	55%	0.554	59%	0.589	S	S	*	*			trans	-105.6	111	173.8	-153.3	0	0	0	0	108.2	S18 T20	C16-S18 PolarHBondContact SG-O 2.97Å; C16-T20 PolarHBondContact SG-O 2.92Å
17	V	56.5	Low	67.8	Low	115 Å²	115	102.7 Å²	102.7	70%	0.697	61%	0.605	S	S	*	*			trans	-102.9	5.7	175	-160.7	0	0	0	0	110.8	P113	V17-P113 HydrophobicContact CB-CG 3.71Å; V17-P113 HydrophobicContact CG1-CG 3.38Å
18	S	61.4	Low	70	Confident	25 Å²	25	103.4 Å²	103.4	18%	0.175	61%	0.605	C	S	.	*	S	Bend	trans	-120.2	156.3	171	64.1	0	0	0	0	110.7	C16 T20 Q108	C16-S18 PolarHBondContact SG-O 2.97Å; S18-T20 PolarHBondContact O-N 2.74Å; S18-Q108 PolarHBondContact OG-NE2 3.01Å
19	E	77.7	Confident	72.1	Confident	192 Å²	192	102.5 Å²	102.5	90%	0.897	59%	0.593	S	S	*	*	S	Bend	trans	-74.8	8.6	173.8	-67.7	-169.6	165.5	0	0	112.9
20	T	85.8	Confident	74.4	Confident	8 Å²	8	98 Å²	98	5%	0.049	58%	0.576	C	S	.	*			trans	-89.3	111.7	-179.5	-50.1	0	0	0	0	110.5	C16 S18 T43 T45 I47 Q108	C16-T20 PolarHBondContact SG-O 2.92Å; S18-T20 PolarHBondContact O-N 2.74Å; T20-T43 HydrophobicContact CG2-CG2 4.28Å; T20-T45 WeakPolarHBondContact CG2-OG1 3.25Å; T20-T45 PolarHBondContact OG1-OG1 3.02Å; T20-I47 HydrophobicContact CG2-CG2 3.89Å; T20-Q108 HydrophobicContact CG2-CG 4Å
21	T	92.1	Very high	76.8	Confident	86 Å²	86	92.5 Å²	92.5	53%	0.528	55%	0.549	S	S	.	.			trans	-83.6	145.8	170.3	64.9	0	0	0	0	110.5	T43 S44	T21-T43 CarbonylContact O-C 3.53Å; T21-T43 VanDerWaalsContact O-CA 3.22Å; T21-T43 WeakPolarHBondContact O-CA 3.38Å; T21-S44 PolarHBondContact N-OG 2.73Å; T21-S44 PolarHBondContact O-N 2.68Å; T21-S44 WeakPolarHBondContact OG1-CB 3.3Å; T21-S44 PolarHBondContact OG1-OG 2.85Å
22	V	93.9	Very high	79	Confident	55 Å²	55	90.1 Å²	90.1	33%	0.333	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	131.5	-179	-175.5	0	0	0	0	109.1	C41 T43 C106 Q108	V22-C41 WeakPolarHBondContact CG1-SG 3.3Å; V22-T43 HydrophobicContact CG2-CG2 4.2Å; V22-C106 WeakPolarHBondContact CG1-SG 3.33Å; V22-Q108 HydrophobicContact CG2-CB 4.26Å; V22-Q108 HydrophobicContact CG2-CG 3.77Å
23	T	96.5	Very high	81.5	Confident	80 Å²	80	88.4 Å²	88.4	49%	0.491	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.1	179.1	58.1	0	0	0	0	111.2	C41 I42	T23-C41 CarbonylContact O-C 3.47Å; T23-C41 WeakPolarHBondContact O-CA 3.38Å; T23-I42 PolarHBondContact N-O 2.84Å; T23-I42 PolarHBondContact O-N 2.88Å; T23-I42 PolarHBondContact OG1-O 3.22Å
24	Q	97.4	Very high	83.8	Confident	71 Å²	71	83 Å²	83	33%	0.332	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	145.8	179	-80.8	-178.5	-108.7	0	0	112.7	R40 C41 Y104 C106	Q24-R40 CarbonylContact C-O 3.58Å; Q24-R40 VanDerWaalsContact CA-O 3.29Å; Q24-R40 WeakPolarHBondContact CA-O 3.38Å; Q24-C41 HydrophobicContact CG-CB 4.29Å; Q24-Y104 PolarHBondContact NE2-O 2.87Å; Q24-C106 HydrophobicContact CG-CB 4.36Å; Q24-C106 WeakPolarHBondContact CG-SG 3.49Å; Q24-C106 PolarHBondContact OE1-SG 3.02Å
25	S	97	Very high	86.2	Confident	55 Å²	55	81.1 Å²	81.1	39%	0.385	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	148.3	173	61.7	0	0	0	0	112.2	I39 R40	S25-I39 CarbonylContact O-C 3.6Å; S25-I39 WeakPolarHBondContact O-CA 3.38Å; S25-R40 PolarHBondContact N-O 2.83Å; S25-R40 PolarHBondContact O-N 2.99Å
26	P	97.6	Very high	88.8	Confident	63 Å²	63	79.5 Å²	79.5	41%	0.409	49%	0.485	S	S	.	.			cis	-70.3	164.5	-11.4	33.4	-36.1	0	0	0	111.7	S28 L29	P26-S28 VanDerWaalsContact C-N 3.3Å; P26-S28 PolarHBondContact O-N 2.68Å; P26-L29 HydrophobicContact CG-CB 4.21Å; P26-L29 HydrophobicContact CG-CD1 4.44Å
27	A	94.3	Very high	90.9	Very high	109 Å²	109	76.2 Å²	76.2	90%	0.901	46%	0.463	S	S	*	.	S	Bend	trans	-69.7	-28.3	177.2	0	0	0	0	0	113
28	S	94.8	Very high	92.9	Very high	99 Å²	99	73.6 Å²	73.6	69%	0.692	45%	0.447	S	S	*	.			trans	-155.1	155.9	172.1	63.2	0	0	0	0	109.6	P26	P26-S28 VanDerWaalsContact C-N 3.3Å; P26-S28 PolarHBondContact O-N 2.68Å
29	L	94.1	Very high	94.6	Very high	103 Å²	103	73.3 Å²	73.3	54%	0.539	44%	0.443	S	S	.	.			trans	-144.9	144.5	178.2	-169.7	70.5	0	0	0	109.3	P26 V31 V37	P26-L29 HydrophobicContact CG-CB 4.21Å; P26-L29 HydrophobicContact CG-CD1 4.44Å; L29-V31 HydrophobicContact CD2-CG1 3.51Å; L29-V31 HydrophobicContact CG-CG1 3.73Å; L29-V37 HydrophobicContact CD2-CB 4.35Å; L29-V37 HydrophobicContact CD2-CG1 3.94Å; L29-V37 HydrophobicContact CD2-CG2 4Å
30	S	94.7	Very high	95.6	Very high	72 Å²	72	69.1 Å²	69.1	50%	0.503	42%	0.419	S	S	.	.			trans	-123.7	121.7	169.4	-168.4	0	0	0	0	108	M3	M3-S30 VanDerWaalsContact CE-OG 3.25Å; M3-S30 WeakPolarHBondContact CE-OG 3.32Å
31	V	93.7	Very high	96.1	Very high	49 Å²	49	68.8 Å²	68.8	30%	0.297	42%	0.417	S	S	.	.			trans	-129.5	156.7	-177.3	-63.7	0	0	0	0	110.3	L29 E35 V37 T96	L29-V31 HydrophobicContact CD2-CG1 3.51Å; L29-V31 HydrophobicContact CG-CG1 3.73Å; V31-E35 WeakPolarHBondContact CA-OE2 3.44Å; V31-E35 HydrophobicContact CB-CB 4.16Å; V31-V37 HydrophobicContact CB-CG2 4.3Å; V31-V37 HydrophobicContact CG1-CG2 3.87Å; V31-V37 HydrophobicContact CG2-CG2 3.56Å; V31-T96 HydrophobicContact CG2-CG2 4.03Å
32	A	95.5	Very high	96.4	Very high	55 Å²	55	67.3 Å²	67.3	46%	0.455	41%	0.405	S	S	.	.			trans	-78.2	154.6	168.9	0	0	0	0	0	111.4	G34 E35	A32-G34 PolarHBondContact O-N 2.98Å; A32-E35 HydrophobicContact CB-CG 4.06Å; A32-E35 PolarHBondContact N-OE2 3.44Å; A32-E35 WeakPolarHBondContact O-CB 3.27Å; A32-E35 PolarHBondContact O-N 3.17Å; A32-E35 VanDerWaalsContact O-N 3.08Å
33	T	96.4	Very high	96.4	Very high	105 Å²	105	65 Å²	65	64%	0.644	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	133.6	170.3	-55.8	0	0	0	0	110.2	E35 T96 L97	T33-E35 VanDerWaalsContact C-N 3.34Å; T33-T96 CarbonylContact C-O 3.58Å; T33-T96 VanDerWaalsContact CA-O 3.32Å; T33-T96 WeakPolarHBondContact CA-O 3.47Å; T33-T96 WeakPolarHBondContact CG2-O 3.35Å; T33-L97 HydrophobicContact CG2-CD2 4.33Å
34	G	97.2	Very high	96.4	Very high	35 Å²	35	64.2 Å²	64.2	36%	0.361	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.2	-10.9	-176.7	0	0	0	0	0	114.2	A32 N95 T96	A32-G34 PolarHBondContact O-N 2.98Å; G34-N95 PolarHBondContact O-OD1 2.97Å; G34-T96 PolarHBondContact N-O 3Å
35	E	97.7	Very high	96.2	Very high	99 Å²	99	63.6 Å²	63.6	46%	0.463	39%	0.391	S	S	.	.			trans	-78.2	158.5	174.8	-65.9	-170.9	138.1	0	0	111.9	V31 A32 T33 T96	V31-E35 WeakPolarHBondContact CA-OE2 3.44Å; V31-E35 HydrophobicContact CB-CB 4.16Å; A32-E35 HydrophobicContact CB-CG 4.06Å; A32-E35 PolarHBondContact N-OE2 3.44Å; A32-E35 WeakPolarHBondContact O-CB 3.27Å; A32-E35 PolarHBondContact O-N 3.17Å; A32-E35 VanDerWaalsContact O-N 3.08Å; T33-E35 VanDerWaalsContact C-N 3.34Å; E35-T96 VanDerWaalsContact O-CB 3.3Å; E35-T96 WeakPolarHBondContact O-CB 3.34Å; E35-T96 PolarHBondContact O-N 3.41Å; E35-T96 PolarHBondContact O-OG1 3.1Å
36	K	97.6	Very high	96.2	Very high	111 Å²	111	65.8 Å²	65.8	48%	0.483	40%	0.398	S	S	.	.			trans	-84	132.8	174.2	175.8	179	175.3	133	0	110.2	T38 T92 I93 E94	K36-T38 WeakPolarHBondContact CE-OG1 3.24Å; K36-T92 HydrophobicContact CD-CG2 4.27Å; K36-T92 HydrophobicContact CG-CG2 4.04Å; K36-I93 WeakPolarHBondContact CA-O 3.45Å; K36-E94 WeakPolarHBondContact CD-OE1 3.36Å; K36-E94 WeakPolarHBondContact CE-OE1 3.39Å; K36-E94 IonicContact NZ-OE1 3.32Å; K36-E94 PolarHBondContact NZ-OE1 3.18Å
37	V	97.3	Very high	96.1	Very high	14 Å²	14	62.8 Å²	62.8	9%	0.085	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	140.1	169.9	171.4	0	0	0	0	109.3	L29 V31 I39 T92 I93 T96	L29-V37 HydrophobicContact CD2-CB 4.35Å; L29-V37 HydrophobicContact CD2-CG1 3.94Å; L29-V37 HydrophobicContact CD2-CG2 4Å; V31-V37 HydrophobicContact CB-CG2 4.3Å; V31-V37 HydrophobicContact CG1-CG2 3.87Å; V31-V37 HydrophobicContact CG2-CG2 3.56Å; V37-I39 HydrophobicContact CG1-CG1 4.14Å; V37-T92 VanDerWaalsContact O-CA 3.31Å; V37-T92 WeakPolarHBondContact O-CA 3.23Å; V37-I93 HydrophobicContact CB-CB 4.28Å; V37-I93 PolarHBondContact N-O 2.75Å; V37-I93 PolarHBondContact O-N 2.88Å; V37-T96 HydrophobicContact CG2-CG2 4.35Å; V37-T96 WeakPolarHBondContact CG2-OG1 3.3Å
38	T	97.7	Very high	96.2	Very high	60 Å²	60	61.1 Å²	61.1	37%	0.368	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	127.2	174.3	-59.5	0	0	0	0	109.8	K36 V90 F91	K36-T38 WeakPolarHBondContact CE-OG1 3.24Å; T38-V90 HydrophobicContact CG2-CG1 3.28Å; T38-F91 CarbonylContact C-O 3.6Å; T38-F91 WeakPolarHBondContact CA-O 3.42Å
39	I	98	Very high	96.3	Very high	18 Å²	18	59.5 Å²	59.5	9%	0.092	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.5	176.3	-54.4	178.3	0	0	0	107.3	S25 V37 W53 V90 F91 Y104	S25-I39 CarbonylContact O-C 3.6Å; S25-I39 WeakPolarHBondContact O-CA 3.38Å; V37-I39 HydrophobicContact CG1-CG1 4.14Å; I39-W53 HydrophobicContact CB-CH2 4.33Å; I39-W53 HydrophobicContact CB-CZ3 4.15Å; I39-W53 HydrophobicContact CG2-CH2 4.09Å; I39-W53 HydrophobicContact CG2-CZ3 3.82Å; I39-V90 CarbonylContact O-C 3.54Å; I39-V90 WeakPolarHBondContact O-CA 3.48Å; I39-F91 HydrophobicContact CB-CB 4.5Å; I39-F91 HydrophobicContact CB-CD1 4.44Å; I39-F91 HydrophobicContact CD1-CD1 4.15Å; I39-F91 HydrophobicContact CG1-CD1 4.44Å; I39-F91 PolarHBondContact N-O 2.56Å; I39-F91 PolarHBondContact O-N 3.48Å; I39-Y104 HydrophobicContact CD1-CD2 4.16Å; I39-Y104 HydrophobicContact CD1-CG 3.95Å
40	R	98.1	Very high	96.4	Very high	105 Å²	105	56.9 Å²	56.9	40%	0.396	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	138.7	177.7	-169.6	176.2	-179.2	-154.2	0.4	109.9	Q24 S25 I42 D88 F89 V90	Q24-R40 CarbonylContact C-O 3.58Å; Q24-R40 VanDerWaalsContact CA-O 3.29Å; Q24-R40 WeakPolarHBondContact CA-O 3.38Å; S25-R40 PolarHBondContact N-O 2.83Å; S25-R40 PolarHBondContact O-N 2.99Å; R40-I42 HydrophobicContact CG-CG1 4.13Å; R40-D88 WeakPolarHBondContact CG-OD1 3.35Å; R40-D88 IonicContact CZ-OD1 2.97Å; R40-D88 IonicContact CZ-OD2 3.6Å; R40-D88 VanDerWaalsContact CZ-OD2 3.32Å; R40-D88 IonicContact NE-OD1 2.66Å; R40-D88 PolarHBondContact NE-OD1 3.45Å; R40-D88 IonicContact NE-OD2 3.85Å; R40-D88 PolarHBondContact NE-OD2 3.13Å; R40-D88 IonicContact NH2-OD1 3.88Å; R40-D88 IonicContact NH2-OD2 2.76Å; R40-D88 PolarHBondContact NH2-OD2 2.84Å; R40-F89 CarbonylContact C-O 3.57Å; R40-F89 WeakPolarHBondContact CA-O 3.27Å; R40-V90 HydrophobicContact CG-CG2 4.19Å
41	C	97.2	Very high	96.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	121.3	176	-177	0	0	0	0	108.7	V22 T23 Q24 M51 W53 F89 C106	V22-C41 WeakPolarHBondContact CG1-SG 3.3Å; T23-C41 CarbonylContact O-C 3.47Å; T23-C41 WeakPolarHBondContact O-CA 3.38Å; Q24-C41 HydrophobicContact CG-CB 4.29Å; C41-M51 HydrophobicContact CB-CE 4.28Å; C41-M51 WeakPolarHBondContact SG-CE 3.48Å; C41-W53 HydrophobicContact CB-CH2 3.62Å; C41-W53 HydrophobicContact CB-CZ2 3.79Å; C41-F89 HydrophobicContact CB-CB 4.4Å; C41-F89 PolarHBondContact N-O 3.14Å; C41-F89 PolarHBondContact O-N 2.91Å; C41-C106 HydrophobicContact CB-CB 3.54Å; C41-C106 WeakPolarHBondContact CB-SG 3.22Å; C41-C106 WeakPolarHBondContact SG-CB 3.41Å; C41-C106 CovalentContact SG-SG 2.02Å; C41-C106 PolarHBondContact SG-SG 3Å
42	I	97.5	Very high	96.6	Very high	55 Å²	55	51.8 Å²	51.8	28%	0.282	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	130	-178.6	-56.9	173	0	0	0	108.8	T23 R40 T87	T23-I42 PolarHBondContact N-O 2.84Å; T23-I42 PolarHBondContact O-N 2.88Å; T23-I42 PolarHBondContact OG1-O 3.22Å; R40-I42 HydrophobicContact CG-CG1 4.13Å; I42-T87 CarbonylContact C-O 2.96Å; I42-T87 VanDerWaalsContact CA-O 3.25Å; I42-T87 WeakPolarHBondContact CA-O 2.93Å
43	T	95.3	Very high	96.8	Very high	7 Å²	7	49.2 Å²	49.2	4%	0.043	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	153.8	174.3	59.9	0	0	0	0	111.4	T20 T21 V22 T45 I47 M51 G86 T87 Q108	T20-T43 HydrophobicContact CG2-CG2 4.28Å; T21-T43 CarbonylContact O-C 3.53Å; T21-T43 VanDerWaalsContact O-CA 3.22Å; T21-T43 WeakPolarHBondContact O-CA 3.38Å; V22-T43 HydrophobicContact CG2-CG2 4.2Å; T43-T45 VanDerWaalsContact C-N 3.31Å; T43-T45 WeakPolarHBondContact CB-O 3.32Å; T43-T45 PolarHBondContact OG1-O 2.88Å; T43-I47 HydrophobicContact CG2-CD1 4.1Å; T43-I47 HydrophobicContact CG2-CG1 4.32Å; T43-I47 HydrophobicContact CG2-CG2 4.38Å; T43-M51 HydrophobicContact CG2-CE 3.73Å; T43-G86 PolarHBondContact OG1-O 2.93Å; T43-T87 PolarHBondContact N-O 2.96Å; T43-T87 WeakPolarHBondContact OG1-CA 3.39Å; T43-Q108 HydrophobicContact CG2-CB 4.35Å
44	S	95.3	Very high	96.8	Very high	64 Å²	64	47.1 Å²	47.1	45%	0.448	25%	0.249	S	C	.	.	S	Bend	trans	-77	-16.5	176.8	51.4	0	0	0	0	114.5	T21	T21-S44 PolarHBondContact N-OG 2.73Å; T21-S44 PolarHBondContact O-N 2.68Å; T21-S44 WeakPolarHBondContact OG1-CB 3.3Å; T21-S44 PolarHBondContact OG1-OG 2.85Å
45	T	94.1	Very high	96.9	Very high	58 Å²	58	46.4 Å²	46.4	36%	0.356	24%	0.236	S	C	.	.	S	Bend	trans	-132.4	156.7	178.8	57.3	0	0	0	0	109.7	T20 T43 I47 T87	T20-T45 WeakPolarHBondContact CG2-OG1 3.25Å; T20-T45 PolarHBondContact OG1-OG1 3.02Å; T43-T45 VanDerWaalsContact C-N 3.31Å; T43-T45 WeakPolarHBondContact CB-O 3.32Å; T43-T45 PolarHBondContact OG1-O 2.88Å; T45-I47 PolarHBondContact O-N 3.1Å; T45-T87 WeakPolarHBondContact O-CG2 3.34Å
46	D	95.8	Very high	96.9	Very high	100 Å²	100	44.5 Å²	44.5	54%	0.535	23%	0.228	S	C	.	.			trans	-65	125.5	171.8	-165.5	-45.6	0	0	0	109.1	D48 G86	D46-D48 PolarHBondContact OD1-N 3.45Å; D46-G86 WeakPolarHBondContact OD1-CA 3.32Å
47	I	95.4	Very high	96.8	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.217	C	C	.	.			trans	-117.3	22.7	179.8	63.8	150.8	0	0	0	111.8	T20 T43 T45 D49 D50 M51 G86 F89 Q108 D110	T20-I47 HydrophobicContact CG2-CG2 3.89Å; T43-I47 HydrophobicContact CG2-CD1 4.1Å; T43-I47 HydrophobicContact CG2-CG1 4.32Å; T43-I47 HydrophobicContact CG2-CG2 4.38Å; T45-I47 PolarHBondContact O-N 3.1Å; I47-D49 PolarHBondContact O-N 3.46Å; I47-D49 VanDerWaalsContact O-N 3.14Å; I47-D50 HydrophobicContact CB-CB 4.49Å; I47-D50 HydrophobicContact CD1-CB 4.46Å; I47-D50 VanDerWaalsContact O-CB 3.29Å; I47-D50 WeakPolarHBondContact O-CB 3.46Å; I47-D50 PolarHBondContact O-N 2.86Å; I47-M51 HydrophobicContact CD1-CB 4.11Å; I47-M51 HydrophobicContact CD1-CE 3.67Å; I47-G86 WeakPolarHBondContact CG1-O 3.37Å; I47-G86 PolarHBondContact N-O 2.65Å; I47-F89 HydrophobicContact CD1-CE2 3.66Å; I47-F89 HydrophobicContact CD1-CZ 3.94Å; I47-F89 HydrophobicContact CG1-CE2 3.67Å; I47-F89 HydrophobicContact CG1-CZ 3.93Å; I47-Q108 HydrophobicContact CD1-CB 3.66Å; I47-Q108 HydrophobicContact CG2-CB 4.27Å; I47-D110 HydrophobicContact CB-CB 3.6Å; I47-D110 HydrophobicContact CG2-CB 3.79Å
48	D	96.4	Very high	96.7	Very high	73 Å²	73	46.5 Å²	46.5	39%	0.39	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	-118.9	-176.7	-160.9	-27.8	0	0	0	111.1	D46 Y85 G86 F89	D46-D48 PolarHBondContact OD1-N 3.45Å; D48-Y85 WeakPolarHBondContact O-CD2 3.41Å; D48-Y85 WeakPolarHBondContact OD1-CE2 3.15Å; D48-Y85 PolarHBondContact OD1-OH 2.02Å; D48-Y85 PolarHBondContact OD2-OH 3.43Å; D48-G86 PolarHBondContact O-N 2.98Å; D48-F89 WeakPolarHBondContact O-CZ 3.4Å
49	D	96.8	Very high	96.6	Very high	66 Å²	66	48 Å²	48	35%	0.353	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	15.4	172	66.1	-4.8	0	0	0	113.1	I47 M51 E68 G69 Y85	I47-D49 PolarHBondContact O-N 3.46Å; I47-D49 VanDerWaalsContact O-N 3.14Å; D49-M51 PolarHBondContact O-N 3.46Å; D49-E68 CarbonylContact O-C 3.57Å; D49-E68 WeakPolarHBondContact O-CA 3.44Å; D49-G69 WeakPolarHBondContact O-CA 3.16Å; D49-G69 PolarHBondContact O-N 2.81Å; D49-Y85 HydrophobicContact CB-CD2 4.41Å; D49-Y85 HydrophobicContact CB-CE2 4.35Å
50	D	96.1	Very high	96.5	Very high	47 Å²	47	50.7 Å²	50.7	25%	0.251	29%	0.285	S	S	.	.			trans	-72.7	33.4	-177.3	-81.2	-50.6	0	0	0	114.2	I47 Q108 S109 D110	I47-D50 HydrophobicContact CB-CB 4.49Å; I47-D50 HydrophobicContact CD1-CB 4.46Å; I47-D50 VanDerWaalsContact O-CB 3.29Å; I47-D50 WeakPolarHBondContact O-CB 3.46Å; I47-D50 PolarHBondContact O-N 2.86Å; D50-Q108 CarbonylContact O-C 3.53Å; D50-Q108 VanDerWaalsContact O-CA 3.28Å; D50-Q108 WeakPolarHBondContact O-CA 3.44Å; D50-S109 WeakPolarHBondContact CB-OG 3.16Å; D50-S109 PolarHBondContact O-N 3.5Å; D50-S109 PolarHBondContact O-OG 3.06Å; D50-S109 PolarHBondContact OD1-OG 3.23Å; D50-D110 HydrophobicContact CB-CB 3.82Å; D50-D110 VanDerWaalsContact CB-N 3.34Å; D50-D110 WeakPolarHBondContact OD2-CA 3.27Å
51	M	96.8	Very high	96.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	132	174.1	-171.5	56	70.8	0	0	112.1	C41 T43 I47 D49 S67 E68 G69 F89 C106	C41-M51 HydrophobicContact CB-CE 4.28Å; C41-M51 WeakPolarHBondContact SG-CE 3.48Å; T43-M51 HydrophobicContact CG2-CE 3.73Å; I47-M51 HydrophobicContact CD1-CB 4.11Å; I47-M51 HydrophobicContact CD1-CE 3.67Å; D49-M51 PolarHBondContact O-N 3.46Å; M51-S67 CarbonylContact O-C 3.56Å; M51-E68 PolarHBondContact O-N 2.76Å; M51-G69 PolarHBondContact O-N 3.49Å; M51-F89 HydrophobicContact CB-CB 4.47Å; M51-F89 HydrophobicContact CB-CD1 3.46Å; M51-F89 VanDerWaalsContact CB-CD1 3.46Å; M51-F89 HydrophobicContact CB-CD2 3.96Å; M51-F89 HydrophobicContact CB-CE1 3.47Å; M51-F89 VanDerWaalsContact CB-CE1 3.47Å; M51-F89 HydrophobicContact CB-CE2 3.98Å; M51-F89 HydrophobicContact CB-CG 3.69Å; M51-F89 HydrophobicContact CB-CZ 3.73Å; M51-F89 HydrophobicContact CE-CB 4.4Å; M51-F89 HydrophobicContact CE-CD2 3.48Å; M51-F89 VanDerWaalsContact CE-CD2 3.48Å; M51-F89 HydrophobicContact CE-CE2 3.91Å; M51-F89 HydrophobicContact CE-CG 4.04Å; M51-F89 HydrophobicContact CG-CB 3.91Å; M51-F89 HydrophobicContact CG-CD1 3.85Å; M51-F89 HydrophobicContact CG-CD2 4.04Å; M51-F89 HydrophobicContact CG-CE1 4.35Å; M51-F89 HydrophobicContact CG-CG 3.66Å; M51-C106 HydrophobicContact SD-CB 3.61Å
52	N	97.3	Very high	96.4	Very high	15 Å²	15	53.4 Å²	53.4	8%	0.08	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	143.5	177.4	-55	-80.4	0	0	0	110.7	Y54 L64 I66 S67 C106 L107 S109	N52-Y54 HydrophobicContact CB-CD2 4.45Å; N52-Y54 HydrophobicContact CB-CE2 3.69Å; N52-L64 HydrophobicContact CB-CD1 3.97Å; N52-I66 CarbonylContact C-O 3.52Å; N52-I66 WeakPolarHBondContact CA-O 3.48Å; N52-S67 WeakPolarHBondContact OD1-CA 3.41Å; N52-S67 WeakPolarHBondContact OD1-CB 3.37Å; N52-C106 CarbonylContact O-C 3.57Å; N52-C106 VanDerWaalsContact O-CA 3.23Å; N52-C106 WeakPolarHBondContact O-CA 3.44Å; N52-L107 WeakPolarHBondContact CB-O 3.41Å; N52-L107 PolarHBondContact N-O 2.96Å; N52-L107 PolarHBondContact ND2-O 3.45Å; N52-L107 VanDerWaalsContact ND2-O 3.1Å; N52-L107 PolarHBondContact O-N 3.43Å; N52-S109 WeakPolarHBondContact ND2-CB 3.48Å; N52-S109 PolarHBondContact ND2-OG 3.38Å
53	W	98	Very high	96.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130.5	177.7	-67.2	92.2	0	0	0	111.2	I39 C41 L65 I66 S82 F89 F91 Y105 C106	I39-W53 HydrophobicContact CB-CH2 4.33Å; I39-W53 HydrophobicContact CB-CZ3 4.15Å; I39-W53 HydrophobicContact CG2-CH2 4.09Å; I39-W53 HydrophobicContact CG2-CZ3 3.82Å; C41-W53 HydrophobicContact CB-CH2 3.62Å; C41-W53 HydrophobicContact CB-CZ2 3.79Å; W53-L65 WeakPolarHBondContact O-CB 3.38Å; W53-L65 PolarHBondContact O-N 2.77Å; W53-I66 HydrophobicContact CB-CB 4.19Å; W53-I66 PolarHBondContact N-O 3.23Å; W53-I66 PolarHBondContact O-N 2.65Å; W53-S82 PolarHBondContact NE1-OG 2.81Å; W53-F89 HydrophobicContact CZ2-CB 4.24Å; W53-F91 HydrophobicContact CB-CD2 4.33Å; W53-F91 HydrophobicContact CD2-CB 3.51Å; W53-F91 HydrophobicContact CD2-CD2 4.09Å; W53-F91 AromaticContact CD2-CG 3.88Å; W53-F91 HydrophobicContact CD2-CG 3.88Å; W53-F91 VanDerWaalsContact CE2-CB 3.45Å; W53-F91 HydrophobicContact CE3-CB 3.55Å; W53-F91 HydrophobicContact CE3-CD1 4.19Å; W53-F91 HydrophobicContact CE3-CD2 4.41Å; W53-F91 AromaticContact CE3-CG 3.84Å; W53-F91 HydrophobicContact CE3-CG 3.84Å; W53-F91 HydrophobicContact CG-CB 4.27Å; W53-F91 HydrophobicContact CG-CD2 4.02Å; W53-F91 HydrophobicContact CG-CG 4.31Å; W53-F91 HydrophobicContact CH2-CB 3.45Å; W53-F91 VanDerWaalsContact CH2-CB 3.45Å; W53-F91 HydrophobicContact CZ2-CB 3.43Å; W53-F91 VanDerWaalsContact CZ2-CB 3.43Å; W53-F91 HydrophobicContact CZ3-CB 3.52Å; W53-F91 HydrophobicContact CZ3-CD1 4.4Å; W53-F91 HydrophobicContact CZ3-CG 4.17Å; W53-Y105 CarbonylContact C-O 3.56Å; W53-Y105 WeakPolarHBondContact CA-O 3.33Å; W53-C106 HydrophobicContact CD2-CB 4.19Å; W53-C106 HydrophobicContact CE3-CB 3.93Å; W53-C106 HydrophobicContact CH2-CB 3.95Å; W53-C106 HydrophobicContact CZ2-CB 4.17Å; W53-C106 HydrophobicContact CZ3-CB 3.82Å
54	Y	98	Very high	96.5	Very high	62 Å²	62	58.2 Å²	58.2	24%	0.243	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	146.3	-179.4	-65.3	-100.1	0	0	0	111.1	N52 P62 K63 L64 Y104 Y105 L107	N52-Y54 HydrophobicContact CB-CD2 4.45Å; N52-Y54 HydrophobicContact CB-CE2 3.69Å; Y54-P62 HydrophobicContact CD1-CB 4.16Å; Y54-K63 CarbonylContact C-O 3.53Å; Y54-K63 VanDerWaalsContact CA-O 3.23Å; Y54-K63 WeakPolarHBondContact CA-O 3.31Å; Y54-L64 HydrophobicContact CD1-CB 4.15Å; Y54-L64 HydrophobicContact CD1-CD1 4.35Å; Y54-L64 HydrophobicContact CD2-CD1 4.35Å; Y54-L64 HydrophobicContact CE1-CB 3.84Å; Y54-L64 HydrophobicContact CE1-CD1 3.88Å; Y54-L64 HydrophobicContact CE1-CG 4.45Å; Y54-L64 HydrophobicContact CE2-CD1 3.87Å; Y54-Y104 WeakPolarHBondContact O-CA 3.28Å; Y54-Y105 PolarHBondContact N-O 2.83Å; Y54-Y105 PolarHBondContact O-N 3.42Å; Y54-L107 HydrophobicContact CD2-CB 4.34Å; Y54-L107 HydrophobicContact CE2-CB 3.93Å; Y54-L107 HydrophobicContact CE2-CD2 4.1Å
55	Q	97.8	Very high	96.7	Very high	20 Å²	20	55.6 Å²	55.6	9%	0.093	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.9	168.9	-177.8	-173.8	72.2	0	0	109.6	P62 K63 L65 A102 Y104	Q55-P62 CarbonylContact O-C 3.6Å; Q55-P62 WeakPolarHBondContact O-CA 3.16Å; Q55-K63 PolarHBondContact N-O 2.9Å; Q55-K63 PolarHBondContact O-N 2.97Å; Q55-L65 HydrophobicContact CB-CD1 3.61Å; Q55-L65 HydrophobicContact CB-CD2 3.97Å; Q55-L65 HydrophobicContact CB-CG 3.88Å; Q55-A102 HydrophobicContact CG-CB 3.38Å; Q55-Y104 HydrophobicContact CB-CD1 4.28Å; Q55-Y104 HydrophobicContact CB-CE1 4Å; Q55-Y104 HydrophobicContact CG-CD1 4.46Å; Q55-Y104 HydrophobicContact CG-CE1 3.88Å; Q55-Y104 PolarHBondContact NE2-OH 3.2Å
56	Q	97.7	Very high	96.9	Very high	59 Å²	59	52.9 Å²	52.9	28%	0.276	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	114.8	171.5	-169.4	175.2	13.6	0	0	110.5	E60 P62 A102 D103 Y105	Q56-E60 VanDerWaalsContact CG-O 3.3Å; Q56-E60 WeakPolarHBondContact CG-O 3.35Å; Q56-E60 PolarHBondContact NE2-O 2.78Å; Q56-P62 HydrophobicContact CB-CG 4.35Å; Q56-P62 HydrophobicContact CG-CG 4.26Å; Q56-A102 WeakPolarHBondContact O-CA 3.2Å; Q56-A102 WeakPolarHBondContact O-CB 3.29Å; Q56-D103 HydrophobicContact CB-CB 4.49Å; Q56-D103 PolarHBondContact N-O 3.42Å; Q56-D103 PolarHBondContact O-N 3.34Å; Q56-Y105 HydrophobicContact CB-CD2 4.43Å; Q56-Y105 HydrophobicContact CB-CE2 3.81Å
57	K	96.1	Very high	96.9	Very high	61 Å²	61	48.4 Å²	48.4	27%	0.265	28%	0.278	S	S	.	.			trans	-84.7	154.2	171.4	-69.5	-174.4	174.8	-170.3	0	110.4	G59 E60 E99 A102	K57-G59 PolarHBondContact O-N 2.77Å; K57-G59 VanDerWaalsContact O-N 3.13Å; K57-E60 HydrophobicContact CB-CB 4.2Å; K57-E60 HydrophobicContact CB-CG 4.25Å; K57-E60 PolarHBondContact O-N 2.87Å; K57-E99 WeakPolarHBondContact CE-O 3.29Å; K57-E99 PolarHBondContact NZ-O 3.43Å; K57-A102 HydrophobicContact CG-CB 4.15Å
58	P	95.2	Very high	97	Very high	105 Å²	105	52.8 Å²	52.8	68%	0.682	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	120.5	177.6	-27.4	35.3	0	0	0	112.2	E60	P58-E60 VanDerWaalsContact C-N 3.3Å; P58-E60 PolarHBondContact O-N 3.2Å
59	G	96	Very high	97	Very high	91 Å²	91	49.4 Å²	49.4	94%	0.938	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	2.2	179.9	0	0	0	0	0	115.6	K57	K57-G59 PolarHBondContact O-N 2.77Å; K57-G59 VanDerWaalsContact O-N 3.13Å
60	E	96.2	Very high	97	Very high	75 Å²	75	51.4 Å²	51.4	35%	0.35	29%	0.292	S	S	.	.	S	Bend	trans	-106.5	153.7	175.9	-65.8	-170.7	-155.5	0	0	111.4	Q56 K57 P58 K63	Q56-E60 VanDerWaalsContact CG-O 3.3Å; Q56-E60 WeakPolarHBondContact CG-O 3.35Å; Q56-E60 PolarHBondContact NE2-O 2.78Å; K57-E60 HydrophobicContact CB-CB 4.2Å; K57-E60 HydrophobicContact CB-CG 4.25Å; K57-E60 PolarHBondContact O-N 2.87Å; P58-E60 VanDerWaalsContact C-N 3.3Å; P58-E60 PolarHBondContact O-N 3.2Å; E60-K63 VanDerWaalsContact OE2-CE 3.27Å; E60-K63 WeakPolarHBondContact OE2-CE 3.47Å; E60-K63 IonicContact OE2-NZ 2.73Å; E60-K63 PolarHBondContact OE2-NZ 2.8Å
61	P	96.1	Very high	97.1	Very high	94 Å²	94	51.7 Å²	51.7	61%	0.61	30%	0.295	S	S	*	.			trans	-69	155	169.2	30.4	-35.2	0	0	0	111.1	K63	P61-K63 PolarHBondContact O-N 3.01Å
62	P	96.6	Very high	97.2	Very high	69 Å²	69	54.7 Å²	54.7	45%	0.448	31%	0.311	S	S	.	.			trans	-56.8	134	171.8	-23.8	33.9	0	0	0	112.1	Y54 Q55 Q56	Y54-P62 HydrophobicContact CD1-CB 4.16Å; Q55-P62 CarbonylContact O-C 3.6Å; Q55-P62 WeakPolarHBondContact O-CA 3.16Å; Q56-P62 HydrophobicContact CB-CG 4.35Å; Q56-P62 HydrophobicContact CG-CG 4.26Å
63	K	97.5	Very high	97.3	Very high	102 Å²	102	57.3 Å²	57.3	44%	0.443	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	132.2	175.6	-64.6	178.1	-170.7	166.1	0	109.8	Y54 Q55 E60 P61 L65	Y54-K63 CarbonylContact C-O 3.53Å; Y54-K63 VanDerWaalsContact CA-O 3.23Å; Y54-K63 WeakPolarHBondContact CA-O 3.31Å; Q55-K63 PolarHBondContact N-O 2.9Å; Q55-K63 PolarHBondContact O-N 2.97Å; E60-K63 VanDerWaalsContact OE2-CE 3.27Å; E60-K63 WeakPolarHBondContact OE2-CE 3.47Å; E60-K63 IonicContact OE2-NZ 2.73Å; E60-K63 PolarHBondContact OE2-NZ 2.8Å; P61-K63 PolarHBondContact O-N 3.01Å; K63-L65 PolarHBondContact O-N 2.92Å
64	L	97.9	Very high	97.2	Very high	60 Å²	60	63.6 Å²	63.6	31%	0.314	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	126.2	175.7	-177.6	67.8	0	0	0	110.2	N52 Y54 I66 R73	N52-L64 HydrophobicContact CB-CD1 3.97Å; Y54-L64 HydrophobicContact CD1-CB 4.15Å; Y54-L64 HydrophobicContact CD1-CD1 4.35Å; Y54-L64 HydrophobicContact CD2-CD1 4.35Å; Y54-L64 HydrophobicContact CE1-CB 3.84Å; Y54-L64 HydrophobicContact CE1-CD1 3.88Å; Y54-L64 HydrophobicContact CE1-CG 4.45Å; Y54-L64 HydrophobicContact CE2-CD1 3.87Å; L64-I66 WeakPolarHBondContact CD1-O 3.33Å; L64-R73 HydrophobicContact CD2-CG 3.85Å; L64-R73 HydrophobicContact CG-CG 3.85Å
65	L	98.4	Very high	97.2	Very high	10 Å²	10	64.7 Å²	64.7	5%	0.052	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-49.9	178.1	-61.5	177.7	0	0	0	112.1	W53 Q55 K63 R73 V76 F80 F91 Y104	W53-L65 WeakPolarHBondContact O-CB 3.38Å; W53-L65 PolarHBondContact O-N 2.77Å; Q55-L65 HydrophobicContact CB-CD1 3.61Å; Q55-L65 HydrophobicContact CB-CD2 3.97Å; Q55-L65 HydrophobicContact CB-CG 3.88Å; K63-L65 PolarHBondContact O-N 2.92Å; L65-R73 WeakPolarHBondContact O-CB 3.42Å; L65-R73 PolarHBondContact O-N 3.24Å; L65-V76 HydrophobicContact CB-CG1 4.3Å; L65-V76 HydrophobicContact CB-CG2 4.45Å; L65-V76 HydrophobicContact CD2-CG1 3.97Å; L65-V76 HydrophobicContact CD2-CG2 4Å; L65-F80 HydrophobicContact CD1-CD1 3.74Å; L65-F80 HydrophobicContact CD1-CE1 3.7Å; L65-F80 HydrophobicContact CD2-CE1 4.5Å; L65-F91 HydrophobicContact CD1-CE2 4.29Å; L65-F91 HydrophobicContact CD1-CZ 3.86Å; L65-Y104 HydrophobicContact CD1-CD1 4.08Å; L65-Y104 HydrophobicContact CD1-CE1 3.86Å
66	I	98.5	Very high	97.2	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	139	-176.3	-60.5	178.3	0	0	0	107.1	N52 W53 L64 T71 L72 S81 F91	N52-I66 CarbonylContact C-O 3.52Å; N52-I66 WeakPolarHBondContact CA-O 3.48Å; W53-I66 HydrophobicContact CB-CB 4.19Å; W53-I66 PolarHBondContact N-O 3.23Å; W53-I66 PolarHBondContact O-N 2.65Å; L64-I66 WeakPolarHBondContact CD1-O 3.33Å; I66-T71 WeakPolarHBondContact CA-O 3.47Å; I66-L72 HydrophobicContact CD1-CD1 4.11Å; I66-L72 HydrophobicContact CG1-CD1 3.66Å; I66-S81 VanDerWaalsContact CD1-C 3.43Å; I66-F91 HydrophobicContact CD1-CD2 3.87Å; I66-F91 HydrophobicContact CD1-CE2 3.85Å
67	S	97.2	Very high	97.2	Very high	7 Å²	7	64.1 Å²	64.1	5%	0.049	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	174.3	167.8	66.5	0	0	0	0	110.3	M51 N52 G69 T71 R73	M51-S67 CarbonylContact O-C 3.56Å; N52-S67 WeakPolarHBondContact OD1-CA 3.41Å; N52-S67 WeakPolarHBondContact OD1-CB 3.37Å; S67-G69 PolarHBondContact O-N 2.67Å; S67-T71 PolarHBondContact N-O 3.1Å; S67-T71 WeakPolarHBondContact O-CA 3.2Å; S67-T71 VanDerWaalsContact O-CB 3.25Å; S67-T71 WeakPolarHBondContact O-CB 3.2Å; S67-T71 PolarHBondContact O-N 3.37Å; S67-R73 PolarHBondContact OG-NE 2.75Å; S67-R73 VanDerWaalsContact OG-NE 3.1Å; S67-R73 PolarHBondContact OG-NH1 3.03Å; S67-R73 PolarHBondContact OG-NH2 2.8Å
68	E	96.2	Very high	97.3	Very high	93 Å²	93	66.9 Å²	66.9	44%	0.435	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	44.1	179.1	-60.1	155.1	-112	0	0	110.2	D49 M51 N70 R73	D49-E68 CarbonylContact O-C 3.57Å; D49-E68 WeakPolarHBondContact O-CA 3.44Å; M51-E68 PolarHBondContact O-N 2.76Å; E68-N70 PolarHBondContact O-N 2.97Å; E68-R73 IonicContact OE1-CZ 2.74Å; E68-R73 IonicContact OE1-NH1 2.68Å; E68-R73 IonicContact OE1-NH2 3.22Å; E68-R73 PolarHBondContact OE1-NH2 3.4Å
69	G	96.5	Very high	97.4	Very high	2 Å²	2	64 Å²	64	2%	0.021	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	-42.8	172.8	0	0	0	0	0	114.1	D49 M51 S67 S82	D49-G69 WeakPolarHBondContact O-CA 3.16Å; D49-G69 PolarHBondContact O-N 2.81Å; M51-G69 PolarHBondContact O-N 3.49Å; S67-G69 PolarHBondContact O-N 2.67Å; G69-S82 WeakPolarHBondContact O-CB 3.25Å; G69-S82 PolarHBondContact O-OG 3.44Å
70	N	97.9	Very high	97.5	Very high	108 Å²	108	60 Å²	60	58%	0.578	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.5	1.5	-173.4	65.9	30.4	0	0	0	115.1	E68 L72 S82	E68-N70 PolarHBondContact O-N 2.97Å; N70-L72 PolarHBondContact O-N 3.46Å; N70-S82 WeakPolarHBondContact CB-O 3.42Å
71	T	98.2	Very high	97.7	Very high	53 Å²	53	59 Å²	59	33%	0.325	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	102.3	-176.3	-58.7	0	0	0	0	112	I66 S67 R73	I66-T71 WeakPolarHBondContact CA-O 3.47Å; S67-T71 PolarHBondContact N-O 3.1Å; S67-T71 WeakPolarHBondContact O-CA 3.2Å; S67-T71 VanDerWaalsContact O-CB 3.25Å; S67-T71 WeakPolarHBondContact O-CB 3.2Å; S67-T71 PolarHBondContact O-N 3.37Å; T71-R73 PolarHBondContact O-N 3.02Å; T71-R73 PolarHBondContact O-NE 3.35Å
72	L	98.3	Very high	97.8	Very high	62 Å²	62	55.1 Å²	55.1	33%	0.325	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	127.4	177	-162.9	69.1	0	0	0	111.8	I66 N70 V76 F80	I66-L72 HydrophobicContact CD1-CD1 4.11Å; I66-L72 HydrophobicContact CG1-CD1 3.66Å; N70-L72 PolarHBondContact O-N 3.46Å; L72-V76 HydrophobicContact CD1-CB 3.77Å; L72-V76 HydrophobicContact CD1-CG1 3.43Å; L72-V76 VanDerWaalsContact CD1-CG1 3.43Å; L72-V76 HydrophobicContact CD2-CB 4.43Å; L72-V76 HydrophobicContact CG-CB 3.91Å; L72-V76 HydrophobicContact CG-CG1 4.13Å; L72-F80 HydrophobicContact CD1-CB 4.01Å
73	R	98.2	Very high	97.8	Very high	71 Å²	71	55 Å²	55	27%	0.268	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-76.7	153.7	179.3	-64.4	-64	109.2	171.1	2.1	111.7	L64 L65 S67 E68 T71 G75 V76	L64-R73 HydrophobicContact CD2-CG 3.85Å; L64-R73 HydrophobicContact CG-CG 3.85Å; L65-R73 WeakPolarHBondContact O-CB 3.42Å; L65-R73 PolarHBondContact O-N 3.24Å; S67-R73 PolarHBondContact OG-NE 2.75Å; S67-R73 VanDerWaalsContact OG-NE 3.1Å; S67-R73 PolarHBondContact OG-NH1 3.03Å; S67-R73 PolarHBondContact OG-NH2 2.8Å; E68-R73 IonicContact OE1-CZ 2.74Å; E68-R73 IonicContact OE1-NH1 2.68Å; E68-R73 IonicContact OE1-NH2 3.22Å; E68-R73 PolarHBondContact OE1-NH2 3.4Å; T71-R73 PolarHBondContact O-N 3.02Å; T71-R73 PolarHBondContact O-NE 3.35Å; R73-G75 PolarHBondContact O-N 3.46Å; R73-V76 HydrophobicContact CB-CG2 4.15Å; R73-V76 WeakPolarHBondContact O-CB 3.35Å; R73-V76 WeakPolarHBondContact O-CG2 3.45Å; R73-V76 PolarHBondContact O-N 2.78Å
74	P	97.7	Very high	97.8	Very high	131 Å²	131	52.2 Å²	52.2	85%	0.851	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	135.2	179.8	-26.3	35.1	0	0	0	113.3	V76	P74-V76 VanDerWaalsContact C-N 3.3Å; P74-V76 PolarHBondContact O-N 2.66Å
75	G	97.1	Very high	97.8	Very high	86 Å²	86	55.7 Å²	55.7	89%	0.887	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	-6.6	179.3	0	0	0	0	0	114.9	R73	R73-G75 PolarHBondContact O-N 3.46Å
76	V	97.8	Very high	97.8	Very high	23 Å²	23	55.3 Å²	55.3	14%	0.139	34%	0.339	C	S	.	.	S	Bend	trans	-78.5	134.3	174.2	-176.2	0	0	0	0	109.4	L65 L72 R73 P74 F80	L65-V76 HydrophobicContact CB-CG1 4.3Å; L65-V76 HydrophobicContact CB-CG2 4.45Å; L65-V76 HydrophobicContact CD2-CG1 3.97Å; L65-V76 HydrophobicContact CD2-CG2 4Å; L72-V76 HydrophobicContact CD1-CB 3.77Å; L72-V76 HydrophobicContact CD1-CG1 3.43Å; L72-V76 VanDerWaalsContact CD1-CG1 3.43Å; L72-V76 HydrophobicContact CD2-CB 4.43Å; L72-V76 HydrophobicContact CG-CB 3.91Å; L72-V76 HydrophobicContact CG-CG1 4.13Å; R73-V76 HydrophobicContact CB-CG2 4.15Å; R73-V76 WeakPolarHBondContact O-CB 3.35Å; R73-V76 WeakPolarHBondContact O-CG2 3.45Å; R73-V76 PolarHBondContact O-N 2.78Å; P74-V76 VanDerWaalsContact C-N 3.3Å; P74-V76 PolarHBondContact O-N 2.66Å; V76-F80 HydrophobicContact CG1-CB 3.99Å; V76-F80 HydrophobicContact CG1-CD1 4.1Å; V76-F80 HydrophobicContact CG1-CG 4.02Å
77	P	98	Very high	97.7	Very high	44 Å²	44	58.3 Å²	58.3	29%	0.286	36%	0.357	S	S	.	.			trans	-60.5	139.1	-179.4	-25.9	35.7	0	0	0	113.1	R79 F80	P77-R79 HydrophobicContact CB-CG 4.06Å; P77-R79 VanDerWaalsContact CB-NH1 3.3Å; P77-R79 PolarHBondContact O-N 3.26Å; P77-F80 HydrophobicContact CB-CD2 4.02Å; P77-F80 HydrophobicContact CB-CE2 4.3Å; P77-F80 HydrophobicContact CG-CD2 4.37Å; P77-F80 HydrophobicContact CG-CE2 4.28Å; P77-F80 WeakPolarHBondContact O-CB 3.38Å; P77-F80 PolarHBondContact O-N 2.84Å
78	S	97.8	Very high	97.8	Very high	119 Å²	119	60.4 Å²	60.4	83%	0.832	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-7.2	179.6	64.2	0	0	0	0	114.8
79	R	98.2	Very high	97.9	Very high	45 Å²	45	56 Å²	56	17%	0.17	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-13.6	172.3	77.4	-179.5	171.3	-89.9	-3.8	112.7	P77 I93 E94 E99 D100	P77-R79 HydrophobicContact CB-CG 4.06Å; P77-R79 VanDerWaalsContact CB-NH1 3.3Å; P77-R79 PolarHBondContact O-N 3.26Å; R79-I93 HydrophobicContact CG-CG2 4.17Å; R79-E94 HydrophobicContact CB-CB 4.47Å; R79-E94 VanDerWaalsContact CB-O 3.24Å; R79-E94 WeakPolarHBondContact CB-O 3.01Å; R79-E94 VanDerWaalsContact CD-O 3.27Å; R79-E94 WeakPolarHBondContact CD-O 3.23Å; R79-E94 WeakPolarHBondContact CG-O 3.36Å; R79-E94 PolarHBondContact O-N 3.14Å; R79-E99 IonicContact CZ-OE1 3.58Å; R79-E99 IonicContact NH1-OE1 3.56Å; R79-E99 IonicContact NH2-OE1 3.59Å; R79-E99 PolarHBondContact NH2-OE1 2.71Å; R79-D100 IonicContact CZ-OD1 3.58Å; R79-D100 IonicContact CZ-OD2 3.48Å; R79-D100 IonicContact NE-OD1 3.7Å; R79-D100 IonicContact NE-OD2 2.97Å; R79-D100 PolarHBondContact NE-OD2 2.86Å; R79-D100 VanDerWaalsContact NH2-CG 3.33Å; R79-D100 IonicContact NH2-OD1 3.23Å; R79-D100 PolarHBondContact NH2-OD1 2.83Å; R79-D100 IonicContact NH2-OD2 2.65Å; R79-D100 PolarHBondContact NH2-OD2 2.8Å
80	F	98.5	Very high	98	Very high	7 Å²	7	57.6 Å²	57.6	3%	0.031	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	135.2	176.5	-72.5	-128	0	0	0	108.9	L65 L72 V76 P77 F91 T92 I93 D100 Y104	L65-F80 HydrophobicContact CD1-CD1 3.74Å; L65-F80 HydrophobicContact CD1-CE1 3.7Å; L65-F80 HydrophobicContact CD2-CE1 4.5Å; L72-F80 HydrophobicContact CD1-CB 4.01Å; V76-F80 HydrophobicContact CG1-CB 3.99Å; V76-F80 HydrophobicContact CG1-CD1 4.1Å; V76-F80 HydrophobicContact CG1-CG 4.02Å; P77-F80 HydrophobicContact CB-CD2 4.02Å; P77-F80 HydrophobicContact CB-CE2 4.3Å; P77-F80 HydrophobicContact CG-CD2 4.37Å; P77-F80 HydrophobicContact CG-CE2 4.28Å; P77-F80 WeakPolarHBondContact O-CB 3.38Å; P77-F80 PolarHBondContact O-N 2.84Å; F80-F91 HydrophobicContact CB-CE2 4.29Å; F80-F91 AromaticContact CD1-CE2 3.8Å; F80-F91 HydrophobicContact CD1-CE2 3.8Å; F80-F91 AromaticContact CD1-CZ 3.37Å; F80-F91 HydrophobicContact CD1-CZ 3.37Å; F80-F91 AromaticContact CE1-CZ 3.77Å; F80-F91 HydrophobicContact CE1-CZ 3.77Å; F80-F91 HydrophobicContact CG-CE2 4.45Å; F80-F91 HydrophobicContact CG-CZ 4.26Å; F80-T92 CarbonylContact C-O 3.53Å; F80-T92 WeakPolarHBondContact CA-O 3.23Å; F80-I93 HydrophobicContact CD1-CG1 4.27Å; F80-I93 HydrophobicContact CD2-CG2 4.16Å; F80-I93 HydrophobicContact CE1-CD1 3.91Å; F80-I93 HydrophobicContact CE1-CG1 4.09Å; F80-I93 HydrophobicContact CE2-CG1 4.42Å; F80-I93 HydrophobicContact CE2-CG2 3.8Å; F80-I93 HydrophobicContact CG-CG1 4.47Å; F80-I93 HydrophobicContact CZ-CD1 3.86Å; F80-I93 HydrophobicContact CZ-CG1 4.14Å; F80-I93 HydrophobicContact CZ-CG2 4.17Å; F80-D100 WeakPolarHBondContact CZ-OD1 3.32Å; F80-Y104 HydrophobicContact CE1-CE1 4.01Å
81	S	98.4	Very high	98	Very high	53 Å²	53	52.4 Å²	52.4	37%	0.371	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	159.9	177.3	57.6	0	0	0	0	111.1	I66 F91 T92	I66-S81 VanDerWaalsContact CD1-C 3.43Å; S81-F91 WeakPolarHBondContact O-CA 3.46Å; S81-F91 VanDerWaalsContact O-CD2 3.27Å; S81-F91 WeakPolarHBondContact O-CD2 3.39Å; S81-T92 PolarHBondContact N-O 3.17Å; S81-T92 PolarHBondContact O-N 2.88Å
82	S	98.4	Very high	98	Very high	13 Å²	13	50.4 Å²	50.4	9%	0.091	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	150.6	167.6	-169.5	0	0	0	0	110.6	W53 G69 N70 V90	W53-S82 PolarHBondContact NE1-OG 2.81Å; G69-S82 WeakPolarHBondContact O-CB 3.25Å; G69-S82 PolarHBondContact O-OG 3.44Å; N70-S82 WeakPolarHBondContact CB-O 3.42Å; S82-V90 CarbonylContact C-O 3.51Å; S82-V90 WeakPolarHBondContact CA-O 3.47Å; S82-V90 PolarHBondContact OG-O 2.82Å
83	S	98.1	Very high	98	Very high	66 Å²	66	47.6 Å²	47.6	46%	0.462	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	160.5	179.5	61.2	0	0	0	0	108.8	F89 V90	S83-F89 CarbonylContact O-C 3.6Å; S83-F89 WeakPolarHBondContact O-CA 3.49Å; S83-V90 PolarHBondContact N-O 2.98Å; S83-V90 PolarHBondContact O-N 2.88Å
84	G	97.5	Very high	98	Very high	44 Å²	44	48 Å²	48	45%	0.454	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	115.8	172.9	-176.6	0	0	0	0	0	112.1	D88	G84-D88 WeakPolarHBondContact CA-O 2.88Å
85	Y	97.4	Very high	98	Very high	133 Å²	133	47 Å²	47	52%	0.522	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	151.3	-176	-172.6	-93.6	0	0	0	109	D48 D49 T87 D88	D48-Y85 WeakPolarHBondContact O-CD2 3.41Å; D48-Y85 WeakPolarHBondContact OD1-CE2 3.15Å; D48-Y85 PolarHBondContact OD1-OH 2.02Å; D48-Y85 PolarHBondContact OD2-OH 3.43Å; D49-Y85 HydrophobicContact CB-CD2 4.41Å; D49-Y85 HydrophobicContact CB-CE2 4.35Å; Y85-T87 PolarHBondContact O-N 2.81Å; Y85-D88 PolarHBondContact N-O 2.93Å
86	G	97.4	Very high	98	Very high	2 Å²	2	43.5 Å²	43.5	2%	0.021	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	-91	174	0	0	0	0	0	113.1	T43 D46 I47 D48 F89	T43-G86 PolarHBondContact OG1-O 2.93Å; D46-G86 WeakPolarHBondContact OD1-CA 3.32Å; I47-G86 WeakPolarHBondContact CG1-O 3.37Å; I47-G86 PolarHBondContact N-O 2.65Å; D48-G86 PolarHBondContact O-N 2.98Å; G86-F89 WeakPolarHBondContact O-CE2 3.45Å
87	T	97.2	Very high	98	Very high	62 Å²	62	45.5 Å²	45.5	38%	0.38	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-10.7	-173.8	52.8	0	0	0	0	115.2	I42 T43 T45 Y85	I42-T87 CarbonylContact C-O 2.96Å; I42-T87 VanDerWaalsContact CA-O 3.25Å; I42-T87 WeakPolarHBondContact CA-O 2.93Å; T43-T87 PolarHBondContact N-O 2.96Å; T43-T87 WeakPolarHBondContact OG1-CA 3.39Å; T45-T87 WeakPolarHBondContact O-CG2 3.34Å; Y85-T87 PolarHBondContact O-N 2.81Å
88	D	98.2	Very high	97.9	Very high	52 Å²	52	48.3 Å²	48.3	28%	0.278	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	114	-168.8	-172	6.9	0	0	0	110.7	R40 G84 Y85	R40-D88 WeakPolarHBondContact CG-OD1 3.35Å; R40-D88 IonicContact CZ-OD1 2.97Å; R40-D88 IonicContact CZ-OD2 3.6Å; R40-D88 VanDerWaalsContact CZ-OD2 3.32Å; R40-D88 IonicContact NE-OD1 2.66Å; R40-D88 PolarHBondContact NE-OD1 3.45Å; R40-D88 IonicContact NE-OD2 3.85Å; R40-D88 PolarHBondContact NE-OD2 3.13Å; R40-D88 IonicContact NH2-OD1 3.88Å; R40-D88 IonicContact NH2-OD2 2.76Å; R40-D88 PolarHBondContact NH2-OD2 2.84Å; G84-D88 WeakPolarHBondContact CA-O 2.88Å; Y85-D88 PolarHBondContact N-O 2.93Å
89	F	98.4	Very high	97.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	143.3	-178.6	-62.8	-95.2	0	0	0	110.4	R40 C41 I47 D48 M51 W53 S83 G86	R40-F89 CarbonylContact C-O 3.57Å; R40-F89 WeakPolarHBondContact CA-O 3.27Å; C41-F89 HydrophobicContact CB-CB 4.4Å; C41-F89 PolarHBondContact N-O 3.14Å; C41-F89 PolarHBondContact O-N 2.91Å; I47-F89 HydrophobicContact CD1-CE2 3.66Å; I47-F89 HydrophobicContact CD1-CZ 3.94Å; I47-F89 HydrophobicContact CG1-CE2 3.67Å; I47-F89 HydrophobicContact CG1-CZ 3.93Å; D48-F89 WeakPolarHBondContact O-CZ 3.4Å; M51-F89 HydrophobicContact CB-CB 4.47Å; M51-F89 HydrophobicContact CB-CD1 3.46Å; M51-F89 VanDerWaalsContact CB-CD1 3.46Å; M51-F89 HydrophobicContact CB-CD2 3.96Å; M51-F89 HydrophobicContact CB-CE1 3.47Å; M51-F89 VanDerWaalsContact CB-CE1 3.47Å; M51-F89 HydrophobicContact CB-CE2 3.98Å; M51-F89 HydrophobicContact CB-CG 3.69Å; M51-F89 HydrophobicContact CB-CZ 3.73Å; M51-F89 HydrophobicContact CE-CB 4.4Å; M51-F89 HydrophobicContact CE-CD2 3.48Å; M51-F89 VanDerWaalsContact CE-CD2 3.48Å; M51-F89 HydrophobicContact CE-CE2 3.91Å; M51-F89 HydrophobicContact CE-CG 4.04Å; M51-F89 HydrophobicContact CG-CB 3.91Å; M51-F89 HydrophobicContact CG-CD1 3.85Å; M51-F89 HydrophobicContact CG-CD2 4.04Å; M51-F89 HydrophobicContact CG-CE1 4.35Å; M51-F89 HydrophobicContact CG-CG 3.66Å; W53-F89 HydrophobicContact CZ2-CB 4.24Å; S83-F89 CarbonylContact O-C 3.6Å; S83-F89 WeakPolarHBondContact O-CA 3.49Å; G86-F89 WeakPolarHBondContact O-CE2 3.45Å
90	V	98.5	Very high	97.7	Very high	35 Å²	35	45.6 Å²	45.6	21%	0.212	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	121	-179.1	179.4	0	0	0	0	108.4	T38 I39 R40 S82 S83	T38-V90 HydrophobicContact CG2-CG1 3.28Å; I39-V90 CarbonylContact O-C 3.54Å; I39-V90 WeakPolarHBondContact O-CA 3.48Å; R40-V90 HydrophobicContact CG-CG2 4.19Å; S82-V90 CarbonylContact C-O 3.51Å; S82-V90 WeakPolarHBondContact CA-O 3.47Å; S82-V90 PolarHBondContact OG-O 2.82Å; S83-V90 PolarHBondContact N-O 2.98Å; S83-V90 PolarHBondContact O-N 2.88Å
91	F	98.4	Very high	97.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	135.8	170.4	174.1	-109.7	0	0	0	110.2	T38 I39 W53 L65 I66 F80 S81 I93 Y104	T38-F91 CarbonylContact C-O 3.6Å; T38-F91 WeakPolarHBondContact CA-O 3.42Å; I39-F91 HydrophobicContact CB-CB 4.5Å; I39-F91 HydrophobicContact CB-CD1 4.44Å; I39-F91 HydrophobicContact CD1-CD1 4.15Å; I39-F91 HydrophobicContact CG1-CD1 4.44Å; I39-F91 PolarHBondContact N-O 2.56Å; I39-F91 PolarHBondContact O-N 3.48Å; W53-F91 HydrophobicContact CB-CD2 4.33Å; W53-F91 HydrophobicContact CD2-CB 3.51Å; W53-F91 HydrophobicContact CD2-CD2 4.09Å; W53-F91 AromaticContact CD2-CG 3.88Å; W53-F91 HydrophobicContact CD2-CG 3.88Å; W53-F91 VanDerWaalsContact CE2-CB 3.45Å; W53-F91 HydrophobicContact CE3-CB 3.55Å; W53-F91 HydrophobicContact CE3-CD1 4.19Å; W53-F91 HydrophobicContact CE3-CD2 4.41Å; W53-F91 AromaticContact CE3-CG 3.84Å; W53-F91 HydrophobicContact CE3-CG 3.84Å; W53-F91 HydrophobicContact CG-CB 4.27Å; W53-F91 HydrophobicContact CG-CD2 4.02Å; W53-F91 HydrophobicContact CG-CG 4.31Å; W53-F91 HydrophobicContact CH2-CB 3.45Å; W53-F91 VanDerWaalsContact CH2-CB 3.45Å; W53-F91 HydrophobicContact CZ2-CB 3.43Å; W53-F91 VanDerWaalsContact CZ2-CB 3.43Å; W53-F91 HydrophobicContact CZ3-CB 3.52Å; W53-F91 HydrophobicContact CZ3-CD1 4.4Å; W53-F91 HydrophobicContact CZ3-CG 4.17Å; L65-F91 HydrophobicContact CD1-CE2 4.29Å; L65-F91 HydrophobicContact CD1-CZ 3.86Å; I66-F91 HydrophobicContact CD1-CD2 3.87Å; I66-F91 HydrophobicContact CD1-CE2 3.85Å; F80-F91 HydrophobicContact CB-CE2 4.29Å; F80-F91 AromaticContact CD1-CE2 3.8Å; F80-F91 HydrophobicContact CD1-CE2 3.8Å; F80-F91 AromaticContact CD1-CZ 3.37Å; F80-F91 HydrophobicContact CD1-CZ 3.37Å; F80-F91 AromaticContact CE1-CZ 3.77Å; F80-F91 HydrophobicContact CE1-CZ 3.77Å; F80-F91 HydrophobicContact CG-CE2 4.45Å; F80-F91 HydrophobicContact CG-CZ 4.26Å; S81-F91 WeakPolarHBondContact O-CA 3.46Å; S81-F91 VanDerWaalsContact O-CD2 3.27Å; S81-F91 WeakPolarHBondContact O-CD2 3.39Å; F91-I93 HydrophobicContact CD1-CG1 4.42Å; F91-I93 HydrophobicContact CE1-CD1 3.8Å; F91-I93 HydrophobicContact CE1-CG1 3.58Å; F91-I93 HydrophobicContact CZ-CD1 4.16Å; F91-I93 HydrophobicContact CZ-CG1 3.78Å; F91-Y104 AromaticContact CE1-CD1 3.62Å; F91-Y104 HydrophobicContact CE1-CD1 3.62Å; F91-Y104 AromaticContact CE1-CE1 3.82Å; F91-Y104 HydrophobicContact CE1-CE1 3.82Å; F91-Y104 HydrophobicContact CE1-CG 4.34Å; F91-Y104 HydrophobicContact CZ-CD1 4.08Å; F91-Y104 HydrophobicContact CZ-CE1 4.04Å
92	T	98.5	Very high	97.6	Very high	11 Å²	11	47.1 Å²	47.1	7%	0.067	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	133.5	-177	-63.8	0	0	0	0	110.5	K36 V37 F80 S81 E94	K36-T92 HydrophobicContact CD-CG2 4.27Å; K36-T92 HydrophobicContact CG-CG2 4.04Å; V37-T92 VanDerWaalsContact O-CA 3.31Å; V37-T92 WeakPolarHBondContact O-CA 3.23Å; F80-T92 CarbonylContact C-O 3.53Å; F80-T92 WeakPolarHBondContact CA-O 3.23Å; S81-T92 PolarHBondContact N-O 3.17Å; S81-T92 PolarHBondContact O-N 2.88Å; T92-E94 HydrophobicContact CG2-CG 4.07Å; T92-E94 VanDerWaalsContact CG2-OE1 3.3Å; T92-E94 WeakPolarHBondContact CG2-OE1 3.01Å
93	I	98.5	Very high	97.5	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	112.9	164.8	-50.7	174.8	0	0	0	106.7	K36 V37 R79 F80 F91 Y104	K36-I93 WeakPolarHBondContact CA-O 3.45Å; V37-I93 HydrophobicContact CB-CB 4.28Å; V37-I93 PolarHBondContact N-O 2.75Å; V37-I93 PolarHBondContact O-N 2.88Å; R79-I93 HydrophobicContact CG-CG2 4.17Å; F80-I93 HydrophobicContact CD1-CG1 4.27Å; F80-I93 HydrophobicContact CD2-CG2 4.16Å; F80-I93 HydrophobicContact CE1-CD1 3.91Å; F80-I93 HydrophobicContact CE1-CG1 4.09Å; F80-I93 HydrophobicContact CE2-CG1 4.42Å; F80-I93 HydrophobicContact CE2-CG2 3.8Å; F80-I93 HydrophobicContact CG-CG1 4.47Å; F80-I93 HydrophobicContact CZ-CD1 3.86Å; F80-I93 HydrophobicContact CZ-CG1 4.14Å; F80-I93 HydrophobicContact CZ-CG2 4.17Å; F91-I93 HydrophobicContact CD1-CG1 4.42Å; F91-I93 HydrophobicContact CE1-CD1 3.8Å; F91-I93 HydrophobicContact CE1-CG1 3.58Å; F91-I93 HydrophobicContact CZ-CD1 4.16Å; F91-I93 HydrophobicContact CZ-CG1 3.78Å; I93-Y104 HydrophobicContact CD1-CE1 3.95Å; I93-Y104 HydrophobicContact CD1-CE2 4.28Å; I93-Y104 WeakPolarHBondContact CD1-OH 3.25Å
94	E	98.4	Very high	97.5	Very high	79 Å²	79	48.7 Å²	48.7	37%	0.369	27%	0.272	S	S	.	.	S	Bend	trans	-82.6	146.1	170.5	-63.7	-63.4	164.8	0	0	109.6	K36 R79 T92 T96	K36-E94 WeakPolarHBondContact CD-OE1 3.36Å; K36-E94 WeakPolarHBondContact CE-OE1 3.39Å; K36-E94 IonicContact NZ-OE1 3.32Å; K36-E94 PolarHBondContact NZ-OE1 3.18Å; R79-E94 HydrophobicContact CB-CB 4.47Å; R79-E94 VanDerWaalsContact CB-O 3.24Å; R79-E94 WeakPolarHBondContact CB-O 3.01Å; R79-E94 VanDerWaalsContact CD-O 3.27Å; R79-E94 WeakPolarHBondContact CD-O 3.23Å; R79-E94 WeakPolarHBondContact CG-O 3.36Å; R79-E94 PolarHBondContact O-N 3.14Å; T92-E94 HydrophobicContact CG2-CG 4.07Å; T92-E94 VanDerWaalsContact CG2-OE1 3.3Å; T92-E94 WeakPolarHBondContact CG2-OE1 3.01Å; E94-T96 PolarHBondContact O-N 3.02Å
95	N	97.5	Very high	97.5	Very high	110 Å²	110	51.1 Å²	51.1	59%	0.588	27%	0.268	S	S	*	.	S	Bend	trans	48.5	59.2	178.1	-88.5	-25.8	0	0	0	113.8	G34 L97	G34-N95 PolarHBondContact O-OD1 2.97Å; N95-L97 PolarHBondContact O-N 2.91Å
96	T	97.2	Very high	97.4	Very high	13 Å²	13	45.3 Å²	45.3	8%	0.08	25%	0.246	C	C	.	.			trans	-53.2	135.8	-177.3	-53.9	0	0	0	0	112.1	V31 T33 G34 E35 V37 E94 D100	V31-T96 HydrophobicContact CG2-CG2 4.03Å; T33-T96 CarbonylContact C-O 3.58Å; T33-T96 VanDerWaalsContact CA-O 3.32Å; T33-T96 WeakPolarHBondContact CA-O 3.47Å; T33-T96 WeakPolarHBondContact CG2-O 3.35Å; G34-T96 PolarHBondContact N-O 3Å; E35-T96 VanDerWaalsContact O-CB 3.3Å; E35-T96 WeakPolarHBondContact O-CB 3.34Å; E35-T96 PolarHBondContact O-N 3.41Å; E35-T96 PolarHBondContact O-OG1 3.1Å; V37-T96 HydrophobicContact CG2-CG2 4.35Å; V37-T96 WeakPolarHBondContact CG2-OG1 3.3Å; E94-T96 PolarHBondContact O-N 3.02Å; T96-D100 HydrophobicContact CG2-CB 3.97Å
97	L	97.1	Very high	97.3	Very high	66 Å²	66	48.9 Å²	48.9	35%	0.346	27%	0.265	S	S	.	.			trans	-110.4	163.6	177.6	-58.9	-175.8	0	0	0	111.5	T33 N95 E99 D100	T33-L97 HydrophobicContact CG2-CD2 4.33Å; N95-L97 PolarHBondContact O-N 2.91Å; L97-E99 HydrophobicContact CB-CG 3.82Å; L97-E99 HydrophobicContact CD1-CG 4.36Å; L97-E99 PolarHBondContact O-N 2.87Å; L97-E99 VanDerWaalsContact O-N 3.17Å; L97-D100 PolarHBondContact N-OD2 3.26Å; L97-D100 WeakPolarHBondContact O-CB 3.34Å; L97-D100 PolarHBondContact O-N 2.79Å
98	S	95.2	Very high	97.1	Very high	103 Å²	103	46.4 Å²	46.4	72%	0.72	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-61.5	-24.5	176.1	55.5	0	0	0	0	113.4	D100 V101	S98-D100 PolarHBondContact O-N 3.17Å; S98-V101 WeakPolarHBondContact O-CG2 3.29Å
99	E	95.6	Very high	96.9	Very high	97 Å²	97	45.5 Å²	45.5	45%	0.453	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-74.6	-11.2	175.5	62.6	175.4	-158.6	0	0	114.1	K57 R79 L97 V101	K57-E99 WeakPolarHBondContact CE-O 3.29Å; K57-E99 PolarHBondContact NZ-O 3.43Å; R79-E99 IonicContact CZ-OE1 3.58Å; R79-E99 IonicContact NH1-OE1 3.56Å; R79-E99 IonicContact NH2-OE1 3.59Å; R79-E99 PolarHBondContact NH2-OE1 2.71Å; L97-E99 HydrophobicContact CB-CG 3.82Å; L97-E99 HydrophobicContact CD1-CG 4.36Å; L97-E99 PolarHBondContact O-N 2.87Å; L97-E99 VanDerWaalsContact O-N 3.17Å; E99-V101 VanDerWaalsContact C-N 3.31Å
100	D	97	Very high	96.4	Very high	9 Å²	9	47 Å²	47	5%	0.048	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-87.2	-1	-179	-62.3	-32.5	0	0	0	112.6	R79 F80 T96 L97 S98 A102 Y104	R79-D100 IonicContact CZ-OD1 3.58Å; R79-D100 IonicContact CZ-OD2 3.48Å; R79-D100 IonicContact NE-OD1 3.7Å; R79-D100 IonicContact NE-OD2 2.97Å; R79-D100 PolarHBondContact NE-OD2 2.86Å; R79-D100 VanDerWaalsContact NH2-CG 3.33Å; R79-D100 IonicContact NH2-OD1 3.23Å; R79-D100 PolarHBondContact NH2-OD1 2.83Å; R79-D100 IonicContact NH2-OD2 2.65Å; R79-D100 PolarHBondContact NH2-OD2 2.8Å; F80-D100 WeakPolarHBondContact CZ-OD1 3.32Å; T96-D100 HydrophobicContact CG2-CB 3.97Å; L97-D100 PolarHBondContact N-OD2 3.26Å; L97-D100 WeakPolarHBondContact O-CB 3.34Å; L97-D100 PolarHBondContact O-N 2.79Å; S98-D100 PolarHBondContact O-N 3.17Å; D100-A102 PolarHBondContact O-N 2.98Å; D100-A102 VanDerWaalsContact O-N 3.1Å; D100-Y104 WeakPolarHBondContact O-CE2 3.43Å; D100-Y104 PolarHBondContact O-OH 3.17Å
101	V	96.7	Very high	95.6	Very high	75 Å²	75	51.5 Å²	51.5	46%	0.455	28%	0.277	S	S	.	.			trans	-67.4	109.2	174.6	179.8	0	0	0	0	109.3	L6 S98 E99	L6-V101 HydrophobicContact CD1-CG1 3.9Å; S98-V101 WeakPolarHBondContact O-CG2 3.29Å; E99-V101 VanDerWaalsContact C-N 3.31Å
102	A	97.5	Very high	94.4	Very high	17 Å²	17	56.6 Å²	56.6	14%	0.14	30%	0.302	C	S	.	.	S	Bend	trans	-165.4	166.6	-175.1	0	0	0	0	0	110	Q55 Q56 K57 D100 Y104	Q55-A102 HydrophobicContact CG-CB 3.38Å; Q56-A102 WeakPolarHBondContact O-CA 3.2Å; Q56-A102 WeakPolarHBondContact O-CB 3.29Å; K57-A102 HydrophobicContact CG-CB 4.15Å; D100-A102 PolarHBondContact O-N 2.98Å; D100-A102 VanDerWaalsContact O-N 3.1Å; A102-Y104 HydrophobicContact CB-CD2 4.48Å; A102-Y104 HydrophobicContact CB-CE2 3.89Å; A102-Y104 WeakPolarHBondContact O-CD2 3.34Å; A102-Y104 WeakPolarHBondContact O-CE2 3.47Å
103	D	97.3	Very high	92.3	Very high	84 Å²	84	63 Å²	63	45%	0.449	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	140.6	161.3	-64.7	-50	0	0	0	109.3	Q56 Y105	Q56-D103 HydrophobicContact CB-CB 4.49Å; Q56-D103 PolarHBondContact N-O 3.42Å; Q56-D103 PolarHBondContact O-N 3.34Å; D103-Y105 HydrophobicContact CB-CE2 3.64Å; D103-Y105 VanDerWaalsContact CB-OH 3.29Å; D103-Y105 WeakPolarHBondContact CB-OH 3.14Å
104	Y	97.7	Very high	91.9	Very high	29 Å²	29	66 Å²	66	11%	0.114	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	129.7	-178.3	-69.1	-91	0	0	0	110.3	Q24 I39 Y54 Q55 L65 F80 F91 I93 D100 A102	Q24-Y104 PolarHBondContact NE2-O 2.87Å; I39-Y104 HydrophobicContact CD1-CD2 4.16Å; I39-Y104 HydrophobicContact CD1-CG 3.95Å; Y54-Y104 WeakPolarHBondContact O-CA 3.28Å; Q55-Y104 HydrophobicContact CB-CD1 4.28Å; Q55-Y104 HydrophobicContact CB-CE1 4Å; Q55-Y104 HydrophobicContact CG-CD1 4.46Å; Q55-Y104 HydrophobicContact CG-CE1 3.88Å; Q55-Y104 PolarHBondContact NE2-OH 3.2Å; L65-Y104 HydrophobicContact CD1-CD1 4.08Å; L65-Y104 HydrophobicContact CD1-CE1 3.86Å; F80-Y104 HydrophobicContact CE1-CE1 4.01Å; F91-Y104 AromaticContact CE1-CD1 3.62Å; F91-Y104 HydrophobicContact CE1-CD1 3.62Å; F91-Y104 AromaticContact CE1-CE1 3.82Å; F91-Y104 HydrophobicContact CE1-CE1 3.82Å; F91-Y104 HydrophobicContact CE1-CG 4.34Å; F91-Y104 HydrophobicContact CZ-CD1 4.08Å; F91-Y104 HydrophobicContact CZ-CE1 4.04Å; I93-Y104 HydrophobicContact CD1-CE1 3.95Å; I93-Y104 HydrophobicContact CD1-CE2 4.28Å; I93-Y104 WeakPolarHBondContact CD1-OH 3.25Å; D100-Y104 WeakPolarHBondContact O-CE2 3.43Å; D100-Y104 PolarHBondContact O-OH 3.17Å; A102-Y104 HydrophobicContact CB-CD2 4.48Å; A102-Y104 HydrophobicContact CB-CE2 3.89Å; A102-Y104 WeakPolarHBondContact O-CD2 3.34Å; A102-Y104 WeakPolarHBondContact O-CE2 3.47Å
105	Y	96.9	Very high	91.6	Very high	94 Å²	94	65.3 Å²	65.3	37%	0.369	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.9	-175.8	-54.5	-80.2	0	0	0	110.4	W53 Y54 Q56 D103	W53-Y105 CarbonylContact C-O 3.56Å; W53-Y105 WeakPolarHBondContact CA-O 3.33Å; Y54-Y105 PolarHBondContact N-O 2.83Å; Y54-Y105 PolarHBondContact O-N 3.42Å; Q56-Y105 HydrophobicContact CB-CD2 4.43Å; Q56-Y105 HydrophobicContact CB-CE2 3.81Å; D103-Y105 HydrophobicContact CB-CE2 3.64Å; D103-Y105 VanDerWaalsContact CB-OH 3.29Å; D103-Y105 WeakPolarHBondContact CB-OH 3.14Å
106	C	96.4	Very high	91.3	Very high	11 Å²	11	62.8 Å²	62.8	7%	0.074	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	144.3	164.2	69	0	0	0	0	109.9	V22 Q24 C41 M51 N52 W53	V22-C106 WeakPolarHBondContact CG1-SG 3.33Å; Q24-C106 HydrophobicContact CG-CB 4.36Å; Q24-C106 WeakPolarHBondContact CG-SG 3.49Å; Q24-C106 PolarHBondContact OE1-SG 3.02Å; C41-C106 HydrophobicContact CB-CB 3.54Å; C41-C106 WeakPolarHBondContact CB-SG 3.22Å; C41-C106 WeakPolarHBondContact SG-CB 3.41Å; C41-C106 CovalentContact SG-SG 2.02Å; C41-C106 PolarHBondContact SG-SG 3Å; M51-C106 HydrophobicContact SD-CB 3.61Å; N52-C106 CarbonylContact O-C 3.57Å; N52-C106 VanDerWaalsContact O-CA 3.23Å; N52-C106 WeakPolarHBondContact O-CA 3.44Å; W53-C106 HydrophobicContact CD2-CB 4.19Å; W53-C106 HydrophobicContact CE3-CB 3.93Å; W53-C106 HydrophobicContact CH2-CB 3.95Å; W53-C106 HydrophobicContact CZ2-CB 4.17Å; W53-C106 HydrophobicContact CZ3-CB 3.82Å
107	L	95.2	Very high	90.9	Very high	78 Å²	78	65.8 Å²	65.8	41%	0.408	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	124.5	177.1	-179.4	67.1	0	0	0	109.1	N52 Y54	N52-L107 WeakPolarHBondContact CB-O 3.41Å; N52-L107 PolarHBondContact N-O 2.96Å; N52-L107 PolarHBondContact ND2-O 3.45Å; N52-L107 VanDerWaalsContact ND2-O 3.1Å; N52-L107 PolarHBondContact O-N 3.43Å; Y54-L107 HydrophobicContact CD2-CB 4.34Å; Y54-L107 HydrophobicContact CE2-CB 3.93Å; Y54-L107 HydrophobicContact CE2-CD2 4.1Å
108	Q	93.4	Very high	90.5	Very high	10 Å²	10	65.8 Å²	65.8	5%	0.047	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	137	172.7	74.5	84.4	36.3	0	0	110	S18 T20 V22 T43 I47 D50 D110	S18-Q108 PolarHBondContact OG-NE2 3.01Å; T20-Q108 HydrophobicContact CG2-CG 4Å; V22-Q108 HydrophobicContact CG2-CB 4.26Å; V22-Q108 HydrophobicContact CG2-CG 3.77Å; T43-Q108 HydrophobicContact CG2-CB 4.35Å; I47-Q108 HydrophobicContact CD1-CB 3.66Å; I47-Q108 HydrophobicContact CG2-CB 4.27Å; D50-Q108 CarbonylContact O-C 3.53Å; D50-Q108 VanDerWaalsContact O-CA 3.28Å; D50-Q108 WeakPolarHBondContact O-CA 3.44Å; Q108-D110 PolarHBondContact NE2-O 3.18Å; Q108-D110 VanDerWaalsContact OE1-N 3.12Å; Q108-D110 PolarHBondContact OE1-O 3.06Å
109	S	92.8	Very high	90.2	Very high	33 Å²	33	63.3 Å²	63.3	23%	0.231	34%	0.341	C	S	.	.			trans	-108.8	0.5	175.8	47.6	0	0	0	0	113.9	D50 N52 N111 M112	D50-S109 WeakPolarHBondContact CB-OG 3.16Å; D50-S109 PolarHBondContact O-N 3.5Å; D50-S109 PolarHBondContact O-OG 3.06Å; D50-S109 PolarHBondContact OD1-OG 3.23Å; N52-S109 WeakPolarHBondContact ND2-CB 3.48Å; N52-S109 PolarHBondContact ND2-OG 3.38Å; S109-N111 PolarHBondContact O-N 2.86Å; S109-M112 WeakPolarHBondContact O-CB 3.32Å; S109-M112 PolarHBondContact O-N 3.25Å
110	D	89.5	Confident	89.9	Confident	30 Å²	30	60.9 Å²	60.9	16%	0.16	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	132.7	179.4	174.3	54.9	0	0	0	110	I47 D50 Q108 M112	I47-D110 HydrophobicContact CB-CB 3.6Å; I47-D110 HydrophobicContact CG2-CB 3.79Å; D50-D110 HydrophobicContact CB-CB 3.82Å; D50-D110 VanDerWaalsContact CB-N 3.34Å; D50-D110 WeakPolarHBondContact OD2-CA 3.27Å; Q108-D110 PolarHBondContact NE2-O 3.18Å; Q108-D110 VanDerWaalsContact OE1-N 3.12Å; Q108-D110 PolarHBondContact OE1-O 3.06Å; D110-M112 PolarHBondContact O-N 3.39Å
111	N	79.9	Confident	89.3	Confident	130 Å²	130	64.8 Å²	64.8	70%	0.695	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	28.1	-179	-64.9	-62.3	0	0	0	113.9	S109	S109-N111 PolarHBondContact O-N 2.86Å
112	M	73.1	Confident	88.7	Confident	107 Å²	107	64 Å²	64	53%	0.527	35%	0.346	S	S	.	.			trans	-72.2	133.8	173.5	-170.5	175.2	65.3	0	0	108.6	S109 D110	S109-M112 WeakPolarHBondContact O-CB 3.32Å; S109-M112 PolarHBondContact O-N 3.25Å; D110-M112 PolarHBondContact O-N 3.39Å
113	P	54.5	Low	87.9	Confident	145 Å²	145	68.3 Å²	68.3	94%	0.942	37%	0.365	S	S	*	.			trans	-63	0	174.9	7.7	-6.4	0	0	0	113.5	V17	V17-P113 HydrophobicContact CB-CG 3.71Å; V17-P113 HydrophobicContact CG1-CG 3.38Å

Retrieved 113 of 113 residues in 229.2 ms (Link to these results)

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