A0A075B5N8_MOUSE Loading...

Immunoglobulin kappa variable 3-10

AlphaFold DB , UniProt , Accession A0A075B5N8, Species MOUSE (Mus musculus, Mouse), Gene Igkv3-10, Length 118 aa.

						>A0A075B5N8_MOUSE|A0A075B5N8|Igkv3-10
METDTLLLWVLLLWVPGESNIVLTQSPASLAVSLGQRATISCRASESVDSYGNSFMHWYQQKPGQPPKLLIYLASNLESGVPARFSGSGSRTDFTLTIDPVEADDAATYYCQQNNEDP
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	48.3	Very low	56.3	Low	237 Å²	237	164.4 Å²	164.4	100%	1.167	85%	0.845	S	S	*	*				0	101.6	0	-89	164.3	53.9	0	0	106.1
2	E	52.1	Low	56.9	Low	196 Å²	196	163.9 Å²	163.9	92%	0.916	84%	0.844	S	S	*	*			trans	-74	134.3	-163.6	-69.3	150.2	120.4	0	0	111.1	D4	E2-D4 PolarHBondContact O-N 2.78Å
3	T	49.7	Very low	57.2	Low	129 Å²	129	162.5 Å²	162.5	79%	0.791	84%	0.837	S	S	*	*			trans	-72.1	110	174.9	25.4	0	0	0	0	110.2	T5	T3-T5 PolarHBondContact O-N 2.82Å; T3-T5 VanDerWaalsContact O-N 3.12Å; T3-T5 PolarHBondContact O-OG1 2.89Å
4	D	55.3	Low	57.5	Low	173 Å²	173	167.7 Å²	167.7	93%	0.925	84%	0.841	S	S	*	*			trans	-64.4	108.2	167.2	-106.4	-26.8	0	0	0	109.3	E2	E2-D4 PolarHBondContact O-N 2.78Å
5	T	62	Low	57.6	Low	111 Å²	111	163.9 Å²	163.9	68%	0.681	83%	0.83	S	S	*	*			trans	-98.5	104.8	180	-45.2	0	0	0	0	107.8	T3 L7	T3-T5 PolarHBondContact O-N 2.82Å; T3-T5 VanDerWaalsContact O-N 3.12Å; T3-T5 PolarHBondContact O-OG1 2.89Å; T5-L7 PolarHBondContact O-N 3.48Å
6	L	55	Low	57.4	Low	172 Å²	172	160.6 Å²	160.6	90%	0.901	82%	0.823	S	S	*	*			trans	-71.8	105.6	174.6	-103.9	150.5	0	0	0	109.9
7	L	59.8	Low	57.3	Low	139 Å²	139	154.5 Å²	154.5	73%	0.728	81%	0.809	S	S	*	*			trans	-79.7	117.6	170.6	-81.3	156.5	0	0	0	109.8	T5 W9	T5-L7 PolarHBondContact O-N 3.48Å; L7-W9 VanDerWaalsContact O-CD1 3.29Å
8	L	51.3	Low	57.5	Low	163 Å²	163	156.3 Å²	156.3	85%	0.853	81%	0.813	S	S	*	*			trans	-82.7	118.7	170.2	-94.8	148.2	0	0	0	109.9
9	W	56.4	Low	58.1	Low	221 Å²	221	151.6 Å²	151.6	84%	0.837	79%	0.794	S	S	*	*			trans	-96	95.9	178.2	-63.6	37.3	0	0	0	107.7	L7 L11	L7-W9 VanDerWaalsContact O-CD1 3.29Å; W9-L11 PolarHBondContact O-N 3.09Å
10	V	65.9	Low	59.5	Low	118 Å²	118	148.7 Å²	148.7	72%	0.715	78%	0.78	S	S	*	*			trans	-81.9	100.2	171.9	-179.3	0	0	0	0	108	L12	V10-L12 HydrophobicContact CG1-CG 4.13Å; V10-L12 PolarHBondContact O-N 3.39Å
11	L	63.3	Low	61.1	Low	149 Å²	149	142.4 Å²	142.4	78%	0.78	75%	0.747	S	S	*	*			trans	-77	94	166.3	-88.8	148.4	0	0	0	108.7	W9 L13	W9-L11 PolarHBondContact O-N 3.09Å; L11-L13 PolarHBondContact O-N 3.42Å
12	L	64.1	Low	63.4	Low	159 Å²	159	135.3 Å²	135.3	83%	0.832	72%	0.717	S	S	*	*			trans	-76.2	93.7	162	-80.2	159.5	0	0	0	107.8	V10 W14	V10-L12 HydrophobicContact CG1-CG 4.13Å; V10-L12 PolarHBondContact O-N 3.39Å; L12-W14 PolarHBondContact O-N 2.96Å; L12-W14 VanDerWaalsContact O-N 3.08Å
13	L	60.8	Low	65.5	Low	145 Å²	145	128.4 Å²	128.4	76%	0.759	69%	0.686	S	S	*	*			trans	-69.9	98.9	167.7	-71.4	168.6	0	0	0	108.2	L11 V15	L11-L13 PolarHBondContact O-N 3.42Å; L13-V15 PolarHBondContact O-N 2.92Å; L13-V15 VanDerWaalsContact O-N 3.13Å
14	W	60.5	Low	67.8	Low	236 Å²	236	126.5 Å²	126.5	89%	0.894	67%	0.674	S	S	*	*			trans	-75	97.4	162.9	-164.1	-6.1	0	0	0	107	L12 P16	L12-W14 PolarHBondContact O-N 2.96Å; L12-W14 VanDerWaalsContact O-N 3.08Å; W14-P16 WeakPolarHBondContact O-CD 3.29Å
15	V	59.2	Low	69.9	Low	110 Å²	110	121.3 Å²	121.3	67%	0.667	64%	0.644	S	S	*	*			trans	-80.5	114.2	163.6	-174.4	0	0	0	0	105.4	L13 G17	L13-V15 PolarHBondContact O-N 2.92Å; L13-V15 VanDerWaalsContact O-N 3.13Å; V15-G17 VanDerWaalsContact C-N 3.27Å; V15-G17 PolarHBondContact O-N 3.04Å
16	P	54.9	Low	71.6	Confident	112 Å²	112	118.8 Å²	118.8	73%	0.727	63%	0.631	S	S	*	*			trans	-65.5	99.9	161.1	1.7	14.4	0	0	0	105.3	W14	W14-P16 WeakPolarHBondContact O-CD 3.29Å
17	G	55.6	Low	73.7	Confident	56 Å²	56	113.6 Å²	113.6	58%	0.577	61%	0.607	S	S	*	*			trans	-65.6	139.6	161.9	0	0	0	0	0	107.5	V15 S19	V15-G17 VanDerWaalsContact C-N 3.27Å; V15-G17 PolarHBondContact O-N 3.04Å; G17-S19 PolarHBondContact O-N 2.8Å
18	E	61.3	Low	75.4	Confident	187 Å²	187	112.3 Å²	112.3	87%	0.874	62%	0.617	S	S	*	*			trans	-41.4	112.4	169.6	-110.1	157.7	159.5	0	0	109	N20	E18-N20 PolarHBondContact O-N 3.35Å
19	S	68.7	Low	77.6	Confident	67 Å²	67	109.6 Å²	109.6	47%	0.469	61%	0.612	S	S	.	*			trans	-78.2	112.1	-179.2	37.8	0	0	0	0	108.3	G17 I21 E46	G17-S19 PolarHBondContact O-N 2.8Å; S19-I21 PolarHBondContact O-N 3.31Å; S19-E46 PolarHBondContact OG-OE1 2.94Å
20	N	86.4	Confident	79.6	Confident	94 Å²	94	103.2 Å²	103.2	50%	0.503	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-50.7	128.5	171.4	-71.3	-41	0	0	0	110.9	E18 V22 P118	E18-N20 PolarHBondContact O-N 3.35Å; N20-V22 PolarHBondContact O-N 3.18Å; N20-P118 WeakPolarHBondContact OD1-CA 3.27Å
21	I	92.7	Very high	81.1	Confident	17 Å²	17	102.5 Å²	102.5	9%	0.087	60%	0.6	C	S	.	*	P	Polyproline II helix	trans	-65	116.8	175.2	-57	-177.5	0	0	0	109.4	S19 L23 A44 E46 V48 Q113 E116	S19-I21 PolarHBondContact O-N 3.31Å; I21-L23 HydrophobicContact CG2-CD2 4.35Å; I21-A44 HydrophobicContact CG2-CB 3.9Å; I21-E46 HydrophobicContact CG1-CB 4.33Å; I21-V48 HydrophobicContact CD1-CG1 4.01Å; I21-V48 HydrophobicContact CG2-CG1 4.06Å; I21-Q113 HydrophobicContact CB-CG 4.18Å; I21-Q113 HydrophobicContact CG2-CG 3.97Å; I21-E116 HydrophobicContact CD1-CB 4.01Å; I21-E116 HydrophobicContact CD1-CG 4.05Å; I21-E116 HydrophobicContact CG1-CB 4.44Å
22	V	95.4	Very high	82.7	Confident	88 Å²	88	97.9 Å²	97.9	53%	0.533	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-92.6	131	179.1	-178.9	0	0	0	0	110	N20 A44 S45	N20-V22 PolarHBondContact O-N 3.18Å; V22-A44 CarbonylContact O-C 3.52Å; V22-A44 WeakPolarHBondContact O-CA 3.38Å; V22-S45 PolarHBondContact N-OG 2.72Å; V22-S45 PolarHBondContact O-N 2.88Å
23	L	97.1	Very high	84.3	Confident	51 Å²	51	94.6 Å²	94.6	27%	0.267	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.7	129	175.2	-57.7	-176.4	0	0	0	111.2	I21 R43 A44 M56 C111 Q113	I21-L23 HydrophobicContact CG2-CD2 4.35Å; L23-R43 CarbonylContact C-O 3.59Å; L23-R43 WeakPolarHBondContact CA-O 3.35Å; L23-A44 HydrophobicContact CD2-CB 3.67Å; L23-M56 HydrophobicContact CD1-CE 4.39Å; L23-M56 HydrophobicContact CD2-CE 3.78Å; L23-C111 WeakPolarHBondContact CD1-O 3.42Å; L23-Q113 HydrophobicContact CD1-CB 4.4Å; L23-Q113 HydrophobicContact CD1-CG 4.31Å; L23-Q113 HydrophobicContact CD2-CB 4.33Å; L23-Q113 HydrophobicContact CD2-CG 4.12Å; L23-Q113 HydrophobicContact CG-CG 4.42Å
24	T	98.3	Very high	86.1	Confident	88 Å²	88	93.2 Å²	93.2	54%	0.54	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.3	113.8	176	-56.5	0	0	0	0	109.6	C42 R43	T24-C42 WeakPolarHBondContact O-CA 3.4Å; T24-R43 PolarHBondContact N-O 2.79Å; T24-R43 PolarHBondContact O-N 2.96Å
25	Q	98.6	Very high	87.9	Confident	64 Å²	64	84 Å²	84	30%	0.299	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	144.6	176.3	-74.7	-175.7	-118.7	0	0	112.3	S41 C42 Y109 C111	Q25-S41 CarbonylContact C-O 3.54Å; Q25-S41 VanDerWaalsContact CA-O 3.29Å; Q25-S41 WeakPolarHBondContact CA-O 3.27Å; Q25-C42 HydrophobicContact CG-CB 4.2Å; Q25-Y109 PolarHBondContact NE2-O 3.08Å; Q25-C111 HydrophobicContact CG-CB 4.46Å; Q25-C111 WeakPolarHBondContact CG-SG 3.46Å
26	S	98.4	Very high	89.8	Confident	58 Å²	58	84.4 Å²	84.4	41%	0.406	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	143	173.7	66.9	0	0	0	0	112.2	S41	S26-S41 PolarHBondContact N-O 3.32Å; S26-S41 PolarHBondContact O-N 2.73Å
27	P	98.4	Very high	91.9	Very high	63 Å²	63	86.7 Å²	86.7	41%	0.409	53%	0.528	S	S	.	.			cis	-75.4	165.9	-8	35.1	-37.9	0	0	0	111.9	S29 L30	P27-S29 VanDerWaalsContact C-N 3.29Å; P27-S29 WeakPolarHBondContact CB-O 3.13Å; P27-S29 WeakPolarHBondContact CG-O 3.46Å; P27-S29 PolarHBondContact O-N 2.92Å; P27-L30 HydrophobicContact CG-CB 3.86Å; P27-L30 HydrophobicContact CG-CD1 4.23Å; P27-L30 HydrophobicContact CG-CG 4.45Å
28	A	97.3	Very high	93.9	Very high	112 Å²	112	84.3 Å²	84.3	93%	0.926	50%	0.504	S	S	*	.	S	Bend	trans	-68.7	-28.1	175.2	0	0	0	0	0	112.8
29	S	97.4	Very high	95.7	Very high	106 Å²	106	78.3 Å²	78.3	74%	0.741	48%	0.479	S	S	*	.	S	Bend	trans	-144.4	145.2	171.1	62	0	0	0	0	109.7	P27	P27-S29 VanDerWaalsContact C-N 3.29Å; P27-S29 WeakPolarHBondContact CB-O 3.13Å; P27-S29 WeakPolarHBondContact CG-O 3.46Å; P27-S29 PolarHBondContact O-N 2.92Å
30	L	96.9	Very high	97.1	Very high	87 Å²	87	76 Å²	76	46%	0.455	46%	0.462	S	S	.	.			trans	-137.6	124.6	-176.8	-179	58.2	0	0	0	109.2	P27 V32 A38 I40	P27-L30 HydrophobicContact CG-CB 3.86Å; P27-L30 HydrophobicContact CG-CD1 4.23Å; P27-L30 HydrophobicContact CG-CG 4.45Å; L30-V32 HydrophobicContact CD1-CG2 3.72Å; L30-V32 HydrophobicContact CD2-CG2 3.99Å; L30-V32 HydrophobicContact CG-CG2 3.63Å; L30-A38 HydrophobicContact CD2-CB 3.86Å; L30-I40 HydrophobicContact CD2-CG1 4.41Å
31	A	97.6	Very high	97.7	Very high	103 Å²	103	73.7 Å²	73.7	85%	0.851	45%	0.453	S	S	*	.			trans	-111.8	119.5	172.4	0	0	0	0	0	108.9
32	V	97.2	Very high	98	Very high	52 Å²	52	72.9 Å²	72.9	32%	0.315	45%	0.449	S	S	.	.			trans	-133.8	138.3	-175.1	174.1	0	0	0	0	108.8	L30 Q36 A38 V101	L30-V32 HydrophobicContact CD1-CG2 3.72Å; L30-V32 HydrophobicContact CD2-CG2 3.99Å; L30-V32 HydrophobicContact CG-CG2 3.63Å; V32-Q36 HydrophobicContact CG1-CB 3.69Å; V32-A38 HydrophobicContact CB-CB 4.49Å; V32-A38 HydrophobicContact CG1-CB 4.42Å; V32-A38 HydrophobicContact CG2-CB 4.07Å; V32-V101 HydrophobicContact CG1-CB 4.42Å; V32-V101 HydrophobicContact CG1-CG2 4Å
33	S	98.1	Very high	98.1	Very high	90 Å²	90	75.8 Å²	75.8	63%	0.629	45%	0.45	S	S	*	.			trans	-71.3	146.8	176.1	-56.7	0	0	0	0	111.2	G35 Q36	S33-G35 PolarHBondContact O-N 2.93Å; S33-Q36 VanDerWaalsContact O-CB 3.29Å; S33-Q36 WeakPolarHBondContact O-CB 3.4Å; S33-Q36 PolarHBondContact O-N 3.07Å; S33-Q36 VanDerWaalsContact O-N 3.09Å
34	L	98.2	Very high	98.1	Very high	116 Å²	116	73.6 Å²	73.6	61%	0.607	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	140.5	173.9	-59.6	-178.9	0	0	0	110.9	Q36 V101 A103	L34-Q36 PolarHBondContact O-N 3.21Å; L34-V101 HydrophobicContact CD2-CG1 4.41Å; L34-A103 HydrophobicContact CD2-CB 4.33Å
35	G	98.5	Very high	98.1	Very high	44 Å²	44	72.6 Å²	72.6	45%	0.454	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	-8.4	-176.9	0	0	0	0	0	114.9	S33 V101	S33-G35 PolarHBondContact O-N 2.93Å; G35-V101 PolarHBondContact N-O 2.93Å
36	Q	98.5	Very high	97.9	Very high	118 Å²	118	73.2 Å²	73.2	55%	0.551	44%	0.439	S	S	*	.	S	Bend	trans	-92.9	164.5	176.5	-60.6	-61	-71.5	0	0	111.4	V32 S33 L34 V101	V32-Q36 HydrophobicContact CG1-CB 3.69Å; S33-Q36 VanDerWaalsContact O-CB 3.29Å; S33-Q36 WeakPolarHBondContact O-CB 3.4Å; S33-Q36 PolarHBondContact O-N 3.07Å; S33-Q36 VanDerWaalsContact O-N 3.09Å; L34-Q36 PolarHBondContact O-N 3.21Å; Q36-V101 WeakPolarHBondContact O-CB 3.23Å; Q36-V101 VanDerWaalsContact O-CG2 3.27Å; Q36-V101 WeakPolarHBondContact O-CG2 3.28Å; Q36-V101 PolarHBondContact O-N 3.42Å
37	R	98.5	Very high	97.8	Very high	159 Å²	159	73 Å²	73	60%	0.6	44%	0.437	S	S	*	.			trans	-80.6	134.3	174.7	179.7	179.8	-62.7	168.1	0.6	111	T97 I98 D99	R37-T97 HydrophobicContact CG-CG2 3.81Å; R37-I98 WeakPolarHBondContact CA-O 3.5Å; R37-D99 HydrophobicContact CB-CB 4.33Å; R37-D99 HydrophobicContact CG-CB 4.18Å; R37-D99 IonicContact CZ-OD2 3.24Å; R37-D99 VanDerWaalsContact CZ-OD2 3.24Å; R37-D99 IonicContact NE-OD2 2.82Å; R37-D99 PolarHBondContact NE-OD2 2.83Å; R37-D99 IonicContact NH2-OD2 2.78Å; R37-D99 PolarHBondContact NH2-OD2 3.47Å
38	A	98.5	Very high	97.7	Very high	7 Å²	7	70 Å²	70	6%	0.058	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	142.1	165.2	0	0	0	0	0	110.6	L30 V32 T97 I98 V101	L30-A38 HydrophobicContact CD2-CB 3.86Å; V32-A38 HydrophobicContact CB-CB 4.49Å; V32-A38 HydrophobicContact CG1-CB 4.42Å; V32-A38 HydrophobicContact CG2-CB 4.07Å; A38-T97 WeakPolarHBondContact O-CA 3.33Å; A38-I98 HydrophobicContact CB-CB 4.36Å; A38-I98 PolarHBondContact N-O 3.21Å; A38-I98 PolarHBondContact O-N 3.07Å; A38-V101 HydrophobicContact CB-CG2 3.62Å
39	T	98.6	Very high	97.6	Very high	60 Å²	60	67 Å²	67	37%	0.368	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	130.8	174.2	-58.4	0	0	0	0	109.9	T95 L96	T39-T95 HydrophobicContact CG2-CG2 4.39Å; T39-L96 CarbonylContact C-O 3.59Å; T39-L96 WeakPolarHBondContact CA-O 3.3Å
40	I	98.7	Very high	97.5	Very high	19 Å²	19	63.7 Å²	63.7	10%	0.097	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.4	175.7	-55.4	175.6	0	0	0	107.3	L30 W58 T95 L96 Y109	L30-I40 HydrophobicContact CD2-CG1 4.41Å; I40-W58 HydrophobicContact CB-CH2 4.34Å; I40-W58 HydrophobicContact CB-CZ3 4.3Å; I40-W58 HydrophobicContact CG2-CH2 4.03Å; I40-W58 HydrophobicContact CG2-CZ3 3.88Å; I40-T95 CarbonylContact O-C 3.59Å; I40-T95 VanDerWaalsContact O-CA 3.25Å; I40-T95 WeakPolarHBondContact O-CA 2.99Å; I40-L96 HydrophobicContact CB-CB 4.48Å; I40-L96 PolarHBondContact N-O 3.48Å; I40-L96 PolarHBondContact O-N 3.34Å; I40-Y109 HydrophobicContact CD1-CD2 3.82Å; I40-Y109 HydrophobicContact CD1-CG 3.76Å
41	S	98.7	Very high	97.4	Very high	45 Å²	45	69.8 Å²	69.8	32%	0.315	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	147.8	175.9	-53.5	0	0	0	0	110.7	Q25 S26 F94	Q25-S41 CarbonylContact C-O 3.54Å; Q25-S41 VanDerWaalsContact CA-O 3.29Å; Q25-S41 WeakPolarHBondContact CA-O 3.27Å; S26-S41 PolarHBondContact N-O 3.32Å; S26-S41 PolarHBondContact O-N 2.73Å; S41-F94 CarbonylContact C-O 3.58Å; S41-F94 WeakPolarHBondContact CA-O 3Å
42	C	98.6	Very high	97.2	Very high	1 Å²	1	69 Å²	69	1%	0.007	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124.4	169.6	177.2	0	0	0	0	108.9	T24 Q25 W58 F94 C111	T24-C42 WeakPolarHBondContact O-CA 3.4Å; Q25-C42 HydrophobicContact CG-CB 4.2Å; C42-W58 HydrophobicContact CB-CH2 3.59Å; C42-W58 HydrophobicContact CB-CZ2 3.8Å; C42-W58 HydrophobicContact CB-CZ3 4.44Å; C42-F94 HydrophobicContact CB-CB 4.39Å; C42-F94 PolarHBondContact N-O 3.15Å; C42-F94 PolarHBondContact O-N 2.93Å; C42-C111 HydrophobicContact CB-CB 3.43Å; C42-C111 VanDerWaalsContact CB-CB 3.43Å; C42-C111 WeakPolarHBondContact CB-SG 3.35Å; C42-C111 WeakPolarHBondContact SG-CB 3.4Å; C42-C111 CovalentContact SG-SG 2.02Å; C42-C111 PolarHBondContact SG-SG 3.29Å
43	R	98.5	Very high	97.2	Very high	149 Å²	149	69.9 Å²	69.9	56%	0.562	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.1	175.9	176.4	173.2	-81.2	-179.2	-8.2	110.7	L23 T24 T92 D93	L23-R43 CarbonylContact C-O 3.59Å; L23-R43 WeakPolarHBondContact CA-O 3.35Å; T24-R43 PolarHBondContact N-O 2.79Å; T24-R43 PolarHBondContact O-N 2.96Å; R43-T92 CarbonylContact C-O 3.57Å; R43-T92 WeakPolarHBondContact CA-O 3.35Å; R43-D93 IonicContact CZ-OD1 3.25Å; R43-D93 VanDerWaalsContact CZ-OD1 3.25Å; R43-D93 IonicContact NE-OD1 2.84Å; R43-D93 PolarHBondContact NE-OD1 3.3Å; R43-D93 IonicContact NH2-OD1 2.78Å; R43-D93 PolarHBondContact NH2-OD1 3.37Å; R43-D93 IonicContact NH2-OD2 3.92Å
44	A	97.5	Very high	97.2	Very high	4 Å²	4	66.4 Å²	66.4	3%	0.033	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	146.7	169.8	0	0	0	0	0	110.9	I21 V22 L23 E46 V48 T92	I21-A44 HydrophobicContact CG2-CB 3.9Å; V22-A44 CarbonylContact O-C 3.52Å; V22-A44 WeakPolarHBondContact O-CA 3.38Å; L23-A44 HydrophobicContact CD2-CB 3.67Å; A44-E46 VanDerWaalsContact CB-O 3.23Å; A44-E46 WeakPolarHBondContact CB-O 3.44Å; A44-E46 PolarHBondContact O-N 2.88Å; A44-V48 HydrophobicContact CB-CG1 3.88Å; A44-T92 PolarHBondContact N-O 3.45Å
45	S	96.5	Very high	97.1	Very high	67 Å²	67	63 Å²	63	47%	0.469	34%	0.342	S	S	.	.	S	Bend	trans	-67	-24.7	175.2	56.8	0	0	0	0	112.9	V22	V22-S45 PolarHBondContact N-OG 2.72Å; V22-S45 PolarHBondContact O-N 2.88Å
46	E	95.2	Very high	97.1	Very high	77 Å²	77	60.9 Å²	60.9	36%	0.36	32%	0.32	S	S	.	.	S	Bend	trans	-139.4	168	-178	-59.3	-171.1	-139.5	0	0	110	S19 I21 A44 V48	S19-E46 PolarHBondContact OG-OE1 2.94Å; I21-E46 HydrophobicContact CG1-CB 4.33Å; A44-E46 VanDerWaalsContact CB-O 3.23Å; A44-E46 WeakPolarHBondContact CB-O 3.44Å; A44-E46 PolarHBondContact O-N 2.88Å; E46-V48 PolarHBondContact O-N 2.66Å
47	S	96.4	Very high	97.1	Very high	54 Å²	54	56 Å²	56	38%	0.378	30%	0.298	S	S	.	.			trans	-67.3	126.3	179.6	178.8	0	0	0	0	110.5	D49 R91	S47-D49 VanDerWaalsContact C-N 3.34Å; S47-D49 PolarHBondContact OG-N 3.3Å; S47-R91 WeakPolarHBondContact CA-O 3.21Å
48	V	96	Very high	97.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.269	C	S	.	.			trans	-99	14.7	171.1	-54.6	0	0	0	0	112.1	I21 A44 E46 F55 M56 R91 F94 Q113 N115	I21-V48 HydrophobicContact CD1-CG1 4.01Å; I21-V48 HydrophobicContact CG2-CG1 4.06Å; A44-V48 HydrophobicContact CB-CG1 3.88Å; E46-V48 PolarHBondContact O-N 2.66Å; V48-F55 WeakPolarHBondContact O-CB 3.42Å; V48-F55 PolarHBondContact O-N 3.35Å; V48-M56 HydrophobicContact CG2-CB 4.37Å; V48-M56 HydrophobicContact CG2-CE 4.21Å; V48-R91 WeakPolarHBondContact CG2-O 3.2Å; V48-R91 PolarHBondContact N-O 3.04Å; V48-F94 HydrophobicContact CG2-CE1 4.35Å; V48-F94 HydrophobicContact CG2-CE2 3.46Å; V48-F94 VanDerWaalsContact CG2-CE2 3.46Å; V48-F94 HydrophobicContact CG2-CZ 3.28Å; V48-Q113 HydrophobicContact CB-CB 4.19Å; V48-Q113 HydrophobicContact CG1-CB 3.58Å; V48-Q113 HydrophobicContact CG1-CG 3.94Å; V48-N115 HydrophobicContact CB-CB 4.03Å
49	D	96.5	Very high	97.1	Very high	50 Å²	50	51 Å²	51	27%	0.267	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	131.5	173.3	-69.3	-1.1	0	0	0	110.9	S47 N53 S54 R91	S47-D49 VanDerWaalsContact C-N 3.34Å; S47-D49 PolarHBondContact OG-N 3.3Å; D49-N53 CarbonylContact C-O 3.57Å; D49-N53 VanDerWaalsContact CA-O 3.23Å; D49-N53 WeakPolarHBondContact CA-O 3.33Å; D49-S54 WeakPolarHBondContact OD1-CA 3.46Å; D49-S54 WeakPolarHBondContact OD1-CB 3.33Å; D49-S54 PolarHBondContact OD1-OG 2.84Å; D49-R91 PolarHBondContact OD1-N 2.88Å; D49-R91 WeakPolarHBondContact OD2-CG 3.48Å; D49-R91 PolarHBondContact OD2-N 2.74Å
50	S	95.2	Very high	97.1	Very high	35 Å²	35	49.2 Å²	49.2	25%	0.245	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	146.6	172.2	176.6	0	0	0	0	111	G52 N53 F55 N115	S50-G52 PolarHBondContact O-N 3.09Å; S50-N53 PolarHBondContact N-O 2.9Å; S50-N53 PolarHBondContact O-N 2.8Å; S50-N53 VanDerWaalsContact O-O 3.09Å; S50-F55 VanDerWaalsContact O-CE2 3.28Å; S50-F55 WeakPolarHBondContact O-CE2 3.33Å; S50-N115 WeakPolarHBondContact CB-OD1 3.42Å
51	Y	94	Very high	97.1	Very high	216 Å²	216	51.1 Å²	51.1	85%	0.847	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	35.7	-177	-55.7	-75.4	0	0	0	115.2	N53	Y51-N53 VanDerWaalsContact C-N 3.28Å; Y51-N53 PolarHBondContact O-N 3.31Å; Y51-N53 PolarHBondContact O-ND2 3.41Å
52	G	94.4	Very high	97.1	Very high	85 Å²	85	51.5 Å²	51.5	88%	0.876	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	7	-179.9	0	0	0	0	0	115.2	S50	S50-G52 PolarHBondContact O-N 3.09Å
53	N	96.4	Very high	97	Very high	71 Å²	71	57 Å²	57	38%	0.38	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	152.7	175.1	-63.5	-73.6	0	0	0	110.5	D49 S50 Y51 F55 L73	D49-N53 CarbonylContact C-O 3.57Å; D49-N53 VanDerWaalsContact CA-O 3.23Å; D49-N53 WeakPolarHBondContact CA-O 3.33Å; S50-N53 PolarHBondContact N-O 2.9Å; S50-N53 PolarHBondContact O-N 2.8Å; S50-N53 VanDerWaalsContact O-O 3.09Å; Y51-N53 VanDerWaalsContact C-N 3.28Å; Y51-N53 PolarHBondContact O-N 3.31Å; Y51-N53 PolarHBondContact O-ND2 3.41Å; N53-F55 HydrophobicContact CB-CE2 4.21Å; N53-F55 HydrophobicContact CB-CZ 4.27Å; N53-L73 HydrophobicContact CB-CD2 4.24Å
54	S	97.6	Very high	97	Very high	18 Å²	18	54.3 Å²	54.3	13%	0.126	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	109.9	171	-62.7	0	0	0	0	109.5	D49 M56 L73 A74	D49-S54 WeakPolarHBondContact OD1-CA 3.46Å; D49-S54 WeakPolarHBondContact OD1-CB 3.33Å; D49-S54 PolarHBondContact OD1-OG 2.84Å; S54-M56 PolarHBondContact O-N 3.24Å; S54-L73 CarbonylContact O-C 3.45Å; S54-L73 WeakPolarHBondContact O-CA 3.47Å; S54-A74 PolarHBondContact O-N 2.89Å
55	F	97.1	Very high	97	Very high	43 Å²	43	58.1 Å²	58.1	19%	0.189	34%	0.341	C	S	.	.			trans	-79.9	47	-173.5	-72.1	-79.3	0	0	0	113.1	V48 S50 N53 L73 Q113 N114 N115	V48-F55 WeakPolarHBondContact O-CB 3.42Å; V48-F55 PolarHBondContact O-N 3.35Å; S50-F55 VanDerWaalsContact O-CE2 3.28Å; S50-F55 WeakPolarHBondContact O-CE2 3.33Å; N53-F55 HydrophobicContact CB-CE2 4.21Å; N53-F55 HydrophobicContact CB-CZ 4.27Å; F55-L73 HydrophobicContact CD1-CD2 3.83Å; F55-L73 HydrophobicContact CE1-CD2 4.04Å; F55-Q113 WeakPolarHBondContact O-CA 3.33Å; F55-N114 VanDerWaalsContact CB-OD1 3.31Å; F55-N114 WeakPolarHBondContact CB-OD1 3.39Å; F55-N114 WeakPolarHBondContact CD1-OD1 3.43Å; F55-N114 PolarHBondContact O-N 3.15Å; F55-N114 VanDerWaalsContact O-N 3.15Å; F55-N114 PolarHBondContact O-OD1 3.24Å; F55-N115 HydrophobicContact CB-CB 3.96Å; F55-N115 HydrophobicContact CD2-CB 4.33Å; F55-N115 HydrophobicContact CG-CB 4.42Å
56	M	98.2	Very high	97	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	136.3	175	-175.6	57.3	66.2	0	0	110.6	L23 V48 S54 L73 A74 F94 C111 Q112 Q113	L23-M56 HydrophobicContact CD1-CE 4.39Å; L23-M56 HydrophobicContact CD2-CE 3.78Å; V48-M56 HydrophobicContact CG2-CB 4.37Å; V48-M56 HydrophobicContact CG2-CE 4.21Å; S54-M56 PolarHBondContact O-N 3.24Å; M56-L73 PolarHBondContact O-N 2.86Å; M56-A74 HydrophobicContact CB-CB 4.27Å; M56-A74 WeakPolarHBondContact O-CA 3.47Å; M56-A74 PolarHBondContact O-N 3.41Å; M56-F94 HydrophobicContact CB-CD1 3.64Å; M56-F94 HydrophobicContact CB-CD2 4.2Å; M56-F94 HydrophobicContact CB-CE1 3.66Å; M56-F94 HydrophobicContact CB-CE2 4.22Å; M56-F94 HydrophobicContact CB-CG 3.92Å; M56-F94 HydrophobicContact CB-CZ 3.96Å; M56-F94 HydrophobicContact CE-CD2 3.55Å; M56-F94 HydrophobicContact CE-CE2 3.76Å; M56-F94 HydrophobicContact CE-CG 4.2Å; M56-F94 HydrophobicContact CG-CB 3.98Å; M56-F94 HydrophobicContact CG-CD1 3.79Å; M56-F94 HydrophobicContact CG-CD2 3.95Å; M56-F94 HydrophobicContact CG-CE1 4.29Å; M56-F94 HydrophobicContact CG-CE2 4.44Å; M56-F94 HydrophobicContact CG-CG 3.6Å; M56-C111 HydrophobicContact SD-CB 3.67Å; M56-Q112 CarbonylContact C-O 3.57Å; M56-Q112 VanDerWaalsContact SD-O 3.35Å; M56-Q113 HydrophobicContact CE-CB 4.17Å
57	H	98.4	Very high	97.2	Very high	16 Å²	16	59 Å²	59	7%	0.074	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	150.8	179.1	-51.3	-71.5	0	0	0	110.6	Y59 L69 I71 Y72 L73 C111 Q112 N114	H57-Y59 HydrophobicContact CB-CD2 4.45Å; H57-Y59 HydrophobicContact CB-CE2 3.72Å; H57-L69 HydrophobicContact CB-CD1 4.08Å; H57-I71 CarbonylContact C-O 3.6Å; H57-I71 VanDerWaalsContact CA-O 3.27Å; H57-I71 WeakPolarHBondContact CA-O 3.35Å; H57-Y72 VanDerWaalsContact ND1-CA 3.27Å; H57-Y72 WeakPolarHBondContact ND1-CA 3.35Å; H57-Y72 WeakPolarHBondContact ND1-CB 3.25Å; H57-L73 PolarHBondContact ND1-N 3.39Å; H57-C111 CarbonylContact O-C 3.54Å; H57-C111 VanDerWaalsContact O-CA 3.27Å; H57-C111 WeakPolarHBondContact O-CA 3.48Å; H57-Q112 PolarHBondContact CD2-OE1 3.22Å; H57-Q112 PolarHBondContact N-O 2.82Å; H57-Q112 PolarHBondContact O-N 2.85Å; H57-N114 PolarHBondContact NE2-OD1 3.12Å
58	W	98.7	Very high	97.2	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.5	176.6	-69.7	98	0	0	0	111	I40 C42 L70 I71 F94 L96 Y110 C111	I40-W58 HydrophobicContact CB-CH2 4.34Å; I40-W58 HydrophobicContact CB-CZ3 4.3Å; I40-W58 HydrophobicContact CG2-CH2 4.03Å; I40-W58 HydrophobicContact CG2-CZ3 3.88Å; C42-W58 HydrophobicContact CB-CH2 3.59Å; C42-W58 HydrophobicContact CB-CZ2 3.8Å; C42-W58 HydrophobicContact CB-CZ3 4.44Å; W58-L70 WeakPolarHBondContact O-CB 3.45Å; W58-L70 PolarHBondContact O-N 2.9Å; W58-I71 HydrophobicContact CB-CB 4.17Å; W58-I71 PolarHBondContact N-O 2.9Å; W58-I71 PolarHBondContact O-N 2.87Å; W58-F94 HydrophobicContact CZ2-CB 4.33Å; W58-L96 HydrophobicContact CB-CD1 4.31Å; W58-L96 HydrophobicContact CB-CD2 4.4Å; W58-L96 HydrophobicContact CD2-CB 3.55Å; W58-L96 HydrophobicContact CD2-CD1 4.48Å; W58-L96 HydrophobicContact CD2-CD2 4.13Å; W58-L96 HydrophobicContact CD2-CG 4.27Å; W58-L96 HydrophobicContact CE3-CB 3.69Å; W58-L96 HydrophobicContact CE3-CD2 3.8Å; W58-L96 HydrophobicContact CE3-CG 4.33Å; W58-L96 HydrophobicContact CG-CB 4.11Å; W58-L96 HydrophobicContact CG-CD1 4.19Å; W58-L96 HydrophobicContact CG-CD2 4.4Å; W58-L96 HydrophobicContact CG-CG 4.47Å; W58-L96 HydrophobicContact CH2-CB 3.89Å; W58-L96 HydrophobicContact CZ2-CB 3.79Å; W58-L96 HydrophobicContact CZ3-CB 3.85Å; W58-L96 HydrophobicContact CZ3-CD2 4.35Å; W58-Y110 WeakPolarHBondContact CA-O 3.48Å; W58-C111 HydrophobicContact CD2-CB 4.32Å; W58-C111 HydrophobicContact CE3-CB 4.02Å; W58-C111 HydrophobicContact CH2-CB 4.1Å; W58-C111 HydrophobicContact CZ2-CB 4.35Å; W58-C111 HydrophobicContact CZ3-CB 3.92Å
59	Y	98.7	Very high	97.4	Very high	62 Å²	62	64.2 Å²	64.2	24%	0.243	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146.5	178.8	-65.1	-98.3	0	0	0	111.2	H57 P67 K68 L69 Y109 Y110 Q112	H57-Y59 HydrophobicContact CB-CD2 4.45Å; H57-Y59 HydrophobicContact CB-CE2 3.72Å; Y59-P67 HydrophobicContact CD1-CB 4.28Å; Y59-K68 CarbonylContact C-O 3.52Å; Y59-K68 WeakPolarHBondContact CA-O 3.09Å; Y59-L69 HydrophobicContact CD1-CB 4.19Å; Y59-L69 HydrophobicContact CD1-CD1 4.41Å; Y59-L69 HydrophobicContact CE1-CB 3.9Å; Y59-L69 HydrophobicContact CE1-CD1 3.96Å; Y59-L69 HydrophobicContact CE2-CD1 4.18Å; Y59-Y109 VanDerWaalsContact O-CA 3.3Å; Y59-Y109 WeakPolarHBondContact O-CA 3.21Å; Y59-Y110 PolarHBondContact N-O 2.84Å; Y59-Y110 PolarHBondContact O-N 3.22Å; Y59-Q112 HydrophobicContact CD2-CB 4.4Å; Y59-Q112 HydrophobicContact CE2-CB 4.01Å; Y59-Q112 PolarHBondContact OH-OE1 3.22Å
60	Q	98.6	Very high	97.5	Very high	21 Å²	21	62.2 Å²	62.2	10%	0.098	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.4	169.1	-175	-172.1	72.6	0	0	109.8	P67 K68 L70 A107 Y109	Q60-P67 CarbonylContact O-C 3.17Å; Q60-P67 WeakPolarHBondContact O-CA 3.34Å; Q60-K68 PolarHBondContact N-O 3.43Å; Q60-K68 PolarHBondContact O-N 3.37Å; Q60-L70 HydrophobicContact CB-CD1 3.78Å; Q60-L70 HydrophobicContact CB-CD2 4Å; Q60-L70 HydrophobicContact CB-CG 3.87Å; Q60-A107 HydrophobicContact CG-CB 3.38Å; Q60-Y109 HydrophobicContact CB-CD1 4.28Å; Q60-Y109 HydrophobicContact CB-CE1 4.01Å; Q60-Y109 HydrophobicContact CG-CD1 4.42Å; Q60-Y109 HydrophobicContact CG-CE1 3.85Å; Q60-Y109 PolarHBondContact NE2-OH 3.19Å
61	Q	98.5	Very high	97.7	Very high	59 Å²	59	60.6 Å²	60.6	28%	0.276	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	110.3	171.9	-168.6	179.1	15	0	0	110.7	Q65 P67 A107 T108 Y110	Q61-Q65 VanDerWaalsContact CG-O 3.27Å; Q61-Q65 WeakPolarHBondContact CG-O 3.24Å; Q61-Q65 PolarHBondContact NE2-O 3.48Å; Q61-P67 HydrophobicContact CB-CB 4.43Å; Q61-P67 HydrophobicContact CB-CG 4.29Å; Q61-P67 HydrophobicContact CG-CG 4.16Å; Q61-A107 WeakPolarHBondContact O-CA 3.22Å; Q61-A107 WeakPolarHBondContact O-CB 3.41Å; Q61-T108 PolarHBondContact N-O 2.95Å; Q61-T108 PolarHBondContact O-N 2.88Å; Q61-Y110 HydrophobicContact CB-CD2 4.38Å; Q61-Y110 HydrophobicContact CB-CE2 3.74Å; Q61-Y110 VanDerWaalsContact OE1-CE2 3.29Å; Q61-Y110 PolarHBondContact OE1-OH 2.84Å
62	K	97.7	Very high	97.9	Very high	53 Å²	53	54.6 Å²	54.6	23%	0.23	32%	0.324	C	S	.	.			trans	-78.1	152.6	170.8	-66.7	-172.5	176.3	-164.6	0	110.4	G64 Q65 D104 A107	K62-G64 PolarHBondContact O-N 2.84Å; K62-Q65 HydrophobicContact CB-CB 4.24Å; K62-Q65 HydrophobicContact CB-CG 4.28Å; K62-Q65 PolarHBondContact O-N 2.95Å; K62-D104 WeakPolarHBondContact CE-O 3.42Å; K62-D104 PolarHBondContact NZ-O 2.78Å; K62-A107 HydrophobicContact CG-CB 4.25Å
63	P	97.3	Very high	98	Very high	118 Å²	118	52.4 Å²	52.4	77%	0.766	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	126.2	176.7	-27.4	35.3	0	0	0	112.2	Q65	P63-Q65 PolarHBondContact O-N 2.85Å
64	G	97.6	Very high	98.1	Very high	92 Å²	92	49.1 Å²	49.1	95%	0.948	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	5.9	179.4	0	0	0	0	0	115.8	K62	K62-G64 PolarHBondContact O-N 2.84Å
65	Q	97.9	Very high	98.2	Very high	83 Å²	83	51.8 Å²	51.8	39%	0.388	29%	0.294	S	S	.	.	S	Bend	trans	-111.8	154.7	177.8	-62.4	-172.4	14.7	0	0	111.1	Q61 K62 P63	Q61-Q65 VanDerWaalsContact CG-O 3.27Å; Q61-Q65 WeakPolarHBondContact CG-O 3.24Å; Q61-Q65 PolarHBondContact NE2-O 3.48Å; K62-Q65 HydrophobicContact CB-CB 4.24Å; K62-Q65 HydrophobicContact CB-CG 4.28Å; K62-Q65 PolarHBondContact O-N 2.95Å; P63-Q65 PolarHBondContact O-N 2.85Å
66	P	97.4	Very high	98.2	Very high	94 Å²	94	52.9 Å²	52.9	61%	0.61	30%	0.301	S	S	*	.			trans	-66.4	154	169.3	29.4	-35.1	0	0	0	110.8
67	P	97.9	Very high	98.2	Very high	68 Å²	68	55.9 Å²	55.9	44%	0.442	32%	0.317	S	S	.	.			trans	-56.9	139.3	169.7	-22.6	33.3	0	0	0	111.7	Y59 Q60 Q61	Y59-P67 HydrophobicContact CD1-CB 4.28Å; Q60-P67 CarbonylContact O-C 3.17Å; Q60-P67 WeakPolarHBondContact O-CA 3.34Å; Q61-P67 HydrophobicContact CB-CB 4.43Å; Q61-P67 HydrophobicContact CB-CG 4.29Å; Q61-P67 HydrophobicContact CG-CG 4.16Å
68	K	98.3	Very high	98.3	Very high	116 Å²	116	58.5 Å²	58.5	50%	0.504	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	136.9	174.7	-65.9	-178.7	-179.8	175.8	0	109.7	Y59 Q60	Y59-K68 CarbonylContact C-O 3.52Å; Y59-K68 WeakPolarHBondContact CA-O 3.09Å; Q60-K68 PolarHBondContact N-O 3.43Å; Q60-K68 PolarHBondContact O-N 3.37Å
69	L	98.6	Very high	98.2	Very high	48 Å²	48	63.9 Å²	63.9	25%	0.251	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	131.8	175.5	-177.4	60.4	0	0	0	109.9	H57 Y59 I71 E78	H57-L69 HydrophobicContact CB-CD1 4.08Å; Y59-L69 HydrophobicContact CD1-CB 4.19Å; Y59-L69 HydrophobicContact CD1-CD1 4.41Å; Y59-L69 HydrophobicContact CE1-CB 3.9Å; Y59-L69 HydrophobicContact CE1-CD1 3.96Å; Y59-L69 HydrophobicContact CE2-CD1 4.18Å; L69-I71 WeakPolarHBondContact CD1-O 3.32Å; L69-E78 HydrophobicContact CD2-CG 4.44Å; L69-E78 VanDerWaalsContact CD2-OE2 3.28Å; L69-E78 WeakPolarHBondContact CD2-OE2 3.27Å; L69-E78 HydrophobicContact CG-CB 4.29Å; L69-E78 HydrophobicContact CG-CG 4.38Å
70	L	98.7	Very high	98.2	Very high	8 Å²	8	64.6 Å²	64.6	4%	0.042	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-50.9	173.4	-66.8	-177.8	0	0	0	111.4	W58 Q60 E78 V81 F85 L96 Y109	W58-L70 WeakPolarHBondContact O-CB 3.45Å; W58-L70 PolarHBondContact O-N 2.9Å; Q60-L70 HydrophobicContact CB-CD1 3.78Å; Q60-L70 HydrophobicContact CB-CD2 4Å; Q60-L70 HydrophobicContact CB-CG 3.87Å; L70-E78 WeakPolarHBondContact O-CB 3.47Å; L70-E78 PolarHBondContact O-N 2.9Å; L70-V81 HydrophobicContact CD2-CG1 3.86Å; L70-V81 HydrophobicContact CD2-CG2 4.15Å; L70-F85 HydrophobicContact CD1-CD1 3.78Å; L70-F85 HydrophobicContact CD1-CE1 3.81Å; L70-L96 HydrophobicContact CD1-CD2 4.32Å; L70-Y109 HydrophobicContact CD1-CD1 3.97Å; L70-Y109 HydrophobicContact CD1-CE1 3.74Å
71	I	98.8	Very high	98.2	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.005	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	132.4	-172.5	-56.1	-173.3	0	0	0	108.1	H57 W58 L69 N76 L77 L96	H57-I71 CarbonylContact C-O 3.6Å; H57-I71 VanDerWaalsContact CA-O 3.27Å; H57-I71 WeakPolarHBondContact CA-O 3.35Å; W58-I71 HydrophobicContact CB-CB 4.17Å; W58-I71 PolarHBondContact N-O 2.9Å; W58-I71 PolarHBondContact O-N 2.87Å; L69-I71 WeakPolarHBondContact CD1-O 3.32Å; I71-N76 CarbonylContact C-O 3.59Å; I71-N76 VanDerWaalsContact CA-O 3.22Å; I71-N76 WeakPolarHBondContact CA-O 3.28Å; I71-N76 WeakPolarHBondContact CG2-O 3.04Å; I71-L77 HydrophobicContact CD1-CD1 4.41Å; I71-L77 HydrophobicContact CG1-CD1 4Å; I71-L96 HydrophobicContact CD1-CD1 3.61Å; I71-L96 HydrophobicContact CG1-CD1 4.38Å
72	Y	98.4	Very high	98.2	Very high	90 Å²	90	64.5 Å²	64.5	35%	0.353	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	158.8	172.8	69.8	-78	0	0	0	110.8	H57 A74 S75 N76	H57-Y72 VanDerWaalsContact ND1-CA 3.27Å; H57-Y72 WeakPolarHBondContact ND1-CA 3.35Å; H57-Y72 WeakPolarHBondContact ND1-CB 3.25Å; Y72-A74 VanDerWaalsContact C-N 3.26Å; Y72-A74 PolarHBondContact O-N 3.03Å; Y72-S75 PolarHBondContact O-N 3.22Å; Y72-N76 HydrophobicContact CD1-CB 3.79Å; Y72-N76 VanDerWaalsContact CD1-O 3.24Å; Y72-N76 WeakPolarHBondContact CD1-O 3.23Å; Y72-N76 HydrophobicContact CD2-CB 4.08Å; Y72-N76 HydrophobicContact CE1-CB 3.42Å; Y72-N76 VanDerWaalsContact CE1-CB 3.42Å; Y72-N76 HydrophobicContact CE2-CB 3.72Å; Y72-N76 HydrophobicContact CG-CB 4.09Å; Y72-N76 PolarHBondContact N-O 2.57Å; Y72-N76 WeakPolarHBondContact O-CA 3.29Å; Y72-N76 WeakPolarHBondContact O-CB 3.43Å; Y72-N76 PolarHBondContact O-N 2.83Å
73	L	97.8	Very high	98.2	Very high	40 Å²	40	66.5 Å²	66.5	21%	0.209	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	47	-179.4	-60	177	0	0	0	113.4	N53 S54 F55 M56 H57 S75	N53-L73 HydrophobicContact CB-CD2 4.24Å; S54-L73 CarbonylContact O-C 3.45Å; S54-L73 WeakPolarHBondContact O-CA 3.47Å; F55-L73 HydrophobicContact CD1-CD2 3.83Å; F55-L73 HydrophobicContact CE1-CD2 4.04Å; M56-L73 PolarHBondContact O-N 2.86Å; H57-L73 PolarHBondContact ND1-N 3.39Å; L73-S75 PolarHBondContact O-N 2.75Å
74	A	98.4	Very high	98.2	Very high	2 Å²	2	62.7 Å²	62.7	2%	0.017	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	-27.2	-178.1	0	0	0	0	0	117.1	S54 M56 Y72 G87 S88 F94	S54-A74 PolarHBondContact O-N 2.89Å; M56-A74 HydrophobicContact CB-CB 4.27Å; M56-A74 WeakPolarHBondContact O-CA 3.47Å; M56-A74 PolarHBondContact O-N 3.41Å; Y72-A74 VanDerWaalsContact C-N 3.26Å; Y72-A74 PolarHBondContact O-N 3.03Å; A74-G87 CarbonylContact O-C 3.51Å; A74-G87 WeakPolarHBondContact O-CA 3.45Å; A74-S88 PolarHBondContact O-N 2.92Å; A74-F94 HydrophobicContact CB-CD1 3.79Å; A74-F94 HydrophobicContact CB-CE1 3.79Å
75	S	98.4	Very high	98.3	Very high	74 Å²	74	58.7 Å²	58.7	52%	0.517	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.9	-12.1	-168.5	60.4	0	0	0	0	115.5	Y72 L73 L77 G87	Y72-S75 PolarHBondContact O-N 3.22Å; L73-S75 PolarHBondContact O-N 2.75Å; S75-L77 PolarHBondContact O-N 2.97Å; S75-G87 WeakPolarHBondContact CB-O 3.36Å
76	N	98.4	Very high	98.3	Very high	66 Å²	66	57.5 Å²	57.5	35%	0.353	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	121.1	179.7	-63.7	-29.4	0	0	0	110.4	I71 Y72	I71-N76 CarbonylContact C-O 3.59Å; I71-N76 VanDerWaalsContact CA-O 3.22Å; I71-N76 WeakPolarHBondContact CA-O 3.28Å; I71-N76 WeakPolarHBondContact CG2-O 3.04Å; Y72-N76 HydrophobicContact CD1-CB 3.79Å; Y72-N76 VanDerWaalsContact CD1-O 3.24Å; Y72-N76 WeakPolarHBondContact CD1-O 3.23Å; Y72-N76 HydrophobicContact CD2-CB 4.08Å; Y72-N76 HydrophobicContact CE1-CB 3.42Å; Y72-N76 VanDerWaalsContact CE1-CB 3.42Å; Y72-N76 HydrophobicContact CE2-CB 3.72Å; Y72-N76 HydrophobicContact CG-CB 4.09Å; Y72-N76 PolarHBondContact N-O 2.57Å; Y72-N76 WeakPolarHBondContact O-CA 3.29Å; Y72-N76 WeakPolarHBondContact O-CB 3.43Å; Y72-N76 PolarHBondContact O-N 2.83Å
77	L	98.6	Very high	98.4	Very high	63 Å²	63	53.7 Å²	53.7	33%	0.33	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	131.1	178.5	-162.9	65.9	0	0	0	110.5	I71 S75 V81 F85	I71-L77 HydrophobicContact CD1-CD1 4.41Å; I71-L77 HydrophobicContact CG1-CD1 4Å; S75-L77 PolarHBondContact O-N 2.97Å; L77-V81 HydrophobicContact CD1-CB 3.91Å; L77-V81 HydrophobicContact CD1-CG1 3.58Å; L77-V81 WeakPolarHBondContact CD2-O 3.12Å; L77-V81 HydrophobicContact CG-CB 3.97Å; L77-V81 HydrophobicContact CG-CG1 4.19Å; L77-F85 HydrophobicContact CD1-CB 3.95Å
78	E	98.6	Very high	98.4	Very high	70 Å²	70	53.4 Å²	53.4	33%	0.327	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-67.5	147.2	174.3	-179	56.5	-104.1	0	0	110.9	L69 L70 G80 V81	L69-E78 HydrophobicContact CD2-CG 4.44Å; L69-E78 VanDerWaalsContact CD2-OE2 3.28Å; L69-E78 WeakPolarHBondContact CD2-OE2 3.27Å; L69-E78 HydrophobicContact CG-CB 4.29Å; L69-E78 HydrophobicContact CG-CG 4.38Å; L70-E78 WeakPolarHBondContact O-CB 3.47Å; L70-E78 PolarHBondContact O-N 2.9Å; E78-G80 PolarHBondContact O-N 2.8Å; E78-V81 HydrophobicContact CB-CG2 3.87Å; E78-V81 HydrophobicContact CG-CG2 4.49Å; E78-V81 WeakPolarHBondContact O-CB 3.36Å; E78-V81 WeakPolarHBondContact O-CG2 3.37Å; E78-V81 PolarHBondContact O-N 2.96Å; E78-V81 VanDerWaalsContact O-N 3.09Å
79	S	98.2	Very high	98.4	Very high	114 Å²	114	49.6 Å²	49.6	80%	0.797	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	128.5	-176.9	178.2	0	0	0	0	111.6	V81	S79-V81 VanDerWaalsContact C-N 3.31Å
80	G	97.8	Very high	98.4	Very high	76 Å²	76	50.2 Å²	50.2	78%	0.784	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	-4.5	-179.2	0	0	0	0	0	114.4	E78	E78-G80 PolarHBondContact O-N 2.8Å
81	V	98.3	Very high	98.3	Very high	23 Å²	23	57.7 Å²	57.7	14%	0.139	36%	0.36	C	S	.	.			trans	-75.7	132.7	170.3	-178.9	0	0	0	0	109.1	L70 L77 E78 S79 F85	L70-V81 HydrophobicContact CD2-CG1 3.86Å; L70-V81 HydrophobicContact CD2-CG2 4.15Å; L77-V81 HydrophobicContact CD1-CB 3.91Å; L77-V81 HydrophobicContact CD1-CG1 3.58Å; L77-V81 WeakPolarHBondContact CD2-O 3.12Å; L77-V81 HydrophobicContact CG-CB 3.97Å; L77-V81 HydrophobicContact CG-CG1 4.19Å; E78-V81 HydrophobicContact CB-CG2 3.87Å; E78-V81 HydrophobicContact CG-CG2 4.49Å; E78-V81 WeakPolarHBondContact O-CB 3.36Å; E78-V81 WeakPolarHBondContact O-CG2 3.37Å; E78-V81 PolarHBondContact O-N 2.96Å; E78-V81 VanDerWaalsContact O-N 3.09Å; S79-V81 VanDerWaalsContact C-N 3.31Å; V81-F85 HydrophobicContact CG1-CB 4Å; V81-F85 HydrophobicContact CG1-CD2 3.69Å; V81-F85 HydrophobicContact CG1-CE2 4.43Å; V81-F85 HydrophobicContact CG1-CG 4Å
82	P	98.3	Very high	98.3	Very high	56 Å²	56	59.9 Å²	59.9	36%	0.364	37%	0.373	S	S	.	.			trans	-61.2	142.3	179.1	-28	38.2	0	0	0	113.2	R84 F85	P82-R84 HydrophobicContact CB-CG 4.02Å; P82-R84 VanDerWaalsContact CB-NH1 3.26Å; P82-R84 PolarHBondContact O-N 2.79Å; P82-F85 HydrophobicContact CB-CD2 4.34Å; P82-F85 WeakPolarHBondContact O-CD2 3.41Å; P82-F85 PolarHBondContact O-N 2.82Å; P82-F85 VanDerWaalsContact O-N 3.07Å
83	A	98.2	Very high	98.3	Very high	94 Å²	94	59 Å²	59	78%	0.777	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-7.1	-178	0	0	0	0	0	115.2	F85	A83-F85 PolarHBondContact O-N 2.85Å
84	R	98.5	Very high	98.3	Very high	39 Å²	39	57.2 Å²	57.2	15%	0.147	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-21.9	171.1	67.6	170.1	-178.9	-85.3	-0.5	112.9	P82 I98 D99 P100 E102 D105	P82-R84 HydrophobicContact CB-CG 4.02Å; P82-R84 VanDerWaalsContact CB-NH1 3.26Å; P82-R84 PolarHBondContact O-N 2.79Å; R84-I98 HydrophobicContact CG-CG2 4.47Å; R84-I98 WeakPolarHBondContact O-CA 3.15Å; R84-D99 WeakPolarHBondContact CA-O 3.43Å; R84-D99 VanDerWaalsContact CB-O 3.27Å; R84-D99 WeakPolarHBondContact CB-O 3.45Å; R84-D99 PolarHBondContact O-N 2.85Å; R84-P100 WeakPolarHBondContact CD-O 3.19Å; R84-E102 VanDerWaalsContact CZ-CD 3.49Å; R84-E102 IonicContact CZ-OE1 3.74Å; R84-E102 IonicContact CZ-OE2 3.18Å; R84-E102 IonicContact NE-OE2 3.87Å; R84-E102 IonicContact NH1-OE1 2.72Å; R84-E102 PolarHBondContact NH1-OE1 3.25Å; R84-E102 IonicContact NH1-OE2 3.76Å; R84-E102 PolarHBondContact NH1-OE2 2.67Å; R84-E102 IonicContact NH2-OE2 3.44Å; R84-E102 PolarHBondContact NH2-OE2 3.18Å; R84-D105 IonicContact CZ-OD1 2.8Å; R84-D105 IonicContact CZ-OD2 3.12Å; R84-D105 IonicContact NE-OD1 3.35Å; R84-D105 PolarHBondContact NE-OD1 2.83Å; R84-D105 IonicContact NE-OD2 3.04Å; R84-D105 PolarHBondContact NE-OD2 2.02Å; R84-D105 IonicContact NH2-OD1 3.84Å; R84-D105 PolarHBondContact NH2-OD1 2.99Å; R84-D105 IonicContact NH2-OD2 3.31Å
85	F	98.8	Very high	98.3	Very high	8 Å²	8	58.8 Å²	58.8	4%	0.035	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	134.1	173.7	-67.6	-88.9	0	0	0	109.4	L70 L77 V81 P82 A83 L96 T97 I98 D105 Y109	L70-F85 HydrophobicContact CD1-CD1 3.78Å; L70-F85 HydrophobicContact CD1-CE1 3.81Å; L77-F85 HydrophobicContact CD1-CB 3.95Å; V81-F85 HydrophobicContact CG1-CB 4Å; V81-F85 HydrophobicContact CG1-CD2 3.69Å; V81-F85 HydrophobicContact CG1-CE2 4.43Å; V81-F85 HydrophobicContact CG1-CG 4Å; P82-F85 HydrophobicContact CB-CD2 4.34Å; P82-F85 WeakPolarHBondContact O-CD2 3.41Å; P82-F85 PolarHBondContact O-N 2.82Å; P82-F85 VanDerWaalsContact O-N 3.07Å; A83-F85 PolarHBondContact O-N 2.85Å; F85-L96 HydrophobicContact CD1-CD1 4.46Å; F85-T97 CarbonylContact C-O 3.05Å; F85-T97 WeakPolarHBondContact CA-O 3.27Å; F85-I98 HydrophobicContact CD1-CD1 4.23Å; F85-I98 HydrophobicContact CD1-CG1 3.76Å; F85-I98 HydrophobicContact CD1-CG2 4.33Å; F85-I98 HydrophobicContact CE1-CB 4.45Å; F85-I98 HydrophobicContact CE1-CD1 3.65Å; F85-I98 HydrophobicContact CE1-CG1 3.67Å; F85-I98 HydrophobicContact CE1-CG2 4.02Å; F85-I98 HydrophobicContact CZ-CG2 4.26Å; F85-D105 WeakPolarHBondContact CZ-OD1 3.47Å; F85-Y109 HydrophobicContact CE1-CE1 4.05Å
86	S	98.7	Very high	98.3	Very high	58 Å²	58	55.3 Å²	55.3	41%	0.406	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	146.5	175.2	55.4	0	0	0	0	110.9	T97	S86-T97 PolarHBondContact N-O 3.17Å; S86-T97 PolarHBondContact O-N 2.8Å
87	G	98.7	Very high	98.4	Very high	13 Å²	13	53.3 Å²	53.3	13%	0.134	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	144.9	-179.1	0	0	0	0	0	109	A74 S75 T95	A74-G87 CarbonylContact O-C 3.51Å; A74-G87 WeakPolarHBondContact O-CA 3.45Å; S75-G87 WeakPolarHBondContact CB-O 3.36Å; G87-T95 WeakPolarHBondContact CA-O 3.27Å
88	S	98.3	Very high	98.4	Very high	62 Å²	62	50.6 Å²	50.6	43%	0.434	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	166.1	174.6	73.4	0	0	0	0	111.1	A74 F94 T95	A74-S88 PolarHBondContact O-N 2.92Å; S88-F94 CarbonylContact O-C 3.5Å; S88-F94 VanDerWaalsContact O-CA 3.32Å; S88-F94 WeakPolarHBondContact O-CA 3.27Å; S88-T95 PolarHBondContact N-O 3.3Å; S88-T95 PolarHBondContact O-N 3Å; S88-T95 PolarHBondContact OG-OG1 3.22Å
89	G	98	Very high	98.4	Very high	37 Å²	37	50.2 Å²	50.2	38%	0.381	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	122	171.7	178.7	0	0	0	0	0	113.1	D93	G89-D93 CarbonylContact C-O 3.51Å; G89-D93 WeakPolarHBondContact CA-O 3.41Å
90	S	97.8	Very high	98.4	Very high	61 Å²	61	47.5 Å²	47.5	43%	0.427	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	162.7	178.3	60.2	0	0	0	0	109.1	T92 D93	S90-T92 PolarHBondContact O-N 2.79Å; S90-D93 PolarHBondContact N-O 2.82Å; S90-D93 VanDerWaalsContact N-O 3.15Å; S90-D93 PolarHBondContact O-N 2.84Å
91	R	97.3	Very high	98.4	Very high	165 Å²	165	44.8 Å²	44.8	62%	0.623	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	-93.3	179.1	-54.1	177.2	-178.9	-155.3	-2	111.9	S47 V48 D49 F94	S47-R91 WeakPolarHBondContact CA-O 3.21Å; V48-R91 WeakPolarHBondContact CG2-O 3.2Å; V48-R91 PolarHBondContact N-O 3.04Å; D49-R91 PolarHBondContact OD1-N 2.88Å; D49-R91 WeakPolarHBondContact OD2-CG 3.48Å; D49-R91 PolarHBondContact OD2-N 2.74Å; R91-F94 WeakPolarHBondContact O-CE2 3.45Å; R91-F94 WeakPolarHBondContact O-CZ 3.36Å
92	T	97.9	Very high	98.4	Very high	46 Å²	46	48 Å²	48	28%	0.282	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-15.9	-171.4	48.8	0	0	0	0	113	R43 A44 S90	R43-T92 CarbonylContact C-O 3.57Å; R43-T92 WeakPolarHBondContact CA-O 3.35Å; A44-T92 PolarHBondContact N-O 3.45Å; S90-T92 PolarHBondContact O-N 2.79Å
93	D	98.7	Very high	98.4	Very high	72 Å²	72	48.7 Å²	48.7	39%	0.385	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	120.9	-168.3	-65.2	-92.9	0	0	0	110.7	R43 G89 S90	R43-D93 IonicContact CZ-OD1 3.25Å; R43-D93 VanDerWaalsContact CZ-OD1 3.25Å; R43-D93 IonicContact NE-OD1 2.84Å; R43-D93 PolarHBondContact NE-OD1 3.3Å; R43-D93 IonicContact NH2-OD1 2.78Å; R43-D93 PolarHBondContact NH2-OD1 3.37Å; R43-D93 IonicContact NH2-OD2 3.92Å; G89-D93 CarbonylContact C-O 3.51Å; G89-D93 WeakPolarHBondContact CA-O 3.41Å; S90-D93 PolarHBondContact N-O 2.82Å; S90-D93 VanDerWaalsContact N-O 3.15Å; S90-D93 PolarHBondContact O-N 2.84Å
94	F	98.8	Very high	98.3	Very high	3 Å²	3	49.3 Å²	49.3	1%	0.013	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	151.1	-174.7	-58	-85.2	0	0	0	111.3	S41 C42 V48 M56 W58 A74 S88 R91	S41-F94 CarbonylContact C-O 3.58Å; S41-F94 WeakPolarHBondContact CA-O 3Å; C42-F94 HydrophobicContact CB-CB 4.39Å; C42-F94 PolarHBondContact N-O 3.15Å; C42-F94 PolarHBondContact O-N 2.93Å; V48-F94 HydrophobicContact CG2-CE1 4.35Å; V48-F94 HydrophobicContact CG2-CE2 3.46Å; V48-F94 VanDerWaalsContact CG2-CE2 3.46Å; V48-F94 HydrophobicContact CG2-CZ 3.28Å; M56-F94 HydrophobicContact CB-CD1 3.64Å; M56-F94 HydrophobicContact CB-CD2 4.2Å; M56-F94 HydrophobicContact CB-CE1 3.66Å; M56-F94 HydrophobicContact CB-CE2 4.22Å; M56-F94 HydrophobicContact CB-CG 3.92Å; M56-F94 HydrophobicContact CB-CZ 3.96Å; M56-F94 HydrophobicContact CE-CD2 3.55Å; M56-F94 HydrophobicContact CE-CE2 3.76Å; M56-F94 HydrophobicContact CE-CG 4.2Å; M56-F94 HydrophobicContact CG-CB 3.98Å; M56-F94 HydrophobicContact CG-CD1 3.79Å; M56-F94 HydrophobicContact CG-CD2 3.95Å; M56-F94 HydrophobicContact CG-CE1 4.29Å; M56-F94 HydrophobicContact CG-CE2 4.44Å; M56-F94 HydrophobicContact CG-CG 3.6Å; W58-F94 HydrophobicContact CZ2-CB 4.33Å; A74-F94 HydrophobicContact CB-CD1 3.79Å; A74-F94 HydrophobicContact CB-CE1 3.79Å; S88-F94 CarbonylContact O-C 3.5Å; S88-F94 VanDerWaalsContact O-CA 3.32Å; S88-F94 WeakPolarHBondContact O-CA 3.27Å; R91-F94 WeakPolarHBondContact O-CE2 3.45Å; R91-F94 WeakPolarHBondContact O-CZ 3.36Å
95	T	98.8	Very high	98.3	Very high	35 Å²	35	48 Å²	48	22%	0.215	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	144	174.3	62.7	0	0	0	0	111.6	T39 I40 G87 S88	T39-T95 HydrophobicContact CG2-CG2 4.39Å; I40-T95 CarbonylContact O-C 3.59Å; I40-T95 VanDerWaalsContact O-CA 3.25Å; I40-T95 WeakPolarHBondContact O-CA 2.99Å; G87-T95 WeakPolarHBondContact CA-O 3.27Å; S88-T95 PolarHBondContact N-O 3.3Å; S88-T95 PolarHBondContact O-N 3Å; S88-T95 PolarHBondContact OG-OG1 3.22Å
96	L	98.8	Very high	98.2	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	130.5	163.1	176.3	66.7	0	0	0	107.9	T39 I40 W58 L70 I71 F85 Y109	T39-L96 CarbonylContact C-O 3.59Å; T39-L96 WeakPolarHBondContact CA-O 3.3Å; I40-L96 HydrophobicContact CB-CB 4.48Å; I40-L96 PolarHBondContact N-O 3.48Å; I40-L96 PolarHBondContact O-N 3.34Å; W58-L96 HydrophobicContact CB-CD1 4.31Å; W58-L96 HydrophobicContact CB-CD2 4.4Å; W58-L96 HydrophobicContact CD2-CB 3.55Å; W58-L96 HydrophobicContact CD2-CD1 4.48Å; W58-L96 HydrophobicContact CD2-CD2 4.13Å; W58-L96 HydrophobicContact CD2-CG 4.27Å; W58-L96 HydrophobicContact CE3-CB 3.69Å; W58-L96 HydrophobicContact CE3-CD2 3.8Å; W58-L96 HydrophobicContact CE3-CG 4.33Å; W58-L96 HydrophobicContact CG-CB 4.11Å; W58-L96 HydrophobicContact CG-CD1 4.19Å; W58-L96 HydrophobicContact CG-CD2 4.4Å; W58-L96 HydrophobicContact CG-CG 4.47Å; W58-L96 HydrophobicContact CH2-CB 3.89Å; W58-L96 HydrophobicContact CZ2-CB 3.79Å; W58-L96 HydrophobicContact CZ3-CB 3.85Å; W58-L96 HydrophobicContact CZ3-CD2 4.35Å; L70-L96 HydrophobicContact CD1-CD2 4.32Å; I71-L96 HydrophobicContact CD1-CD1 3.61Å; I71-L96 HydrophobicContact CG1-CD1 4.38Å; F85-L96 HydrophobicContact CD1-CD1 4.46Å; L96-Y109 HydrophobicContact CD2-CD1 3.54Å; L96-Y109 HydrophobicContact CD2-CE1 4.11Å; L96-Y109 HydrophobicContact CD2-CG 4.24Å
97	T	98.8	Very high	98.2	Very high	24 Å²	24	49.9 Å²	49.9	15%	0.147	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	135.2	175	-61.5	0	0	0	0	110	R37 A38 F85 S86 D99	R37-T97 HydrophobicContact CG-CG2 3.81Å; A38-T97 WeakPolarHBondContact O-CA 3.33Å; F85-T97 CarbonylContact C-O 3.05Å; F85-T97 WeakPolarHBondContact CA-O 3.27Å; S86-T97 PolarHBondContact N-O 3.17Å; S86-T97 PolarHBondContact O-N 2.8Å; T97-D99 HydrophobicContact CG2-CB 4.31Å
98	I	98.8	Very high	98.2	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.026	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	115.1	173.5	-46	175.3	0	0	0	106.8	R37 A38 R84 F85 V101 D105 Y109	R37-I98 WeakPolarHBondContact CA-O 3.5Å; A38-I98 HydrophobicContact CB-CB 4.36Å; A38-I98 PolarHBondContact N-O 3.21Å; A38-I98 PolarHBondContact O-N 3.07Å; R84-I98 HydrophobicContact CG-CG2 4.47Å; R84-I98 WeakPolarHBondContact O-CA 3.15Å; F85-I98 HydrophobicContact CD1-CD1 4.23Å; F85-I98 HydrophobicContact CD1-CG1 3.76Å; F85-I98 HydrophobicContact CD1-CG2 4.33Å; F85-I98 HydrophobicContact CE1-CB 4.45Å; F85-I98 HydrophobicContact CE1-CD1 3.65Å; F85-I98 HydrophobicContact CE1-CG1 3.67Å; F85-I98 HydrophobicContact CE1-CG2 4.02Å; F85-I98 HydrophobicContact CZ-CG2 4.26Å; I98-V101 HydrophobicContact CB-CG2 4.14Å; I98-V101 HydrophobicContact CG2-CG2 4.08Å; I98-D105 WeakPolarHBondContact CG2-OD2 3.16Å; I98-Y109 HydrophobicContact CD1-CE1 3.89Å; I98-Y109 HydrophobicContact CD1-CE2 4.24Å; I98-Y109 WeakPolarHBondContact CD1-OH 3.43Å
99	D	98.6	Very high	98.2	Very high	63 Å²	63	51 Å²	51	34%	0.337	31%	0.305	S	S	.	.	S	Bend	trans	-149.8	109	-176.5	-166.8	2	0	0	0	111.4	R37 R84 T97	R37-D99 HydrophobicContact CB-CB 4.33Å; R37-D99 HydrophobicContact CG-CB 4.18Å; R37-D99 IonicContact CZ-OD2 3.24Å; R37-D99 VanDerWaalsContact CZ-OD2 3.24Å; R37-D99 IonicContact NE-OD2 2.82Å; R37-D99 PolarHBondContact NE-OD2 2.83Å; R37-D99 IonicContact NH2-OD2 2.78Å; R37-D99 PolarHBondContact NH2-OD2 3.47Å; R84-D99 WeakPolarHBondContact CA-O 3.43Å; R84-D99 VanDerWaalsContact CB-O 3.27Å; R84-D99 WeakPolarHBondContact CB-O 3.45Å; R84-D99 PolarHBondContact O-N 2.85Å; T97-D99 HydrophobicContact CG2-CB 4.31Å
100	P	98.7	Very high	98.2	Very high	57 Å²	57	53.6 Å²	53.6	37%	0.37	30%	0.303	S	S	.	.	S	Bend	cis	-83.9	152.8	-0.3	32.1	-33.9	0	0	0	113.2	R84	R84-P100 WeakPolarHBondContact CD-O 3.19Å
101	V	98.7	Very high	98.3	Very high	19 Å²	19	51.2 Å²	51.2	12%	0.115	29%	0.286	C	S	.	.			trans	-68.2	130.9	168.8	170.5	0	0	0	0	111.5	V32 L34 G35 Q36 A38 I98 D105	V32-V101 HydrophobicContact CG1-CB 4.42Å; V32-V101 HydrophobicContact CG1-CG2 4Å; L34-V101 HydrophobicContact CD2-CG1 4.41Å; G35-V101 PolarHBondContact N-O 2.93Å; Q36-V101 WeakPolarHBondContact O-CB 3.23Å; Q36-V101 VanDerWaalsContact O-CG2 3.27Å; Q36-V101 WeakPolarHBondContact O-CG2 3.28Å; Q36-V101 PolarHBondContact O-N 3.42Å; A38-V101 HydrophobicContact CB-CG2 3.62Å; I98-V101 HydrophobicContact CB-CG2 4.14Å; I98-V101 HydrophobicContact CG2-CG2 4.08Å; V101-D105 HydrophobicContact CG1-CB 4.39Å
102	E	98.5	Very high	98.3	Very high	90 Å²	90	46.6 Å²	46.6	42%	0.421	27%	0.272	S	S	.	.			trans	-109.3	164.2	174.2	-67.9	174.7	-171.1	0	0	111.7	R84 D104 D105	R84-E102 VanDerWaalsContact CZ-CD 3.49Å; R84-E102 IonicContact CZ-OE1 3.74Å; R84-E102 IonicContact CZ-OE2 3.18Å; R84-E102 IonicContact NE-OE2 3.87Å; R84-E102 IonicContact NH1-OE1 2.72Å; R84-E102 PolarHBondContact NH1-OE1 3.25Å; R84-E102 IonicContact NH1-OE2 3.76Å; R84-E102 PolarHBondContact NH1-OE2 2.67Å; R84-E102 IonicContact NH2-OE2 3.44Å; R84-E102 PolarHBondContact NH2-OE2 3.18Å; E102-D104 PolarHBondContact O-N 2.89Å; E102-D105 PolarHBondContact N-OD2 2.9Å; E102-D105 WeakPolarHBondContact O-CB 3Å; E102-D105 PolarHBondContact O-N 2.79Å
103	A	97.2	Very high	98.2	Very high	71 Å²	71	45.5 Å²	45.5	59%	0.587	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-59.6	-32.9	-178.2	0	0	0	0	0	113	L34 D105	L34-A103 HydrophobicContact CD2-CB 4.33Å; A103-D105 PolarHBondContact O-N 2.98Å
104	D	96.5	Very high	97.9	Very high	107 Å²	107	45.2 Å²	45.2	57%	0.572	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-76.9	-1.8	-179.8	-83.2	3.7	0	0	0	114	K62 E102 A106	K62-D104 WeakPolarHBondContact CE-O 3.42Å; K62-D104 PolarHBondContact NZ-O 2.78Å; E102-D104 PolarHBondContact O-N 2.89Å; D104-A106 VanDerWaalsContact C-N 3.34Å
105	D	98	Very high	97.5	Very high	10 Å²	10	47.1 Å²	47.1	5%	0.053	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-88.1	-1.9	179.6	-61.8	-26.9	0	0	0	112.9	R84 F85 I98 V101 E102 A103 A107 Y109	R84-D105 IonicContact CZ-OD1 2.8Å; R84-D105 IonicContact CZ-OD2 3.12Å; R84-D105 IonicContact NE-OD1 3.35Å; R84-D105 PolarHBondContact NE-OD1 2.83Å; R84-D105 IonicContact NE-OD2 3.04Å; R84-D105 PolarHBondContact NE-OD2 2.02Å; R84-D105 IonicContact NH2-OD1 3.84Å; R84-D105 PolarHBondContact NH2-OD1 2.99Å; R84-D105 IonicContact NH2-OD2 3.31Å; F85-D105 WeakPolarHBondContact CZ-OD1 3.47Å; I98-D105 WeakPolarHBondContact CG2-OD2 3.16Å; V101-D105 HydrophobicContact CG1-CB 4.39Å; E102-D105 PolarHBondContact N-OD2 2.9Å; E102-D105 WeakPolarHBondContact O-CB 3Å; E102-D105 PolarHBondContact O-N 2.79Å; A103-D105 PolarHBondContact O-N 2.98Å; D105-A107 PolarHBondContact O-N 3.32Å; D105-Y109 WeakPolarHBondContact O-CE2 3.34Å; D105-Y109 PolarHBondContact O-OH 3.13Å
106	A	98	Very high	96.6	Very high	78 Å²	78	49.2 Å²	49.2	65%	0.645	28%	0.28	S	S	*	.			trans	-66.3	103.3	172.6	0	0	0	0	0	110.8	D104	D104-A106 VanDerWaalsContact C-N 3.34Å
107	A	98.4	Very high	95.2	Very high	29 Å²	29	55.9 Å²	55.9	24%	0.24	32%	0.315	C	S	.	.	S	Bend	trans	-160.8	168.4	-174	0	0	0	0	0	111	Q60 Q61 K62 D105 Y109	Q60-A107 HydrophobicContact CG-CB 3.38Å; Q61-A107 WeakPolarHBondContact O-CA 3.22Å; Q61-A107 WeakPolarHBondContact O-CB 3.41Å; K62-A107 HydrophobicContact CG-CB 4.25Å; D105-A107 PolarHBondContact O-N 3.32Å; A107-Y109 HydrophobicContact CB-CE2 3.94Å; A107-Y109 WeakPolarHBondContact O-CD2 3.23Å
108	T	98.4	Very high	93.1	Very high	74 Å²	74	62.4 Å²	62.4	45%	0.454	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	136	161.6	-47.2	0	0	0	0	109	Q61 Y110	Q61-T108 PolarHBondContact N-O 2.95Å; Q61-T108 PolarHBondContact O-N 2.88Å; T108-Y110 HydrophobicContact CG2-CD2 4.49Å; T108-Y110 HydrophobicContact CG2-CE1 3.78Å; T108-Y110 HydrophobicContact CG2-CE2 3.7Å; T108-Y110 VanDerWaalsContact CG2-OH 3.23Å; T108-Y110 WeakPolarHBondContact CG2-OH 3.31Å
109	Y	98.6	Very high	92.8	Very high	25 Å²	25	65.3 Å²	65.3	10%	0.098	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135.4	179.5	-67	-94.4	0	0	0	110.2	Q25 I40 Y59 Q60 L70 F85 L96 I98 D105 A107	Q25-Y109 PolarHBondContact NE2-O 3.08Å; I40-Y109 HydrophobicContact CD1-CD2 3.82Å; I40-Y109 HydrophobicContact CD1-CG 3.76Å; Y59-Y109 VanDerWaalsContact O-CA 3.3Å; Y59-Y109 WeakPolarHBondContact O-CA 3.21Å; Q60-Y109 HydrophobicContact CB-CD1 4.28Å; Q60-Y109 HydrophobicContact CB-CE1 4.01Å; Q60-Y109 HydrophobicContact CG-CD1 4.42Å; Q60-Y109 HydrophobicContact CG-CE1 3.85Å; Q60-Y109 PolarHBondContact NE2-OH 3.19Å; L70-Y109 HydrophobicContact CD1-CD1 3.97Å; L70-Y109 HydrophobicContact CD1-CE1 3.74Å; F85-Y109 HydrophobicContact CE1-CE1 4.05Å; L96-Y109 HydrophobicContact CD2-CD1 3.54Å; L96-Y109 HydrophobicContact CD2-CE1 4.11Å; L96-Y109 HydrophobicContact CD2-CG 4.24Å; I98-Y109 HydrophobicContact CD1-CE1 3.89Å; I98-Y109 HydrophobicContact CD1-CE2 4.24Å; I98-Y109 WeakPolarHBondContact CD1-OH 3.43Å; D105-Y109 WeakPolarHBondContact O-CE2 3.34Å; D105-Y109 PolarHBondContact O-OH 3.13Å; A107-Y109 HydrophobicContact CB-CE2 3.94Å; A107-Y109 WeakPolarHBondContact O-CD2 3.23Å
110	Y	98.2	Very high	92.5	Very high	90 Å²	90	65.4 Å²	65.4	35%	0.353	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.6	-178.6	-56	-82.5	0	0	0	110.5	W58 Y59 Q61 T108	W58-Y110 WeakPolarHBondContact CA-O 3.48Å; Y59-Y110 PolarHBondContact N-O 2.84Å; Y59-Y110 PolarHBondContact O-N 3.22Å; Q61-Y110 HydrophobicContact CB-CD2 4.38Å; Q61-Y110 HydrophobicContact CB-CE2 3.74Å; Q61-Y110 VanDerWaalsContact OE1-CE2 3.29Å; Q61-Y110 PolarHBondContact OE1-OH 2.84Å; T108-Y110 HydrophobicContact CG2-CD2 4.49Å; T108-Y110 HydrophobicContact CG2-CE1 3.78Å; T108-Y110 HydrophobicContact CG2-CE2 3.7Å; T108-Y110 VanDerWaalsContact CG2-OH 3.23Å; T108-Y110 WeakPolarHBondContact CG2-OH 3.31Å
111	C	98.2	Very high	92.2	Very high	11 Å²	11	65.9 Å²	65.9	7%	0.074	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	147.4	161.9	66.3	0	0	0	0	110.2	L23 Q25 C42 M56 H57 W58	L23-C111 WeakPolarHBondContact CD1-O 3.42Å; Q25-C111 HydrophobicContact CG-CB 4.46Å; Q25-C111 WeakPolarHBondContact CG-SG 3.46Å; C42-C111 HydrophobicContact CB-CB 3.43Å; C42-C111 VanDerWaalsContact CB-CB 3.43Å; C42-C111 WeakPolarHBondContact CB-SG 3.35Å; C42-C111 WeakPolarHBondContact SG-CB 3.4Å; C42-C111 CovalentContact SG-SG 2.02Å; C42-C111 PolarHBondContact SG-SG 3.29Å; M56-C111 HydrophobicContact SD-CB 3.67Å; H57-C111 CarbonylContact O-C 3.54Å; H57-C111 VanDerWaalsContact O-CA 3.27Å; H57-C111 WeakPolarHBondContact O-CA 3.48Å; W58-C111 HydrophobicContact CD2-CB 4.32Å; W58-C111 HydrophobicContact CE3-CB 4.02Å; W58-C111 HydrophobicContact CH2-CB 4.1Å; W58-C111 HydrophobicContact CZ2-CB 4.35Å; W58-C111 HydrophobicContact CZ3-CB 3.92Å
112	Q	97.4	Very high	91.8	Very high	69 Å²	69	68.6 Å²	68.6	32%	0.322	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	137.6	177.8	178.1	-102.5	-31.6	0	0	109.6	M56 H57 Y59	M56-Q112 CarbonylContact C-O 3.57Å; M56-Q112 VanDerWaalsContact SD-O 3.35Å; H57-Q112 PolarHBondContact CD2-OE1 3.22Å; H57-Q112 PolarHBondContact N-O 2.82Å; H57-Q112 PolarHBondContact O-N 2.85Å; Y59-Q112 HydrophobicContact CD2-CB 4.4Å; Y59-Q112 HydrophobicContact CE2-CB 4.01Å; Y59-Q112 PolarHBondContact OH-OE1 3.22Å
113	Q	95.8	Very high	91.4	Very high	22 Å²	22	67.3 Å²	67.3	10%	0.103	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	145.8	173.2	72.4	77.6	25.4	0	0	110.3	I21 L23 V48 F55 M56 E116	I21-Q113 HydrophobicContact CB-CG 4.18Å; I21-Q113 HydrophobicContact CG2-CG 3.97Å; L23-Q113 HydrophobicContact CD1-CB 4.4Å; L23-Q113 HydrophobicContact CD1-CG 4.31Å; L23-Q113 HydrophobicContact CD2-CB 4.33Å; L23-Q113 HydrophobicContact CD2-CG 4.12Å; L23-Q113 HydrophobicContact CG-CG 4.42Å; V48-Q113 HydrophobicContact CB-CB 4.19Å; V48-Q113 HydrophobicContact CG1-CB 3.58Å; V48-Q113 HydrophobicContact CG1-CG 3.94Å; F55-Q113 WeakPolarHBondContact O-CA 3.33Å; M56-Q113 HydrophobicContact CE-CB 4.17Å; Q113-E116 PolarHBondContact NE2-O 3.39Å; Q113-E116 VanDerWaalsContact OE1-N 3.15Å
114	N	93.8	Very high	91	Very high	67 Å²	67	67.1 Å²	67.1	36%	0.358	38%	0.378	S	S	.	.			trans	-131.6	27.8	172.1	76.4	-43.4	0	0	0	112.7	F55 H57	F55-N114 VanDerWaalsContact CB-OD1 3.31Å; F55-N114 WeakPolarHBondContact CB-OD1 3.39Å; F55-N114 WeakPolarHBondContact CD1-OD1 3.43Å; F55-N114 PolarHBondContact O-N 3.15Å; F55-N114 VanDerWaalsContact O-N 3.15Å; F55-N114 PolarHBondContact O-OD1 3.24Å; H57-N114 PolarHBondContact NE2-OD1 3.12Å
115	N	89	Confident	90.6	Very high	42 Å²	42	64.2 Å²	64.2	23%	0.225	36%	0.364	C	S	.	.	S	Bend	trans	-72.4	-37.5	171.9	-170.8	57.8	0	0	0	111.1	V48 S50 F55	V48-N115 HydrophobicContact CB-CB 4.03Å; S50-N115 WeakPolarHBondContact CB-OD1 3.42Å; F55-N115 HydrophobicContact CB-CB 3.96Å; F55-N115 HydrophobicContact CD2-CB 4.33Å; F55-N115 HydrophobicContact CG-CB 4.42Å
116	E	81	Confident	90.1	Very high	79 Å²	79	68.4 Å²	68.4	37%	0.369	39%	0.388	S	S	.	.	S	Bend	trans	-132.1	128.1	176.5	-65.8	-177.7	178	0	0	108.8	I21 Q113	I21-E116 HydrophobicContact CD1-CB 4.01Å; I21-E116 HydrophobicContact CD1-CG 4.05Å; I21-E116 HydrophobicContact CG1-CB 4.44Å; Q113-E116 PolarHBondContact NE2-O 3.39Å; Q113-E116 VanDerWaalsContact OE1-N 3.15Å
117	D	68.6	Low	89.4	Confident	141 Å²	141	67.6 Å²	67.6	75%	0.754	37%	0.367	S	S	*	.			trans	-80.5	143.8	170.7	-67.8	-41.2	0	0	0	108.9
118	P	55.6	Low	88.6	Confident	162 Å²	162	71.1 Å²	71.1	100%	1.052	38%	0.378	S	S	*	.			trans	-60.9	0	174.2	-17.9	29.5	0	0	0	114.4	N20	N20-P118 WeakPolarHBondContact OD1-CA 3.27Å

Retrieved 118 of 118 residues in 135.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).