A0A5K4F6K6_SCHMA Loading...

BPTI/Kunitz inhibitor domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6K6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 121 aa.

						>A0A5K4F6K6_SCHMA|A0A5K4F6K6
MNSKFHLLIPLVIILGNVHSKARPKTPDEICALPLKKGYCLQNKPRFYYNPLENKCIPFTYKGCGGNENRFKTKEACERMCLKRSTVQSVTNQPKTTPSWKSANETTTRIITITKSTSQKK
					

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	43.5	Very low	58.3	Low	228 Å²	228	138.8 Å²	138.8	100%	1.123	71%	0.711	S	S	*	*				0	57.4	0	-70.2	160.9	66.3	0	0	108.5
2	N	43.6	Very low	59.1	Low	141 Å²	141	136.3 Å²	136.3	75%	0.754	71%	0.706	S	S	*	*				74.6	79.8	86	-60.3	14.6	0	0	0	113	K4	N2-K4 PolarHBondContact O-N 3.5Å
3	S	54.7	Low	59.9	Low	113 Å²	113	134.6 Å²	134.6	79%	0.79	70%	0.697	S	S	*	*				27.3	64.5	120.6	-160.1	0	0	0	0	116
4	K	56.4	Low	60.6	Low	171 Å²	171	135.2 Å²	135.2	74%	0.743	70%	0.7	S	S	*	*			trans	-130.5	-18.5	164.7	-73.3	-173.5	178.1	179.1	0	112.9	N2 H6	N2-K4 PolarHBondContact O-N 3.5Å; K4-H6 VanDerWaalsContact C-N 3.33Å; K4-H6 PolarHBondContact O-N 3.39Å
5	F	57	Low	61.2	Low	179 Å²	179	135.1 Å²	135.1	79%	0.785	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-70.6	-27.5	175.5	-108.1	-92.7	0	0	0	113.3	L7 L8 I9	F5-L7 VanDerWaalsContact C-N 3.27Å; F5-L7 PolarHBondContact O-N 3.18Å; F5-L8 PolarHBondContact O-N 3.07Å; F5-I9 WeakPolarHBondContact O-CG1 3.27Å
6	H	60.2	Low	61.4	Low	148 Å²	148	129.9 Å²	129.9	69%	0.685	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-72.6	-13.8	-174.1	-150.7	-84.6	0	0	0	114.4	K4 P10	K4-H6 VanDerWaalsContact C-N 3.33Å; K4-H6 PolarHBondContact O-N 3.39Å; H6-P10 WeakPolarHBondContact O-CD 3.49Å
7	L	65	Low	61.8	Low	142 Å²	142	130.2 Å²	130.2	74%	0.743	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-87.1	-23.6	179.7	-70.9	174.1	0	0	0	113.7	F5	F5-L7 VanDerWaalsContact C-N 3.27Å; F5-L7 PolarHBondContact O-N 3.18Å
8	L	64.5	Low	62.4	Low	123 Å²	123	130.2 Å²	130.2	64%	0.644	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	-33	-178.4	-64.5	178.2	0	0	0	113.4	F5 L11	F5-L8 PolarHBondContact O-N 3.07Å; L8-L11 WeakPolarHBondContact O-CB 3.47Å; L8-L11 PolarHBondContact O-N 3.16Å; L8-L11 VanDerWaalsContact O-N 3.1Å
9	I	64.6	Low	63.2	Low	98 Å²	98	131.9 Å²	131.9	50%	0.503	70%	0.7	S	S	.	*	H	α-helix	trans	-53.9	-46.2	177.2	-60.6	167.6	0	0	0	112.5	F5 L11 I13	F5-I9 WeakPolarHBondContact O-CG1 3.27Å; I9-L11 VanDerWaalsContact C-N 3.28Å; I9-L11 PolarHBondContact O-N 3.44Å; I9-I13 HydrophobicContact CG2-CD1 4.44Å
10	P	63.9	Low	64.1	Low	66 Å²	66	131.4 Å²	131.4	43%	0.429	71%	0.707	S	S	.	*	H	α-helix	trans	-64.6	-30.2	178.5	22.2	-31.7	0	0	0	113.2	H6 V12 I13 I14	H6-P10 WeakPolarHBondContact O-CD 3.49Å; P10-V12 PolarHBondContact O-N 3.19Å; P10-I13 PolarHBondContact O-N 3.43Å; P10-I14 WeakPolarHBondContact O-CG1 3.34Å
11	L	67.9	Low	65.1	Low	118 Å²	118	134.4 Å²	134.4	62%	0.618	71%	0.714	S	S	*	*	H	α-helix	trans	-68.8	-36.4	-176.3	-152.9	99.5	0	0	0	112.9	L8 I9	L8-L11 WeakPolarHBondContact O-CB 3.47Å; L8-L11 PolarHBondContact O-N 3.16Å; L8-L11 VanDerWaalsContact O-N 3.1Å; I9-L11 VanDerWaalsContact C-N 3.28Å; I9-L11 PolarHBondContact O-N 3.44Å
12	V	68.1	Low	67.2	Low	108 Å²	108	128.1 Å²	128.1	66%	0.655	70%	0.698	S	S	*	*	H	α-helix	trans	-71.1	-34	-179.1	-174.9	0	0	0	0	111.6	P10 I14 L15	P10-V12 PolarHBondContact O-N 3.19Å; V12-I14 VanDerWaalsContact C-N 3.31Å; V12-I14 PolarHBondContact O-N 3.22Å; V12-L15 PolarHBondContact O-N 3.01Å
13	I	68.8	Low	69.6	Low	115 Å²	115	129.4 Å²	129.4	59%	0.59	69%	0.692	S	S	*	*	H	α-helix	trans	-67.2	-33.3	-179.8	-59.6	173	0	0	0	111.2	I9 P10 L15	I9-I13 HydrophobicContact CG2-CD1 4.44Å; P10-I13 PolarHBondContact O-N 3.43Å; I13-L15 VanDerWaalsContact C-N 3.32Å; I13-L15 PolarHBondContact O-N 2.98Å
14	I	70.1	Confident	71.4	Confident	143 Å²	143	129 Å²	129	73%	0.733	69%	0.687	S	S	*	*	H	α-helix	trans	-68.5	-27.2	-178	-58.4	-63.6	0	0	0	112.6	P10 V12	P10-I14 WeakPolarHBondContact O-CG1 3.34Å; V12-I14 VanDerWaalsContact C-N 3.31Å; V12-I14 PolarHBondContact O-N 3.22Å
15	L	69.9	Low	73.3	Confident	134 Å²	134	125.3 Å²	125.3	70%	0.702	67%	0.671	S	S	*	*	H	α-helix	trans	-96.3	-16.3	-176.7	-64.6	175.1	0	0	0	114.7	V12 I13 N17	V12-L15 PolarHBondContact O-N 3.01Å; I13-L15 VanDerWaalsContact C-N 3.32Å; I13-L15 PolarHBondContact O-N 2.98Å; L15-N17 PolarHBondContact O-N 2.97Å
16	G	64.5	Low	75.1	Confident	52 Å²	52	119.1 Å²	119.1	54%	0.536	65%	0.647	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.1	-15	-162.1	0	0	0	0	0	118.2
17	N	68.5	Low	76.8	Confident	134 Å²	134	115.1 Å²	115.1	72%	0.717	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.8	31.7	-160.9	-70.9	-37.7	0	0	0	116.8	L15 H19	L15-N17 PolarHBondContact O-N 2.97Å; N17-H19 PolarHBondContact O-N 3.07Å; N17-H19 VanDerWaalsContact O-N 3.13Å
18	V	72	Confident	78.2	Confident	130 Å²	130	112.6 Å²	112.6	79%	0.788	62%	0.622	S	S	*	*			trans	-87	70.7	173.3	-125.2	0	0	0	0	111.5	S20	V18-S20 PolarHBondContact O-N 3.35Å
19	H	76.8	Confident	79.8	Confident	164 Å²	164	111.3 Å²	111.3	76%	0.759	61%	0.613	S	S	*	*			trans	-76.6	103.4	166.8	-80	83.9	0	0	0	109.6	N17 K21	N17-H19 PolarHBondContact O-N 3.07Å; N17-H19 VanDerWaalsContact O-N 3.13Å; H19-K21 PolarHBondContact O-N 2.78Å
20	S	82.4	Confident	81.4	Confident	120 Å²	120	107.8 Å²	107.8	84%	0.839	60%	0.595	S	S	*	*			trans	-70	91.5	172.9	-68	0	0	0	0	110	V18 A22	V18-S20 PolarHBondContact O-N 3.35Å; S20-A22 PolarHBondContact O-N 3.06Å
21	K	84.3	Confident	83	Confident	196 Å²	196	105 Å²	105	85%	0.852	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-65.3	130.7	168.3	-70.5	-178.6	-179.8	174.5	0	108.6	H19 R23	H19-K21 PolarHBondContact O-N 2.78Å; K21-R23 PolarHBondContact O-N 2.88Å
22	A	88.6	Confident	84.4	Confident	96 Å²	96	102.9 Å²	102.9	79%	0.793	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-60.6	136.9	168.4	0	0	0	0	0	110.1	S20	S20-A22 PolarHBondContact O-N 3.06Å
23	R	92.6	Very high	85.8	Confident	168 Å²	168	99.6 Å²	99.6	63%	0.634	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-64.7	142.4	173.5	-171.9	-167.1	-162.9	-80.7	3.6	110.1	K21 K25	K21-R23 PolarHBondContact O-N 2.88Å; R23-K25 PolarHBondContact O-N 3.38Å
24	P	93.4	Very high	87.3	Confident	103 Å²	103	97.7 Å²	97.7	67%	0.669	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-62.6	135	166.7	26.8	-34.4	0	0	0	111.1
25	K	95.2	Very high	88.6	Confident	95 Å²	95	93.9 Å²	93.9	41%	0.413	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-69.4	141	171.1	-67.5	171.6	-175.7	147.7	0	110	R23 E29 I30 E68	R23-K25 PolarHBondContact O-N 3.38Å; K25-E29 WeakPolarHBondContact CA-OE2 3.18Å; K25-E29 HydrophobicContact CB-CB 4.18Å; K25-I30 HydrophobicContact CB-CD1 4.21Å; K25-I30 HydrophobicContact CB-CG1 3.74Å; K25-I30 HydrophobicContact CD-CG1 4.39Å; K25-E68 IonicContact NZ-OE1 2.69Å; K25-E68 PolarHBondContact NZ-OE1 2.88Å; K25-E68 IonicContact NZ-OE2 2.8Å; K25-E68 PolarHBondContact NZ-OE2 3.38Å
26	T	95.7	Very high	90	Very high	48 Å²	48	92.8 Å²	92.8	29%	0.294	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-71.6	161.5	171.1	61.5	0	0	0	0	111.1	D28 E29 I30	T26-D28 VanDerWaalsContact C-N 3.27Å; T26-D28 PolarHBondContact O-N 3.42Å; T26-E29 WeakPolarHBondContact CB-OE2 3.15Å; T26-E29 WeakPolarHBondContact CG2-OE2 3.25Å; T26-E29 PolarHBondContact N-OE2 3.36Å; T26-E29 PolarHBondContact O-N 2.64Å; T26-E29 WeakPolarHBondContact OG1-CB 3.34Å; T26-E29 VanDerWaalsContact OG1-CG 3.23Å; T26-E29 WeakPolarHBondContact OG1-CG 3.45Å; T26-E29 PolarHBondContact OG1-N 3.33Å; T26-E29 PolarHBondContact OG1-OE2 2.9Å; T26-I30 WeakPolarHBondContact O-CG1 3.41Å; T26-I30 PolarHBondContact O-N 3.4Å
27	P	95.8	Very high	91.6	Very high	65 Å²	65	96.3 Å²	96.3	42%	0.422	52%	0.521	S	S	.	.	H	α-helix	trans	-53.5	-43.6	172.1	-28.5	36.7	0	0	0	112.8	E29 I30 C31 M80	P27-E29 PolarHBondContact O-N 3.49Å; P27-I30 PolarHBondContact O-N 2.68Å; P27-C31 VanDerWaalsContact O-CB 3.31Å; P27-C31 WeakPolarHBondContact O-CB 3.39Å; P27-C31 PolarHBondContact O-N 3.28Å; P27-C31 PolarHBondContact O-SG 3.19Å; P27-M80 HydrophobicContact CB-CG 4.41Å; P27-M80 HydrophobicContact CB-SD 3.68Å; P27-M80 HydrophobicContact CG-SD 3.81Å
28	D	95.5	Very high	93	Very high	89 Å²	89	91.1 Å²	91.1	48%	0.476	50%	0.499	S	S	.	.	H	α-helix	trans	-60.6	-45.2	178.8	-65	-58.6	0	0	0	111.7	T26 I30 C31 A32 K95	T26-D28 VanDerWaalsContact C-N 3.27Å; T26-D28 PolarHBondContact O-N 3.42Å; D28-I30 PolarHBondContact O-N 2.97Å; D28-C31 PolarHBondContact O-N 3.38Å; D28-A32 VanDerWaalsContact O-CB 3.29Å; D28-A32 WeakPolarHBondContact O-CB 3.43Å; D28-A32 PolarHBondContact O-N 3.41Å; D28-K95 VanDerWaalsContact CG-CE 3.45Å; D28-K95 IonicContact OD1-NZ 2.7Å; D28-K95 PolarHBondContact OD1-NZ 3.43Å; D28-K95 WeakPolarHBondContact OD2-CE 3.36Å; D28-K95 IonicContact OD2-NZ 2.63Å; D28-K95 PolarHBondContact OD2-NZ 2.96Å
29	E	96.7	Very high	94.3	Very high	96 Å²	96	94 Å²	94	45%	0.449	50%	0.497	S	S	.	.	H	α-helix	trans	-64.1	-39.5	176.7	-72.4	167.5	129.4	0	0	112	K25 T26 P27 L33	K25-E29 WeakPolarHBondContact CA-OE2 3.18Å; K25-E29 HydrophobicContact CB-CB 4.18Å; T26-E29 WeakPolarHBondContact CB-OE2 3.15Å; T26-E29 WeakPolarHBondContact CG2-OE2 3.25Å; T26-E29 PolarHBondContact N-OE2 3.36Å; T26-E29 PolarHBondContact O-N 2.64Å; T26-E29 WeakPolarHBondContact OG1-CB 3.34Å; T26-E29 VanDerWaalsContact OG1-CG 3.23Å; T26-E29 WeakPolarHBondContact OG1-CG 3.45Å; T26-E29 PolarHBondContact OG1-N 3.33Å; T26-E29 PolarHBondContact OG1-OE2 2.9Å; P27-E29 PolarHBondContact O-N 3.49Å; E29-L33 WeakPolarHBondContact O-CG 3.34Å
30	I	98	Very high	95.3	Very high	23 Å²	23	88.4 Å²	88.4	12%	0.118	48%	0.476	C	S	.	.	H	α-helix	trans	-65.9	-50	177.6	-69.5	168.6	0	0	0	110.3	K25 T26 P27 D28 A32 L33 E68 N69 F71	K25-I30 HydrophobicContact CB-CD1 4.21Å; K25-I30 HydrophobicContact CB-CG1 3.74Å; K25-I30 HydrophobicContact CD-CG1 4.39Å; T26-I30 WeakPolarHBondContact O-CG1 3.41Å; T26-I30 PolarHBondContact O-N 3.4Å; P27-I30 PolarHBondContact O-N 2.68Å; D28-I30 PolarHBondContact O-N 2.97Å; I30-A32 VanDerWaalsContact C-N 3.26Å; I30-A32 PolarHBondContact O-N 3.09Å; I30-L33 WeakPolarHBondContact O-CB 3.34Å; I30-L33 WeakPolarHBondContact O-CG 3.34Å; I30-L33 PolarHBondContact O-N 2.8Å; I30-L33 VanDerWaalsContact O-N 3.14Å; I30-E68 HydrophobicContact CD1-CB 4.5Å; I30-E68 HydrophobicContact CG1-CB 4.09Å; I30-E68 HydrophobicContact CG2-CB 3.87Å; I30-N69 WeakPolarHBondContact O-CB 3.41Å; I30-F71 HydrophobicContact CG2-CZ 4.19Å
31	C	98.1	Very high	96	Very high	7 Å²	7	90.8 Å²	90.8	5%	0.047	48%	0.478	C	S	.	.	H	α-helix	trans	-71.9	-20	-174.2	-59.7	0	0	0	0	112.6	P27 D28 L33 Y49 N69 C81	P27-C31 VanDerWaalsContact O-CB 3.31Å; P27-C31 WeakPolarHBondContact O-CB 3.39Å; P27-C31 PolarHBondContact O-N 3.28Å; P27-C31 PolarHBondContact O-SG 3.19Å; D28-C31 PolarHBondContact O-N 3.38Å; C31-L33 VanDerWaalsContact C-N 3.31Å; C31-Y49 HydrophobicContact CB-CD1 3.66Å; C31-Y49 HydrophobicContact CB-CE1 4.09Å; C31-Y49 HydrophobicContact CB-CG 4.44Å; C31-Y49 WeakPolarHBondContact O-CD1 2.99Å; C31-N69 PolarHBondContact O-ND2 3.16Å; C31-C81 HydrophobicContact CB-CB 3.71Å; C31-C81 WeakPolarHBondContact CB-SG 3.13Å; C31-C81 WeakPolarHBondContact SG-CA 3.2Å; C31-C81 WeakPolarHBondContact SG-CB 3.33Å; C31-C81 CovalentContact SG-SG 2.03Å; C31-C81 PolarHBondContact SG-SG 2.81Å
32	A	97.4	Very high	96.7	Very high	74 Å²	74	85.9 Å²	85.9	61%	0.612	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-10	172.1	0	0	0	0	0	114.1	D28 I30	D28-A32 VanDerWaalsContact O-CB 3.29Å; D28-A32 WeakPolarHBondContact O-CB 3.43Å; D28-A32 PolarHBondContact O-N 3.41Å; I30-A32 VanDerWaalsContact C-N 3.26Å; I30-A32 PolarHBondContact O-N 3.09Å
33	L	98.6	Very high	97.2	Very high	39 Å²	39	86.7 Å²	86.7	20%	0.204	45%	0.449	C	S	.	.	S	Bend	trans	-69.4	146.4	-178.5	-63.3	166.5	0	0	0	111.5	E29 I30 C31 Y48 N67 E68 N69	E29-L33 WeakPolarHBondContact O-CG 3.34Å; I30-L33 WeakPolarHBondContact O-CB 3.34Å; I30-L33 WeakPolarHBondContact O-CG 3.34Å; I30-L33 PolarHBondContact O-N 2.8Å; I30-L33 VanDerWaalsContact O-N 3.14Å; C31-L33 VanDerWaalsContact C-N 3.31Å; L33-Y48 WeakPolarHBondContact O-CE2 3.32Å; L33-Y48 PolarHBondContact O-OH 2.97Å; L33-N67 HydrophobicContact CD1-CB 4.1Å; L33-E68 HydrophobicContact CD1-CB 4.33Å; L33-E68 WeakPolarHBondContact CD1-OE2 3.39Å; L33-N69 HydrophobicContact CB-CB 4.03Å; L33-N69 PolarHBondContact O-ND2 2.78Å
34	P	98.3	Very high	97.5	Very high	75 Å²	75	82.2 Å²	82.2	49%	0.487	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-70.8	157.3	178.4	29.9	-36.4	0	0	0	111.9	K36 N67	P34-K36 PolarHBondContact O-N 2.8Å; P34-N67 PolarHBondContact O-ND2 2.87Å
35	L	98.6	Very high	97.7	Very high	64 Å²	64	82.5 Å²	82.5	34%	0.335	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-62.3	124	173.1	-173.6	154.4	0	0	0	109.9	K37 Y48 F59	L35-K37 HydrophobicContact CD2-CG 3.8Å; L35-Y48 VanDerWaalsContact CA-CE2 3.43Å; L35-Y48 HydrophobicContact CB-CD1 4Å; L35-Y48 HydrophobicContact CB-CD2 3.88Å; L35-Y48 HydrophobicContact CB-CE1 3.85Å; L35-Y48 HydrophobicContact CB-CE2 3.75Å; L35-Y48 HydrophobicContact CB-CG 4.02Å; L35-Y48 HydrophobicContact CD1-CD1 3.73Å; L35-Y48 HydrophobicContact CD1-CE1 4.27Å; L35-Y48 HydrophobicContact CD1-CG 3.89Å; L35-Y48 HydrophobicContact CG-CD1 4.24Å; L35-Y48 HydrophobicContact CG-CD2 4.25Å; L35-Y48 HydrophobicContact CG-CG 4.07Å; L35-Y48 PolarHBondContact N-OH 3.38Å; L35-F59 HydrophobicContact CD1-CB 4.13Å; L35-F59 HydrophobicContact CD1-CD2 4.47Å; L35-F59 HydrophobicContact CD1-CG 4.22Å; L35-F59 HydrophobicContact CD2-CD2 4.32Å; L35-F59 HydrophobicContact CG-CD2 4.37Å
36	K	98.7	Very high	97.9	Very high	110 Å²	110	80.4 Å²	80.4	48%	0.478	43%	0.426	S	S	.	.			trans	-126.7	110.5	172.3	-68.8	-169.6	174.3	-174.8	0	111.9	P34 G38 G66	P34-K36 PolarHBondContact O-N 2.8Å; K36-G38 VanDerWaalsContact C-N 3.26Å; K36-G38 PolarHBondContact O-N 2.94Å; K36-G66 VanDerWaalsContact CB-CA 3.49Å
37	K	98.6	Very high	98.1	Very high	126 Å²	126	80.3 Å²	80.3	55%	0.548	42%	0.422	S	S	.	.			trans	-64.3	-27.6	177	-65.5	-177.9	-178	174.8	0	112.8	L35 Y61 K62	L35-K37 HydrophobicContact CD2-CG 3.8Å; K37-Y61 WeakPolarHBondContact O-CD2 3.23Å; K37-K62 HydrophobicContact CB-CG 4.33Å; K37-K62 WeakPolarHBondContact O-CB 3.08Å; K37-K62 WeakPolarHBondContact O-CG 3.31Å; K37-K62 PolarHBondContact O-N 2.7Å
38	G	98.5	Very high	98.2	Very high	25 Å²	25	78.1 Å²	78.1	26%	0.258	41%	0.405	S	S	.	.			trans	81	-179.4	-170.1	0	0	0	0	0	112.1	K36 C64	K36-G38 VanDerWaalsContact C-N 3.26Å; K36-G38 PolarHBondContact O-N 2.94Å; G38-C64 WeakPolarHBondContact CA-O 3.36Å
39	Y	97.8	Very high	98.3	Very high	190 Å²	190	75.2 Å²	75.2	75%	0.745	39%	0.388	S	S	*	.	S	Bend	trans	-127.9	5.5	-168.1	55.7	-95.7	0	0	0	115.1	C64	Y39-C64 WeakPolarHBondContact CE2-SG 3.35Å
40	C	98.6	Very high	98.4	Very high	48 Å²	48	71.7 Å²	71.7	32%	0.324	37%	0.372	S	S	.	.	S	Bend	trans	-82.5	-175.7	174.3	-79.4	0	0	0	0	112.6	K62 C64	C40-K62 CarbonylContact C-O 3.33Å; C40-K62 WeakPolarHBondContact CB-O 3.29Å; C40-K62 WeakPolarHBondContact O-CB 2.99Å; C40-C64 HydrophobicContact CB-CB 3.91Å; C40-C64 WeakPolarHBondContact CB-SG 3.33Å; C40-C64 PolarHBondContact N-SG 3.3Å; C40-C64 VanDerWaalsContact N-SG 3.41Å; C40-C64 WeakPolarHBondContact SG-CB 3.4Å; C40-C64 CovalentContact SG-SG 2.01Å; C40-C64 PolarHBondContact SG-SG 2.89Å
41	L	98	Very high	98.3	Very high	169 Å²	169	73.5 Å²	73.5	89%	0.885	39%	0.385	S	S	*	.	S	Bend	trans	-105.8	13.2	-173.1	-56.5	179.3	0	0	0	114.2
42	Q	98.5	Very high	98.2	Very high	93 Å²	93	81 Å²	81	44%	0.435	42%	0.424	S	S	.	.			trans	-86.6	160.2	177	-59.6	178.9	-27.3	0	0	110.7	K62 G63	Q42-K62 WeakPolarHBondContact CB-O 3.38Å; Q42-K62 PolarHBondContact N-O 3.34Å; Q42-K62 VanDerWaalsContact N-O 3.07Å; Q42-K62 VanDerWaalsContact O-CA 3.27Å; Q42-K62 WeakPolarHBondContact O-CA 3.32Å; Q42-K62 WeakPolarHBondContact O-CD 3.48Å; Q42-G63 VanDerWaalsContact OE1-CA 3.29Å
43	N	98.4	Very high	98.2	Very high	113 Å²	113	82.3 Å²	82.3	60%	0.604	42%	0.418	S	S	*	.			trans	-123.8	99	170.2	-67.1	-47.5	0	0	0	108.7	T60 K62	N43-T60 HydrophobicContact CB-CG2 3.75Å; N43-K62 PolarHBondContact OD1-NZ 2.88Å
44	K	98.7	Very high	98.1	Very high	75 Å²	75	85.2 Å²	85.2	33%	0.326	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	117.7	-178.3	-70.3	175.9	169.1	168.5	0	109.7	R46 Y61	K44-R46 PolarHBondContact O-N 2.95Å; K44-Y61 HydrophobicContact CB-CD1 4.39Å; K44-Y61 HydrophobicContact CD-CD1 4.38Å; K44-Y61 PolarHBondContact N-O 3.35Å; K44-Y61 PolarHBondContact O-N 3.14Å
45	P	98.7	Very high	98.1	Very high	109 Å²	109	87.5 Å²	87.5	71%	0.708	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	131	174.7	27.7	-33.5	0	0	0	109.5
46	R	98.8	Very high	98.1	Very high	50 Å²	50	85 Å²	85	19%	0.189	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	166.8	-179.8	-66.5	-62.2	171.7	126.5	-0.7	110.1	K44 P58 F59 R70 F71	K44-R46 PolarHBondContact O-N 2.95Å; R46-P58 CarbonylContact O-C 3.53Å; R46-P58 WeakPolarHBondContact O-CA 3.41Å; R46-F59 HydrophobicContact CB-CD1 4.02Å; R46-F59 HydrophobicContact CB-CE1 3.53Å; R46-F59 HydrophobicContact CB-CZ 3.9Å; R46-F59 PolarHBondContact N-O 3.02Å; R46-F59 WeakPolarHBondContact O-CD1 2.98Å; R46-F59 PolarHBondContact O-N 3.28Å; R46-F59 VanDerWaalsContact O-O 3.14Å; R46-R70 HydrophobicContact CB-CG 3.88Å; R46-R70 HydrophobicContact CG-CG 3.76Å; R46-F71 CarbonylContact C-O 3.56Å; R46-F71 VanDerWaalsContact CA-O 3.29Å; R46-F71 WeakPolarHBondContact CA-O 3.32Å; R46-F71 WeakPolarHBondContact CB-O 3.36Å; R46-F71 WeakPolarHBondContact CD-O 3.23Å
47	F	98.9	Very high	98.1	Very high	47 Å²	47	81.8 Å²	81.8	21%	0.206	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139.6	173.6	-70.2	-94.8	0	0	0	110.3	I57 P58 R70 F71 K74 C77	F47-I57 WeakPolarHBondContact CA-O 3.43Å; F47-P58 HydrophobicContact CD1-CB 4.42Å; F47-P58 HydrophobicContact CE1-CB 4.09Å; F47-P58 HydrophobicContact CZ-CB 4.49Å; F47-R70 WeakPolarHBondContact O-CA 3.29Å; F47-F71 HydrophobicContact CB-CB 4.44Å; F47-F71 PolarHBondContact N-O 3.47Å; F47-F71 WeakPolarHBondContact O-CD2 2.89Å; F47-F71 PolarHBondContact O-N 3.43Å; F47-K74 HydrophobicContact CD1-CB 3.86Å; F47-K74 HydrophobicContact CD1-CG 4.2Å; F47-K74 HydrophobicContact CD2-CB 4.45Å; F47-K74 VanDerWaalsContact CD2-N 3.34Å; F47-K74 HydrophobicContact CE1-CB 3.62Å; F47-K74 HydrophobicContact CE1-CD 4.28Å; F47-K74 HydrophobicContact CE1-CG 4.07Å; F47-K74 HydrophobicContact CE2-CB 4.24Å; F47-K74 HydrophobicContact CG-CB 4.27Å; F47-K74 HydrophobicContact CZ-CB 3.82Å; F47-C77 HydrophobicContact CB-CB 3.98Å
48	Y	98.8	Very high	98.1	Very high	19 Å²	19	80.5 Å²	80.5	8%	0.075	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	135.2	177.3	163.9	-102.9	0	0	0	108.1	L33 L35 N50 C56 I57 N69	L33-Y48 WeakPolarHBondContact O-CE2 3.32Å; L33-Y48 PolarHBondContact O-OH 2.97Å; L35-Y48 VanDerWaalsContact CA-CE2 3.43Å; L35-Y48 HydrophobicContact CB-CD1 4Å; L35-Y48 HydrophobicContact CB-CD2 3.88Å; L35-Y48 HydrophobicContact CB-CE1 3.85Å; L35-Y48 HydrophobicContact CB-CE2 3.75Å; L35-Y48 HydrophobicContact CB-CG 4.02Å; L35-Y48 HydrophobicContact CD1-CD1 3.73Å; L35-Y48 HydrophobicContact CD1-CE1 4.27Å; L35-Y48 HydrophobicContact CD1-CG 3.89Å; L35-Y48 HydrophobicContact CG-CD1 4.24Å; L35-Y48 HydrophobicContact CG-CD2 4.25Å; L35-Y48 HydrophobicContact CG-CG 4.07Å; L35-Y48 PolarHBondContact N-OH 3.38Å; Y48-N50 HydrophobicContact CD1-CB 4.22Å; Y48-N50 HydrophobicContact CE1-CB 3.84Å; Y48-N50 PolarHBondContact O-N 2.82Å; Y48-C56 CarbonylContact O-C 3.54Å; Y48-C56 WeakPolarHBondContact O-CA 3.29Å; Y48-I57 HydrophobicContact CD1-CD1 4.14Å; Y48-I57 HydrophobicContact CD1-CG1 4Å; Y48-I57 PolarHBondContact N-O 3.42Å; Y48-I57 PolarHBondContact O-N 2.98Å; Y48-N69 HydrophobicContact CD2-CB 3.98Å; Y48-N69 WeakPolarHBondContact CD2-ND2 3.35Å; Y48-N69 WeakPolarHBondContact CD2-O 3.36Å; Y48-N69 HydrophobicContact CE2-CB 4.03Å; Y48-N69 VanDerWaalsContact CE2-CG 3.43Å; Y48-N69 WeakPolarHBondContact CE2-ND2 3.49Å
49	Y	98.7	Very high	98.1	Very high	27 Å²	27	80.4 Å²	80.4	11%	0.106	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	116.4	170.3	173.3	-107.7	0	0	0	109.8	C31 P51 N54 N69 C81 L82	C31-Y49 HydrophobicContact CB-CD1 3.66Å; C31-Y49 HydrophobicContact CB-CE1 4.09Å; C31-Y49 HydrophobicContact CB-CG 4.44Å; C31-Y49 WeakPolarHBondContact O-CD1 2.99Å; Y49-P51 HydrophobicContact CE1-CB 3.88Å; Y49-P51 WeakPolarHBondContact O-CD 3.37Å; Y49-N54 PolarHBondContact OH-OD1 2.8Å; Y49-N69 PolarHBondContact N-OD1 2.95Å; Y49-N69 PolarHBondContact O-ND2 2.63Å; Y49-C81 WeakPolarHBondContact CB-SG 3.35Å; Y49-C81 HydrophobicContact CD1-CB 3.76Å; Y49-C81 HydrophobicContact CD2-CB 3.58Å; Y49-C81 HydrophobicContact CE1-CB 4.25Å; Y49-C81 HydrophobicContact CE2-CB 4.14Å; Y49-C81 HydrophobicContact CG-CB 3.36Å; Y49-L82 HydrophobicContact CD2-CD2 4.04Å; Y49-L82 HydrophobicContact CE2-CD2 3.43Å; Y49-L82 VanDerWaalsContact CE2-CD2 3.43Å; Y49-L82 HydrophobicContact CE2-CG 4.38Å
50	N	98.5	Very high	98.1	Very high	22 Å²	22	74.5 Å²	74.5	12%	0.118	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	110.4	171.7	-175.3	-10.8	0	0	0	109.5	Y48 L52 E53 N54 K55 I57	Y48-N50 HydrophobicContact CD1-CB 4.22Å; Y48-N50 HydrophobicContact CE1-CB 3.84Å; Y48-N50 PolarHBondContact O-N 2.82Å; N50-L52 VanDerWaalsContact C-N 3.28Å; N50-L52 PolarHBondContact O-N 3.26Å; N50-L52 WeakPolarHBondContact OD1-CB 3.49Å; N50-L52 PolarHBondContact OD1-N 2.83Å; N50-E53 HydrophobicContact CB-CB 4.31Å; N50-E53 PolarHBondContact ND2-OE1 3.36Å; N50-E53 PolarHBondContact O-N 3.03Å; N50-N54 WeakPolarHBondContact O-CA 2.98Å; N50-N54 PolarHBondContact O-N 3.33Å; N50-K55 PolarHBondContact N-O 3.01Å; N50-K55 PolarHBondContact O-N 3.49Å; N50-I57 HydrophobicContact CB-CD1 4.09Å; N50-I57 HydrophobicContact CB-CG1 4.37Å
51	P	95.7	Very high	98.1	Very high	62 Å²	62	73 Å²	73	40%	0.403	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-23.7	-179.8	28.3	-35.1	0	0	0	113.4	Y49	Y49-P51 HydrophobicContact CE1-CB 3.88Å; Y49-P51 WeakPolarHBondContact O-CD 3.37Å
52	L	96.1	Very high	98.2	Very high	164 Å²	164	68 Å²	68	86%	0.859	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-38	178.5	-60.2	177.4	0	0	0	111.7	N50	N50-L52 VanDerWaalsContact C-N 3.28Å; N50-L52 PolarHBondContact O-N 3.26Å; N50-L52 WeakPolarHBondContact OD1-CB 3.49Å; N50-L52 PolarHBondContact OD1-N 2.83Å
53	E	96.5	Very high	98.2	Very high	102 Å²	102	64.5 Å²	64.5	48%	0.477	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-8.8	178.1	-68.9	179.9	-120.2	0	0	113	N50 K55	N50-E53 HydrophobicContact CB-CB 4.31Å; N50-E53 PolarHBondContact ND2-OE1 3.36Å; N50-E53 PolarHBondContact O-N 3.03Å; E53-K55 HydrophobicContact CB-CB 4.25Å; E53-K55 HydrophobicContact CB-CD 4.45Å; E53-K55 WeakPolarHBondContact O-CG 3.21Å; E53-K55 PolarHBondContact O-N 2.84Å
54	N	96.2	Very high	98.2	Very high	99 Å²	99	60.5 Å²	60.5	53%	0.529	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	44.6	-171.1	-170.3	35.8	0	0	0	112.2	Y49 N50 L82	Y49-N54 PolarHBondContact OH-OD1 2.8Å; N50-N54 WeakPolarHBondContact O-CA 2.98Å; N50-N54 PolarHBondContact O-N 3.33Å; N54-L82 WeakPolarHBondContact OD1-CD2 3.32Å
55	K	98.1	Very high	98.1	Very high	124 Å²	124	58.4 Å²	58.4	54%	0.539	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	148.7	-173.3	-76	174	-171.2	175.7	0	112.3	N50 E53 I57	N50-K55 PolarHBondContact N-O 3.01Å; N50-K55 PolarHBondContact O-N 3.49Å; E53-K55 HydrophobicContact CB-CB 4.25Å; E53-K55 HydrophobicContact CB-CD 4.45Å; E53-K55 WeakPolarHBondContact O-CG 3.21Å; E53-K55 PolarHBondContact O-N 2.84Å; K55-I57 HydrophobicContact CB-CG2 4.3Å
56	C	98.7	Very high	98.1	Very high	10 Å²	10	54.7 Å²	54.7	7%	0.068	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	111	167.6	-74.2	0	0	0	0	110.1	Y48 C77 E78	Y48-C56 CarbonylContact O-C 3.54Å; Y48-C56 WeakPolarHBondContact O-CA 3.29Å; C56-C77 HydrophobicContact CB-CB 3.67Å; C56-C77 WeakPolarHBondContact CB-SG 3.48Å; C56-C77 WeakPolarHBondContact SG-CB 3.15Å; C56-C77 CovalentContact SG-SG 2.03Å; C56-C77 PolarHBondContact SG-SG 3.22Å; C56-E78 HydrophobicContact CB-CG 3.89Å; C56-E78 PolarHBondContact SG-N 2.96Å; C56-E78 VanDerWaalsContact SG-N 3.38Å
57	I	98.6	Very high	98	Very high	44 Å²	44	53.1 Å²	53.1	23%	0.226	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	144.6	-176.2	61.7	172.7	0	0	0	111.3	F47 Y48 N50 K55	F47-I57 WeakPolarHBondContact CA-O 3.43Å; Y48-I57 HydrophobicContact CD1-CD1 4.14Å; Y48-I57 HydrophobicContact CD1-CG1 4Å; Y48-I57 PolarHBondContact N-O 3.42Å; Y48-I57 PolarHBondContact O-N 2.98Å; N50-I57 HydrophobicContact CB-CD1 4.09Å; N50-I57 HydrophobicContact CB-CG1 4.37Å; K55-I57 HydrophobicContact CB-CG2 4.3Å
58	P	98.7	Very high	98	Very high	98 Å²	98	55.2 Å²	55.2	64%	0.636	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	146.7	176.6	30.2	-34.6	0	0	0	111.6	R46 F47	R46-P58 CarbonylContact O-C 3.53Å; R46-P58 WeakPolarHBondContact O-CA 3.41Å; F47-P58 HydrophobicContact CD1-CB 4.42Å; F47-P58 HydrophobicContact CE1-CB 4.09Å; F47-P58 HydrophobicContact CZ-CB 4.49Å
59	F	98.8	Very high	98	Very high	23 Å²	23	54.3 Å²	54.3	10%	0.101	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	163.1	171.6	80.2	-75.7	0	0	0	111.9	L35 R46 R70	L35-F59 HydrophobicContact CD1-CB 4.13Å; L35-F59 HydrophobicContact CD1-CD2 4.47Å; L35-F59 HydrophobicContact CD1-CG 4.22Å; L35-F59 HydrophobicContact CD2-CD2 4.32Å; L35-F59 HydrophobicContact CG-CD2 4.37Å; R46-F59 HydrophobicContact CB-CD1 4.02Å; R46-F59 HydrophobicContact CB-CE1 3.53Å; R46-F59 HydrophobicContact CB-CZ 3.9Å; R46-F59 PolarHBondContact N-O 3.02Å; R46-F59 WeakPolarHBondContact O-CD1 2.98Å; R46-F59 PolarHBondContact O-N 3.28Å; R46-F59 VanDerWaalsContact O-O 3.14Å; F59-R70 HydrophobicContact CE1-CB 4.49Å; F59-R70 HydrophobicContact CE1-CG 4.19Å; F59-R70 HydrophobicContact CZ-CB 4.07Å; F59-R70 HydrophobicContact CZ-CG 3.69Å
60	T	98.7	Very high	98	Very high	67 Å²	67	55.8 Å²	55.8	41%	0.411	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	112.5	176.4	-49	0	0	0	0	111.1	N43	N43-T60 HydrophobicContact CB-CG2 3.75Å
61	Y	98.8	Very high	98	Very high	15 Å²	15	55.8 Å²	55.8	6%	0.059	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	136.2	171.8	173.9	-124	0	0	0	111.4	K37 K44 G63 C64 G65 R70	K37-Y61 WeakPolarHBondContact O-CD2 3.23Å; K44-Y61 HydrophobicContact CB-CD1 4.39Å; K44-Y61 HydrophobicContact CD-CD1 4.38Å; K44-Y61 PolarHBondContact N-O 3.35Å; K44-Y61 PolarHBondContact O-N 3.14Å; Y61-G63 VanDerWaalsContact C-N 3.32Å; Y61-G63 VanDerWaalsContact CE1-O 3.29Å; Y61-G63 WeakPolarHBondContact CE1-O 3.37Å; Y61-G63 PolarHBondContact O-N 3.01Å; Y61-G63 PolarHBondContact OH-O 2.99Å; Y61-C64 WeakPolarHBondContact CE2-O 3.42Å; Y61-C64 WeakPolarHBondContact OH-CA 3.49Å; Y61-C64 PolarHBondContact OH-N 3.06Å; Y61-C64 VanDerWaalsContact OH-N 3.16Å; Y61-C64 PolarHBondContact OH-O 3.21Å; Y61-G65 PolarHBondContact OH-N 3.47Å; Y61-G65 PolarHBondContact OH-O 3.48Å; Y61-R70 PolarHBondContact OH-NH1 2.86Å
62	K	98.7	Very high	98.2	Very high	65 Å²	65	60.5 Å²	60.5	28%	0.283	32%	0.321	S	S	.	.			trans	-81.1	-4.7	-173.5	-68.6	-55	-172.5	178.5	0	115.8	K37 C40 Q42 N43	K37-K62 HydrophobicContact CB-CG 4.33Å; K37-K62 WeakPolarHBondContact O-CB 3.08Å; K37-K62 WeakPolarHBondContact O-CG 3.31Å; K37-K62 PolarHBondContact O-N 2.7Å; C40-K62 CarbonylContact C-O 3.33Å; C40-K62 WeakPolarHBondContact CB-O 3.29Å; C40-K62 WeakPolarHBondContact O-CB 2.99Å; Q42-K62 WeakPolarHBondContact CB-O 3.38Å; Q42-K62 PolarHBondContact N-O 3.34Å; Q42-K62 VanDerWaalsContact N-O 3.07Å; Q42-K62 VanDerWaalsContact O-CA 3.27Å; Q42-K62 WeakPolarHBondContact O-CA 3.32Å; Q42-K62 WeakPolarHBondContact O-CD 3.48Å; N43-K62 PolarHBondContact OD1-NZ 2.88Å
63	G	98.3	Very high	98.3	Very high	19 Å²	19	55.5 Å²	55.5	20%	0.196	30%	0.298	C	S	.	.	S	Bend	trans	105.2	-34.2	172.5	0	0	0	0	0	114.7	Q42 Y61	Q42-G63 VanDerWaalsContact OE1-CA 3.29Å; Y61-G63 VanDerWaalsContact C-N 3.32Å; Y61-G63 VanDerWaalsContact CE1-O 3.29Å; Y61-G63 WeakPolarHBondContact CE1-O 3.37Å; Y61-G63 PolarHBondContact O-N 3.01Å; Y61-G63 PolarHBondContact OH-O 2.99Å
64	C	98.4	Very high	98.4	Very high	29 Å²	29	54.6 Å²	54.6	20%	0.196	29%	0.293	C	S	.	.	S	Bend	trans	-129.7	159.4	175.1	72.3	0	0	0	0	112.6	G38 Y39 C40 Y61	G38-C64 WeakPolarHBondContact CA-O 3.36Å; Y39-C64 WeakPolarHBondContact CE2-SG 3.35Å; C40-C64 HydrophobicContact CB-CB 3.91Å; C40-C64 WeakPolarHBondContact CB-SG 3.33Å; C40-C64 PolarHBondContact N-SG 3.3Å; C40-C64 VanDerWaalsContact N-SG 3.41Å; C40-C64 WeakPolarHBondContact SG-CB 3.4Å; C40-C64 CovalentContact SG-SG 2.01Å; C40-C64 PolarHBondContact SG-SG 2.89Å; Y61-C64 WeakPolarHBondContact CE2-O 3.42Å; Y61-C64 WeakPolarHBondContact OH-CA 3.49Å; Y61-C64 PolarHBondContact OH-N 3.06Å; Y61-C64 VanDerWaalsContact OH-N 3.16Å; Y61-C64 PolarHBondContact OH-O 3.21Å
65	G	97.7	Very high	98.5	Very high	31 Å²	31	54.7 Å²	54.7	32%	0.32	29%	0.29	S	S	.	.	S	Bend	trans	70	-147.3	-176.6	0	0	0	0	0	113.2	Y61 R70	Y61-G65 PolarHBondContact OH-N 3.47Å; Y61-G65 PolarHBondContact OH-O 3.48Å; G65-R70 PolarHBondContact O-NH1 3.12Å
66	G	97.6	Very high	98.5	Very high	31 Å²	31	50.1 Å²	50.1	32%	0.32	28%	0.275	S	S	.	.			trans	70	-151.1	-174.5	0	0	0	0	0	113.1	K36	K36-G66 VanDerWaalsContact CB-CA 3.49Å
67	N	98.5	Very high	98.5	Very high	18 Å²	18	49.6 Å²	49.6	10%	0.096	27%	0.272	C	S	.	.			trans	-148.1	-173.8	-175.5	61	22.6	0	0	0	111.4	L33 P34 N69 R70	L33-N67 HydrophobicContact CD1-CB 4.1Å; P34-N67 PolarHBondContact O-ND2 2.87Å; N67-N69 PolarHBondContact OD1-N 2.81Å; N67-R70 PolarHBondContact O-NH1 3.43Å
68	E	98.1	Very high	98.4	Very high	90 Å²	90	50.1 Å²	50.1	42%	0.421	27%	0.273	S	S	.	.	S	Bend	trans	-78.6	-14.3	-172.4	-62.2	87.2	163.1	0	0	114.6	K25 I30 L33 R70	K25-E68 IonicContact NZ-OE1 2.69Å; K25-E68 PolarHBondContact NZ-OE1 2.88Å; K25-E68 IonicContact NZ-OE2 2.8Å; K25-E68 PolarHBondContact NZ-OE2 3.38Å; I30-E68 HydrophobicContact CD1-CB 4.5Å; I30-E68 HydrophobicContact CG1-CB 4.09Å; I30-E68 HydrophobicContact CG2-CB 3.87Å; L33-E68 HydrophobicContact CD1-CB 4.33Å; L33-E68 WeakPolarHBondContact CD1-OE2 3.39Å; E68-R70 PolarHBondContact O-N 2.03Å
69	N	98.8	Very high	98.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.268	C	S	.	.			trans	-74.9	62.2	171.3	-163.6	-9.8	0	0	0	110.1	I30 C31 L33 Y48 Y49 N67	I30-N69 WeakPolarHBondContact O-CB 3.41Å; C31-N69 PolarHBondContact O-ND2 3.16Å; L33-N69 HydrophobicContact CB-CB 4.03Å; L33-N69 PolarHBondContact O-ND2 2.78Å; Y48-N69 HydrophobicContact CD2-CB 3.98Å; Y48-N69 WeakPolarHBondContact CD2-ND2 3.35Å; Y48-N69 WeakPolarHBondContact CD2-O 3.36Å; Y48-N69 HydrophobicContact CE2-CB 4.03Å; Y48-N69 VanDerWaalsContact CE2-CG 3.43Å; Y48-N69 WeakPolarHBondContact CE2-ND2 3.49Å; Y49-N69 PolarHBondContact N-OD1 2.95Å; Y49-N69 PolarHBondContact O-ND2 2.63Å; N67-N69 PolarHBondContact OD1-N 2.81Å
70	R	98.8	Very high	98.2	Very high	58 Å²	58	54.6 Å²	54.6	22%	0.219	28%	0.281	C	S	.	.			trans	-156.6	103.9	-172.7	179.3	178	64.6	-137.9	3	110.4	R46 F47 F59 Y61 G65 N67 E68	R46-R70 HydrophobicContact CB-CG 3.88Å; R46-R70 HydrophobicContact CG-CG 3.76Å; F47-R70 WeakPolarHBondContact O-CA 3.29Å; F59-R70 HydrophobicContact CE1-CB 4.49Å; F59-R70 HydrophobicContact CE1-CG 4.19Å; F59-R70 HydrophobicContact CZ-CB 4.07Å; F59-R70 HydrophobicContact CZ-CG 3.69Å; Y61-R70 PolarHBondContact OH-NH1 2.86Å; G65-R70 PolarHBondContact O-NH1 3.12Å; N67-R70 PolarHBondContact O-NH1 3.43Å; E68-R70 PolarHBondContact O-N 2.03Å
71	F	98.8	Very high	98.1	Very high	23 Å²	23	52.3 Å²	52.3	10%	0.101	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-111.2	152.2	-174.5	-52.7	-85.2	0	0	0	111.4	I30 R46 F47 A76 C77 M80	I30-F71 HydrophobicContact CG2-CZ 4.19Å; R46-F71 CarbonylContact C-O 3.56Å; R46-F71 VanDerWaalsContact CA-O 3.29Å; R46-F71 WeakPolarHBondContact CA-O 3.32Å; R46-F71 WeakPolarHBondContact CB-O 3.36Å; R46-F71 WeakPolarHBondContact CD-O 3.23Å; F47-F71 HydrophobicContact CB-CB 4.44Å; F47-F71 PolarHBondContact N-O 3.47Å; F47-F71 WeakPolarHBondContact O-CD2 2.89Å; F47-F71 PolarHBondContact O-N 3.43Å; F71-A76 HydrophobicContact CB-CB 4.28Å; F71-C77 HydrophobicContact CB-CB 3.8Å; F71-C77 HydrophobicContact CD2-CB 3.37Å; F71-C77 VanDerWaalsContact CD2-SG 3.56Å; F71-C77 HydrophobicContact CE2-CB 4.08Å; F71-C77 VanDerWaalsContact CG-CA 3.49Å; F71-C77 HydrophobicContact CG-CB 3.65Å; F71-M80 HydrophobicContact CE1-CB 3.67Å; F71-M80 HydrophobicContact CE1-CG 3.78Å; F71-M80 HydrophobicContact CZ-CB 3.82Å; F71-M80 HydrophobicContact CZ-CG 3.75Å
72	K	98.6	Very high	98	Very high	160 Å²	160	54.3 Å²	54.3	70%	0.696	28%	0.278	S	S	*	.	S	Bend	trans	-75	-33	178.8	-73.1	-177.1	-179.7	179.4	0	112.8
73	T	98.7	Very high	97.2	Very high	60 Å²	60	58.3 Å²	58.3	37%	0.368	30%	0.296	S	S	.	.	S	Bend	trans	-131.5	160.8	-179.2	83	0	0	0	0	110.3	E75 A76 C77	T73-E75 VanDerWaalsContact C-N 3.34Å; T73-E75 WeakPolarHBondContact CB-OE2 3.47Å; T73-E75 PolarHBondContact OG1-OE2 3.07Å; T73-A76 PolarHBondContact O-N 3.34Å; T73-A76 PolarHBondContact OG1-N 3.33Å; T73-C77 PolarHBondContact O-N 3.27Å
74	K	98.5	Very high	95.8	Very high	83 Å²	83	68 Å²	68	36%	0.361	33%	0.326	S	S	.	.	H	α-helix	trans	-61.5	-44.9	177.6	-175.6	172.3	172	-77.1	0	110.7	F47 A76 C77 E78	F47-K74 HydrophobicContact CD1-CB 3.86Å; F47-K74 HydrophobicContact CD1-CG 4.2Å; F47-K74 HydrophobicContact CD2-CB 4.45Å; F47-K74 VanDerWaalsContact CD2-N 3.34Å; F47-K74 HydrophobicContact CE1-CB 3.62Å; F47-K74 HydrophobicContact CE1-CD 4.28Å; F47-K74 HydrophobicContact CE1-CG 4.07Å; F47-K74 HydrophobicContact CE2-CB 4.24Å; F47-K74 HydrophobicContact CG-CB 4.27Å; F47-K74 HydrophobicContact CZ-CB 3.82Å; K74-A76 VanDerWaalsContact C-N 3.29Å; K74-A76 PolarHBondContact O-N 3.22Å; K74-C77 WeakPolarHBondContact O-CA 3.44Å; K74-C77 VanDerWaalsContact O-CB 3.32Å; K74-C77 WeakPolarHBondContact O-CB 3.43Å; K74-C77 PolarHBondContact O-N 2.9Å; K74-E78 VanDerWaalsContact CE-OE1 3.23Å; K74-E78 WeakPolarHBondContact CE-OE1 3.18Å; K74-E78 HydrophobicContact CG-CG 4.24Å; K74-E78 IonicContact NZ-OE1 2.88Å; K74-E78 PolarHBondContact NZ-OE1 3.45Å; K74-E78 IonicContact NZ-OE2 2.99Å; K74-E78 PolarHBondContact NZ-OE2 3.24Å; K74-E78 WeakPolarHBondContact O-CG 3.29Å; K74-E78 PolarHBondContact O-N 2.83Å
75	E	98	Very high	93.9	Very high	101 Å²	101	71.4 Å²	71.4	47%	0.472	35%	0.351	S	S	.	.	H	α-helix	trans	-63.1	-36.4	-177.5	-52.9	67.4	-140.4	0	0	111.3	T73 R79	T73-E75 VanDerWaalsContact C-N 3.34Å; T73-E75 WeakPolarHBondContact CB-OE2 3.47Å; T73-E75 PolarHBondContact OG1-OE2 3.07Å; E75-R79 WeakPolarHBondContact O-CB 3.43Å; E75-R79 PolarHBondContact O-N 2.03Å
76	A	98.2	Very high	91.9	Very high	27 Å²	27	75.8 Å²	75.8	22%	0.223	37%	0.371	C	S	.	.	H	α-helix	trans	-66.7	-39.6	175.3	0	0	0	0	0	112.3	F71 T73 K74 M80	F71-A76 HydrophobicContact CB-CB 4.28Å; T73-A76 PolarHBondContact O-N 3.34Å; T73-A76 PolarHBondContact OG1-N 3.33Å; K74-A76 VanDerWaalsContact C-N 3.29Å; K74-A76 PolarHBondContact O-N 3.22Å; A76-M80 WeakPolarHBondContact O-CB 3.46Å; A76-M80 PolarHBondContact O-N 3.24Å
77	C	98.6	Very high	90	Very high	0 Å²	0	80.1 Å²	80.1	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-64.1	-49.6	173.8	179.4	0	0	0	0	111	F47 C56 F71 T73 K74 R79 M80 C81	F47-C77 HydrophobicContact CB-CB 3.98Å; C56-C77 HydrophobicContact CB-CB 3.67Å; C56-C77 WeakPolarHBondContact CB-SG 3.48Å; C56-C77 WeakPolarHBondContact SG-CB 3.15Å; C56-C77 CovalentContact SG-SG 2.03Å; C56-C77 PolarHBondContact SG-SG 3.22Å; F71-C77 HydrophobicContact CB-CB 3.8Å; F71-C77 HydrophobicContact CD2-CB 3.37Å; F71-C77 VanDerWaalsContact CD2-SG 3.56Å; F71-C77 HydrophobicContact CE2-CB 4.08Å; F71-C77 VanDerWaalsContact CG-CA 3.49Å; F71-C77 HydrophobicContact CG-CB 3.65Å; T73-C77 PolarHBondContact O-N 3.27Å; K74-C77 WeakPolarHBondContact O-CA 3.44Å; K74-C77 VanDerWaalsContact O-CB 3.32Å; K74-C77 WeakPolarHBondContact O-CB 3.43Å; K74-C77 PolarHBondContact O-N 2.9Å; C77-R79 PolarHBondContact O-N 3.41Å; C77-M80 PolarHBondContact O-N 2.77Å; C77-M80 VanDerWaalsContact O-N 3.12Å; C77-C81 WeakPolarHBondContact O-CB 3.13Å; C77-C81 PolarHBondContact O-N 2.86Å
78	E	97.5	Very high	87.8	Confident	54 Å²	54	88.1 Å²	88.1	25%	0.252	43%	0.428	S	S	.	.	H	α-helix	trans	-65.8	-39.3	-177.5	-64.7	-177.3	142.5	0	0	111.5	C56 K74 M80 C81 L82	C56-E78 HydrophobicContact CB-CG 3.89Å; C56-E78 PolarHBondContact SG-N 2.96Å; C56-E78 VanDerWaalsContact SG-N 3.38Å; K74-E78 VanDerWaalsContact CE-OE1 3.23Å; K74-E78 WeakPolarHBondContact CE-OE1 3.18Å; K74-E78 HydrophobicContact CG-CG 4.24Å; K74-E78 IonicContact NZ-OE1 2.88Å; K74-E78 PolarHBondContact NZ-OE1 3.45Å; K74-E78 IonicContact NZ-OE2 2.99Å; K74-E78 PolarHBondContact NZ-OE2 3.24Å; K74-E78 WeakPolarHBondContact O-CG 3.29Å; K74-E78 PolarHBondContact O-N 2.83Å; E78-M80 PolarHBondContact O-N 3.35Å; E78-C81 PolarHBondContact O-N 2.81Å; E78-L82 HydrophobicContact CB-CB 4.41Å; E78-L82 HydrophobicContact CB-CD1 3.93Å; E78-L82 HydrophobicContact CB-CG 4.32Å; E78-L82 HydrophobicContact CG-CD1 3.61Å; E78-L82 HydrophobicContact CG-CG 4.36Å; E78-L82 WeakPolarHBondContact O-CA 3.5Å; E78-L82 WeakPolarHBondContact O-CB 3.18Å; E78-L82 PolarHBondContact O-N 3.25Å
79	R	96.5	Very high	85.5	Confident	143 Å²	143	89.1 Å²	89.1	54%	0.54	45%	0.445	S	S	.	.	H	α-helix	trans	-63.3	-31.5	175	-168.3	-173.4	-52.4	105.7	5.5	112.7	E75 C77 K83	E75-R79 WeakPolarHBondContact O-CB 3.43Å; E75-R79 PolarHBondContact O-N 2.03Å; C77-R79 PolarHBondContact O-N 3.41Å; R79-K83 VanDerWaalsContact CG-CE 3.44Å; R79-K83 WeakPolarHBondContact O-CD 3.48Å; R79-K83 VanDerWaalsContact O-CE 3.32Å; R79-K83 WeakPolarHBondContact O-CE 3.42Å; R79-K83 VanDerWaalsContact O-CG 3.29Å; R79-K83 WeakPolarHBondContact O-CG 3.45Å
80	M	96.2	Very high	83.7	Confident	73 Å²	73	95 Å²	95	36%	0.36	48%	0.481	S	S	.	.	H	α-helix	trans	-80.9	-45.7	178	-174.2	63.8	77	0	0	111.5	P27 F71 A76 C77 E78	P27-M80 HydrophobicContact CB-CG 4.41Å; P27-M80 HydrophobicContact CB-SD 3.68Å; P27-M80 HydrophobicContact CG-SD 3.81Å; F71-M80 HydrophobicContact CE1-CB 3.67Å; F71-M80 HydrophobicContact CE1-CG 3.78Å; F71-M80 HydrophobicContact CZ-CB 3.82Å; F71-M80 HydrophobicContact CZ-CG 3.75Å; A76-M80 WeakPolarHBondContact O-CB 3.46Å; A76-M80 PolarHBondContact O-N 3.24Å; C77-M80 PolarHBondContact O-N 2.77Å; C77-M80 VanDerWaalsContact O-N 3.12Å; E78-M80 PolarHBondContact O-N 3.35Å
81	C	97.6	Very high	81.5	Confident	19 Å²	19	97.9 Å²	97.9	13%	0.128	51%	0.505	C	S	.	.	H	α-helix	trans	-108.9	-21.4	-164.1	-58.9	0	0	0	0	115.4	C31 Y49 C77 E78	C31-C81 HydrophobicContact CB-CB 3.71Å; C31-C81 WeakPolarHBondContact CB-SG 3.13Å; C31-C81 WeakPolarHBondContact SG-CA 3.2Å; C31-C81 WeakPolarHBondContact SG-CB 3.33Å; C31-C81 CovalentContact SG-SG 2.03Å; C31-C81 PolarHBondContact SG-SG 2.81Å; Y49-C81 WeakPolarHBondContact CB-SG 3.35Å; Y49-C81 HydrophobicContact CD1-CB 3.76Å; Y49-C81 HydrophobicContact CD2-CB 3.58Å; Y49-C81 HydrophobicContact CE1-CB 4.25Å; Y49-C81 HydrophobicContact CE2-CB 4.14Å; Y49-C81 HydrophobicContact CG-CB 3.36Å; C77-C81 WeakPolarHBondContact O-CB 3.13Å; C77-C81 PolarHBondContact O-N 2.86Å; E78-C81 PolarHBondContact O-N 2.81Å
82	L	95.2	Very high	79	Confident	57 Å²	57	103.5 Å²	103.5	30%	0.298	54%	0.536	S	S	.	.	S	Bend	trans	-104.1	1	-177.8	-62.5	-175	0	0	0	113.8	Y49 N54 E78 R84	Y49-L82 HydrophobicContact CD2-CD2 4.04Å; Y49-L82 HydrophobicContact CE2-CD2 3.43Å; Y49-L82 VanDerWaalsContact CE2-CD2 3.43Å; Y49-L82 HydrophobicContact CE2-CG 4.38Å; N54-L82 WeakPolarHBondContact OD1-CD2 3.32Å; E78-L82 HydrophobicContact CB-CB 4.41Å; E78-L82 HydrophobicContact CB-CD1 3.93Å; E78-L82 HydrophobicContact CB-CG 4.32Å; E78-L82 HydrophobicContact CG-CD1 3.61Å; E78-L82 HydrophobicContact CG-CG 4.36Å; E78-L82 WeakPolarHBondContact O-CA 3.5Å; E78-L82 WeakPolarHBondContact O-CB 3.18Å; E78-L82 PolarHBondContact O-N 3.25Å; L82-R84 PolarHBondContact O-N 2.88Å
83	K	83.3	Confident	76.8	Confident	148 Å²	148	104.9 Å²	104.9	64%	0.643	55%	0.545	S	S	*	.			trans	-63.6	114.9	176.1	-82.3	-172.6	-179.8	-177.9	0	109.6	R79 S85	R79-K83 VanDerWaalsContact CG-CE 3.44Å; R79-K83 WeakPolarHBondContact O-CD 3.48Å; R79-K83 VanDerWaalsContact O-CE 3.32Å; R79-K83 WeakPolarHBondContact O-CE 3.42Å; R79-K83 VanDerWaalsContact O-CG 3.29Å; R79-K83 WeakPolarHBondContact O-CG 3.45Å; K83-S85 PolarHBondContact O-N 2.95Å
84	R	68.6	Low	74.3	Confident	223 Å²	223	107 Å²	107	84%	0.842	56%	0.559	S	S	*	*			trans	-55.4	130.3	173.8	-65.6	177.8	-179.1	157.4	-0.1	108.6	L82 T86	L82-R84 PolarHBondContact O-N 2.88Å; R84-T86 PolarHBondContact O-N 3.4Å; R84-T86 PolarHBondContact O-OG1 2.88Å
85	S	58	Low	71.8	Confident	101 Å²	101	109.4 Å²	109.4	71%	0.706	57%	0.57	S	S	*	*			trans	-64.8	73.2	168.6	53.2	0	0	0	0	109.7	K83	K83-S85 PolarHBondContact O-N 2.95Å
86	T	56	Low	68.9	Low	122 Å²	122	110.3 Å²	110.3	75%	0.748	58%	0.582	S	S	*	*	S	Bend	trans	-86.5	-14.8	177.2	-4	0	0	0	0	113.4	R84	R84-T86 PolarHBondContact O-N 3.4Å; R84-T86 PolarHBondContact O-OG1 2.88Å
87	V	58.6	Low	66.2	Low	122 Å²	122	114.3 Å²	114.3	74%	0.739	61%	0.605	S	S	*	*	S	Bend	trans	-150.2	-17.4	174.5	-173.1	0	0	0	0	114.6	S89	V87-S89 VanDerWaalsContact C-N 3.28Å; V87-S89 PolarHBondContact O-N 3.31Å
88	Q	52.1	Low	63.8	Low	186 Å²	186	119.3 Å²	119.3	87%	0.869	64%	0.637	S	S	*	*			trans	-88.9	53.3	-172	-65.9	-166.6	-18.2	0	0	114.9
89	S	49	Very low	61.8	Low	111 Å²	111	122.6 Å²	122.6	78%	0.776	67%	0.666	S	S	*	*	S	Bend	trans	-119.1	61.6	154.5	61.5	0	0	0	0	108.8	V87	V87-S89 VanDerWaalsContact C-N 3.28Å; V87-S89 PolarHBondContact O-N 3.31Å
90	V	60.3	Low	59.8	Low	124 Å²	124	125.7 Å²	125.7	75%	0.752	68%	0.678	S	S	*	*	S	Bend	trans	-134.7	-26.8	169.5	-174.6	0	0	0	0	114.4
91	T	53.1	Low	57.4	Low	118 Å²	118	130.7 Å²	130.7	72%	0.724	70%	0.698	S	S	*	*	S	Bend	trans	-136.1	119.6	-177.7	48.5	0	0	0	0	113.3
92	N	46.5	Very low	55.2	Low	141 Å²	141	134.3 Å²	134.3	75%	0.754	72%	0.723	S	S	*	*	S	Bend	trans	100.6	69.2	168.2	-47.8	-29	0	0	0	116.6
93	Q	52.1	Low	53.3	Low	189 Å²	189	135 Å²	135	88%	0.883	74%	0.736	S	S	*	*	S	Bend	trans	70.3	150.3	152.8	-75.1	-170.1	-13.5	0	0	118.7
94	P	46.2	Very low	51.7	Low	104 Å²	104	133 Å²	133	68%	0.675	73%	0.733	S	S	*	*			trans	-85.7	124.6	-135.6	31.1	-32	0	0	0	111.7	T96	P94-T96 PolarHBondContact O-N 2.88Å
95	K	47.1	Very low	51.2	Low	135 Å²	135	129.6 Å²	129.6	59%	0.587	73%	0.727	S	S	*	*			trans	-65.1	93.9	142.3	-67.8	-178.1	-167	-175.3	0	105.3	D28 T97	D28-K95 VanDerWaalsContact CG-CE 3.45Å; D28-K95 IonicContact OD1-NZ 2.7Å; D28-K95 PolarHBondContact OD1-NZ 3.43Å; D28-K95 WeakPolarHBondContact OD2-CE 3.36Å; D28-K95 IonicContact OD2-NZ 2.63Å; D28-K95 PolarHBondContact OD2-NZ 2.96Å; K95-T97 PolarHBondContact O-N 3.41Å
96	T	36.6	Very low	51.5	Low	119 Å²	119	129.2 Å²	129.2	73%	0.73	72%	0.72	S	S	*	*			trans	-55	104	153.5	46.6	0	0	0	0	104.4	P94	P94-T96 PolarHBondContact O-N 2.88Å
97	T	41.6	Very low	52.3	Low	112 Å²	112	126.8 Å²	126.8	69%	0.687	71%	0.705	S	S	*	*			trans	-43.6	141.6	163	42.9	0	0	0	0	107.3	K95 S99	K95-T97 PolarHBondContact O-N 3.41Å; T97-S99 VanDerWaalsContact C-N 3.33Å; T97-S99 PolarHBondContact O-N 2.86Å
98	P	47.2	Very low	52.9	Low	105 Å²	105	125 Å²	125	68%	0.682	70%	0.695	S	S	*	*			trans	-50.5	110.7	162.6	-24.3	34	0	0	0	106.9	W100	P98-W100 PolarHBondContact O-N 2.76Å
99	S	57.1	Low	54	Low	123 Å²	123	125 Å²	125	86%	0.86	69%	0.687	S	S	*	*	S	Bend	trans	-65.4	81.6	177.5	-179.1	0	0	0	0	107.8	T97	T97-S99 VanDerWaalsContact C-N 3.33Å; T97-S99 PolarHBondContact O-N 2.86Å
100	W	53.3	Low	55	Low	207 Å²	207	124.4 Å²	124.4	78%	0.784	67%	0.674	S	S	*	*			trans	-166.7	46.3	166.6	71.6	-42	0	0	0	112.4	P98	P98-W100 PolarHBondContact O-N 2.76Å
101	K	46	Very low	55.4	Low	179 Å²	179	122 Å²	122	78%	0.778	66%	0.656	S	S	*	*	S	Bend	trans	-129.6	-2.9	155.5	-73.1	-165.4	179.4	-177.3	0	114.8	A103 N104	K101-A103 PolarHBondContact O-N 2.76Å; K101-N104 PolarHBondContact O-OD1 3.48Å; K101-N104 VanDerWaalsContact O-OD1 3.09Å
102	S	51.8	Low	56.4	Low	95 Å²	95	120.2 Å²	120.2	66%	0.664	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	5.8	169.9	-62.4	0	0	0	0	114.2	N104	S102-N104 PolarHBondContact O-N 3.34Å
103	A	54.9	Low	57.6	Low	70 Å²	70	118 Å²	118	58%	0.579	63%	0.632	S	S	*	*	H	α-helix	trans	-68.6	-5.7	170.4	0	0	0	0	0	113.2	K101 T107	K101-A103 PolarHBondContact O-N 2.76Å; A103-T107 WeakPolarHBondContact O-CB 3.4Å; A103-T107 PolarHBondContact O-OG1 2.69Å
104	N	50.8	Low	59	Low	108 Å²	108	112.7 Å²	112.7	58%	0.578	61%	0.613	S	S	*	*	H	α-helix	trans	-89.8	-20.6	178.4	66.2	-7.3	0	0	0	114	K101 S102 T108	K101-N104 PolarHBondContact O-OD1 3.48Å; K101-N104 VanDerWaalsContact O-OD1 3.09Å; S102-N104 PolarHBondContact O-N 3.34Å; N104-T108 WeakPolarHBondContact O-CB 3.03Å; N104-T108 PolarHBondContact O-N 3.49Å; N104-T108 PolarHBondContact O-OG1 3.47Å
105	E	57.7	Low	60.4	Low	150 Å²	150	114.5 Å²	114.5	70%	0.701	61%	0.61	S	S	*	*	H	α-helix	trans	-87.9	-45.4	-176.2	-155.7	157.6	-158.6	0	0	112.3	T108 R109	E105-T108 PolarHBondContact O-N 3.07Å; E105-R109 PolarHBondContact O-N 2.83Å; E105-R109 VanDerWaalsContact O-N 3.16Å
106	T	64.4	Low	61.4	Low	94 Å²	94	112.2 Å²	112.2	58%	0.577	61%	0.611	S	S	*	*	H	α-helix	trans	-67.9	-39.3	175.1	-49.5	0	0	0	0	111.9	T108 R109 I110	T106-T108 PolarHBondContact O-N 3.16Å; T106-R109 PolarHBondContact O-N 2.73Å; T106-I110 HydrophobicContact CG2-CD1 3.91Å; T106-I110 HydrophobicContact CG2-CG1 4.41Å; T106-I110 WeakPolarHBondContact O-CG1 3.27Å; T106-I110 PolarHBondContact O-N 2.98Å
107	T	72.8	Confident	62.8	Low	71 Å²	71	111.4 Å²	111.4	44%	0.436	61%	0.606	S	S	.	*	H	α-helix	trans	-63.3	-41.5	176.3	-58.8	0	0	0	0	111.2	A103 R109 I110 I111	A103-T107 WeakPolarHBondContact O-CB 3.4Å; A103-T107 PolarHBondContact O-OG1 2.69Å; T107-R109 VanDerWaalsContact C-N 3.33Å; T107-R109 PolarHBondContact O-N 2.8Å; T107-I110 PolarHBondContact O-N 2.01Å; T107-I111 HydrophobicContact CG2-CD1 3.55Å; T107-I111 HydrophobicContact CG2-CG1 4.21Å; T107-I111 WeakPolarHBondContact O-CB 3.08Å; T107-I111 WeakPolarHBondContact O-CD1 2.98Å; T107-I111 WeakPolarHBondContact O-CG1 3.43Å; T107-I111 PolarHBondContact O-N 3.44Å
108	T	71.6	Confident	63.7	Low	84 Å²	84	111.1 Å²	111.1	52%	0.515	61%	0.609	S	S	.	*	H	α-helix	trans	-63.4	-38.7	176.7	-59.5	0	0	0	0	111.8	N104 E105 T106 T112	N104-T108 WeakPolarHBondContact O-CB 3.03Å; N104-T108 PolarHBondContact O-N 3.49Å; N104-T108 PolarHBondContact O-OG1 3.47Å; E105-T108 PolarHBondContact O-N 3.07Å; T106-T108 PolarHBondContact O-N 3.16Å; T108-T112 PolarHBondContact O-N 2.98Å; T108-T112 PolarHBondContact O-OG1 3.42Å
109	R	75.3	Confident	64.2	Low	185 Å²	185	114.6 Å²	114.6	70%	0.698	62%	0.616	S	S	*	*	H	α-helix	trans	-69.9	-41.2	176.4	-157.8	178.3	-169.8	-160.9	3.2	112.9	E105 T106 T107 T112 I113	E105-R109 PolarHBondContact O-N 2.83Å; E105-R109 VanDerWaalsContact O-N 3.16Å; T106-R109 PolarHBondContact O-N 2.73Å; T107-R109 VanDerWaalsContact C-N 3.33Å; T107-R109 PolarHBondContact O-N 2.8Å; R109-T112 WeakPolarHBondContact CA-OG1 3.43Å; R109-T112 PolarHBondContact O-N 3.47Å; R109-T112 PolarHBondContact O-OG1 2.95Å; R109-I113 HydrophobicContact CG-CD1 4.11Å; R109-I113 WeakPolarHBondContact O-CD1 3Å; R109-I113 VanDerWaalsContact O-CG1 3.25Å; R109-I113 WeakPolarHBondContact O-CG1 3.48Å; R109-I113 PolarHBondContact O-N 3.23Å; R109-I113 VanDerWaalsContact O-N 3.07Å
110	I	69.9	Low	64.2	Low	99 Å²	99	118.1 Å²	118.1	51%	0.508	62%	0.616	S	S	.	*	H	α-helix	trans	-65	-43.5	175.5	-67.5	170.4	0	0	0	110.3	T106 T107 T112 I113 T114	T106-I110 HydrophobicContact CG2-CD1 3.91Å; T106-I110 HydrophobicContact CG2-CG1 4.41Å; T106-I110 WeakPolarHBondContact O-CG1 3.27Å; T106-I110 PolarHBondContact O-N 2.98Å; T107-I110 PolarHBondContact O-N 2.01Å; I110-T112 VanDerWaalsContact C-N 3.3Å; I110-T112 PolarHBondContact O-N 3.41Å; I110-I113 PolarHBondContact O-N 3.13Å; I110-T114 HydrophobicContact CG2-CG2 4.42Å; I110-T114 WeakPolarHBondContact O-CG2 3.29Å; I110-T114 PolarHBondContact O-N 3.44Å; I110-T114 PolarHBondContact O-OG1 3.49Å; I110-T114 VanDerWaalsContact O-OG1 3.07Å
111	I	68.7	Low	64	Low	75 Å²	75	121.1 Å²	121.1	39%	0.385	63%	0.634	S	S	.	*	H	α-helix	trans	-62	-36.2	177.5	-70	168.4	0	0	0	111.9	T107 T114 K115	T107-I111 HydrophobicContact CG2-CD1 3.55Å; T107-I111 HydrophobicContact CG2-CG1 4.21Å; T107-I111 WeakPolarHBondContact O-CB 3.08Å; T107-I111 WeakPolarHBondContact O-CD1 2.98Å; T107-I111 WeakPolarHBondContact O-CG1 3.43Å; T107-I111 PolarHBondContact O-N 3.44Å; I111-T114 PolarHBondContact O-OG1 3.5Å; I111-K115 HydrophobicContact CG2-CD 4.22Å; I111-K115 WeakPolarHBondContact O-CB 3.44Å; I111-K115 VanDerWaalsContact O-CG 3.27Å; I111-K115 WeakPolarHBondContact O-CG 3.1Å; I111-K115 PolarHBondContact O-N 3.1Å
112	T	72.2	Confident	64.9	Low	80 Å²	80	118.3 Å²	118.3	49%	0.491	63%	0.627	S	S	.	*	H	α-helix	trans	-74.9	-37.3	178.8	37.4	0	0	0	0	112.6	T108 R109 I110 K115 S116	T108-T112 PolarHBondContact O-N 2.98Å; T108-T112 PolarHBondContact O-OG1 3.42Å; R109-T112 WeakPolarHBondContact CA-OG1 3.43Å; R109-T112 PolarHBondContact O-N 3.47Å; R109-T112 PolarHBondContact O-OG1 2.95Å; I110-T112 VanDerWaalsContact C-N 3.3Å; I110-T112 PolarHBondContact O-N 3.41Å; T112-K115 PolarHBondContact O-N 3.33Å; T112-S116 PolarHBondContact O-N 3.5Å
113	I	72.9	Confident	65.6	Low	93 Å²	93	119.5 Å²	119.5	48%	0.477	63%	0.625	S	S	.	*	H	α-helix	trans	-67.7	-39.7	176.3	-67.4	166.2	0	0	0	111.7	R109 I110 K115 S116 T117	R109-I113 HydrophobicContact CG-CD1 4.11Å; R109-I113 WeakPolarHBondContact O-CD1 3Å; R109-I113 VanDerWaalsContact O-CG1 3.25Å; R109-I113 WeakPolarHBondContact O-CG1 3.48Å; R109-I113 PolarHBondContact O-N 3.23Å; R109-I113 VanDerWaalsContact O-N 3.07Å; I110-I113 PolarHBondContact O-N 3.13Å; I113-K115 VanDerWaalsContact C-N 3.34Å; I113-S116 PolarHBondContact O-N 3.27Å; I113-S116 PolarHBondContact O-OG 3.42Å; I113-T117 PolarHBondContact O-N 3.49Å; I113-T117 PolarHBondContact O-OG1 3.38Å
114	T	81	Confident	66.2	Low	78 Å²	78	122.2 Å²	122.2	48%	0.479	63%	0.628	S	S	.	*	H	α-helix	trans	-70.4	-32.1	177.3	54.1	0	0	0	0	112.2	I110 I111 T117 S118	I110-T114 HydrophobicContact CG2-CG2 4.42Å; I110-T114 WeakPolarHBondContact O-CG2 3.29Å; I110-T114 PolarHBondContact O-N 3.44Å; I110-T114 PolarHBondContact O-OG1 3.49Å; I110-T114 VanDerWaalsContact O-OG1 3.07Å; I111-T114 PolarHBondContact O-OG1 3.5Å; T114-T117 PolarHBondContact O-OG1 3.43Å; T114-S118 PolarHBondContact O-N 2.93Å
115	K	75.6	Confident	67.1	Low	143 Å²	143	123.1 Å²	123.1	62%	0.622	63%	0.631	S	S	*	*	H	α-helix	trans	-67.4	-36.5	173.6	-77	176.5	-178.8	-178.8	0	113.3	I111 T112 I113	I111-K115 HydrophobicContact CG2-CD 4.22Å; I111-K115 WeakPolarHBondContact O-CB 3.44Å; I111-K115 VanDerWaalsContact O-CG 3.27Å; I111-K115 WeakPolarHBondContact O-CG 3.1Å; I111-K115 PolarHBondContact O-N 3.1Å; T112-K115 PolarHBondContact O-N 3.33Å; I113-K115 VanDerWaalsContact C-N 3.34Å
116	S	68.9	Low	67.7	Low	86 Å²	86	121.4 Å²	121.4	60%	0.601	63%	0.626	S	S	*	*	H	α-helix	trans	-73.9	-25.2	-179.8	61.7	0	0	0	0	113.6	T112 I113	T112-S116 PolarHBondContact O-N 3.5Å; I113-S116 PolarHBondContact O-N 3.27Å; I113-S116 PolarHBondContact O-OG 3.42Å
117	T	65.9	Low	67.9	Low	103 Å²	103	123.2 Å²	123.2	63%	0.632	63%	0.63	S	S	*	*	H	α-helix	trans	-82.5	-23.2	178.7	37.5	0	0	0	0	113.7	I113 T114	I113-T117 PolarHBondContact O-N 3.49Å; I113-T117 PolarHBondContact O-OG1 3.38Å; T114-T117 PolarHBondContact O-OG1 3.43Å
118	S	59.2	Low	67.6	Low	105 Å²	105	126.9 Å²	126.9	73%	0.734	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-7.9	-178.4	-155	0	0	0	0	115.3	T114	T114-S118 PolarHBondContact O-N 2.93Å
119	Q	59.1	Low	67.3	Low	178 Å²	178	130.2 Å²	130.2	83%	0.832	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	17.6	178.7	-67.1	-158.5	-58.1	0	0	114.3
120	K	56.3	Low	66.6	Low	198 Å²	198	125.7 Å²	125.7	86%	0.861	65%	0.65	S	S	*	*			trans	-120.8	66.9	172	-157.5	173.5	-175.1	178.3	0	111.8
121	K	49.5	Very low	66.3	Low	270 Å²	270	128.1 Å²	128.1	100%	1.174	66%	0.662	S	S	*	*			trans	-141	0	149.7	-176.9	168	-175.9	-76.3	0	107.3

Retrieved 121 of 121 residues in 32.9 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).