A0A096MVZ2_PAPAN Loading...

NADH:ubiquinone oxidoreductase complex assembly factor 2

AlphaFold DB , UniProt , Accession A0A096MVZ2, Species PAPAN (Papio anubis, Olive baboon), Gene NDUFAF2, Length 169 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.4	Low	59.8	Low	234 Å²	234	124.6 Å²	124.6	100%	1.153	62%	0.618	S	S	*	*				0	52.4	0	-69.3	-78.9	-136	0	0	111.1
2	G	58.1	Low	59.6	Low	34 Å²	34	125.8 Å²	125.8	35%	0.351	61%	0.611	S	S	.	*			trans	-122.3	-26.2	-176	0	0	0	0	0	114.8	S4 Q5	G2-S4 PolarHBondContact O-N 2.77Å; G2-Q5 PolarHBondContact O-N 2.77Å
3	W	55.5	Low	59.5	Low	226 Å²	226	132.4 Å²	132.4	86%	0.856	63%	0.625	S	S	*	*	H	α-helix	trans	-68.5	-29.9	-173.6	-70.8	1.7	0	0	0	114.6	L7	W3-L7 VanDerWaalsContact O-CG 3.32Å; W3-L7 WeakPolarHBondContact O-CG 3.27Å; W3-L7 PolarHBondContact O-N 2.95Å; W3-L7 VanDerWaalsContact O-N 3.17Å
4	S	60.2	Low	59.2	Low	72 Å²	72	128.7 Å²	128.7	50%	0.503	62%	0.621	S	S	.	*	H	α-helix	trans	-69.6	-33.1	179.1	54.9	0	0	0	0	112.6	G2 F8	G2-S4 PolarHBondContact O-N 2.77Å; S4-F8 WeakPolarHBondContact O-CB 3.27Å; S4-F8 WeakPolarHBondContact O-CD2 3.24Å; S4-F8 PolarHBondContact O-N 3.24Å
5	Q	64	Low	58.7	Low	135 Å²	135	128.7 Å²	128.7	63%	0.631	62%	0.624	S	S	*	*	H	α-helix	trans	-71.1	-37.7	177.7	-68.2	-173.6	-6.4	0	0	112	G2 F8 R9	G2-Q5 PolarHBondContact O-N 2.77Å; Q5-F8 PolarHBondContact O-N 3.35Å; Q5-R9 WeakPolarHBondContact O-CB 3.45Å; Q5-R9 VanDerWaalsContact O-CG 3.29Å; Q5-R9 WeakPolarHBondContact O-CG 3.34Å; Q5-R9 PolarHBondContact O-N 2.96Å
6	D	65.1	Low	58.4	Low	92 Å²	92	124 Å²	124	49%	0.492	61%	0.609	S	S	.	*	H	α-helix	trans	-69.9	-38.4	177.7	-70.2	-39.9	0	0	0	112.1	R9 A10	D6-R9 PolarHBondContact O-N 3.44Å; D6-A10 WeakPolarHBondContact O-CB 3.38Å; D6-A10 PolarHBondContact O-N 3.08Å
7	L	66.8	Low	58.3	Low	109 Å²	109	129.4 Å²	129.4	57%	0.571	62%	0.621	S	S	*	*	H	α-helix	trans	-67.1	-41.6	172.3	-67.6	173.5	0	0	0	111.6	W3 R9 A10 L11	W3-L7 VanDerWaalsContact O-CG 3.32Å; W3-L7 WeakPolarHBondContact O-CG 3.27Å; W3-L7 PolarHBondContact O-N 2.95Å; W3-L7 VanDerWaalsContact O-N 3.17Å; L7-R9 VanDerWaalsContact C-N 3.34Å; L7-R9 PolarHBondContact O-N 2.88Å; L7-A10 PolarHBondContact O-N 3.49Å; L7-L11 WeakPolarHBondContact O-CB 3.41Å; L7-L11 WeakPolarHBondContact O-CD1 3.48Å; L7-L11 PolarHBondContact O-N 3.01Å
8	F	58.2	Low	58.6	Low	144 Å²	144	125.3 Å²	125.3	63%	0.632	60%	0.601	S	S	*	*	H	α-helix	trans	-64.3	-37.2	173.4	-101.3	-87.7	0	0	0	112.3	S4 Q5 W12	S4-F8 WeakPolarHBondContact O-CB 3.27Å; S4-F8 WeakPolarHBondContact O-CD2 3.24Å; S4-F8 PolarHBondContact O-N 3.24Å; Q5-F8 PolarHBondContact O-N 3.35Å; F8-W12 WeakPolarHBondContact O-CB 3.42Å; F8-W12 PolarHBondContact O-N 3.43Å
9	R	59.9	Low	59.4	Low	171 Å²	171	124.5 Å²	124.5	65%	0.645	60%	0.604	S	S	*	*	H	α-helix	trans	-68.2	-38.7	173.3	-76.8	175.3	88.9	-142	7.9	111.6	Q5 D6 L7 W12 R13	Q5-R9 WeakPolarHBondContact O-CB 3.45Å; Q5-R9 VanDerWaalsContact O-CG 3.29Å; Q5-R9 WeakPolarHBondContact O-CG 3.34Å; Q5-R9 PolarHBondContact O-N 2.96Å; D6-R9 PolarHBondContact O-N 3.44Å; L7-R9 VanDerWaalsContact C-N 3.34Å; L7-R9 PolarHBondContact O-N 2.88Å; R9-W12 PolarHBondContact O-N 2.93Å; R9-R13 VanDerWaalsContact O-CB 3.3Å; R9-R13 WeakPolarHBondContact O-CB 3.43Å; R9-R13 WeakPolarHBondContact O-CG 3.32Å; R9-R13 PolarHBondContact O-N 2.94Å
10	A	61.1	Low	60.7	Low	54 Å²	54	123 Å²	123	45%	0.446	59%	0.594	S	S	.	*	H	α-helix	trans	-66.9	-44.7	175.9	0	0	0	0	0	111.6	D6 L7 R13 S14	D6-A10 WeakPolarHBondContact O-CB 3.38Å; D6-A10 PolarHBondContact O-N 3.08Å; L7-A10 PolarHBondContact O-N 3.49Å; A10-R13 PolarHBondContact O-N 3.02Å; A10-S14 PolarHBondContact O-N 3.32Å
11	L	57.6	Low	62.1	Low	100 Å²	100	122 Å²	122	52%	0.524	59%	0.589	S	S	.	*	H	α-helix	trans	-64.2	-42	172.3	-98.4	110.2	0	0	0	111.9	L7 R13 S14 L15	L7-L11 WeakPolarHBondContact O-CB 3.41Å; L7-L11 WeakPolarHBondContact O-CD1 3.48Å; L7-L11 PolarHBondContact O-N 3.01Å; L11-R13 VanDerWaalsContact C-N 3.3Å; L11-R13 PolarHBondContact O-N 3.2Å; L11-S14 PolarHBondContact O-N 3.46Å; L11-S14 PolarHBondContact O-OG 2.95Å; L11-L15 HydrophobicContact CB-CD1 4.41Å; L11-L15 HydrophobicContact CD2-CD1 4.13Å; L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 WeakPolarHBondContact O-CD1 3.44Å; L11-L15 VanDerWaalsContact O-CG 3.24Å; L11-L15 WeakPolarHBondContact O-CG 3.42Å; L11-L15 PolarHBondContact O-N 3.24Å
12	W	57.6	Low	64	Low	139 Å²	139	115.8 Å²	115.8	53%	0.527	56%	0.557	S	S	.	*	H	α-helix	trans	-66.7	-32.1	174.6	-98.9	75.5	0	0	0	111.8	F8 R9 S16	F8-W12 WeakPolarHBondContact O-CB 3.42Å; F8-W12 PolarHBondContact O-N 3.43Å; R9-W12 PolarHBondContact O-N 2.93Å; W12-S16 WeakPolarHBondContact O-CA 3.4Å; W12-S16 WeakPolarHBondContact O-CB 3.42Å; W12-S16 PolarHBondContact O-N 2.74Å; W12-S16 PolarHBondContact O-OG 3.25Å
13	R	57.9	Low	65.7	Low	211 Å²	211	116.5 Å²	116.5	80%	0.796	56%	0.555	S	S	*	*	H	α-helix	trans	-70.6	-31.6	173	-77	171.4	80.1	-169.2	5.2	112.5	R9 A10 L11	R9-R13 VanDerWaalsContact O-CB 3.3Å; R9-R13 WeakPolarHBondContact O-CB 3.43Å; R9-R13 WeakPolarHBondContact O-CG 3.32Å; R9-R13 PolarHBondContact O-N 2.94Å; A10-R13 PolarHBondContact O-N 3.02Å; L11-R13 VanDerWaalsContact C-N 3.3Å; L11-R13 PolarHBondContact O-N 3.2Å
14	S	55.6	Low	67.4	Low	81 Å²	81	106.4 Å²	106.4	57%	0.566	52%	0.521	S	S	*	.	H	α-helix	trans	-81.1	-32.9	175.9	69.5	0	0	0	0	113	A10 L11	A10-S14 PolarHBondContact O-N 3.32Å; L11-S14 PolarHBondContact O-N 3.46Å; L11-S14 PolarHBondContact O-OG 2.95Å
15	L	51.5	Low	69	Low	128 Å²	128	106.3 Å²	106.3	67%	0.67	52%	0.517	S	S	*	.	H	α-helix	trans	-86.4	-33.7	179.1	-69.7	164.7	0	0	0	113.1	L11 R17	L11-L15 HydrophobicContact CB-CD1 4.41Å; L11-L15 HydrophobicContact CD2-CD1 4.13Å; L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 WeakPolarHBondContact O-CD1 3.44Å; L11-L15 VanDerWaalsContact O-CG 3.24Å; L11-L15 WeakPolarHBondContact O-CG 3.42Å; L11-L15 PolarHBondContact O-N 3.24Å; L15-R17 PolarHBondContact O-N 3.44Å
16	S	54.3	Low	70.2	Confident	54 Å²	54	100.1 Å²	100.1	38%	0.378	49%	0.488	S	S	.	.	S	Bend	trans	-80.3	61.3	167.8	-45.1	0	0	0	0	108.2	W12 E18	W12-S16 WeakPolarHBondContact O-CA 3.4Å; W12-S16 WeakPolarHBondContact O-CB 3.42Å; W12-S16 PolarHBondContact O-N 2.74Å; W12-S16 PolarHBondContact O-OG 3.25Å; S16-E18 PolarHBondContact O-N 3.48Å
17	R	56.2	Low	71.3	Confident	215 Å²	215	99.4 Å²	99.4	81%	0.811	48%	0.482	S	S	*	.			trans	-69.3	80.8	169	-163.3	173.6	167.4	-156.9	-4.7	105.6	L15 V19	L15-R17 PolarHBondContact O-N 3.44Å; R17-V19 PolarHBondContact O-N 2.89Å
18	E	63	Low	72.2	Confident	56 Å²	56	99.1 Å²	99.1	26%	0.262	48%	0.476	S	S	.	.			trans	-40.8	116.5	159.8	-87.6	171.9	157.3	0	0	104.8	S16 K20 I35 Y38	S16-E18 PolarHBondContact O-N 3.48Å; E18-K20 VanDerWaalsContact C-N 3.27Å; E18-K20 PolarHBondContact O-N 2.88Å; E18-I35 HydrophobicContact CB-CD1 4.07Å; E18-I35 HydrophobicContact CB-CG2 3.92Å; E18-I35 HydrophobicContact CG-CG2 3.97Å; E18-I35 WeakPolarHBondContact OE2-CD1 3.21Å; E18-Y38 HydrophobicContact CG-CE1 3.73Å; E18-Y38 WeakPolarHBondContact OE1-CE1 3.35Å; E18-Y38 PolarHBondContact OE1-OH 3.38Å
19	V	73.9	Confident	73.5	Confident	110 Å²	110	94 Å²	94	67%	0.667	46%	0.463	S	S	*	.			trans	-65.4	98.3	-176.2	177.5	0	0	0	0	105.9	R17 E21	R17-V19 PolarHBondContact O-N 2.89Å; V19-E21 PolarHBondContact O-N 3.41Å
20	K	85.5	Confident	75	Confident	94 Å²	94	86.5 Å²	86.5	41%	0.409	44%	0.437	S	S	.	.			trans	-74.5	110.3	175.6	-69.4	179.5	178.4	-179.6	0	106.9	E18 H22 Y33 I35 E53	E18-K20 VanDerWaalsContact C-N 3.27Å; E18-K20 PolarHBondContact O-N 2.88Å; K20-H22 PolarHBondContact O-N 2.7Å; K20-Y33 HydrophobicContact CB-CD1 3.82Å; K20-Y33 HydrophobicContact CB-CG 4.16Å; K20-Y33 HydrophobicContact CD-CG 4.46Å; K20-I35 HydrophobicContact CG-CD1 4.2Å; K20-I35 HydrophobicContact CG-CG1 4.1Å; K20-E53 IonicContact NZ-OE1 2.68Å; K20-E53 PolarHBondContact NZ-OE1 3.09Å
21	E	90.1	Very high	76.5	Confident	104 Å²	104	88.8 Å²	88.8	49%	0.486	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	119.1	172	-66.4	178.4	176.9	0	0	108.2	V19 V23 Y33 C34	V19-E21 PolarHBondContact O-N 3.41Å; E21-V23 PolarHBondContact O-N 2.9Å; E21-Y33 CarbonylContact O-C 3.52Å; E21-Y33 WeakPolarHBondContact O-CA 3.42Å; E21-C34 HydrophobicContact CB-CB 4.46Å; E21-C34 PolarHBondContact N-O 3.5Å; E21-C34 PolarHBondContact O-N 3.32Å
22	H	91.9	Very high	78.2	Confident	103 Å²	103	84 Å²	84	48%	0.477	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	117.1	175.2	176.3	-97	0	0	0	109.3	K20 G24 T25 Y33	K20-H22 PolarHBondContact O-N 2.7Å; H22-G24 PolarHBondContact NE2-O 3.04Å; H22-T25 WeakPolarHBondContact NE2-CG2 3.31Å; H22-Y33 HydrophobicContact CB-CD1 4.06Å; H22-Y33 HydrophobicContact CB-CE1 3.93Å; H22-Y33 AromaticContact CD2-CE1 3.88Å
23	V	93.3	Very high	79.9	Confident	49 Å²	49	79 Å²	79	30%	0.297	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-41.8	-175.4	-178.8	0	0	0	0	110.9	E21 Y32 C34 W71 W74 P82	E21-V23 PolarHBondContact O-N 2.9Å; V23-Y32 PolarHBondContact N-O 2.94Å; V23-C34 HydrophobicContact CG2-CB 3.66Å; V23-W71 HydrophobicContact CG1-CH2 4.25Å; V23-W71 HydrophobicContact CG1-CZ3 4.37Å; V23-W74 HydrophobicContact CB-CH2 4.13Å; V23-W74 HydrophobicContact CB-CZ2 4.35Å; V23-W74 HydrophobicContact CG1-CH2 4.25Å; V23-W74 HydrophobicContact CG1-CZ2 4.03Å; V23-W74 HydrophobicContact CG2-CH2 3.74Å; V23-W74 HydrophobicContact CG2-CZ2 3.91Å; V23-P82 HydrophobicContact CG1-CB 3.42Å; V23-P82 VanDerWaalsContact CG1-CB 3.42Å; V23-P82 HydrophobicContact CG1-CG 3.65Å
24	G	91.8	Very high	81.5	Confident	14 Å²	14	69.7 Å²	69.7	14%	0.144	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.5	174.1	-178.4	0	0	0	0	0	113.4	H22 Y32	H22-G24 PolarHBondContact NE2-O 3.04Å; G24-Y32 PolarHBondContact O-N 3.32Å
25	T	92.9	Very high	83.2	Confident	69 Å²	69	66 Å²	66	42%	0.423	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143.5	177.5	57.3	0	0	0	0	109.8	H22 N30 K31 M85	H22-T25 WeakPolarHBondContact NE2-CG2 3.31Å; T25-N30 VanDerWaalsContact CA-O 3.29Å; T25-N30 WeakPolarHBondContact CA-O 3.38Å; T25-K31 HydrophobicContact CG2-CG 4.02Å; T25-M85 WeakPolarHBondContact O-CE 3.43Å
26	D	90.3	Very high	85	Confident	6 Å²	6	62.4 Å²	62.4	3%	0.032	32%	0.318	C	S	.	.			trans	-95.6	168.5	177.9	179.2	43.7	0	0	0	112.8	F28 G29 N30 Y32 P68	D26-F28 PolarHBondContact O-N 3.4Å; D26-F28 WeakPolarHBondContact OD2-CD2 3.34Å; D26-G29 WeakPolarHBondContact O-CA 3.36Å; D26-G29 PolarHBondContact O-N 3.08Å; D26-N30 HydrophobicContact CB-CB 4.43Å; D26-N30 PolarHBondContact N-O 3.29Å; D26-Y32 HydrophobicContact CB-CE2 3.59Å; D26-P68 VanDerWaalsContact OD1-CG 3.24Å; D26-P68 WeakPolarHBondContact OD1-CG 3.49Å; D26-P68 WeakPolarHBondContact OD2-CD 3.48Å; D26-P68 WeakPolarHBondContact OD2-CG 3.43Å
27	Q	87.3	Confident	86.7	Confident	77 Å²	77	65.8 Å²	65.8	36%	0.36	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-29.7	176.4	66.9	-173.3	14.3	0	0	113.4	G29	Q27-G29 PolarHBondContact O-N 3.31Å
28	F	85.4	Confident	88.2	Confident	103 Å²	103	59.3 Å²	59.3	45%	0.452	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	0.2	174.6	-54.4	-59	0	0	0	113.6	D26 N30 D66 P68	D26-F28 PolarHBondContact O-N 3.4Å; D26-F28 WeakPolarHBondContact OD2-CD2 3.34Å; F28-N30 VanDerWaalsContact C-N 3.3Å; F28-D66 WeakPolarHBondContact CD2-O 3.49Å; F28-P68 HydrophobicContact CD2-CG 4.2Å; F28-P68 HydrophobicContact CE2-CG 3.98Å
29	G	87.3	Confident	89.4	Confident	35 Å²	35	64.4 Å²	64.4	36%	0.361	33%	0.325	S	S	.	.			trans	81.3	6.8	-178.1	0	0	0	0	0	114.5	D26 Q27	D26-G29 WeakPolarHBondContact O-CA 3.36Å; D26-G29 PolarHBondContact O-N 3.08Å; Q27-G29 PolarHBondContact O-N 3.31Å
30	N	90.8	Very high	89.8	Confident	15 Å²	15	61 Å²	61	8%	0.08	30%	0.303	C	S	.	.			trans	-67.2	138	174.5	-65.1	-33.9	0	0	0	110.4	T25 D26 F28 Y32 V52 G54 A55 D66	T25-N30 VanDerWaalsContact CA-O 3.29Å; T25-N30 WeakPolarHBondContact CA-O 3.38Å; D26-N30 HydrophobicContact CB-CB 4.43Å; D26-N30 PolarHBondContact N-O 3.29Å; F28-N30 VanDerWaalsContact C-N 3.3Å; N30-Y32 HydrophobicContact CB-CE2 3.84Å; N30-Y32 WeakPolarHBondContact O-CE2 3.39Å; N30-V52 HydrophobicContact CB-CG2 4.17Å; N30-G54 WeakPolarHBondContact OD1-CA 3.45Å; N30-A55 PolarHBondContact OD1-N 3.04Å; N30-A55 VanDerWaalsContact OD1-N 3.1Å; N30-D66 PolarHBondContact ND2-O 3.08Å
31	K	92.5	Very high	89.6	Confident	101 Å²	101	65 Å²	65	44%	0.439	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	132.3	-178.5	-59.6	-176.6	-179.4	178	0	110.3	T25 Y33 V52 E53	T25-K31 HydrophobicContact CG2-CG 4.02Å; K31-Y33 HydrophobicContact CB-CE2 3.62Å; K31-V52 WeakPolarHBondContact O-CA 3.46Å; K31-E53 PolarHBondContact N-O 3.25Å; K31-E53 PolarHBondContact O-N 3.4Å
32	Y	92.8	Very high	89.4	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132.5	-175.8	-61.8	-92	0	0	0	110.6	V23 G24 D26 N30 V52 I67 W71 I75	V23-Y32 PolarHBondContact N-O 2.94Å; G24-Y32 PolarHBondContact O-N 3.32Å; D26-Y32 HydrophobicContact CB-CE2 3.59Å; N30-Y32 HydrophobicContact CB-CE2 3.84Å; N30-Y32 WeakPolarHBondContact O-CE2 3.39Å; Y32-V52 HydrophobicContact CD1-CB 4.17Å; Y32-V52 HydrophobicContact CD1-CG2 4.09Å; Y32-V52 HydrophobicContact CE1-CB 4.05Å; Y32-V52 HydrophobicContact CE1-CG2 3.67Å; Y32-I67 HydrophobicContact CE1-CG2 4.41Å; Y32-W71 HydrophobicContact CD1-CB 4.39Å; Y32-W71 AromaticContact CD1-CD2 3.87Å; Y32-W71 HydrophobicContact CD1-CD2 3.87Å; Y32-W71 AromaticContact CD1-CE3 3.41Å; Y32-W71 HydrophobicContact CD1-CE3 3.41Å; Y32-W71 VanDerWaalsContact CD1-CE3 3.41Å; Y32-W71 HydrophobicContact CD1-CG 4.31Å; Y32-W71 AromaticContact CD1-CZ3 3.97Å; Y32-W71 HydrophobicContact CD1-CZ3 3.97Å; Y32-W71 AromaticContact CD2-CD2 3.59Å; Y32-W71 HydrophobicContact CD2-CD2 3.59Å; Y32-W71 AromaticContact CD2-CE2 3.66Å; Y32-W71 AromaticContact CD2-CE3 3.67Å; Y32-W71 HydrophobicContact CD2-CE3 3.67Å; Y32-W71 HydrophobicContact CD2-CG 4.24Å; Y32-W71 AromaticContact CD2-CH2 3.91Å; Y32-W71 HydrophobicContact CD2-CH2 3.91Å; Y32-W71 AromaticContact CD2-CZ2 3.83Å; Y32-W71 HydrophobicContact CD2-CZ2 3.83Å; Y32-W71 AromaticContact CD2-CZ3 3.83Å; Y32-W71 HydrophobicContact CD2-CZ3 3.83Å; Y32-W71 HydrophobicContact CE1-CB 3.63Å; Y32-W71 AromaticContact CE1-CD2 3.85Å; Y32-W71 HydrophobicContact CE1-CD2 3.85Å; Y32-W71 AromaticContact CE1-CE3 3.85Å; Y32-W71 HydrophobicContact CE1-CE3 3.85Å; Y32-W71 AromaticContact CE1-CG 3.8Å; Y32-W71 HydrophobicContact CE1-CG 3.8Å; Y32-W71 HydrophobicContact CE2-CB 4.41Å; Y32-W71 AromaticContact CE2-CD1 3.95Å; Y32-W71 AromaticContact CE2-CD2 3.62Å; Y32-W71 HydrophobicContact CE2-CD2 3.62Å; Y32-W71 AromaticContact CE2-CE2 3.76Å; Y32-W71 HydrophobicContact CE2-CE3 4.11Å; Y32-W71 AromaticContact CE2-CG 3.77Å; Y32-W71 HydrophobicContact CE2-CG 3.77Å; Y32-W71 HydrophobicContact CE2-CZ2 4.35Å; Y32-W71 AromaticContact CE2-NE1 3.94Å; Y32-W71 AromaticContact CG-CD2 3.73Å; Y32-W71 HydrophobicContact CG-CD2 3.73Å; Y32-W71 AromaticContact CG-CE3 3.3Å; Y32-W71 HydrophobicContact CG-CE3 3.3Å; Y32-W71 AromaticContact CG-CH2 3.94Å; Y32-W71 HydrophobicContact CG-CH2 3.94Å; Y32-W71 HydrophobicContact CG-CZ2 4.31Å; Y32-W71 AromaticContact CG-CZ3 3.43Å; Y32-W71 HydrophobicContact CG-CZ3 3.43Å; Y32-W71 VanDerWaalsContact CG-CZ3 3.43Å; Y32-W71 AromaticContact CZ-CD1 3.95Å; Y32-W71 AromaticContact CZ-CD2 3.72Å; Y32-W71 AromaticContact CZ-CG 3.49Å; Y32-W71 VanDerWaalsContact CZ-CG 3.49Å; Y32-I75 HydrophobicContact CD1-CD1 3.94Å; Y32-I75 HydrophobicContact CD1-CG1 4.36Å; Y32-I75 HydrophobicContact CE1-CD1 3.74Å
33	Y	93.3	Very high	89.1	Confident	34 Å²	34	65.4 Å²	65.4	13%	0.133	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143	-177.4	-57.3	-91.1	0	0	0	111.8	K20 E21 H22 K31 R50 I51 E53	K20-Y33 HydrophobicContact CB-CD1 3.82Å; K20-Y33 HydrophobicContact CB-CG 4.16Å; K20-Y33 HydrophobicContact CD-CG 4.46Å; E21-Y33 CarbonylContact O-C 3.52Å; E21-Y33 WeakPolarHBondContact O-CA 3.42Å; H22-Y33 HydrophobicContact CB-CD1 4.06Å; H22-Y33 HydrophobicContact CB-CE1 3.93Å; H22-Y33 AromaticContact CD2-CE1 3.88Å; K31-Y33 HydrophobicContact CB-CE2 3.62Å; Y33-R50 WeakPolarHBondContact O-CA 3.46Å; Y33-I51 PolarHBondContact N-O 3.47Å; Y33-I51 PolarHBondContact O-N 2.98Å; Y33-E53 HydrophobicContact CD2-CB 4.48Å; Y33-E53 HydrophobicContact CD2-CG 3.88Å; Y33-E53 HydrophobicContact CE2-CB 3.86Å; Y33-E53 HydrophobicContact CE2-CG 3.51Å; Y33-E53 WeakPolarHBondContact CE2-OE2 3.39Å; Y33-E53 VanDerWaalsContact CZ-OE2 3.25Å; Y33-E53 PolarHBondContact OH-OE2 3.42Å
34	C	92.4	Very high	88.8	Confident	16 Å²	16	68.9 Å²	68.9	11%	0.108	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	132.6	169.6	-177.2	0	0	0	0	109.1	E21 V23 W74	E21-C34 HydrophobicContact CB-CB 4.46Å; E21-C34 PolarHBondContact N-O 3.5Å; E21-C34 PolarHBondContact O-N 3.32Å; V23-C34 HydrophobicContact CG2-CB 3.66Å; C34-W74 HydrophobicContact CB-CH2 4.27Å; C34-W74 HydrophobicContact CB-CZ2 4.37Å
35	I	91.1	Very high	88.6	Confident	3 Å²	3	71.6 Å²	71.6	2%	0.015	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	111.5	169.3	-60.3	179.8	0	0	0	105.9	E18 K20 Y38 E48 K49 I51	E18-I35 HydrophobicContact CB-CD1 4.07Å; E18-I35 HydrophobicContact CB-CG2 3.92Å; E18-I35 HydrophobicContact CG-CG2 3.97Å; E18-I35 WeakPolarHBondContact OE2-CD1 3.21Å; K20-I35 HydrophobicContact CG-CD1 4.2Å; K20-I35 HydrophobicContact CG-CG1 4.1Å; I35-Y38 HydrophobicContact CG2-CE1 4.31Å; I35-E48 CarbonylContact O-C 3.54Å; I35-E48 WeakPolarHBondContact O-CA 3.42Å; I35-E48 WeakPolarHBondContact O-CG 3.33Å; I35-K49 HydrophobicContact CB-CB 4.24Å; I35-K49 PolarHBondContact N-O 3.33Å; I35-K49 PolarHBondContact O-N 3.44Å; I35-I51 HydrophobicContact CD1-CD1 3.46Å; I35-I51 VanDerWaalsContact CD1-CD1 3.46Å; I35-I51 HydrophobicContact CD1-CG1 4.38Å; I35-I51 HydrophobicContact CG1-CD1 4.38Å
36	P	89.7	Confident	88.4	Confident	53 Å²	53	70.1 Å²	70.1	34%	0.344	34%	0.342	S	S	.	.			trans	-65.4	159.9	-178.3	26.9	-33.7	0	0	0	111	Y38	P36-Y38 PolarHBondContact O-N 2.96Å
37	Q	90.3	Very high	88.3	Confident	125 Å²	125	79.3 Å²	79.3	58%	0.584	38%	0.376	S	S	*	.			trans	-62.2	128.4	173.7	168.6	172.3	-13.4	0	0	110.2	T45 I46	Q37-T45 HydrophobicContact CG-CG2 3.85Å; Q37-I46 WeakPolarHBondContact CA-O 3.5Å; Q37-I46 WeakPolarHBondContact CG-O 3.24Å
38	Y	86.4	Confident	88.5	Confident	79 Å²	79	78.4 Å²	78.4	31%	0.31	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	160.9	176.4	70	-83.3	0	0	0	111.1	E18 I35 P36 N40 I46	E18-Y38 HydrophobicContact CG-CE1 3.73Å; E18-Y38 WeakPolarHBondContact OE1-CE1 3.35Å; E18-Y38 PolarHBondContact OE1-OH 3.38Å; I35-Y38 HydrophobicContact CG2-CE1 4.31Å; P36-Y38 PolarHBondContact O-N 2.96Å; Y38-N40 WeakPolarHBondContact CE2-OD1 3.45Å; Y38-I46 HydrophobicContact CD1-CB 4.45Å; Y38-I46 HydrophobicContact CE1-CB 4.08Å; Y38-I46 HydrophobicContact CE1-CD1 4.23Å; Y38-I46 HydrophobicContact CE1-CG2 3.96Å; Y38-I46 HydrophobicContact CE2-CD1 4Å; Y38-I46 PolarHBondContact N-O 3.28Å; Y38-I46 PolarHBondContact O-N 3Å; Y38-I46 VanDerWaalsContact OH-CD1 3.23Å; Y38-I46 WeakPolarHBondContact OH-CD1 3.5Å
39	K	87.9	Confident	88.7	Confident	163 Å²	163	77.9 Å²	77.9	71%	0.709	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.8	176.4	-67.5	-174.7	179.2	-179.4	0	108.9
40	N	83.6	Confident	89	Confident	38 Å²	38	77.9 Å²	77.9	20%	0.203	36%	0.359	C	S	.	.			trans	-66.4	160	170.4	-74.1	-25.9	0	0	0	110.6	Y38 R42 G43 Q44 I46	Y38-N40 WeakPolarHBondContact CE2-OD1 3.45Å; N40-R42 PolarHBondContact O-N 3.24Å; N40-R42 VanDerWaalsContact O-N 3.09Å; N40-G43 PolarHBondContact O-N 3.28Å; N40-Q44 HydrophobicContact CB-CB 4.42Å; N40-Q44 PolarHBondContact N-O 2.88Å; N40-I46 WeakPolarHBondContact ND2-CD1 3.31Å; N40-I46 WeakPolarHBondContact OD1-CD1 3.46Å
41	W	79.7	Confident	89	Confident	177 Å²	177	79.9 Å²	79.9	67%	0.67	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-23.1	169	62.8	-92.1	0	0	0	113.4	G43	W41-G43 VanDerWaalsContact C-N 3.28Å; W41-G43 PolarHBondContact O-N 3.45Å
42	R	86.6	Confident	88.9	Confident	161 Å²	161	77.4 Å²	77.4	61%	0.608	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	8.1	173	-63.8	-175.4	-122.5	-106.8	-0.2	114.3	N40 Q44	N40-R42 PolarHBondContact O-N 3.24Å; N40-R42 VanDerWaalsContact O-N 3.09Å; R42-Q44 PolarHBondContact O-N 3.36Å; R42-Q44 VanDerWaalsContact O-N 3.11Å
43	G	86.4	Confident	88.7	Confident	56 Å²	56	80.6 Å²	80.6	58%	0.577	38%	0.377	S	S	*	.	S	Bend	trans	72.5	-2.4	-178	0	0	0	0	0	115.4	N40 W41	N40-G43 PolarHBondContact O-N 3.28Å; W41-G43 VanDerWaalsContact C-N 3.28Å; W41-G43 PolarHBondContact O-N 3.45Å
44	Q	86.4	Confident	88.3	Confident	121 Å²	121	81.1 Å²	81.1	57%	0.565	39%	0.393	S	S	*	.			trans	-70.1	131.1	174.6	-67.5	178.3	-13.2	0	0	110.4	N40 R42	N40-Q44 HydrophobicContact CB-CB 4.42Å; N40-Q44 PolarHBondContact N-O 2.88Å; R42-Q44 PolarHBondContact O-N 3.36Å; R42-Q44 VanDerWaalsContact O-N 3.11Å
45	T	87.8	Confident	87.6	Confident	71 Å²	71	82.9 Å²	82.9	44%	0.436	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	110.2	178.3	-60.5	0	0	0	0	109.4	Q37	Q37-T45 HydrophobicContact CG-CG2 3.85Å
46	I	87.6	Confident	86.8	Confident	39 Å²	39	89.2 Å²	89.2	20%	0.2	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	124.2	175.3	-69.5	177.3	0	0	0	108	Q37 Y38 N40	Q37-I46 WeakPolarHBondContact CA-O 3.5Å; Q37-I46 WeakPolarHBondContact CG-O 3.24Å; Y38-I46 HydrophobicContact CD1-CB 4.45Å; Y38-I46 HydrophobicContact CE1-CB 4.08Å; Y38-I46 HydrophobicContact CE1-CD1 4.23Å; Y38-I46 HydrophobicContact CE1-CG2 3.96Å; Y38-I46 HydrophobicContact CE2-CD1 4Å; Y38-I46 PolarHBondContact N-O 3.28Å; Y38-I46 PolarHBondContact O-N 3Å; Y38-I46 VanDerWaalsContact OH-CD1 3.23Å; Y38-I46 WeakPolarHBondContact OH-CD1 3.5Å; N40-I46 WeakPolarHBondContact ND2-CD1 3.31Å; N40-I46 WeakPolarHBondContact OD1-CD1 3.46Å
47	R	89.9	Confident	85.6	Confident	198 Å²	198	96.3 Å²	96.3	75%	0.747	47%	0.468	S	S	*	.			trans	-64.2	150.4	176	-63.2	-178.9	179.4	177.5	-0.7	110.1	K49	R47-K49 PolarHBondContact O-N 3.38Å
48	E	90.1	Very high	84.6	Confident	59 Å²	59	97.6 Å²	97.6	28%	0.276	47%	0.471	S	S	.	.			trans	-43.7	139.4	170.2	-177.3	-164.2	143.1	0	0	110.2	I35 R50 R77	I35-E48 CarbonylContact O-C 3.54Å; I35-E48 WeakPolarHBondContact O-CA 3.42Å; I35-E48 WeakPolarHBondContact O-CG 3.33Å; E48-R50 IonicContact OE1-CZ 3.75Å; E48-R50 IonicContact OE1-NE 2.87Å; E48-R50 PolarHBondContact OE1-NE 3.48Å; E48-R50 IonicContact OE1-NH2 2.76Å; E48-R50 PolarHBondContact OE1-NH2 2.93Å; E48-R77 PolarHBondContact O-NH1 3.44Å; E48-R77 PolarHBondContact O-NH2 2.96Å
49	K	90.8	Very high	83.5	Confident	91 Å²	91	102.9 Å²	102.9	40%	0.396	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	144.9	174.3	-70.9	177.6	-179	170.4	0	109.9	I35 R47	I35-K49 HydrophobicContact CB-CB 4.24Å; I35-K49 PolarHBondContact N-O 3.33Å; I35-K49 PolarHBondContact O-N 3.44Å; R47-K49 PolarHBondContact O-N 3.38Å
50	R	93.1	Very high	82.6	Confident	35 Å²	35	101.6 Å²	101.6	13%	0.132	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.3	175.5	-63.7	173.4	-171.7	-173.2	-5.2	107.5	Y33 E48 W74 R79	Y33-R50 WeakPolarHBondContact O-CA 3.46Å; E48-R50 IonicContact OE1-CZ 3.75Å; E48-R50 IonicContact OE1-NE 2.87Å; E48-R50 PolarHBondContact OE1-NE 3.48Å; E48-R50 IonicContact OE1-NH2 2.76Å; E48-R50 PolarHBondContact OE1-NH2 2.93Å; R50-W74 HydrophobicContact CB-CE3 4.37Å; R50-W74 HydrophobicContact CB-CH2 4.12Å; R50-W74 HydrophobicContact CB-CZ3 3.92Å; R50-W74 WeakPolarHBondContact CD-O 3.38Å; R50-W74 HydrophobicContact CG-CE3 4.46Å; R50-W74 HydrophobicContact CG-CH2 3.85Å; R50-W74 HydrophobicContact CG-CZ2 4.02Å; R50-W74 HydrophobicContact CG-CZ3 4.08Å; R50-W74 PolarHBondContact NH1-O 3.11Å; R50-R79 PolarHBondContact NH1-O 2.93Å
51	I	90.5	Very high	82	Confident	58 Å²	58	103.9 Å²	103.9	30%	0.297	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.3	-171.9	-54.6	-177.8	0	0	0	108.6	Y33 I35	Y33-I51 PolarHBondContact N-O 3.47Å; Y33-I51 PolarHBondContact O-N 2.98Å; I35-I51 HydrophobicContact CD1-CD1 3.46Å; I35-I51 VanDerWaalsContact CD1-CD1 3.46Å; I35-I51 HydrophobicContact CD1-CG1 4.38Å; I35-I51 HydrophobicContact CG1-CD1 4.38Å
52	V	90.4	Very high	81.7	Confident	49 Å²	49	101.4 Å²	101.4	30%	0.297	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133	169.9	62.6	0	0	0	0	108.7	N30 K31 Y32 I67 I75	N30-V52 HydrophobicContact CB-CG2 4.17Å; K31-V52 WeakPolarHBondContact O-CA 3.46Å; Y32-V52 HydrophobicContact CD1-CB 4.17Å; Y32-V52 HydrophobicContact CD1-CG2 4.09Å; Y32-V52 HydrophobicContact CE1-CB 4.05Å; Y32-V52 HydrophobicContact CE1-CG2 3.67Å; V52-I67 HydrophobicContact CB-CD1 4.28Å; V52-I67 HydrophobicContact CG1-CD1 3.89Å; V52-I67 HydrophobicContact CG2-CD1 4.06Å; V52-I75 HydrophobicContact CB-CD1 4.07Å; V52-I75 HydrophobicContact CG1-CD1 4.38Å
53	E	89	Confident	81.4	Confident	66 Å²	66	99.8 Å²	99.8	31%	0.308	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	110.9	164.9	-62.6	-179.5	170.8	0	0	106.7	K20 K31 Y33	K20-E53 IonicContact NZ-OE1 2.68Å; K20-E53 PolarHBondContact NZ-OE1 3.09Å; K31-E53 PolarHBondContact N-O 3.25Å; K31-E53 PolarHBondContact O-N 3.4Å; Y33-E53 HydrophobicContact CD2-CB 4.48Å; Y33-E53 HydrophobicContact CD2-CG 3.88Å; Y33-E53 HydrophobicContact CE2-CB 3.86Å; Y33-E53 HydrophobicContact CE2-CG 3.51Å; Y33-E53 WeakPolarHBondContact CE2-OE2 3.39Å; Y33-E53 VanDerWaalsContact CZ-OE2 3.25Å; Y33-E53 PolarHBondContact OH-OE2 3.42Å
54	G	84.4	Confident	81	Confident	45 Å²	45	105.6 Å²	105.6	46%	0.464	52%	0.523	S	S	.	.			trans	-63.7	144.4	179.4	0	0	0	0	0	111.4	N30 N56	N30-G54 WeakPolarHBondContact OD1-CA 3.45Å; G54-N56 PolarHBondContact O-N 2.69Å
55	A	78.8	Confident	80.7	Confident	53 Å²	53	102.3 Å²	102.3	44%	0.438	52%	0.522	S	S	.	.	S	Bend	trans	-61.5	-36.8	172.4	0	0	0	0	0	111.3	N30	N30-A55 PolarHBondContact OD1-N 3.04Å; N30-A55 VanDerWaalsContact OD1-N 3.1Å
56	N	73.2	Confident	80.6	Confident	136 Å²	136	102 Å²	102	73%	0.727	52%	0.518	S	S	*	.	S	Bend	trans	-85.8	126.1	174.8	-65.6	-43.5	0	0	0	110.1	G54 K58	G54-N56 PolarHBondContact O-N 2.69Å; N56-K58 PolarHBondContact O-N 2.86Å
57	K	64	Low	80.7	Confident	203 Å²	203	101 Å²	101	88%	0.883	51%	0.512	S	S	*	.	S	Bend	trans	-75.2	-8.2	-175.6	-60.9	179.1	-177.2	176.2	0	114	E59	K57-E59 PolarHBondContact O-N 3.15Å
58	K	69.6	Low	80.8	Confident	151 Å²	151	92 Å²	92	66%	0.657	48%	0.48	S	S	*	.			trans	-84.8	94.8	-180	-65.8	-179.1	-179.9	-179.5	0	108.2	N56 V60 D61	N56-K58 PolarHBondContact O-N 2.86Å; K58-V60 PolarHBondContact O-N 3.39Å; K58-D61 HydrophobicContact CB-CB 4.43Å; K58-D61 VanDerWaalsContact CB-OD2 3.27Å; K58-D61 WeakPolarHBondContact CB-OD2 3.34Å; K58-D61 WeakPolarHBondContact CD-OD2 3.48Å; K58-D61 PolarHBondContact O-N 3Å
59	E	64.1	Low	80.8	Confident	191 Å²	191	92.7 Å²	92.7	89%	0.893	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-16.5	178.6	-64.1	177.1	175.9	0	0	113.6	K57	K57-E59 PolarHBondContact O-N 3.15Å
60	V	68.3	Low	80.9	Confident	135 Å²	135	89.1 Å²	89.1	82%	0.818	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-21.7	-177.4	-173.7	0	0	0	0	112.5	K58 Y62	K58-V60 PolarHBondContact O-N 3.39Å; V60-Y62 VanDerWaalsContact C-N 3.31Å; V60-Y62 PolarHBondContact O-N 3.13Å
61	D	71.3	Confident	80.9	Confident	87 Å²	87	87.8 Å²	87.8	47%	0.465	47%	0.468	S	S	.	.			trans	-96.1	27	-169.8	-58.2	-21.1	0	0	0	112.3	K58 E63	K58-D61 HydrophobicContact CB-CB 4.43Å; K58-D61 VanDerWaalsContact CB-OD2 3.27Å; K58-D61 WeakPolarHBondContact CB-OD2 3.34Å; K58-D61 WeakPolarHBondContact CD-OD2 3.48Å; K58-D61 PolarHBondContact O-N 3Å; D61-E63 PolarHBondContact O-N 3.03Å
62	Y	73.7	Confident	81	Confident	125 Å²	125	88 Å²	88	49%	0.49	47%	0.468	S	S	.	.			trans	-79.6	112.3	179.9	-171.9	-85.9	0	0	0	110.6	V60 D66 I67	V60-Y62 VanDerWaalsContact C-N 3.31Å; V60-Y62 PolarHBondContact O-N 3.13Å; Y62-D66 HydrophobicContact CD2-CB 4.48Å; Y62-D66 HydrophobicContact CE2-CB 4.17Å; Y62-I67 HydrophobicContact CE2-CD1 3.54Å; Y62-I67 HydrophobicContact CE2-CG1 3.66Å; Y62-I67 VanDerWaalsContact OH-CB 3.27Å; Y62-I67 WeakPolarHBondContact OH-CB 3.25Å; Y62-I67 WeakPolarHBondContact OH-CD1 3.37Å; Y62-I67 WeakPolarHBondContact OH-CG1 3.48Å
63	E	80.8	Confident	81.2	Confident	127 Å²	127	86.6 Å²	86.6	59%	0.593	46%	0.461	S	S	*	.			trans	-107.2	158.5	179	-67.2	-64.4	171.5	0	0	112.6	D61 G65 D66	D61-E63 PolarHBondContact O-N 3.03Å; E63-G65 PolarHBondContact O-N 3.37Å; E63-D66 PolarHBondContact N-OD2 2.93Å; E63-D66 PolarHBondContact O-N 3.03Å
64	I	77.8	Confident	81.4	Confident	177 Å²	177	83.7 Å²	83.7	91%	0.908	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	98.2	177.1	-59.4	163.7	0	0	0	108.4
65	G	80.3	Confident	81.8	Confident	52 Å²	52	83.7 Å²	83.7	54%	0.536	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	141.1	-16.7	-178.5	0	0	0	0	0	113.9	E63 I67	E63-G65 PolarHBondContact O-N 3.37Å; G65-I67 PolarHBondContact O-N 3.29Å
66	D	85	Confident	82.5	Confident	65 Å²	65	89.4 Å²	89.4	35%	0.348	45%	0.446	S	S	.	.	S	Bend	trans	-70.3	-19.3	-177.7	-67	-19.8	0	0	0	113.7	F28 N30 Y62 E63	F28-D66 WeakPolarHBondContact CD2-O 3.49Å; N30-D66 PolarHBondContact ND2-O 3.08Å; Y62-D66 HydrophobicContact CD2-CB 4.48Å; Y62-D66 HydrophobicContact CE2-CB 4.17Å; E63-D66 PolarHBondContact N-OD2 2.93Å; E63-D66 PolarHBondContact O-N 3.03Å
67	I	89.1	Confident	83.4	Confident	17 Å²	17	88.5 Å²	88.5	9%	0.087	43%	0.433	C	S	.	.	S	Bend	trans	-113.1	127.4	172.4	-66.1	179.4	0	0	0	108.8	Y32 V52 Y62 G65 W71 E72 I75	Y32-I67 HydrophobicContact CE1-CG2 4.41Å; V52-I67 HydrophobicContact CB-CD1 4.28Å; V52-I67 HydrophobicContact CG1-CD1 3.89Å; V52-I67 HydrophobicContact CG2-CD1 4.06Å; Y62-I67 HydrophobicContact CE2-CD1 3.54Å; Y62-I67 HydrophobicContact CE2-CG1 3.66Å; Y62-I67 VanDerWaalsContact OH-CB 3.27Å; Y62-I67 WeakPolarHBondContact OH-CB 3.25Å; Y62-I67 WeakPolarHBondContact OH-CD1 3.37Å; Y62-I67 WeakPolarHBondContact OH-CG1 3.48Å; G65-I67 PolarHBondContact O-N 3.29Å; I67-W71 HydrophobicContact CG2-CB 3.85Å; I67-E72 HydrophobicContact CG2-CB 4.1Å; I67-I75 HydrophobicContact CD1-CD1 4.28Å
68	P	91.7	Very high	84.7	Confident	11 Å²	11	84.3 Å²	84.3	7%	0.071	42%	0.424	C	S	.	.			trans	-60	145.8	171.6	-19.4	28.9	0	0	0	111.3	D26 F28 E70 W71 E72 I88	D26-P68 VanDerWaalsContact OD1-CG 3.24Å; D26-P68 WeakPolarHBondContact OD1-CG 3.49Å; D26-P68 WeakPolarHBondContact OD2-CD 3.48Å; D26-P68 WeakPolarHBondContact OD2-CG 3.43Å; F28-P68 HydrophobicContact CD2-CG 4.2Å; F28-P68 HydrophobicContact CE2-CG 3.98Å; P68-E70 WeakPolarHBondContact CB-OE2 3.24Å; P68-E70 PolarHBondContact O-N 3.11Å; P68-E70 VanDerWaalsContact O-N 3.13Å; P68-W71 PolarHBondContact O-N 3.19Å; P68-W71 VanDerWaalsContact O-N 3.07Å; P68-E72 PolarHBondContact O-N 3.47Å; P68-I88 HydrophobicContact CB-CG2 4.38Å
69	T	91.2	Very high	85.8	Confident	73 Å²	73	81.4 Å²	81.4	45%	0.448	41%	0.409	S	S	.	.	H	α-helix	trans	-60	-30.6	-174.4	-51.1	0	0	0	0	112.6	E72 A73	T69-E72 PolarHBondContact O-N 3.25Å; T69-A73 WeakPolarHBondContact O-CB 3.47Å; T69-A73 PolarHBondContact O-N 3.05Å
70	E	93.4	Very high	87.1	Confident	16 Å²	16	81.4 Å²	81.4	8%	0.075	41%	0.406	C	S	.	.	H	α-helix	trans	-66.3	-45.7	177.5	-61.6	74.1	-165.7	0	0	111.6	P68 A73 W74 P83 I88 N91	P68-E70 WeakPolarHBondContact CB-OE2 3.24Å; P68-E70 PolarHBondContact O-N 3.11Å; P68-E70 VanDerWaalsContact O-N 3.13Å; E70-A73 PolarHBondContact O-N 3.17Å; E70-W74 PolarHBondContact O-N 3.33Å; E70-W74 VanDerWaalsContact O-N 3.07Å; E70-P83 HydrophobicContact CB-CB 3.66Å; E70-P83 HydrophobicContact CB-CG 3.99Å; E70-P83 HydrophobicContact CG-CB 4.48Å; E70-I88 HydrophobicContact CB-CG1 4.38Å; E70-I88 HydrophobicContact CG-CG1 4.34Å; E70-N91 VanDerWaalsContact OE1-CB 3.24Å; E70-N91 WeakPolarHBondContact OE1-CB 3.5Å; E70-N91 PolarHBondContact OE1-ND2 3.41Å
71	W	93.3	Very high	88.2	Confident	6 Å²	6	80 Å²	80	2%	0.023	40%	0.398	C	S	.	.	H	α-helix	trans	-68.4	-37.8	175.6	-83.1	114	0	0	0	111.5	V23 Y32 I67 P68 W74 I75 P82 P83	V23-W71 HydrophobicContact CG1-CH2 4.25Å; V23-W71 HydrophobicContact CG1-CZ3 4.37Å; Y32-W71 HydrophobicContact CD1-CB 4.39Å; Y32-W71 AromaticContact CD1-CD2 3.87Å; Y32-W71 HydrophobicContact CD1-CD2 3.87Å; Y32-W71 AromaticContact CD1-CE3 3.41Å; Y32-W71 HydrophobicContact CD1-CE3 3.41Å; Y32-W71 VanDerWaalsContact CD1-CE3 3.41Å; Y32-W71 HydrophobicContact CD1-CG 4.31Å; Y32-W71 AromaticContact CD1-CZ3 3.97Å; Y32-W71 HydrophobicContact CD1-CZ3 3.97Å; Y32-W71 AromaticContact CD2-CD2 3.59Å; Y32-W71 HydrophobicContact CD2-CD2 3.59Å; Y32-W71 AromaticContact CD2-CE2 3.66Å; Y32-W71 AromaticContact CD2-CE3 3.67Å; Y32-W71 HydrophobicContact CD2-CE3 3.67Å; Y32-W71 HydrophobicContact CD2-CG 4.24Å; Y32-W71 AromaticContact CD2-CH2 3.91Å; Y32-W71 HydrophobicContact CD2-CH2 3.91Å; Y32-W71 AromaticContact CD2-CZ2 3.83Å; Y32-W71 HydrophobicContact CD2-CZ2 3.83Å; Y32-W71 AromaticContact CD2-CZ3 3.83Å; Y32-W71 HydrophobicContact CD2-CZ3 3.83Å; Y32-W71 HydrophobicContact CE1-CB 3.63Å; Y32-W71 AromaticContact CE1-CD2 3.85Å; Y32-W71 HydrophobicContact CE1-CD2 3.85Å; Y32-W71 AromaticContact CE1-CE3 3.85Å; Y32-W71 HydrophobicContact CE1-CE3 3.85Å; Y32-W71 AromaticContact CE1-CG 3.8Å; Y32-W71 HydrophobicContact CE1-CG 3.8Å; Y32-W71 HydrophobicContact CE2-CB 4.41Å; Y32-W71 AromaticContact CE2-CD1 3.95Å; Y32-W71 AromaticContact CE2-CD2 3.62Å; Y32-W71 HydrophobicContact CE2-CD2 3.62Å; Y32-W71 AromaticContact CE2-CE2 3.76Å; Y32-W71 HydrophobicContact CE2-CE3 4.11Å; Y32-W71 AromaticContact CE2-CG 3.77Å; Y32-W71 HydrophobicContact CE2-CG 3.77Å; Y32-W71 HydrophobicContact CE2-CZ2 4.35Å; Y32-W71 AromaticContact CE2-NE1 3.94Å; Y32-W71 AromaticContact CG-CD2 3.73Å; Y32-W71 HydrophobicContact CG-CD2 3.73Å; Y32-W71 AromaticContact CG-CE3 3.3Å; Y32-W71 HydrophobicContact CG-CE3 3.3Å; Y32-W71 AromaticContact CG-CH2 3.94Å; Y32-W71 HydrophobicContact CG-CH2 3.94Å; Y32-W71 HydrophobicContact CG-CZ2 4.31Å; Y32-W71 AromaticContact CG-CZ3 3.43Å; Y32-W71 HydrophobicContact CG-CZ3 3.43Å; Y32-W71 VanDerWaalsContact CG-CZ3 3.43Å; Y32-W71 AromaticContact CZ-CD1 3.95Å; Y32-W71 AromaticContact CZ-CD2 3.72Å; Y32-W71 AromaticContact CZ-CG 3.49Å; Y32-W71 VanDerWaalsContact CZ-CG 3.49Å; I67-W71 HydrophobicContact CG2-CB 3.85Å; P68-W71 PolarHBondContact O-N 3.19Å; P68-W71 VanDerWaalsContact O-N 3.07Å; W71-W74 HydrophobicContact CE3-CD2 4.3Å; W71-W74 AromaticContact CE3-CE3 3.75Å; W71-W74 HydrophobicContact CE3-CE3 3.75Å; W71-W74 HydrophobicContact CE3-CZ3 4.34Å; W71-W74 HydrophobicContact CZ3-CD2 4.16Å; W71-W74 AromaticContact CZ3-CE3 3.73Å; W71-W74 HydrophobicContact CZ3-CE3 3.73Å; W71-W74 HydrophobicContact CZ3-CZ3 4.01Å; W71-W74 PolarHBondContact O-N 2.96Å; W71-I75 WeakPolarHBondContact O-CG1 3.29Å; W71-I75 PolarHBondContact O-N 2.88Å; W71-P82 HydrophobicContact CH2-CB 4.15Å; W71-P82 HydrophobicContact CZ3-CB 4.19Å; W71-P83 HydrophobicContact CD2-CG 3.49Å; W71-P83 VanDerWaalsContact CD2-CG 3.49Å; W71-P83 HydrophobicContact CE3-CG 3.95Å; W71-P83 HydrophobicContact CG-CG 3.77Å; W71-P83 HydrophobicContact CH2-CG 4.41Å; W71-P83 HydrophobicContact CZ2-CG 4Å; W71-P83 HydrophobicContact CZ3-CG 4.38Å
72	E	92.6	Very high	89.2	Confident	64 Å²	64	78.5 Å²	78.5	30%	0.299	39%	0.393	S	S	.	.	H	α-helix	trans	-59.9	-46.8	173.2	-174.7	-178.6	-164.2	0	0	111.4	I67 P68 T69 W74 I75 R76	I67-E72 HydrophobicContact CG2-CB 4.1Å; P68-E72 PolarHBondContact O-N 3.47Å; T69-E72 PolarHBondContact O-N 3.25Å; E72-W74 VanDerWaalsContact C-N 3.25Å; E72-W74 PolarHBondContact O-N 3.16Å; E72-I75 PolarHBondContact O-N 2.65Å; E72-R76 HydrophobicContact CG-CG 4.45Å; E72-R76 WeakPolarHBondContact O-CB 3.43Å; E72-R76 VanDerWaalsContact O-CG 3.3Å; E72-R76 WeakPolarHBondContact O-CG 3.02Å; E72-R76 PolarHBondContact O-N 2.91Å; E72-R76 IonicContact OE1-CZ 3.06Å; E72-R76 IonicContact OE1-NE 3.02Å; E72-R76 PolarHBondContact OE1-NE 2.92Å; E72-R76 IonicContact OE1-NH2 3.4Å; E72-R76 PolarHBondContact OE1-NH2 3.02Å
73	A	93.8	Very high	90.2	Very high	18 Å²	18	73.1 Å²	73.1	15%	0.149	37%	0.373	C	S	.	.	H	α-helix	trans	-62.2	-34	176.8	0	0	0	0	0	112.3	T69 E70 R77 T78 R79	T69-A73 WeakPolarHBondContact O-CB 3.47Å; T69-A73 PolarHBondContact O-N 3.05Å; E70-A73 PolarHBondContact O-N 3.17Å; A73-R77 PolarHBondContact O-N 2.95Å; A73-T78 WeakPolarHBondContact O-CB 3Å; A73-T78 PolarHBondContact O-N 2.9Å; A73-R79 HydrophobicContact CB-CG 4.04Å; A73-R79 PolarHBondContact O-N 3.21Å
74	W	94.2	Very high	90.7	Very high	6 Å²	6	71.1 Å²	71.1	2%	0.023	37%	0.37	C	S	.	.	H	α-helix	trans	-69.1	-47	172.6	-177.7	77.4	0	0	0	111.7	V23 C34 R50 E70 W71 E72 R76 R77 K80 T81	V23-W74 HydrophobicContact CB-CH2 4.13Å; V23-W74 HydrophobicContact CB-CZ2 4.35Å; V23-W74 HydrophobicContact CG1-CH2 4.25Å; V23-W74 HydrophobicContact CG1-CZ2 4.03Å; V23-W74 HydrophobicContact CG2-CH2 3.74Å; V23-W74 HydrophobicContact CG2-CZ2 3.91Å; C34-W74 HydrophobicContact CB-CH2 4.27Å; C34-W74 HydrophobicContact CB-CZ2 4.37Å; R50-W74 HydrophobicContact CB-CE3 4.37Å; R50-W74 HydrophobicContact CB-CH2 4.12Å; R50-W74 HydrophobicContact CB-CZ3 3.92Å; R50-W74 WeakPolarHBondContact CD-O 3.38Å; R50-W74 HydrophobicContact CG-CE3 4.46Å; R50-W74 HydrophobicContact CG-CH2 3.85Å; R50-W74 HydrophobicContact CG-CZ2 4.02Å; R50-W74 HydrophobicContact CG-CZ3 4.08Å; R50-W74 PolarHBondContact NH1-O 3.11Å; E70-W74 PolarHBondContact O-N 3.33Å; E70-W74 VanDerWaalsContact O-N 3.07Å; W71-W74 HydrophobicContact CE3-CD2 4.3Å; W71-W74 AromaticContact CE3-CE3 3.75Å; W71-W74 HydrophobicContact CE3-CE3 3.75Å; W71-W74 HydrophobicContact CE3-CZ3 4.34Å; W71-W74 HydrophobicContact CZ3-CD2 4.16Å; W71-W74 AromaticContact CZ3-CE3 3.73Å; W71-W74 HydrophobicContact CZ3-CE3 3.73Å; W71-W74 HydrophobicContact CZ3-CZ3 4.01Å; W71-W74 PolarHBondContact O-N 2.96Å; E72-W74 VanDerWaalsContact C-N 3.25Å; E72-W74 PolarHBondContact O-N 3.16Å; W74-R76 VanDerWaalsContact C-N 3.3Å; W74-R76 PolarHBondContact O-N 3.14Å; W74-R77 WeakPolarHBondContact O-CA 3.02Å; W74-R77 PolarHBondContact O-N 2.72Å; W74-K80 PolarHBondContact NE1-O 2.8Å; W74-T81 VanDerWaalsContact CD1-O 3.29Å
75	I	92.5	Very high	91.2	Very high	44 Å²	44	66.6 Å²	66.6	23%	0.226	35%	0.346	C	S	.	.	H	α-helix	trans	-59.3	-43	177.2	-69.3	167.1	0	0	0	111.3	Y32 V52 I67 W71 E72 R77	Y32-I75 HydrophobicContact CD1-CD1 3.94Å; Y32-I75 HydrophobicContact CD1-CG1 4.36Å; Y32-I75 HydrophobicContact CE1-CD1 3.74Å; V52-I75 HydrophobicContact CB-CD1 4.07Å; V52-I75 HydrophobicContact CG1-CD1 4.38Å; I67-I75 HydrophobicContact CD1-CD1 4.28Å; W71-I75 WeakPolarHBondContact O-CG1 3.29Å; W71-I75 PolarHBondContact O-N 2.88Å; E72-I75 PolarHBondContact O-N 2.65Å; I75-R77 PolarHBondContact O-N 2.83Å; I75-R77 VanDerWaalsContact O-N 3.14Å
76	R	92.5	Very high	91.8	Very high	173 Å²	173	71.8 Å²	71.8	65%	0.653	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-4.7	176.5	-68.1	177.7	-179.1	-129.8	4.8	113.7	E72 W74 T78	E72-R76 HydrophobicContact CG-CG 4.45Å; E72-R76 WeakPolarHBondContact O-CB 3.43Å; E72-R76 VanDerWaalsContact O-CG 3.3Å; E72-R76 WeakPolarHBondContact O-CG 3.02Å; E72-R76 PolarHBondContact O-N 2.91Å; E72-R76 IonicContact OE1-CZ 3.06Å; E72-R76 IonicContact OE1-NE 3.02Å; E72-R76 PolarHBondContact OE1-NE 2.92Å; E72-R76 IonicContact OE1-NH2 3.4Å; E72-R76 PolarHBondContact OE1-NH2 3.02Å; W74-R76 VanDerWaalsContact C-N 3.3Å; W74-R76 PolarHBondContact O-N 3.14Å; R76-T78 PolarHBondContact O-N 3.25Å
77	R	91.8	Very high	92.1	Very high	118 Å²	118	71.8 Å²	71.8	45%	0.445	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	17.4	-177.5	-45.3	179.2	-158.4	-152.3	-1.3	114.6	E48 A73 W74 I75 R79	E48-R77 PolarHBondContact O-NH1 3.44Å; E48-R77 PolarHBondContact O-NH2 2.96Å; A73-R77 PolarHBondContact O-N 2.95Å; W74-R77 WeakPolarHBondContact O-CA 3.02Å; W74-R77 PolarHBondContact O-N 2.72Å; I75-R77 PolarHBondContact O-N 2.83Å; I75-R77 VanDerWaalsContact O-N 3.14Å; R77-R79 VanDerWaalsContact C-N 3.25Å
78	T	92.9	Very high	92.2	Very high	114 Å²	114	71.2 Å²	71.2	70%	0.699	35%	0.351	S	S	*	.	S	Bend	trans	-64.7	-37.9	168.6	-49.7	0	0	0	0	109.8	A73 R76	A73-T78 WeakPolarHBondContact O-CB 3Å; A73-T78 PolarHBondContact O-N 2.9Å; R76-T78 PolarHBondContact O-N 3.25Å
79	R	91.8	Very high	92.2	Very high	90 Å²	90	73.3 Å²	73.3	34%	0.34	36%	0.364	S	S	.	.			trans	-103.8	140.3	173.7	-64	-178.2	179.9	-162.9	-0.8	111	R50 A73 R77 E87	R50-R79 PolarHBondContact NH1-O 2.93Å; A73-R79 HydrophobicContact CB-CG 4.04Å; A73-R79 PolarHBondContact O-N 3.21Å; R77-R79 VanDerWaalsContact C-N 3.25Å; R79-E87 IonicContact CZ-OE1 3.92Å; R79-E87 IonicContact NH1-OE1 3.18Å; R79-E87 PolarHBondContact NH1-OE1 3.41Å; R79-E87 IonicContact NH2-OE1 2.64Å
80	K	90.5	Very high	92.3	Very high	192 Å²	192	77.2 Å²	77.2	84%	0.835	38%	0.375	S	S	*	.	S	Bend	trans	-83.4	-45.9	175.5	-66.9	-177.2	-176.9	178.3	0	111.8	W74	W74-K80 PolarHBondContact NE1-O 2.8Å
81	T	91.9	Very high	92.3	Very high	106 Å²	106	78.7 Å²	78.7	65%	0.65	38%	0.383	S	S	*	.	S	Bend	trans	-84.9	142	-179.2	50.1	0	0	0	0	110.8	W74	W74-T81 VanDerWaalsContact CD1-O 3.29Å
82	P	92.4	Very high	92.2	Very high	55 Å²	55	82.2 Å²	82.2	36%	0.357	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-67	150.7	171.7	30.5	-34.6	0	0	0	110.4	V23 W71	V23-P82 HydrophobicContact CG1-CB 3.42Å; V23-P82 VanDerWaalsContact CG1-CB 3.42Å; V23-P82 HydrophobicContact CG1-CG 3.65Å; W71-P82 HydrophobicContact CH2-CB 4.15Å; W71-P82 HydrophobicContact CZ3-CB 4.19Å
83	P	94.1	Very high	92.3	Very high	12 Å²	12	85 Å²	85	8%	0.078	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-71.3	153.2	175.7	32	-35.4	0	0	0	111.5	E70 W71 I88	E70-P83 HydrophobicContact CB-CB 3.66Å; E70-P83 HydrophobicContact CB-CG 3.99Å; E70-P83 HydrophobicContact CG-CB 4.48Å; W71-P83 HydrophobicContact CD2-CG 3.49Å; W71-P83 VanDerWaalsContact CD2-CG 3.49Å; W71-P83 HydrophobicContact CE3-CG 3.95Å; W71-P83 HydrophobicContact CG-CG 3.77Å; W71-P83 HydrophobicContact CH2-CG 4.41Å; W71-P83 HydrophobicContact CZ2-CG 4Å; W71-P83 HydrophobicContact CZ3-CG 4.38Å; P83-I88 HydrophobicContact CB-CD1 4.36Å; P83-I88 HydrophobicContact CB-CG1 4.32Å; P83-I88 HydrophobicContact CG-CD1 4.36Å
84	T	92.8	Very high	92.4	Very high	85 Å²	85	91.2 Å²	91.2	52%	0.521	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-96.3	148.4	173.7	-54.4	0	0	0	0	109.8	E86 E87 I88	T84-E86 VanDerWaalsContact C-N 3.25Å; T84-E86 HydrophobicContact CG2-CB 4.45Å; T84-E86 PolarHBondContact O-N 2.76Å; T84-E87 WeakPolarHBondContact O-CB 3.09Å; T84-E87 PolarHBondContact O-N 3.47Å; T84-I88 PolarHBondContact O-N 3.42Å
85	M	88.5	Confident	92.4	Very high	81 Å²	81	98.3 Å²	98.3	40%	0.399	46%	0.458	S	S	.	.	H	α-helix	trans	-54.8	-41.7	179.1	-173.8	59.7	68.6	0	0	112.6	T25 E87 I88 V89	T25-M85 WeakPolarHBondContact O-CE 3.43Å; M85-E87 VanDerWaalsContact C-N 3.3Å; M85-E87 PolarHBondContact O-N 3.36Å; M85-I88 PolarHBondContact O-N 3.28Å; M85-V89 WeakPolarHBondContact O-CG2 3.39Å; M85-V89 PolarHBondContact O-N 2.93Å; M85-V89 VanDerWaalsContact O-N 3.11Å
86	E	91.3	Very high	92.5	Very high	162 Å²	162	101.7 Å²	101.7	76%	0.757	47%	0.473	S	S	*	.	H	α-helix	trans	-62.7	-35.7	178.2	-61	179.1	-178.2	0	0	112.9	T84 K90	T84-E86 VanDerWaalsContact C-N 3.25Å; T84-E86 HydrophobicContact CG2-CB 4.45Å; T84-E86 PolarHBondContact O-N 2.76Å; E86-K90 WeakPolarHBondContact O-CB 3.47Å; E86-K90 PolarHBondContact O-N 3.33Å
87	E	92.2	Very high	92.8	Very high	65 Å²	65	98 Å²	98	30%	0.304	46%	0.463	S	S	.	.	H	α-helix	trans	-65.4	-44	177	-171.7	-168.1	155.9	0	0	110.5	R79 T84 M85 K90 N91	R79-E87 IonicContact CZ-OE1 3.92Å; R79-E87 IonicContact NH1-OE1 3.18Å; R79-E87 PolarHBondContact NH1-OE1 3.41Å; R79-E87 IonicContact NH2-OE1 2.64Å; T84-E87 WeakPolarHBondContact O-CB 3.09Å; T84-E87 PolarHBondContact O-N 3.47Å; M85-E87 VanDerWaalsContact C-N 3.3Å; M85-E87 PolarHBondContact O-N 3.36Å; E87-K90 PolarHBondContact O-N 3.26Å; E87-N91 WeakPolarHBondContact O-CB 3.39Å; E87-N91 PolarHBondContact O-N 2.89Å; E87-N91 PolarHBondContact O-OD1 3.25Å
88	I	90.9	Very high	93	Very high	5 Å²	5	95.4 Å²	95.4	3%	0.026	46%	0.46	C	S	.	.	H	α-helix	trans	-60.5	-51	179.8	-62.7	168.5	0	0	0	109.8	P68 E70 P83 T84 M85 K90 N91 E92	P68-I88 HydrophobicContact CB-CG2 4.38Å; E70-I88 HydrophobicContact CB-CG1 4.38Å; E70-I88 HydrophobicContact CG-CG1 4.34Å; P83-I88 HydrophobicContact CB-CD1 4.36Å; P83-I88 HydrophobicContact CB-CG1 4.32Å; P83-I88 HydrophobicContact CG-CD1 4.36Å; T84-I88 PolarHBondContact O-N 3.42Å; M85-I88 PolarHBondContact O-N 3.28Å; I88-K90 VanDerWaalsContact C-N 3.3Å; I88-K90 PolarHBondContact O-N 3.43Å; I88-N91 PolarHBondContact O-N 3.11Å; I88-E92 PolarHBondContact O-N 3.01Å
89	V	91.3	Very high	93.2	Very high	55 Å²	55	96.3 Å²	96.3	33%	0.333	45%	0.454	S	S	.	.	H	α-helix	trans	-60.7	-39.6	179	174.5	0	0	0	0	111.6	M85 K93	M85-V89 WeakPolarHBondContact O-CG2 3.39Å; M85-V89 PolarHBondContact O-N 2.93Å; M85-V89 VanDerWaalsContact O-N 3.11Å; V89-K93 WeakPolarHBondContact O-CG 3.42Å; V89-K93 PolarHBondContact O-N 3.02Å
90	K	94	Very high	93.5	Very high	155 Å²	155	96.4 Å²	96.4	67%	0.674	46%	0.461	S	S	*	.	H	α-helix	trans	-65.5	-42.7	177.5	-176.2	-179.8	178.2	-178.3	0	111.8	E86 E87 I88 Y94	E86-K90 WeakPolarHBondContact O-CB 3.47Å; E86-K90 PolarHBondContact O-N 3.33Å; E87-K90 PolarHBondContact O-N 3.26Å; I88-K90 VanDerWaalsContact C-N 3.3Å; I88-K90 PolarHBondContact O-N 3.43Å; K90-Y94 PolarHBondContact O-N 3.46Å; K90-Y94 VanDerWaalsContact O-N 3.08Å
91	N	92.9	Very high	93.8	Very high	47 Å²	47	93.4 Å²	93.4	25%	0.251	45%	0.448	S	S	.	.	H	α-helix	trans	-69.7	-36.3	-179.7	-68.6	-11.1	0	0	0	111.7	E70 E87 I88 Y94 R95	E70-N91 VanDerWaalsContact OE1-CB 3.24Å; E70-N91 WeakPolarHBondContact OE1-CB 3.5Å; E70-N91 PolarHBondContact OE1-ND2 3.41Å; E87-N91 WeakPolarHBondContact O-CB 3.39Å; E87-N91 PolarHBondContact O-N 2.89Å; E87-N91 PolarHBondContact O-OD1 3.25Å; I88-N91 PolarHBondContact O-N 3.11Å; N91-Y94 WeakPolarHBondContact O-CB 3.05Å; N91-Y94 PolarHBondContact O-N 3.07Å; N91-R95 WeakPolarHBondContact O-CG 2.99Å; N91-R95 PolarHBondContact O-N 3.07Å
92	E	91.6	Very high	94.1	Very high	79 Å²	79	91.1 Å²	91.1	37%	0.369	44%	0.436	S	S	.	.	H	α-helix	trans	-60.2	-50.3	174.4	-173.3	165.6	-140.2	0	0	111.2	I88 Y94 R95 E96	I88-E92 PolarHBondContact O-N 3.01Å; E92-Y94 VanDerWaalsContact C-N 3.29Å; E92-Y94 PolarHBondContact O-N 3.13Å; E92-R95 WeakPolarHBondContact O-CB 3.05Å; E92-R95 PolarHBondContact O-N 3.28Å; E92-E96 PolarHBondContact O-N 2.96Å
93	K	95.1	Very high	94.3	Very high	124 Å²	124	93 Å²	93	54%	0.539	44%	0.44	S	S	.	.	H	α-helix	trans	-55.2	-44.8	173.9	-70.9	177.1	-179.6	-177.7	0	112.3	V89 R95 E96 E97	V89-K93 WeakPolarHBondContact O-CG 3.42Å; V89-K93 PolarHBondContact O-N 3.02Å; K93-R95 VanDerWaalsContact C-N 3.32Å; K93-R95 PolarHBondContact O-N 3.05Å; K93-E96 PolarHBondContact O-N 2.89Å; K93-E97 WeakPolarHBondContact O-CG 3.27Å; K93-E97 PolarHBondContact O-N 2.9Å
94	Y	95.9	Very high	94.4	Very high	148 Å²	148	95.8 Å²	95.8	58%	0.58	45%	0.454	S	S	*	.	H	α-helix	trans	-60.9	-40.6	177.4	178	-101.4	0	0	0	112.4	K90 N91 E92 E97 V98	K90-Y94 PolarHBondContact O-N 3.46Å; K90-Y94 VanDerWaalsContact O-N 3.08Å; N91-Y94 WeakPolarHBondContact O-CB 3.05Å; N91-Y94 PolarHBondContact O-N 3.07Å; E92-Y94 VanDerWaalsContact C-N 3.29Å; E92-Y94 PolarHBondContact O-N 3.13Å; Y94-E97 PolarHBondContact O-N 2.81Å; Y94-V98 HydrophobicContact CD1-CG2 4.26Å; Y94-V98 HydrophobicContact CD2-CG2 4.46Å; Y94-V98 HydrophobicContact CE1-CG2 3.8Å; Y94-V98 HydrophobicContact CE2-CG2 4.02Å; Y94-V98 VanDerWaalsContact O-CG2 3.31Å; Y94-V98 WeakPolarHBondContact O-CG2 3.4Å; Y94-V98 PolarHBondContact O-N 2.87Å
95	R	93.3	Very high	94.5	Very high	155 Å²	155	98.3 Å²	98.3	59%	0.585	46%	0.458	S	S	*	.	H	α-helix	trans	-64.1	-41.3	176.5	-71.4	172.7	67.9	177.1	0.9	111.8	N91 E92 K93 V98 K99	N91-R95 WeakPolarHBondContact O-CG 2.99Å; N91-R95 PolarHBondContact O-N 3.07Å; E92-R95 WeakPolarHBondContact O-CB 3.05Å; E92-R95 PolarHBondContact O-N 3.28Å; K93-R95 VanDerWaalsContact C-N 3.32Å; K93-R95 PolarHBondContact O-N 3.05Å; R95-V98 PolarHBondContact O-N 3.25Å; R95-K99 WeakPolarHBondContact O-CB 3.27Å; R95-K99 PolarHBondContact O-N 2.95Å
96	E	95.6	Very high	94.7	Very high	114 Å²	114	97.3 Å²	97.3	53%	0.533	46%	0.458	S	S	.	.	H	α-helix	trans	-62.1	-46.8	175.3	-67.6	-179.3	163.6	0	0	111.3	E92 K93 V98 K99 I100	E92-E96 PolarHBondContact O-N 2.96Å; K93-E96 PolarHBondContact O-N 2.89Å; E96-V98 PolarHBondContact O-N 2.94Å; E96-K99 WeakPolarHBondContact O-CB 3.33Å; E96-K99 PolarHBondContact O-N 2.7Å; E96-K99 VanDerWaalsContact O-N 3.16Å; E96-I100 WeakPolarHBondContact O-CG1 3.03Å; E96-I100 PolarHBondContact O-N 3.46Å
97	E	97.6	Very high	94.9	Very high	96 Å²	96	95 Å²	95	45%	0.449	45%	0.448	S	S	.	.	H	α-helix	trans	-59.3	-44.6	176.9	-73.7	179.5	-154.9	0	0	112.6	K93 Y94 K99 I100 K101	K93-E97 WeakPolarHBondContact O-CG 3.27Å; K93-E97 PolarHBondContact O-N 2.9Å; Y94-E97 PolarHBondContact O-N 2.81Å; E97-K99 VanDerWaalsContact C-N 3.31Å; E97-K99 PolarHBondContact O-N 3.49Å; E97-I100 PolarHBondContact O-N 2.98Å; E97-K101 WeakPolarHBondContact O-CB 3.45Å; E97-K101 VanDerWaalsContact O-CG 3.27Å; E97-K101 WeakPolarHBondContact O-CG 3.18Å; E97-K101 PolarHBondContact O-N 3.29Å; E97-K101 IonicContact OE2-NZ 3.72Å
98	V	97	Very high	95	Very high	63 Å²	63	98.4 Å²	98.4	38%	0.382	46%	0.462	S	S	.	.	H	α-helix	trans	-63.8	-40.1	177.1	171.2	0	0	0	0	110.5	Y94 R95 E96 K101 S102	Y94-V98 HydrophobicContact CD1-CG2 4.26Å; Y94-V98 HydrophobicContact CD2-CG2 4.46Å; Y94-V98 HydrophobicContact CE1-CG2 3.8Å; Y94-V98 HydrophobicContact CE2-CG2 4.02Å; Y94-V98 VanDerWaalsContact O-CG2 3.31Å; Y94-V98 WeakPolarHBondContact O-CG2 3.4Å; Y94-V98 PolarHBondContact O-N 2.87Å; R95-V98 PolarHBondContact O-N 3.25Å; E96-V98 PolarHBondContact O-N 2.94Å; V98-K101 PolarHBondContact O-N 3.47Å; V98-S102 VanDerWaalsContact O-CB 3.31Å; V98-S102 WeakPolarHBondContact O-CB 3.3Å; V98-S102 PolarHBondContact O-N 3.5Å; V98-S102 PolarHBondContact O-OG 3.47Å
99	K	97.3	Very high	95	Very high	133 Å²	133	103.7 Å²	103.7	58%	0.578	49%	0.486	S	S	*	.	H	α-helix	trans	-61.8	-48.6	177.4	-172.5	-179.6	178.6	-174.1	0	111.2	R95 E96 E97 S102 Q103	R95-K99 WeakPolarHBondContact O-CB 3.27Å; R95-K99 PolarHBondContact O-N 2.95Å; E96-K99 WeakPolarHBondContact O-CB 3.33Å; E96-K99 PolarHBondContact O-N 2.7Å; E96-K99 VanDerWaalsContact O-N 3.16Å; E97-K99 VanDerWaalsContact C-N 3.31Å; E97-K99 PolarHBondContact O-N 3.49Å; K99-S102 PolarHBondContact O-N 3.06Å; K99-S102 PolarHBondContact O-OG 2.76Å; K99-Q103 WeakPolarHBondContact O-CG 3.2Å; K99-Q103 PolarHBondContact O-N 3.17Å
100	I	97.5	Very high	95	Very high	92 Å²	92	107.2 Å²	107.2	47%	0.472	50%	0.497	S	S	.	.	H	α-helix	trans	-58.6	-51.8	176.8	-65.1	163.5	0	0	0	110.2	E96 E97 S102 Q103 D104	E96-I100 WeakPolarHBondContact O-CG1 3.03Å; E96-I100 PolarHBondContact O-N 3.46Å; E97-I100 PolarHBondContact O-N 2.98Å; I100-S102 VanDerWaalsContact C-N 3.27Å; I100-S102 PolarHBondContact O-N 3.21Å; I100-Q103 WeakPolarHBondContact O-CB 3.45Å; I100-Q103 PolarHBondContact O-N 3.26Å; I100-Q103 VanDerWaalsContact O-N 3.09Å; I100-D104 PolarHBondContact O-N 2.97Å
101	K	97.5	Very high	94.7	Very high	129 Å²	129	104.4 Å²	104.4	56%	0.561	49%	0.489	S	S	*	.	H	α-helix	trans	-58.9	-37.8	179.3	-72.2	169.9	-175.7	165.4	0	112.7	E97 V98 F105	E97-K101 WeakPolarHBondContact O-CB 3.45Å; E97-K101 VanDerWaalsContact O-CG 3.27Å; E97-K101 WeakPolarHBondContact O-CG 3.18Å; E97-K101 PolarHBondContact O-N 3.29Å; E97-K101 IonicContact OE2-NZ 3.72Å; V98-K101 PolarHBondContact O-N 3.47Å; K101-F105 WeakPolarHBondContact O-CB 3.34Å; K101-F105 PolarHBondContact O-N 2.91Å
102	S	97	Very high	94.2	Very high	58 Å²	58	107.1 Å²	107.1	41%	0.406	50%	0.503	S	S	.	.	H	α-helix	trans	-67.4	-39.1	177.9	74.1	0	0	0	0	112.1	V98 K99 I100 F105 C106	V98-S102 VanDerWaalsContact O-CB 3.31Å; V98-S102 WeakPolarHBondContact O-CB 3.3Å; V98-S102 PolarHBondContact O-N 3.5Å; V98-S102 PolarHBondContact O-OG 3.47Å; K99-S102 PolarHBondContact O-N 3.06Å; K99-S102 PolarHBondContact O-OG 2.76Å; I100-S102 VanDerWaalsContact C-N 3.27Å; I100-S102 PolarHBondContact O-N 3.21Å; S102-F105 PolarHBondContact O-N 3.48Å; S102-C106 WeakPolarHBondContact O-CB 3.37Å; S102-C106 PolarHBondContact O-N 2.87Å; S102-C106 PolarHBondContact O-SG 2.94Å; S102-C106 VanDerWaalsContact O-SG 3.39Å
103	Q	97.1	Very high	93.4	Very high	96 Å²	96	106.3 Å²	106.3	45%	0.449	51%	0.506	S	S	.	.	H	α-helix	trans	-65.6	-49	175.1	-70.9	174.7	-14.9	0	0	110.9	K99 I100 F105 C106 E107	K99-Q103 WeakPolarHBondContact O-CG 3.2Å; K99-Q103 PolarHBondContact O-N 3.17Å; I100-Q103 WeakPolarHBondContact O-CB 3.45Å; I100-Q103 PolarHBondContact O-N 3.26Å; I100-Q103 VanDerWaalsContact O-N 3.09Å; Q103-F105 VanDerWaalsContact C-N 3.26Å; Q103-F105 PolarHBondContact O-N 2.88Å; Q103-C106 PolarHBondContact O-N 3.34Å; Q103-C106 VanDerWaalsContact O-N 3.15Å; Q103-E107 WeakPolarHBondContact O-CG 3.36Å; Q103-E107 PolarHBondContact O-N 3.34Å
104	D	96.3	Very high	92.7	Very high	70 Å²	70	106.3 Å²	106.3	37%	0.374	51%	0.506	S	S	.	.	H	α-helix	trans	-56	-42	176.6	-65.3	-17.6	0	0	0	111.8	I100 E107 K108	I100-D104 PolarHBondContact O-N 2.97Å; D104-E107 PolarHBondContact O-N 3.22Å; D104-K108 WeakPolarHBondContact O-CB 3.19Å; D104-K108 VanDerWaalsContact O-CG 3.24Å; D104-K108 WeakPolarHBondContact O-CG 2.97Å; D104-K108 PolarHBondContact O-N 3.33Å
105	F	95.6	Very high	91.7	Very high	138 Å²	138	104.5 Å²	104.5	61%	0.605	50%	0.503	S	S	*	.	H	α-helix	trans	-65.2	-48.3	177.6	-175.3	-91.1	0	0	0	111.6	K101 S102 Q103 E107 K108 E109	K101-F105 WeakPolarHBondContact O-CB 3.34Å; K101-F105 PolarHBondContact O-N 2.91Å; S102-F105 PolarHBondContact O-N 3.48Å; Q103-F105 VanDerWaalsContact C-N 3.26Å; Q103-F105 PolarHBondContact O-N 2.88Å; F105-E107 VanDerWaalsContact C-N 3.29Å; F105-E107 PolarHBondContact O-N 2.89Å; F105-K108 PolarHBondContact O-N 3.33Å; F105-E109 WeakPolarHBondContact O-CB 3.11Å; F105-E109 PolarHBondContact O-N 2.96Å
106	C	92.9	Very high	90.3	Very high	59 Å²	59	101 Å²	101	40%	0.399	50%	0.498	S	S	.	.	H	α-helix	trans	-62.8	-34.1	177.4	-76.2	0	0	0	0	112.8	S102 Q103 K110	S102-C106 WeakPolarHBondContact O-CB 3.37Å; S102-C106 PolarHBondContact O-N 2.87Å; S102-C106 PolarHBondContact O-SG 2.94Å; S102-C106 VanDerWaalsContact O-SG 3.39Å; Q103-C106 PolarHBondContact O-N 3.34Å; Q103-C106 VanDerWaalsContact O-N 3.15Å; C106-K110 WeakPolarHBondContact O-CD 3.06Å; C106-K110 WeakPolarHBondContact O-CG 3.23Å; C106-K110 PolarHBondContact O-N 2.64Å; C106-K110 VanDerWaalsContact O-N 3.13Å
107	E	94.9	Very high	88.7	Confident	115 Å²	115	99.8 Å²	99.8	54%	0.537	50%	0.503	S	S	.	.	H	α-helix	trans	-70	-45.5	175.9	-73.8	177.7	-171.8	0	0	111.7	Q103 D104 F105 E109 K110 L111	Q103-E107 WeakPolarHBondContact O-CG 3.36Å; Q103-E107 PolarHBondContact O-N 3.34Å; D104-E107 PolarHBondContact O-N 3.22Å; F105-E107 VanDerWaalsContact C-N 3.29Å; F105-E107 PolarHBondContact O-N 2.89Å; E107-E109 VanDerWaalsContact C-N 3.33Å; E107-E109 PolarHBondContact O-N 3.13Å; E107-K110 WeakPolarHBondContact O-CB 3.34Å; E107-K110 PolarHBondContact O-N 3.06Å; E107-L111 WeakPolarHBondContact O-CG 3.42Å; E107-L111 PolarHBondContact O-N 2.87Å
108	K	93	Very high	87	Confident	136 Å²	136	102.8 Å²	102.8	59%	0.591	52%	0.517	S	S	*	.	H	α-helix	trans	-59.6	-43.1	175	-73	172.3	-175	177.8	0	112.1	D104 F105 K110 L111 L112	D104-K108 WeakPolarHBondContact O-CB 3.19Å; D104-K108 VanDerWaalsContact O-CG 3.24Å; D104-K108 WeakPolarHBondContact O-CG 2.97Å; D104-K108 PolarHBondContact O-N 3.33Å; F105-K108 PolarHBondContact O-N 3.33Å; K108-K110 VanDerWaalsContact C-N 3.34Å; K108-K110 PolarHBondContact O-N 2.83Å; K108-L111 PolarHBondContact O-N 2.84Å; K108-L112 WeakPolarHBondContact O-CG 3.19Å; K108-L112 PolarHBondContact O-N 2.78Å
109	E	91.6	Very high	85.1	Confident	115 Å²	115	107.1 Å²	107.1	54%	0.537	53%	0.533	S	S	.	.	H	α-helix	trans	-61.4	-42.5	176	-171.9	-178.7	-172.5	0	0	111.8	F105 E107 L111 L112 S113	F105-E109 WeakPolarHBondContact O-CB 3.11Å; F105-E109 PolarHBondContact O-N 2.96Å; E107-E109 VanDerWaalsContact C-N 3.33Å; E107-E109 PolarHBondContact O-N 3.13Å; E109-L111 VanDerWaalsContact C-N 3.35Å; E109-L111 PolarHBondContact O-N 3.36Å; E109-L112 PolarHBondContact O-N 2.84Å; E109-S113 WeakPolarHBondContact O-CB 3.44Å; E109-S113 PolarHBondContact O-N 3.33Å; E109-S113 PolarHBondContact O-OG 2.93Å
110	K	91.4	Very high	83.1	Confident	129 Å²	129	108.4 Å²	108.4	56%	0.561	55%	0.545	S	S	*	.	H	α-helix	trans	-63.2	-38.7	175.1	-73.6	168.9	-174.3	176.6	0	112.3	C106 E107 K108 S113 K114	C106-K110 WeakPolarHBondContact O-CD 3.06Å; C106-K110 WeakPolarHBondContact O-CG 3.23Å; C106-K110 PolarHBondContact O-N 2.64Å; C106-K110 VanDerWaalsContact O-N 3.13Å; E107-K110 WeakPolarHBondContact O-CB 3.34Å; E107-K110 PolarHBondContact O-N 3.06Å; K108-K110 VanDerWaalsContact C-N 3.34Å; K108-K110 PolarHBondContact O-N 2.83Å; K110-S113 WeakPolarHBondContact CA-OG 3.24Å; K110-S113 PolarHBondContact O-OG 3.1Å; K110-K114 WeakPolarHBondContact O-CG 3.21Å; K110-K114 PolarHBondContact O-N 3.43Å
111	L	88.8	Confident	81.2	Confident	97 Å²	97	110.7 Å²	110.7	51%	0.508	56%	0.558	S	S	.	*	H	α-helix	trans	-66.8	-49	176.2	-68.1	175.6	0	0	0	111.2	E107 K108 E109 S113 K114 E115	E107-L111 WeakPolarHBondContact O-CG 3.42Å; E107-L111 PolarHBondContact O-N 2.87Å; K108-L111 PolarHBondContact O-N 2.84Å; E109-L111 VanDerWaalsContact C-N 3.35Å; E109-L111 PolarHBondContact O-N 3.36Å; L111-S113 VanDerWaalsContact C-N 3.3Å; L111-S113 PolarHBondContact O-N 3.28Å; L111-K114 WeakPolarHBondContact O-CB 3.3Å; L111-K114 PolarHBondContact O-N 3.02Å; L111-E115 PolarHBondContact O-N 2.87Å
112	L	82.1	Confident	79.5	Confident	103 Å²	103	109.6 Å²	109.6	54%	0.539	56%	0.564	S	S	.	*	H	α-helix	trans	-56.9	-43	175.9	-71.1	170.6	0	0	0	112	K108 E109 K114 E115 T116	K108-L112 WeakPolarHBondContact O-CG 3.19Å; K108-L112 PolarHBondContact O-N 2.78Å; E109-L112 PolarHBondContact O-N 2.84Å; L112-K114 VanDerWaalsContact C-N 3.26Å; L112-K114 PolarHBondContact O-N 2.88Å; L112-E115 PolarHBondContact O-N 3.18Å; L112-T116 WeakPolarHBondContact O-CG2 3.34Å; L112-T116 PolarHBondContact O-N 2.86Å; L112-T116 PolarHBondContact O-OG1 2.91Å; L112-T116 VanDerWaalsContact O-OG1 3.08Å
113	S	74.8	Confident	77.7	Confident	62 Å²	62	112.2 Å²	112.2	43%	0.434	58%	0.579	S	S	.	*	H	α-helix	trans	-60.9	-35.8	176.9	70.4	0	0	0	0	112.9	E109 K110 L111 T116 S117	E109-S113 WeakPolarHBondContact O-CB 3.44Å; E109-S113 PolarHBondContact O-N 3.33Å; E109-S113 PolarHBondContact O-OG 2.93Å; K110-S113 WeakPolarHBondContact CA-OG 3.24Å; K110-S113 PolarHBondContact O-OG 3.1Å; L111-S113 VanDerWaalsContact C-N 3.3Å; L111-S113 PolarHBondContact O-N 3.28Å; S113-T116 WeakPolarHBondContact CA-OG1 3.29Å; S113-T116 PolarHBondContact O-OG1 2.62Å; S113-S117 WeakPolarHBondContact O-CB 3.16Å; S113-S117 PolarHBondContact O-N 3.14Å; S113-S117 VanDerWaalsContact O-N 3.08Å; S113-S117 PolarHBondContact O-OG 2.91Å
114	K	79.4	Confident	75.9	Confident	124 Å²	124	113.5 Å²	113.5	54%	0.539	60%	0.596	S	S	.	*	H	α-helix	trans	-72.2	-46	177.9	-71.1	170	-176.7	-178.8	0	110.5	K110 L111 L112 T116 S117 E118	K110-K114 WeakPolarHBondContact O-CG 3.21Å; K110-K114 PolarHBondContact O-N 3.43Å; L111-K114 WeakPolarHBondContact O-CB 3.3Å; L111-K114 PolarHBondContact O-N 3.02Å; L112-K114 VanDerWaalsContact C-N 3.26Å; L112-K114 PolarHBondContact O-N 2.88Å; K114-T116 VanDerWaalsContact C-N 3.33Å; K114-T116 PolarHBondContact O-N 3.3Å; K114-S117 WeakPolarHBondContact CA-OG 3.4Å; K114-S117 PolarHBondContact O-N 2.94Å; K114-S117 PolarHBondContact O-OG 2.68Å; K114-E118 PolarHBondContact O-N 3.23Å
115	E	75.4	Confident	74.2	Confident	111 Å²	111	115.5 Å²	115.5	52%	0.519	61%	0.611	S	S	.	*	H	α-helix	trans	-57.1	-45.5	175.1	-71	172.4	-174.7	0	0	111	L111 L112 S117 E118 E119	L111-E115 PolarHBondContact O-N 2.87Å; L112-E115 PolarHBondContact O-N 3.18Å; E115-S117 VanDerWaalsContact C-N 3.29Å; E115-S117 PolarHBondContact O-N 3.03Å; E115-E118 PolarHBondContact O-N 3.34Å; E115-E119 VanDerWaalsContact O-CB 3.27Å; E115-E119 WeakPolarHBondContact O-CB 3.38Å; E115-E119 PolarHBondContact O-N 2.98Å
116	T	63.5	Low	72.6	Confident	80 Å²	80	117.9 Å²	117.9	49%	0.491	62%	0.623	S	S	.	*	H	α-helix	trans	-67.1	-26.1	175.5	54.9	0	0	0	0	114.3	L112 S113 K114	L112-T116 WeakPolarHBondContact O-CG2 3.34Å; L112-T116 PolarHBondContact O-N 2.86Å; L112-T116 PolarHBondContact O-OG1 2.91Å; L112-T116 VanDerWaalsContact O-OG1 3.08Å; S113-T116 WeakPolarHBondContact CA-OG1 3.29Å; S113-T116 PolarHBondContact O-OG1 2.62Å; K114-T116 VanDerWaalsContact C-N 3.33Å; K114-T116 PolarHBondContact O-N 3.3Å
117	S	61.9	Low	71.4	Confident	90 Å²	90	117.3 Å²	117.3	63%	0.629	62%	0.618	S	S	*	*	H	α-helix	trans	-80.3	-28.4	175.3	70.4	0	0	0	0	112.7	S113 K114 E115	S113-S117 WeakPolarHBondContact O-CB 3.16Å; S113-S117 PolarHBondContact O-N 3.14Å; S113-S117 VanDerWaalsContact O-N 3.08Å; S113-S117 PolarHBondContact O-OG 2.91Å; K114-S117 WeakPolarHBondContact CA-OG 3.4Å; K114-S117 PolarHBondContact O-N 2.94Å; K114-S117 PolarHBondContact O-OG 2.68Å; E115-S117 VanDerWaalsContact C-N 3.29Å; E115-S117 PolarHBondContact O-N 3.03Å
118	E	62.8	Low	70.3	Confident	159 Å²	159	117 Å²	117	74%	0.743	62%	0.617	S	S	*	*	H	α-helix	trans	-81.7	-33.1	172.7	-75.7	-176.3	158.9	0	0	111.6	K114 E115 L120	K114-E118 PolarHBondContact O-N 3.23Å; E115-E118 PolarHBondContact O-N 3.34Å; E118-L120 PolarHBondContact O-N 3.46Å
119	E	56.9	Low	69.2	Low	153 Å²	153	117.3 Å²	117.3	72%	0.715	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	64.6	171.5	-167.5	167	-179.1	0	0	110.8	E115 L121	E115-E119 VanDerWaalsContact O-CB 3.27Å; E115-E119 WeakPolarHBondContact O-CB 3.38Å; E115-E119 PolarHBondContact O-N 2.98Å; E119-L121 VanDerWaalsContact C-N 3.34Å; E119-L121 PolarHBondContact O-N 2.77Å
120	L	55.5	Low	68.3	Low	161 Å²	161	114.8 Å²	114.8	84%	0.843	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	11.5	61.5	159.5	-62.1	173.3	0	0	0	118	E118	E118-L120 PolarHBondContact O-N 3.46Å
121	L	57.5	Low	67.5	Low	140 Å²	140	110.5 Å²	110.5	73%	0.733	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-77.6	130.5	155.5	-66.4	-177.4	0	0	0	107.8	E119	E119-L121 VanDerWaalsContact C-N 3.34Å; E119-L121 PolarHBondContact O-N 2.77Å
122	P	60.3	Low	66.7	Low	105 Å²	105	112.8 Å²	112.8	68%	0.682	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-55	139.3	174	23.3	-31.5	0	0	0	108.5
123	P	60.5	Low	66.2	Low	113 Å²	113	112.3 Å²	112.3	73%	0.734	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-51	130.4	178.2	20.1	-30.9	0	0	0	108	V125	P123-V125 PolarHBondContact O-N 3.4Å; P123-V125 VanDerWaalsContact O-N 3.11Å
124	P	58.5	Low	66.3	Low	123 Å²	123	114.9 Å²	114.9	80%	0.799	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-53.2	127.3	-178.9	21.5	-31.9	0	0	0	107.7	Q126	P124-Q126 PolarHBondContact O-N 3.34Å; P124-Q126 VanDerWaalsContact O-N 3.14Å
125	V	59.9	Low	66	Low	113 Å²	113	111.3 Å²	111.3	69%	0.685	63%	0.633	S	S	*	*			trans	-44.9	126.6	178.8	177.4	0	0	0	0	107.7	P123 T127 P147	P123-V125 PolarHBondContact O-N 3.4Å; P123-V125 VanDerWaalsContact O-N 3.11Å; V125-T127 VanDerWaalsContact C-N 3.29Å; V125-T127 PolarHBondContact O-N 2.99Å; V125-P147 HydrophobicContact CG1-CG 4.25Å
126	Q	62.9	Low	65.7	Low	187 Å²	187	110.8 Å²	110.8	87%	0.874	64%	0.64	S	S	*	*			trans	-66.1	87.3	-172	-169.7	140.6	17.5	0	0	110.5	P124	P124-Q126 PolarHBondContact O-N 3.34Å; P124-Q126 VanDerWaalsContact O-N 3.14Å
127	T	67.4	Low	66.2	Low	48 Å²	48	111.9 Å²	111.9	29%	0.294	64%	0.635	S	S	.	*			trans	-85.3	137.2	177.6	55.4	0	0	0	0	110	V125 I129 P147 F154	V125-T127 VanDerWaalsContact C-N 3.29Å; V125-T127 PolarHBondContact O-N 2.99Å; T127-I129 PolarHBondContact O-N 2.51Å; T127-P147 WeakPolarHBondContact CA-O 3.35Å; T127-P147 HydrophobicContact CG2-CB 4.33Å; T127-P147 HydrophobicContact CG2-CG 4.17Å; T127-F154 HydrophobicContact CG2-CE2 4.08Å
128	Q	72.3	Confident	66.7	Low	108 Å²	108	116.8 Å²	116.8	51%	0.505	65%	0.646	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-75	113.5	170.4	-64.9	-175.6	3.5	0	0	109.2	K130 P147 S148 S149	Q128-K130 PolarHBondContact O-N 2.91Å; Q128-P147 PolarHBondContact N-O 2.65Å; Q128-S148 PolarHBondContact O-OG 2.96Å; Q128-S149 PolarHBondContact O-N 3.45Å
129	I	70.6	Confident	67.2	Low	143 Å²	143	110.7 Å²	110.7	73%	0.733	63%	0.626	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-75	109.8	175.4	-56.5	169.7	0	0	0	107.5	T127	T127-I129 PolarHBondContact O-N 2.51Å
130	K	72.9	Confident	67.8	Low	61 Å²	61	112.2 Å²	112.2	27%	0.265	63%	0.63	S	S	.	*			trans	-102.1	118.1	174.2	-78.6	-174.8	176.6	179.2	0	109.1	Q128 Y137 T150	Q128-K130 PolarHBondContact O-N 2.91Å; K130-Y137 HydrophobicContact CB-CD2 4.49Å; K130-Y137 HydrophobicContact CB-CE2 4.28Å; K130-T150 PolarHBondContact O-OG1 2.81Å
131	G	73.8	Confident	68.4	Low	39 Å²	39	112.4 Å²	112.4	40%	0.402	63%	0.627	S	S	.	*	S	Bend	trans	81.9	-178.3	177.5	0	0	0	0	0	115
132	H	71.9	Confident	69.1	Low	146 Å²	146	112.7 Å²	112.7	68%	0.676	62%	0.624	S	S	*	*			trans	-97.4	138.6	176.8	-69.1	-81	0	0	0	110.1	S134 A135	H132-S134 PolarHBondContact O-N 2.76Å; H132-A135 PolarHBondContact O-N 2.76Å
133	A	72.6	Confident	69.6	Low	92 Å²	92	112.6 Å²	112.6	76%	0.76	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58	-21.4	179.1	0	0	0	0	0	114.2
134	S	74.8	Confident	70.1	Confident	117 Å²	117	109 Å²	109	82%	0.818	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-2.6	179.6	57.1	0	0	0	0	114.6	H132	H132-S134 PolarHBondContact O-N 2.76Å
135	A	73.4	Confident	70.9	Confident	48 Å²	48	108.4 Å²	108.4	40%	0.397	60%	0.595	S	S	.	*	S	Bend	trans	-136.2	139.1	-177.2	0	0	0	0	0	111.8	H132 Y137	H132-A135 PolarHBondContact O-N 2.76Å; A135-Y137 PolarHBondContact O-N 2.82Å
136	P	70.1	Confident	71.8	Confident	101 Å²	101	104.7 Å²	104.7	66%	0.656	58%	0.576	S	S	*	*			trans	-63.5	135.3	171.8	26.3	-32.3	0	0	0	110.3	F138	P136-F138 HydrophobicContact CB-CE2 4.17Å; P136-F138 HydrophobicContact CG-CD2 4.38Å; P136-F138 HydrophobicContact CG-CE2 3.69Å; P136-F138 HydrophobicContact CG-CZ 4.31Å
137	Y	73.3	Confident	72.7	Confident	102 Å²	102	97.2 Å²	97.2	40%	0.4	54%	0.544	S	S	.	.			trans	-80.1	123.4	175.3	-179.7	-103.3	0	0	0	109.8	K130 A135 G139	K130-Y137 HydrophobicContact CB-CD2 4.49Å; K130-Y137 HydrophobicContact CB-CE2 4.28Å; A135-Y137 PolarHBondContact O-N 2.82Å; Y137-G139 VanDerWaalsContact CE1-CA 3.45Å
138	F	72.5	Confident	73.3	Confident	193 Å²	193	95.4 Å²	95.4	85%	0.846	53%	0.533	S	S	*	.			trans	-106.8	21.9	-178.4	-79.9	-76.9	0	0	0	113.6	P136	P136-F138 HydrophobicContact CB-CE2 4.17Å; P136-F138 HydrophobicContact CG-CD2 4.38Å; P136-F138 HydrophobicContact CG-CE2 3.69Å; P136-F138 HydrophobicContact CG-CZ 4.31Å
139	G	73.6	Confident	73.6	Confident	32 Å²	32	92.1 Å²	92.1	33%	0.33	52%	0.522	S	S	.	.	S	Bend	trans	-82.6	160.8	175.3	0	0	0	0	0	112.8	Y137 E141	Y137-G139 VanDerWaalsContact CE1-CA 3.45Å; G139-E141 PolarHBondContact O-N 2.96Å
140	K	69.9	Low	73.8	Confident	185 Å²	185	87 Å²	87	80%	0.804	50%	0.498	S	S	*	.			trans	-66.1	132	171.6	-63.7	-177.4	-179.9	179.9	0	109.7	E142	K140-E142 PolarHBondContact O-N 3.25Å
141	E	68.7	Low	73.9	Confident	165 Å²	165	86.8 Å²	86.8	77%	0.771	51%	0.512	S	S	*	.			trans	-76.9	87.8	175	-64.2	-173.3	175.3	0	0	109.5	G139	G139-E141 PolarHBondContact O-N 2.96Å
142	E	71.7	Confident	73.9	Confident	146 Å²	146	95.1 Å²	95.1	68%	0.682	54%	0.538	S	S	*	.			trans	-82.3	132.9	170.4	-71.1	-176	177.9	0	0	110.2	K140 S144	K140-E142 PolarHBondContact O-N 3.25Å; E142-S144 PolarHBondContact O-N 2.87Å; E142-S144 VanDerWaalsContact O-N 3.11Å
143	P	70.3	Confident	74.2	Confident	102 Å²	102	91.9 Å²	91.9	66%	0.662	53%	0.528	S	S	*	.			trans	-62.8	114.5	176.8	-5.3	14.3	0	0	0	110
144	S	70.8	Confident	74.5	Confident	37 Å²	37	93.3 Å²	93.3	26%	0.259	52%	0.517	S	S	.	.			trans	-107.9	146.6	176.1	60.1	0	0	0	0	111.3	E142 A146 G157 S158	E142-S144 PolarHBondContact O-N 2.87Å; E142-S144 VanDerWaalsContact O-N 3.11Å; S144-A146 VanDerWaalsContact C-N 3.28Å; S144-A146 PolarHBondContact O-N 3.09Å; S144-A146 PolarHBondContact OG-O 2.92Å; S144-G157 CarbonylContact O-C 3.49Å; S144-G157 VanDerWaalsContact O-CA 3.25Å; S144-G157 WeakPolarHBondContact O-CA 3.32Å; S144-S158 PolarHBondContact O-N 3.46Å
145	V	76.1	Confident	74.8	Confident	112 Å²	112	91.8 Å²	91.8	68%	0.679	50%	0.497	S	S	*	.	S	Bend	trans	-67.7	-31.3	175.7	-179	0	0	0	0	111.6	G157 V160	V145-G157 WeakPolarHBondContact O-CA 3.38Å; V145-V160 HydrophobicContact CG2-CG2 4.18Å
146	A	78.8	Confident	75.3	Confident	35 Å²	35	93.8 Å²	93.8	29%	0.289	51%	0.506	S	S	.	.	S	Bend	trans	-85	142.5	176.8	0	0	0	0	0	111.3	S144	S144-A146 VanDerWaalsContact C-N 3.28Å; S144-A146 PolarHBondContact O-N 3.09Å; S144-A146 PolarHBondContact OG-O 2.92Å
147	P	81.6	Confident	76	Confident	30 Å²	30	90.7 Å²	90.7	20%	0.195	49%	0.492	C	S	.	.			trans	-66.4	139.3	173.1	28.4	-33.7	0	0	0	110.8	V125 T127 Q128 F154 Q155	V125-P147 HydrophobicContact CG1-CG 4.25Å; T127-P147 WeakPolarHBondContact CA-O 3.35Å; T127-P147 HydrophobicContact CG2-CB 4.33Å; T127-P147 HydrophobicContact CG2-CG 4.17Å; Q128-P147 PolarHBondContact N-O 2.65Å; P147-F154 HydrophobicContact CB-CE2 3.83Å; P147-F154 HydrophobicContact CB-CZ 3.7Å; P147-Q155 WeakPolarHBondContact CA-O 3.39Å
148	S	80.1	Confident	76.5	Confident	9 Å²	9	88.9 Å²	88.9	6%	0.063	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	143	177.8	-170.4	0	0	0	0	110.5	Q128 Q155	Q128-S148 PolarHBondContact O-OG 2.96Å; S148-Q155 PolarHBondContact N-O 3.28Å; S148-Q155 PolarHBondContact O-N 2.82Å
149	S	78.1	Confident	76.8	Confident	39 Å²	39	89.7 Å²	89.7	27%	0.273	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	126.9	178.4	-175.5	0	0	0	0	109.6	Q128	Q128-S149 PolarHBondContact O-N 3.45Å
150	T	75.3	Confident	77	Confident	37 Å²	37	91.9 Å²	91.9	23%	0.227	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	93	174.5	-57	0	0	0	0	108.2	K130 K152 T153	K130-T150 PolarHBondContact O-OG1 2.81Å; T150-K152 VanDerWaalsContact C-N 3.3Å; T150-K152 PolarHBondContact O-N 2.76Å; T150-T153 PolarHBondContact N-O 3.26Å; T150-T153 PolarHBondContact O-N 3.49Å
151	G	74.4	Confident	77.4	Confident	55 Å²	55	86.2 Å²	86.2	57%	0.567	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	-77.7	172.6	0	0	0	0	0	116.1
152	K	73.8	Confident	77.4	Confident	215 Å²	215	87.5 Å²	87.5	94%	0.935	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-14.5	179.9	-64.2	-176.8	-179.2	177.5	0	114.6	T150	T150-K152 VanDerWaalsContact C-N 3.3Å; T150-K152 PolarHBondContact O-N 2.76Å
153	T	78.2	Confident	76.8	Confident	77 Å²	77	87.7 Å²	87.7	47%	0.472	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.9	-173.8	-52.6	0	0	0	0	110.3	T150 Q155	T150-T153 PolarHBondContact N-O 3.26Å; T150-T153 PolarHBondContact O-N 3.49Å; T153-Q155 HydrophobicContact CG2-CG 4.45Å
154	F	79.9	Confident	76.2	Confident	122 Å²	122	86 Å²	86	54%	0.535	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	123.8	170	177	-100.6	0	0	0	109.1	T127 P147 P156	T127-F154 HydrophobicContact CG2-CE2 4.08Å; P147-F154 HydrophobicContact CB-CE2 3.83Å; P147-F154 HydrophobicContact CB-CZ 3.7Å; F154-P156 HydrophobicContact CE1-CB 4.14Å
155	Q	81.2	Confident	75.4	Confident	86 Å²	86	93.9 Å²	93.9	40%	0.402	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	111.7	174.3	-68.1	-67.3	-5	0	0	108.7	P147 S148 T153	P147-Q155 WeakPolarHBondContact CA-O 3.39Å; S148-Q155 PolarHBondContact N-O 3.28Å; S148-Q155 PolarHBondContact O-N 2.82Å; T153-Q155 HydrophobicContact CG2-CG 4.45Å
156	P	83	Confident	74.3	Confident	90 Å²	90	93.5 Å²	93.5	58%	0.584	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-65.1	148.5	175.6	28.4	-33.1	0	0	0	110.1	F154 S158	F154-P156 HydrophobicContact CE1-CB 4.14Å; P156-S158 PolarHBondContact O-N 2.84Å
157	G	84.4	Confident	72.7	Confident	35 Å²	35	100.3 Å²	100.3	36%	0.361	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-62.1	133.9	174.9	0	0	0	0	0	110.8	S144 V145	S144-G157 CarbonylContact O-C 3.49Å; S144-G157 VanDerWaalsContact O-CA 3.25Å; S144-G157 WeakPolarHBondContact O-CA 3.32Å; V145-G157 WeakPolarHBondContact O-CA 3.38Å
158	S	84	Confident	71.2	Confident	64 Å²	64	104 Å²	104	45%	0.448	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-92.2	128.5	177.4	-160.3	0	0	0	0	109.4	S144 P156 V160	S144-S158 PolarHBondContact O-N 3.46Å; P156-S158 PolarHBondContact O-N 2.84Å; S158-V160 PolarHBondContact O-N 3.11Å
159	W	77.9	Confident	69.5	Low	211 Å²	211	115.4 Å²	115.4	80%	0.799	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-66.9	122.8	175.6	-176.1	84.1	0	0	0	109.6	P161	W159-P161 HydrophobicContact CE3-CB 4.48Å; W159-P161 HydrophobicContact CE3-CG 4.4Å; W159-P161 HydrophobicContact CH2-CB 3.68Å; W159-P161 HydrophobicContact CH2-CG 4.36Å; W159-P161 HydrophobicContact CZ2-CB 4.5Å; W159-P161 HydrophobicContact CZ3-CB 3.66Å; W159-P161 HydrophobicContact CZ3-CG 3.82Å
160	V	79.6	Confident	69	Low	78 Å²	78	119.2 Å²	119.2	47%	0.473	65%	0.648	S	S	.	*			trans	-108.1	117.6	176.2	-169.3	0	0	0	0	107.4	V145 S158 Q162	V145-V160 HydrophobicContact CG2-CG2 4.18Å; S158-V160 PolarHBondContact O-N 3.11Å; V160-Q162 PolarHBondContact O-N 3.49Å
161	P	78	Confident	68.7	Low	66 Å²	66	123.5 Å²	123.5	43%	0.429	67%	0.67	S	S	.	*			trans	-58.9	133	174.6	11.9	-14.1	0	0	0	108.9	W159 D163	W159-P161 HydrophobicContact CE3-CB 4.48Å; W159-P161 HydrophobicContact CE3-CG 4.4Å; W159-P161 HydrophobicContact CH2-CB 3.68Å; W159-P161 HydrophobicContact CH2-CG 4.36Å; W159-P161 HydrophobicContact CZ2-CB 4.5Å; W159-P161 HydrophobicContact CZ3-CB 3.66Å; W159-P161 HydrophobicContact CZ3-CG 3.82Å; P161-D163 PolarHBondContact O-N 2.82Å
162	Q	69.1	Low	68.4	Low	191 Å²	191	127.3 Å²	127.3	89%	0.893	68%	0.676	S	S	*	*			trans	-70	105.4	169.3	-69	-158.8	-9.4	0	0	107.5	V160 G164	V160-Q162 PolarHBondContact O-N 3.49Å; Q162-G164 PolarHBondContact O-N 3.37Å
163	D	58.4	Low	68.1	Low	150 Å²	150	122.2 Å²	122.2	80%	0.802	66%	0.661	S	S	*	*			trans	-60.3	103.3	169.1	-73.6	-27.8	0	0	0	107.7	P161 K165	P161-D163 PolarHBondContact O-N 2.82Å; D163-K165 VanDerWaalsContact C-N 3.33Å; D163-K165 PolarHBondContact O-N 2.93Å
164	G	56.8	Low	67.4	Low	68 Å²	68	125 Å²	125	70%	0.701	67%	0.673	S	S	*	*			trans	-61.5	91	179.3	0	0	0	0	0	110.9	Q162 S166	Q162-G164 PolarHBondContact O-N 3.37Å; G164-S166 VanDerWaalsContact C-N 3.27Å; G164-S166 PolarHBondContact O-N 3.42Å
165	K	54.9	Low	66.6	Low	201 Å²	201	125.2 Å²	125.2	87%	0.874	68%	0.682	S	S	*	*			trans	-93.7	64.8	153.7	-73.8	-177.5	-178.3	174.9	0	108.7	D163 H167	D163-K165 VanDerWaalsContact C-N 3.33Å; D163-K165 PolarHBondContact O-N 2.93Å; K165-H167 VanDerWaalsContact C-N 3.27Å; K165-H167 PolarHBondContact O-N 3.17Å; K165-H167 VanDerWaalsContact O-N 3.13Å
166	S	52.2	Low	65.6	Low	104 Å²	104	128 Å²	128	73%	0.727	70%	0.702	S	S	*	*			trans	-69.7	96.2	149.3	52.8	0	0	0	0	106.2	G164 S168	G164-S166 VanDerWaalsContact C-N 3.27Å; G164-S166 PolarHBondContact O-N 3.42Å; S166-S168 VanDerWaalsContact C-N 3.3Å; S166-S168 PolarHBondContact O-N 3.37Å
167	H	45.1	Very low	64.2	Low	178 Å²	178	130.9 Å²	130.9	82%	0.824	71%	0.711	S	S	*	*			trans	-64.5	97.4	168.7	-155.5	62.7	0	0	0	106.9	K165 Q169	K165-H167 VanDerWaalsContact C-N 3.27Å; K165-H167 PolarHBondContact O-N 3.17Å; K165-H167 VanDerWaalsContact O-N 3.13Å; H167-Q169 PolarHBondContact O-N 3.37Å
168	S	50.1	Low	62.5	Low	107 Å²	107	138.9 Å²	138.9	75%	0.748	74%	0.74	S	S	*	*			trans	-80.9	94.1	163.1	55.9	0	0	0	0	107.2	S166	S166-S168 VanDerWaalsContact C-N 3.3Å; S166-S168 PolarHBondContact O-N 3.37Å
169	Q	44.3	Very low	60.6	Low	249 Å²	249	145.7 Å²	145.7	100%	1.164	77%	0.767	S	S	*	*			trans	-173.9	0	141	-102.4	176.2	1.3	0	0	110.1	H167	H167-Q169 PolarHBondContact O-N 3.37Å

Retrieved 169 of 169 residues in 903.2 ms (Link to these results)

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