A0A096NNG4_PAPAN Loading...

Small nuclear ribonucleoprotein polypeptide A'

Involved in pre-mRNA splicing as component of the spliceosome. Associated with sn-RNP U2, where it contributes to the binding of stem loop IV of U2 snRNA.

AlphaFold DB (Q4R8Y8), UniProt , Accession A0A096NNG4, Species PAPAN (Papio anubis, Olive baboon), Gene SNRPA1, Length 255 aa.

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(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	72.6	Confident	93.3	Very high	157 Å²	157	80.7 Å²	80.7	77%	0.773	41%	0.408	S	S	*	.				0	118.9	0	-175.4	179	-82	0	0	106.2	P32	M1-P32 HydrophobicContact CE-CB 3.67Å; M1-P32 HydrophobicContact CE-CG 4.36Å; M1-P32 HydrophobicContact CG-CB 3.75Å; M1-P32 HydrophobicContact CG-CG 3.48Å; M1-P32 VanDerWaalsContact CG-CG 3.48Å; M1-P32 HydrophobicContact SD-CB 3.59Å; M1-P32 VanDerWaalsContact SD-CB 3.59Å; M1-P32 HydrophobicContact SD-CG 3.61Å
2	V	85.9	Confident	93.7	Very high	67 Å²	67	74.4 Å²	74.4	41%	0.406	38%	0.377	S	S	.	.			trans	-109.6	129.7	-178.2	-175.8	0	0	0	0	107.4	L8 Y29 K30 P32	V2-L8 HydrophobicContact CG1-CD2 4.34Å; V2-Y29 VanDerWaalsContact CB-O 3.28Å; V2-Y29 WeakPolarHBondContact CB-O 3.45Å; V2-Y29 VanDerWaalsContact CG2-O 3.28Å; V2-Y29 WeakPolarHBondContact CG2-O 3.34Å; V2-K30 PolarHBondContact N-O 2.68Å; V2-P32 WeakPolarHBondContact O-CD 3.46Å
3	K	93.5	Very high	94	Very high	145 Å²	145	72.8 Å²	72.8	63%	0.63	38%	0.382	S	S	*	.			trans	-72.4	146.3	175.4	-70.1	-172.2	177.5	-175.6	0	109.7	T5	K3-T5 HydrophobicContact CB-CG2 4.23Å; K3-T5 PolarHBondContact O-N 3.37Å
4	L	96.4	Very high	94.3	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	38%	0.382	C	S	.	.			trans	-79.6	88.8	173.9	-178.4	55.9	0	0	0	108.9	L8 I9 L26 I31 E35 N36 L37 F49	L4-L8 HydrophobicContact CD1-CD2 3.97Å; L4-I9 HydrophobicContact CD1-CD1 4.03Å; L4-I9 HydrophobicContact CD1-CG1 3.66Å; L4-I9 HydrophobicContact CG-CD1 4.15Å; L4-I9 HydrophobicContact CG-CG1 4.34Å; L4-L26 HydrophobicContact CD1-CD1 4.11Å; L4-L26 HydrophobicContact CD1-CD2 4.16Å; L4-I31 HydrophobicContact CB-CG2 3.98Å; L4-I31 HydrophobicContact CD1-CD1 4.05Å; L4-E35 HydrophobicContact CB-CG 4.05Å; L4-E35 VanDerWaalsContact CD2-O 3.24Å; L4-E35 WeakPolarHBondContact CD2-O 3.36Å; L4-E35 WeakPolarHBondContact CG-O 3.4Å; L4-N36 WeakPolarHBondContact O-CB 3.39Å; L4-N36 PolarHBondContact O-ND2 3.44Å; L4-L37 HydrophobicContact CD2-CD2 4.12Å; L4-L37 HydrophobicContact CD2-CG 4.31Å; L4-F49 HydrophobicContact CD2-CE1 3.78Å; L4-F49 HydrophobicContact CD2-CZ 3.97Å
5	T	97.1	Very high	94.5	Very high	59 Å²	59	73.8 Å²	73.8	36%	0.362	38%	0.377	S	S	.	.			trans	-90.5	160.1	179.5	55.3	0	0	0	0	111.8	K3 E7 L8 I9	K3-T5 HydrophobicContact CB-CG2 4.23Å; K3-T5 PolarHBondContact O-N 3.37Å; T5-E7 VanDerWaalsContact C-N 3.3Å; T5-E7 PolarHBondContact O-N 3Å; T5-L8 WeakPolarHBondContact O-CB 3.38Å; T5-L8 PolarHBondContact O-N 3.43Å; T5-L8 WeakPolarHBondContact OG1-CB 3.38Å; T5-L8 PolarHBondContact OG1-N 2.88Å; T5-I9 PolarHBondContact O-N 2.94Å; T5-I9 VanDerWaalsContact O-N 3.16Å
6	A	96.7	Very high	94.8	Very high	42 Å²	42	75.6 Å²	75.6	35%	0.347	39%	0.393	S	S	.	.	H	α-helix	trans	-56.5	-43.3	172.5	0	0	0	0	0	112.3	L8 I9 E10 A39	A6-L8 VanDerWaalsContact C-N 3.33Å; A6-L8 PolarHBondContact O-N 3.25Å; A6-I9 WeakPolarHBondContact O-CB 3.49Å; A6-I9 PolarHBondContact O-N 3.31Å; A6-E10 WeakPolarHBondContact O-CG 3.44Å; A6-E10 PolarHBondContact O-N 3.43Å; A6-A39 HydrophobicContact CB-CB 3.82Å
7	E	97	Very high	95	Very high	123 Å²	123	72.6 Å²	72.6	58%	0.575	38%	0.378	S	S	*	.	H	α-helix	trans	-59.3	-41.5	177.4	-177.2	172.8	179.7	0	0	112.6	T5 I9 E10 Q11	T5-E7 VanDerWaalsContact C-N 3.3Å; T5-E7 PolarHBondContact O-N 3Å; E7-I9 VanDerWaalsContact C-N 3.33Å; E7-I9 PolarHBondContact O-N 3.39Å; E7-E10 PolarHBondContact O-N 3.15Å; E7-Q11 WeakPolarHBondContact O-CB 3.46Å; E7-Q11 VanDerWaalsContact O-CG 3.29Å; E7-Q11 WeakPolarHBondContact O-CG 3.14Å; E7-Q11 PolarHBondContact O-N 3.05Å; E7-Q11 PolarHBondContact OE1-NE2 3.26Å
8	L	97.2	Very high	95.1	Very high	19 Å²	19	74.7 Å²	74.7	10%	0.099	41%	0.407	C	S	.	.	H	α-helix	trans	-60.9	-41.9	174.3	-178.5	67.2	0	0	0	111.7	V2 L4 T5 A6 Q11 A12 Y29 I31	V2-L8 HydrophobicContact CG1-CD2 4.34Å; L4-L8 HydrophobicContact CD1-CD2 3.97Å; T5-L8 WeakPolarHBondContact O-CB 3.38Å; T5-L8 PolarHBondContact O-N 3.43Å; T5-L8 WeakPolarHBondContact OG1-CB 3.38Å; T5-L8 PolarHBondContact OG1-N 2.88Å; A6-L8 VanDerWaalsContact C-N 3.33Å; A6-L8 PolarHBondContact O-N 3.25Å; L8-Q11 PolarHBondContact O-N 3.49Å; L8-A12 VanDerWaalsContact O-CB 3.29Å; L8-A12 WeakPolarHBondContact O-CB 3.48Å; L8-A12 PolarHBondContact O-N 3.43Å; L8-Y29 HydrophobicContact CD1-CD1 3.71Å; L8-Y29 HydrophobicContact CD1-CE1 3.62Å; L8-Y29 HydrophobicContact CD1-CG 4.25Å; L8-Y29 HydrophobicContact CD2-CD1 4.45Å; L8-Y29 HydrophobicContact CD2-CG 4.3Å; L8-I31 HydrophobicContact CD2-CD1 4.43Å
9	I	97.5	Very high	95.2	Very high	4 Å²	4	76.4 Å²	76.4	2%	0.021	42%	0.42	C	S	.	.	H	α-helix	trans	-65.4	-41.4	178.3	-68.7	166	0	0	0	110.7	L4 T5 A6 E7 A12 L24 N36 L37 A39 T40	L4-I9 HydrophobicContact CD1-CD1 4.03Å; L4-I9 HydrophobicContact CD1-CG1 3.66Å; L4-I9 HydrophobicContact CG-CD1 4.15Å; L4-I9 HydrophobicContact CG-CG1 4.34Å; T5-I9 PolarHBondContact O-N 2.94Å; T5-I9 VanDerWaalsContact O-N 3.16Å; A6-I9 WeakPolarHBondContact O-CB 3.49Å; A6-I9 PolarHBondContact O-N 3.31Å; E7-I9 VanDerWaalsContact C-N 3.33Å; E7-I9 PolarHBondContact O-N 3.39Å; I9-A12 PolarHBondContact O-N 3.04Å; I9-L24 HydrophobicContact CG2-CD2 4.12Å; I9-N36 VanDerWaalsContact CD1-O 3.3Å; I9-N36 WeakPolarHBondContact CD1-O 3.41Å; I9-L37 HydrophobicContact CD1-CD2 4.09Å; I9-A39 HydrophobicContact CB-CB 4.41Å; I9-A39 HydrophobicContact CD1-CB 4.11Å; I9-A39 HydrophobicContact CG2-CB 4.24Å; I9-T40 HydrophobicContact CG2-CG2 3.84Å
10	E	95.8	Very high	95.3	Very high	136 Å²	136	83.5 Å²	83.5	64%	0.636	44%	0.44	S	S	*	.	H	α-helix	trans	-66	-37.4	178.6	-72.2	173.6	-171.3	0	0	112.4	A6 E7	A6-E10 WeakPolarHBondContact O-CG 3.44Å; A6-E10 PolarHBondContact O-N 3.43Å; E7-E10 PolarHBondContact O-N 3.15Å
11	Q	96.7	Very high	95.5	Very high	136 Å²	136	81 Å²	81	64%	0.636	43%	0.427	S	S	*	.	H	α-helix	trans	-84.4	-17.6	-179.6	-67.5	173.4	8.7	0	0	113.9	E7 L8	E7-Q11 WeakPolarHBondContact O-CB 3.46Å; E7-Q11 VanDerWaalsContact O-CG 3.29Å; E7-Q11 WeakPolarHBondContact O-CG 3.14Å; E7-Q11 PolarHBondContact O-N 3.05Å; E7-Q11 PolarHBondContact OE1-NE2 3.26Å; L8-Q11 PolarHBondContact O-N 3.49Å
12	A	97.8	Very high	96.7	Very high	5 Å²	5	77.3 Å²	77.3	4%	0.041	40%	0.404	C	S	.	.	S	Bend	trans	-62.6	152	-179.9	0	0	0	0	0	112	L8 I9 Q14 L24 L26	L8-A12 VanDerWaalsContact O-CB 3.29Å; L8-A12 WeakPolarHBondContact O-CB 3.48Å; L8-A12 PolarHBondContact O-N 3.43Å; I9-A12 PolarHBondContact O-N 3.04Å; A12-Q14 PolarHBondContact O-N 3.28Å; A12-L24 HydrophobicContact CB-CD1 3.86Å; A12-L26 HydrophobicContact CB-CD2 3.76Å
13	A	97.8	Very high	97.3	Very high	53 Å²	53	74.8 Å²	74.8	44%	0.438	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	135.9	179.1	0	0	0	0	0	110.6	D25	A13-D25 HydrophobicContact CB-CB 4.16Å; A13-D25 PolarHBondContact O-N 2.85Å
14	Q	97.5	Very high	97.6	Very high	81 Å²	81	67.9 Å²	67.9	38%	0.379	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	128.1	-179.4	-60.1	172.9	52	0	0	108.3	A12 E23 L24 F44	A12-Q14 PolarHBondContact O-N 3.28Å; Q14-E23 WeakPolarHBondContact CA-O 3.4Å; Q14-L24 HydrophobicContact CG-CD1 3.68Å; Q14-F44 HydrophobicContact CB-CE1 4.14Å; Q14-F44 HydrophobicContact CG-CE1 3.75Å; Q14-F44 HydrophobicContact CG-CZ 3.91Å
15	Y	98.4	Very high	97.7	Very high	80 Å²	80	69.3 Å²	69.3	31%	0.314	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	170.4	-176.4	52.2	-98.6	0	0	0	111.7	N17 E23 D25 R27	Y15-N17 HydrophobicContact CD2-CB 4.34Å; Y15-N17 HydrophobicContact CE2-CB 4.04Å; Y15-E23 HydrophobicContact CD2-CB 4.32Å; Y15-E23 HydrophobicContact CE2-CB 3.93Å; Y15-E23 HydrophobicContact CE2-CG 4.2Å; Y15-E23 PolarHBondContact N-O 3.24Å; Y15-E23 VanDerWaalsContact N-O 3.12Å; Y15-E23 PolarHBondContact O-N 3.2Å; Y15-E23 PolarHBondContact OH-OE1 3.04Å; Y15-D25 HydrophobicContact CE1-CB 3.9Å; Y15-R27 PolarHBondContact OH-NH2 3.19Å
16	T	98.3	Very high	97.7	Very high	103 Å²	103	66.5 Å²	66.5	63%	0.632	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	120.6	165.8	-58.9	0	0	0	0	108.6	R20 D21	T16-R20 HydrophobicContact CG2-CB 4.44Å; T16-D21 CarbonylContact C-O 3.58Å; T16-D21 WeakPolarHBondContact CA-O 3.3Å
17	N	98.1	Very high	97.8	Very high	25 Å²	25	69 Å²	69	13%	0.134	35%	0.349	C	S	.	.			trans	-79.6	-179.5	-177	72.4	15.3	0	0	0	112.4	Y15 V19 R20 D21 E23	Y15-N17 HydrophobicContact CD2-CB 4.34Å; Y15-N17 HydrophobicContact CE2-CB 4.04Å; N17-V19 PolarHBondContact O-N 3.31Å; N17-V19 VanDerWaalsContact O-N 3.17Å; N17-V19 WeakPolarHBondContact OD1-CG2 3.31Å; N17-V19 PolarHBondContact OD1-N 3.21Å; N17-R20 PolarHBondContact O-N 2.96Å; N17-R20 PolarHBondContact OD1-N 3.27Å; N17-D21 PolarHBondContact N-O 3.48Å; N17-D21 PolarHBondContact OD1-N 3.4Å; N17-D21 PolarHBondContact OD1-O 3.49Å; N17-E23 HydrophobicContact CB-CB 4.13Å; N17-E23 VanDerWaalsContact CB-OE2 3.26Å; N17-E23 WeakPolarHBondContact CB-OE2 3.49Å; N17-E23 PolarHBondContact ND2-OE2 3.48Å
18	A	97.9	Very high	97.8	Very high	110 Å²	110	65.3 Å²	65.3	91%	0.909	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.2	-176.3	0	0	0	0	0	114.5
19	V	97.1	Very high	97.8	Very high	106 Å²	106	68.4 Å²	68.4	64%	0.642	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	10.6	176.1	-61.6	0	0	0	0	112.8	N17 D21	N17-V19 PolarHBondContact O-N 3.31Å; N17-V19 VanDerWaalsContact O-N 3.17Å; N17-V19 WeakPolarHBondContact OD1-CG2 3.31Å; N17-V19 PolarHBondContact OD1-N 3.21Å; V19-D21 VanDerWaalsContact C-N 3.32Å; V19-D21 HydrophobicContact CG2-CB 4.26Å
20	R	97.7	Very high	97.8	Very high	219 Å²	219	73.9 Å²	73.9	83%	0.826	38%	0.379	S	S	*	.	S	Bend	trans	69.6	22.2	178.6	-51.6	178	176.3	173.7	-2	115.1	T16 N17	T16-R20 HydrophobicContact CG2-CB 4.44Å; N17-R20 PolarHBondContact O-N 2.96Å; N17-R20 PolarHBondContact OD1-N 3.27Å
21	D	98.2	Very high	97.9	Very high	31 Å²	31	67.4 Å²	67.4	17%	0.166	35%	0.349	C	S	.	.			trans	-90.3	147.1	172.2	-83.8	-21.4	0	0	0	110.5	T16 N17 V19 E23 D45	T16-D21 CarbonylContact C-O 3.58Å; T16-D21 WeakPolarHBondContact CA-O 3.3Å; N17-D21 PolarHBondContact N-O 3.48Å; N17-D21 PolarHBondContact OD1-N 3.4Å; N17-D21 PolarHBondContact OD1-O 3.49Å; V19-D21 VanDerWaalsContact C-N 3.32Å; V19-D21 HydrophobicContact CG2-CB 4.26Å; D21-E23 PolarHBondContact O-N 2.63Å; D21-D45 HydrophobicContact CB-CB 3.61Å
22	R	98.6	Very high	97.9	Very high	80 Å²	80	61.9 Å²	61.9	30%	0.302	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	116.7	171.3	-172.1	177	172.5	-164.8	-7.1	108.9	Q43 F44 D45 A46	R22-Q43 WeakPolarHBondContact CD-O 3.3Å; R22-Q43 VanDerWaalsContact NH2-OE1 3.08Å; R22-F44 HydrophobicContact CG-CD1 3.88Å; R22-F44 HydrophobicContact CG-CE1 4.28Å; R22-D45 PolarHBondContact N-OD2 3.28Å; R22-D45 PolarHBondContact O-N 3.36Å; R22-A46 PolarHBondContact O-N 2.92Å; R22-A46 VanDerWaalsContact O-N 3.12Å
23	E	98.7	Very high	97.9	Very high	14 Å²	14	65.4 Å²	65.4	7%	0.065	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	137.3	-173	-171	171.7	119.9	0	0	111.5	Q14 Y15 N17 D21 A46	Q14-E23 WeakPolarHBondContact CA-O 3.4Å; Y15-E23 HydrophobicContact CD2-CB 4.32Å; Y15-E23 HydrophobicContact CE2-CB 3.93Å; Y15-E23 HydrophobicContact CE2-CG 4.2Å; Y15-E23 PolarHBondContact N-O 3.24Å; Y15-E23 VanDerWaalsContact N-O 3.12Å; Y15-E23 PolarHBondContact O-N 3.2Å; Y15-E23 PolarHBondContact OH-OE1 3.04Å; N17-E23 HydrophobicContact CB-CB 4.13Å; N17-E23 VanDerWaalsContact CB-OE2 3.26Å; N17-E23 WeakPolarHBondContact CB-OE2 3.49Å; N17-E23 PolarHBondContact ND2-OE2 3.48Å; D21-E23 PolarHBondContact O-N 2.63Å; E23-A46 WeakPolarHBondContact CA-O 3.49Å; E23-A46 HydrophobicContact CB-CB 4.21Å; E23-A46 HydrophobicContact CG-CB 4.01Å
24	L	98.7	Very high	97.9	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	123	168.4	179.8	66.8	0	0	0	109.4	I9 A12 Q14 L26 T40 F44 A46 I47 D48	I9-L24 HydrophobicContact CG2-CD2 4.12Å; A12-L24 HydrophobicContact CB-CD1 3.86Å; Q14-L24 HydrophobicContact CG-CD1 3.68Å; L24-L26 HydrophobicContact CD2-CD1 3.82Å; L24-L26 HydrophobicContact CD2-CD2 4.46Å; L24-L26 HydrophobicContact CD2-CG 4.07Å; L24-L26 HydrophobicContact CG-CD1 4.3Å; L24-L26 HydrophobicContact CG-CD2 4.44Å; L24-L26 HydrophobicContact CG-CG 4.03Å; L24-T40 HydrophobicContact CD2-CG2 3.88Å; L24-F44 HydrophobicContact CB-CD1 3.66Å; L24-F44 HydrophobicContact CB-CD2 4.23Å; L24-F44 HydrophobicContact CB-CE1 3.74Å; L24-F44 HydrophobicContact CB-CE2 4.3Å; L24-F44 HydrophobicContact CB-CG 3.92Å; L24-F44 HydrophobicContact CB-CZ 4.06Å; L24-F44 HydrophobicContact CD1-CE1 4.17Å; L24-F44 HydrophobicContact CD1-CE2 4.48Å; L24-F44 HydrophobicContact CD1-CZ 3.93Å; L24-F44 HydrophobicContact CD2-CD2 4.45Å; L24-F44 HydrophobicContact CD2-CE2 4.21Å; L24-F44 HydrophobicContact CD2-CZ 4.45Å; L24-F44 HydrophobicContact CG-CE1 4.47Å; L24-F44 HydrophobicContact CG-CZ 4.37Å; L24-A46 PolarHBondContact N-O 2.89Å; L24-I47 HydrophobicContact CB-CG1 4.24Å; L24-D48 PolarHBondContact O-N 3.49Å
25	D	98.5	Very high	97.8	Very high	30 Å²	30	62.2 Å²	62.2	16%	0.16	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	105.2	-179.8	-170.7	-9.3	0	0	0	111.3	A13 Y15 R27	A13-D25 HydrophobicContact CB-CB 4.16Å; A13-D25 PolarHBondContact O-N 2.85Å; Y15-D25 HydrophobicContact CE1-CB 3.9Å; D25-R27 VanDerWaalsContact CG-NE 3.33Å; D25-R27 WeakPolarHBondContact OD1-CB 3.28Å; D25-R27 WeakPolarHBondContact OD1-CG 3.28Å; D25-R27 IonicContact OD1-CZ 3.17Å; D25-R27 PolarHBondContact OD1-N 2.73Å; D25-R27 IonicContact OD1-NE 3.6Å; D25-R27 PolarHBondContact OD1-NE 3.37Å; D25-R27 IonicContact OD1-NH2 2.62Å; D25-R27 IonicContact OD2-CZ 2.7Å; D25-R27 IonicContact OD2-NE 3.46Å; D25-R27 PolarHBondContact OD2-NE 2.91Å; D25-R27 VanDerWaalsContact OD2-NE 3.17Å; D25-R27 IonicContact OD2-NH2 2.75Å; D25-R27 PolarHBondContact OD2-NH2 2.91Å
26	L	98.4	Very high	97.8	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.328	C	S	.	.			trans	-111.3	27.8	175	-64.3	172.8	0	0	0	111.3	L4 A12 L24 I31 L37 I47 D48 F49 N52	L4-L26 HydrophobicContact CD1-CD1 4.11Å; L4-L26 HydrophobicContact CD1-CD2 4.16Å; A12-L26 HydrophobicContact CB-CD2 3.76Å; L24-L26 HydrophobicContact CD2-CD1 3.82Å; L24-L26 HydrophobicContact CD2-CD2 4.46Å; L24-L26 HydrophobicContact CD2-CG 4.07Å; L24-L26 HydrophobicContact CG-CD1 4.3Å; L24-L26 HydrophobicContact CG-CD2 4.44Å; L24-L26 HydrophobicContact CG-CG 4.03Å; L26-I31 HydrophobicContact CB-CD1 4.23Å; L26-L37 HydrophobicContact CD1-CD2 4.47Å; L26-I47 HydrophobicContact CD1-CG2 3.96Å; L26-D48 CarbonylContact C-O 3.59Å; L26-D48 VanDerWaalsContact C-O 3.28Å; L26-D48 VanDerWaalsContact CA-O 3.27Å; L26-D48 WeakPolarHBondContact CA-O 3.33Å; L26-D48 WeakPolarHBondContact CB-O 3.42Å; L26-D48 PolarHBondContact N-O 3.22Å; L26-F49 HydrophobicContact CB-CD1 3.9Å; L26-F49 HydrophobicContact CB-CE1 4.02Å; L26-F49 HydrophobicContact CD1-CD1 4.05Å; L26-F49 HydrophobicContact CD1-CE1 3.33Å; L26-F49 HydrophobicContact CD1-CE2 4.43Å; L26-F49 HydrophobicContact CD1-CZ 3.58Å; L26-F49 HydrophobicContact CG-CE1 4.32Å; L26-N52 PolarHBondContact O-ND2 3.14Å
27	R	98.1	Very high	97.8	Very high	94 Å²	94	57.6 Å²	57.6	36%	0.355	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	144.7	-178.7	-68.9	179.2	-83.9	-142.2	4.7	113.2	Y15 D25 Y29 D48 S50	Y15-R27 PolarHBondContact OH-NH2 3.19Å; D25-R27 VanDerWaalsContact CG-NE 3.33Å; D25-R27 WeakPolarHBondContact OD1-CB 3.28Å; D25-R27 WeakPolarHBondContact OD1-CG 3.28Å; D25-R27 IonicContact OD1-CZ 3.17Å; D25-R27 PolarHBondContact OD1-N 2.73Å; D25-R27 IonicContact OD1-NE 3.6Å; D25-R27 PolarHBondContact OD1-NE 3.37Å; D25-R27 IonicContact OD1-NH2 2.62Å; D25-R27 IonicContact OD2-CZ 2.7Å; D25-R27 IonicContact OD2-NE 3.46Å; D25-R27 PolarHBondContact OD2-NE 2.91Å; D25-R27 VanDerWaalsContact OD2-NE 3.17Å; D25-R27 IonicContact OD2-NH2 2.75Å; D25-R27 PolarHBondContact OD2-NH2 2.91Å; R27-Y29 VanDerWaalsContact C-N 3.26Å; R27-Y29 VanDerWaalsContact O-CD2 3.28Å; R27-Y29 WeakPolarHBondContact O-CD2 3.41Å; R27-Y29 PolarHBondContact O-N 2.95Å; R27-Y29 VanDerWaalsContact O-N 3.12Å; R27-D48 WeakPolarHBondContact CD-OD2 3.48Å; R27-D48 HydrophobicContact CG-CB 4.2Å; R27-D48 IonicContact CZ-OD2 3.69Å; R27-D48 VanDerWaalsContact CZ-OD2 3.29Å; R27-D48 PolarHBondContact N-O 2.92Å; R27-D48 IonicContact NE-OD2 3.41Å; R27-D48 PolarHBondContact NE-OD2 3.43Å; R27-D48 IonicContact NH1-OD2 3.34Å; R27-D48 PolarHBondContact NH1-OD2 3.39Å; R27-S50 WeakPolarHBondContact CA-O 3.4Å
28	G	97.3	Very high	97.7	Very high	46 Å²	46	58.6 Å²	58.6	47%	0.474	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	72	5.1	164.4	0	0	0	0	0	117.1	K30 S50 D51	G28-K30 PolarHBondContact O-N 3.16Å; G28-S50 PolarHBondContact N-O 2.95Å; G28-S50 VanDerWaalsContact N-O 3.16Å; G28-D51 VanDerWaalsContact CA-O 3.31Å; G28-D51 WeakPolarHBondContact CA-O 3.41Å; G28-D51 PolarHBondContact N-O 2.97Å
29	Y	97.2	Very high	97.7	Very high	83 Å²	83	54.9 Å²	54.9	33%	0.325	28%	0.284	S	S	.	.	S	Bend	trans	-78.2	-1.7	-178.2	-72.5	-73.4	0	0	0	114.3	V2 L8 R27 I31 N52	V2-Y29 VanDerWaalsContact CB-O 3.28Å; V2-Y29 WeakPolarHBondContact CB-O 3.45Å; V2-Y29 VanDerWaalsContact CG2-O 3.28Å; V2-Y29 WeakPolarHBondContact CG2-O 3.34Å; L8-Y29 HydrophobicContact CD1-CD1 3.71Å; L8-Y29 HydrophobicContact CD1-CE1 3.62Å; L8-Y29 HydrophobicContact CD1-CG 4.25Å; L8-Y29 HydrophobicContact CD2-CD1 4.45Å; L8-Y29 HydrophobicContact CD2-CG 4.3Å; R27-Y29 VanDerWaalsContact C-N 3.26Å; R27-Y29 VanDerWaalsContact O-CD2 3.28Å; R27-Y29 WeakPolarHBondContact O-CD2 3.41Å; R27-Y29 PolarHBondContact O-N 2.95Å; R27-Y29 VanDerWaalsContact O-N 3.12Å; Y29-I31 VanDerWaalsContact C-N 3.26Å; Y29-I31 PolarHBondContact O-N 3.22Å; Y29-N52 PolarHBondContact N-OD1 3.48Å
30	K	96.9	Very high	97.8	Very high	120 Å²	120	50.1 Å²	50.1	52%	0.522	26%	0.255	S	S	.	.			trans	57.4	40.1	-174.6	-50.8	179	-178.5	177	0	112.1	V2 G28 N52 E53	V2-K30 PolarHBondContact N-O 2.68Å; G28-K30 PolarHBondContact O-N 3.16Å; K30-N52 PolarHBondContact N-OD1 2.65Å; K30-E53 HydrophobicContact CB-CG 4.5Å
31	I	97.7	Very high	97.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.248	C	C	.	.			trans	-68.8	125.2	178.1	-65.1	160.5	0	0	0	109.2	L4 L8 L26 Y29 V33 F49 N52 E53 I54	L4-I31 HydrophobicContact CB-CG2 3.98Å; L4-I31 HydrophobicContact CD1-CD1 4.05Å; L8-I31 HydrophobicContact CD2-CD1 4.43Å; L26-I31 HydrophobicContact CB-CD1 4.23Å; Y29-I31 VanDerWaalsContact C-N 3.26Å; Y29-I31 PolarHBondContact O-N 3.22Å; I31-V33 WeakPolarHBondContact CG2-O 3.35Å; I31-F49 HydrophobicContact CD1-CD1 4.38Å; I31-F49 HydrophobicContact CD1-CE1 4.33Å; I31-N52 HydrophobicContact CB-CB 4.22Å; I31-N52 WeakPolarHBondContact CB-OD1 3.29Å; I31-N52 PolarHBondContact N-OD1 3.22Å; I31-E53 CarbonylContact O-C 3.32Å; I31-E53 VanDerWaalsContact O-C 3.26Å; I31-E53 WeakPolarHBondContact O-CA 3.26Å; I31-E53 PolarHBondContact O-N 3.14Å; I31-I54 HydrophobicContact CG2-CG1 4.22Å; I31-I54 WeakPolarHBondContact O-CG1 3.42Å; I31-I54 PolarHBondContact O-N 3.32Å; I31-I54 VanDerWaalsContact O-N 3.17Å
32	P	96.6	Very high	97.7	Very high	19 Å²	19	46.5 Å²	46.5	12%	0.123	25%	0.251	C	S	.	.			trans	-90.9	-25.2	-179.3	36	-38.1	0	0	0	114	M1 V2 I54	M1-P32 HydrophobicContact CE-CB 3.67Å; M1-P32 HydrophobicContact CE-CG 4.36Å; M1-P32 HydrophobicContact CG-CB 3.75Å; M1-P32 HydrophobicContact CG-CG 3.48Å; M1-P32 VanDerWaalsContact CG-CG 3.48Å; M1-P32 HydrophobicContact SD-CB 3.59Å; M1-P32 VanDerWaalsContact SD-CB 3.59Å; M1-P32 HydrophobicContact SD-CG 3.61Å; V2-P32 WeakPolarHBondContact O-CD 3.46Å; P32-I54 WeakPolarHBondContact O-CA 3.22Å
33	V	97.6	Very high	97.7	Very high	79 Å²	79	46.5 Å²	46.5	48%	0.479	26%	0.255	S	S	.	.	S	Bend	trans	-145.9	136.3	-169.4	-179.1	0	0	0	0	108.1	I31	I31-V33 WeakPolarHBondContact CG2-O 3.35Å
34	I	97.7	Very high	97.7	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.026	25%	0.253	C	S	.	.			trans	-81	121.1	170.9	-61.5	175.4	0	0	0	107.6	L37 F49 I54 L57 D58 F60	I34-L37 HydrophobicContact CG2-CD1 3.46Å; I34-L37 VanDerWaalsContact CG2-CD1 3.46Å; I34-L37 HydrophobicContact CG2-CG 4.11Å; I34-F49 HydrophobicContact CD1-CE2 4.34Å; I34-F49 HydrophobicContact CG1-CE1 4.5Å; I34-F49 HydrophobicContact CG1-CZ 4.3Å; I34-F49 HydrophobicContact CG2-CZ 4.36Å; I34-I54 HydrophobicContact CD1-CD1 4.11Å; I34-I54 HydrophobicContact CD1-CG2 4.08Å; I34-I54 HydrophobicContact CG1-CD1 3.79Å; I34-I54 HydrophobicContact CG1-CG1 4.34Å; I34-I54 HydrophobicContact CG1-CG2 3.88Å; I34-L57 HydrophobicContact CD1-CD1 4.24Å; I34-D58 WeakPolarHBondContact CB-O 3.42Å; I34-F60 HydrophobicContact CD1-CE1 4.14Å; I34-F60 HydrophobicContact CD1-CE2 3.93Å; I34-F60 HydrophobicContact CD1-CZ 3.41Å; I34-F60 VanDerWaalsContact CD1-CZ 3.41Å; I34-F60 HydrophobicContact CG2-CD1 4.23Å; I34-F60 HydrophobicContact CG2-CE1 3.98Å; I34-F60 HydrophobicContact CG2-CE2 4.45Å; I34-F60 HydrophobicContact CG2-CZ 4.1Å
35	E	97.2	Very high	97.7	Very high	62 Å²	62	46.4 Å²	46.4	29%	0.29	25%	0.254	S	S	.	.			trans	-156.6	168.1	-178.7	56.4	-179.2	171.3	0	0	109.6	L4 L37	L4-E35 HydrophobicContact CB-CG 4.05Å; L4-E35 VanDerWaalsContact CD2-O 3.24Å; L4-E35 WeakPolarHBondContact CD2-O 3.36Å; L4-E35 WeakPolarHBondContact CG-O 3.4Å; E35-L37 PolarHBondContact O-N 3.18Å
36	N	97.1	Very high	97.7	Very high	85 Å²	85	45 Å²	45	46%	0.455	25%	0.247	S	C	.	.			trans	56.4	15.7	174.3	-55.2	-49.2	0	0	0	116.5	L4 I9 G38 A39	L4-N36 WeakPolarHBondContact O-CB 3.39Å; L4-N36 PolarHBondContact O-ND2 3.44Å; I9-N36 VanDerWaalsContact CD1-O 3.3Å; I9-N36 WeakPolarHBondContact CD1-O 3.41Å; N36-G38 PolarHBondContact O-N 3.11Å; N36-A39 WeakPolarHBondContact O-CB 3.5Å; N36-A39 PolarHBondContact O-N 3.33Å; N36-A39 VanDerWaalsContact O-N 3.1Å
37	L	98	Very high	97.7	Very high	1 Å²	1	45 Å²	45	1%	0.005	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-64.1	-6.3	176.7	-76.4	-177.7	0	0	0	113.7	L4 I9 L26 I34 E35 A39 T40 I47 F49 F60 P61	L4-L37 HydrophobicContact CD2-CD2 4.12Å; L4-L37 HydrophobicContact CD2-CG 4.31Å; I9-L37 HydrophobicContact CD1-CD2 4.09Å; L26-L37 HydrophobicContact CD1-CD2 4.47Å; I34-L37 HydrophobicContact CG2-CD1 3.46Å; I34-L37 VanDerWaalsContact CG2-CD1 3.46Å; I34-L37 HydrophobicContact CG2-CG 4.11Å; E35-L37 PolarHBondContact O-N 3.18Å; L37-A39 PolarHBondContact O-N 2.96Å; L37-T40 HydrophobicContact CD2-CG2 3.88Å; L37-T40 WeakPolarHBondContact O-CB 3.5Å; L37-T40 WeakPolarHBondContact O-CG2 3.49Å; L37-T40 PolarHBondContact O-N 3.47Å; L37-T40 VanDerWaalsContact O-N 3.08Å; L37-T40 PolarHBondContact O-OG1 2.91Å; L37-I47 HydrophobicContact CD2-CD1 4.45Å; L37-F49 HydrophobicContact CD1-CE2 4.31Å; L37-F49 HydrophobicContact CD1-CZ 4.1Å; L37-F49 HydrophobicContact CD2-CZ 4.07Å; L37-F49 HydrophobicContact CG-CZ 4.49Å; L37-F60 HydrophobicContact CD1-CD1 3.44Å; L37-F60 VanDerWaalsContact CD1-CD1 3.44Å; L37-F60 HydrophobicContact CD1-CE1 3.67Å; L37-F60 HydrophobicContact CD1-CG 4.45Å; L37-P61 VanDerWaalsContact CB-CD 3.5Å; L37-P61 HydrophobicContact CB-CG 3.94Å
38	G	97.3	Very high	97.7	Very high	47 Å²	47	40.8 Å²	40.8	49%	0.485	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-61	-26.4	170	0	0	0	0	0	112.5	N36 T40 L41	N36-G38 PolarHBondContact O-N 3.11Å; G38-T40 PolarHBondContact O-N 3.24Å; G38-T40 VanDerWaalsContact O-N 3.16Å; G38-L41 PolarHBondContact O-N 3.15Å; G38-L41 VanDerWaalsContact O-N 3.16Å
39	A	97.7	Very high	97.8	Very high	32 Å²	32	38.6 Å²	38.6	26%	0.264	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-63.3	-16.8	174.5	0	0	0	0	0	113.5	A6 I9 N36 L37 L41	A6-A39 HydrophobicContact CB-CB 3.82Å; I9-A39 HydrophobicContact CB-CB 4.41Å; I9-A39 HydrophobicContact CD1-CB 4.11Å; I9-A39 HydrophobicContact CG2-CB 4.24Å; N36-A39 WeakPolarHBondContact O-CB 3.5Å; N36-A39 PolarHBondContact O-N 3.33Å; N36-A39 VanDerWaalsContact O-N 3.1Å; L37-A39 PolarHBondContact O-N 2.96Å; A39-L41 PolarHBondContact O-N 2.98Å
40	T	97.6	Very high	97.9	Very high	5 Å²	5	35 Å²	35	3%	0.031	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-74.3	-13.4	176.6	67.6	0	0	0	0	113.9	I9 L24 L37 G38 D42 Q43 F44	I9-T40 HydrophobicContact CG2-CG2 3.84Å; L24-T40 HydrophobicContact CD2-CG2 3.88Å; L37-T40 HydrophobicContact CD2-CG2 3.88Å; L37-T40 WeakPolarHBondContact O-CB 3.5Å; L37-T40 WeakPolarHBondContact O-CG2 3.49Å; L37-T40 PolarHBondContact O-N 3.47Å; L37-T40 VanDerWaalsContact O-N 3.08Å; L37-T40 PolarHBondContact O-OG1 2.91Å; G38-T40 PolarHBondContact O-N 3.24Å; G38-T40 VanDerWaalsContact O-N 3.16Å; T40-D42 PolarHBondContact O-N 3.37Å; T40-D42 VanDerWaalsContact O-N 3.07Å; T40-Q43 WeakPolarHBondContact O-CG 3.32Å; T40-Q43 PolarHBondContact O-N 3.4Å; T40-F44 HydrophobicContact CG2-CD2 4.19Å; T40-F44 HydrophobicContact CG2-CE2 4.09Å
41	L	97.3	Very high	97.9	Very high	129 Å²	129	33.3 Å²	33.3	68%	0.675	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	30.3	-179	-56	178.6	0	0	0	114	G38 A39 Q43	G38-L41 PolarHBondContact O-N 3.15Å; G38-L41 VanDerWaalsContact O-N 3.16Å; A39-L41 PolarHBondContact O-N 2.98Å; L41-Q43 HydrophobicContact CB-CG 4.01Å; L41-Q43 WeakPolarHBondContact O-CG 2.85Å; L41-Q43 PolarHBondContact O-N 2.92Å
42	D	97.9	Very high	98	Very high	45 Å²	45	33.7 Å²	33.7	24%	0.241	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	32.7	-179.1	-164.2	27.2	0	0	0	114	T40 L63 R64 R65	T40-D42 PolarHBondContact O-N 3.37Å; T40-D42 VanDerWaalsContact O-N 3.07Å; D42-L63 HydrophobicContact CB-CD2 4.2Å; D42-L63 WeakPolarHBondContact OD1-CA 3.39Å; D42-R64 PolarHBondContact OD1-N 2.81Å; D42-R64 WeakPolarHBondContact OD2-CB 3.26Å; D42-R64 PolarHBondContact OD2-N 2.85Å; D42-R65 VanDerWaalsContact O-CB 3.32Å; D42-R65 WeakPolarHBondContact O-CB 3.49Å; D42-R65 WeakPolarHBondContact O-CD 3.32Å; D42-R65 WeakPolarHBondContact OD1-CB 3.33Å; D42-R65 PolarHBondContact OD1-N 2.64Å; D42-R65 PolarHBondContact OD2-N 3.47Å
43	Q	97.8	Very high	98	Very high	80 Å²	80	35 Å²	35	37%	0.374	20%	0.199	S	C	.	.			trans	-93.1	-9.5	-173.2	-59.7	-171.8	-1.4	0	0	115.2	R22 T40 L41 R65	R22-Q43 WeakPolarHBondContact CD-O 3.3Å; R22-Q43 VanDerWaalsContact NH2-OE1 3.08Å; T40-Q43 WeakPolarHBondContact O-CG 3.32Å; T40-Q43 PolarHBondContact O-N 3.4Å; L41-Q43 HydrophobicContact CB-CG 4.01Å; L41-Q43 WeakPolarHBondContact O-CG 2.85Å; L41-Q43 PolarHBondContact O-N 2.92Å; Q43-R65 VanDerWaalsContact C-CD 3.48Å; Q43-R65 WeakPolarHBondContact O-CD 3.43Å; Q43-R65 PolarHBondContact O-NE 2.83Å
44	F	98.6	Very high	98	Very high	9 Å²	9	31.2 Å²	31.2	4%	0.039	18%	0.176	C	C	.	.			trans	-104.2	141	-172.9	-56.3	-84.8	0	0	0	112.3	Q14 R22 L24 T40 I47 R65 L66	Q14-F44 HydrophobicContact CB-CE1 4.14Å; Q14-F44 HydrophobicContact CG-CE1 3.75Å; Q14-F44 HydrophobicContact CG-CZ 3.91Å; R22-F44 HydrophobicContact CG-CD1 3.88Å; R22-F44 HydrophobicContact CG-CE1 4.28Å; L24-F44 HydrophobicContact CB-CD1 3.66Å; L24-F44 HydrophobicContact CB-CD2 4.23Å; L24-F44 HydrophobicContact CB-CE1 3.74Å; L24-F44 HydrophobicContact CB-CE2 4.3Å; L24-F44 HydrophobicContact CB-CG 3.92Å; L24-F44 HydrophobicContact CB-CZ 4.06Å; L24-F44 HydrophobicContact CD1-CE1 4.17Å; L24-F44 HydrophobicContact CD1-CE2 4.48Å; L24-F44 HydrophobicContact CD1-CZ 3.93Å; L24-F44 HydrophobicContact CD2-CD2 4.45Å; L24-F44 HydrophobicContact CD2-CE2 4.21Å; L24-F44 HydrophobicContact CD2-CZ 4.45Å; L24-F44 HydrophobicContact CG-CE1 4.47Å; L24-F44 HydrophobicContact CG-CZ 4.37Å; T40-F44 HydrophobicContact CG2-CD2 4.19Å; T40-F44 HydrophobicContact CG2-CE2 4.09Å; F44-I47 HydrophobicContact CB-CG1 4.38Å; F44-R65 CarbonylContact O-C 3.54Å; F44-L66 PolarHBondContact O-N 3.38Å
45	D	98.7	Very high	98	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	20%	0.2	C	C	.	.	S	Bend	trans	-85.7	-30.2	171.3	-62.8	-79.4	0	0	0	110.9	D21 R22 R65 K67 T68	D21-D45 HydrophobicContact CB-CB 3.61Å; R22-D45 PolarHBondContact N-OD2 3.28Å; R22-D45 PolarHBondContact O-N 3.36Å; D45-R65 IonicContact OD1-CZ 3.55Å; D45-R65 IonicContact OD1-NE 3.26Å; D45-R65 PolarHBondContact OD1-NE 3.49Å; D45-R65 IonicContact OD1-NH2 3.38Å; D45-R65 PolarHBondContact OD1-NH2 2.91Å; D45-R65 IonicContact OD2-CZ 3.08Å; D45-R65 IonicContact OD2-NE 2.75Å; D45-R65 PolarHBondContact OD2-NE 2.83Å; D45-R65 VanDerWaalsContact OD2-NE 3.08Å; D45-R65 IonicContact OD2-NH2 2.81Å; D45-R65 PolarHBondContact OD2-NH2 2.95Å; D45-K67 PolarHBondContact O-N 3.45Å; D45-K67 IonicContact OD1-NZ 3.18Å; D45-K67 PolarHBondContact OD1-NZ 2.95Å; D45-T68 PolarHBondContact O-N 3.35Å
46	A	98.8	Very high	98	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.2	179	0	0	0	0	0	112.2	R22 E23 L24 T68	R22-A46 PolarHBondContact O-N 2.92Å; R22-A46 VanDerWaalsContact O-N 3.12Å; E23-A46 WeakPolarHBondContact CA-O 3.49Å; E23-A46 HydrophobicContact CB-CB 4.21Å; E23-A46 HydrophobicContact CG-CB 4.01Å; L24-A46 PolarHBondContact N-O 2.89Å; A46-T68 VanDerWaalsContact CA-O 3.29Å; A46-T68 WeakPolarHBondContact CA-O 3.43Å; A46-T68 HydrophobicContact CB-CG2 4.43Å
47	I	98.7	Very high	98	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	128.1	168.5	-60.6	168.9	0	0	0	108.3	L24 L26 L37 F44 F49 L63 L66 T68 L69 L70	L24-I47 HydrophobicContact CB-CG1 4.24Å; L26-I47 HydrophobicContact CD1-CG2 3.96Å; L37-I47 HydrophobicContact CD2-CD1 4.45Å; F44-I47 HydrophobicContact CB-CG1 4.38Å; I47-F49 HydrophobicContact CB-CE2 4.33Å; I47-F49 HydrophobicContact CG2-CD2 3.63Å; I47-F49 HydrophobicContact CG2-CE2 3.38Å; I47-F49 HydrophobicContact CG2-CG 4.37Å; I47-F49 HydrophobicContact CG2-CZ 3.94Å; I47-L63 HydrophobicContact CD1-CD1 4.37Å; I47-L66 HydrophobicContact CB-CD1 4.22Å; I47-L66 HydrophobicContact CD1-CD1 3.78Å; I47-L66 HydrophobicContact CD1-CD2 4.1Å; I47-L66 HydrophobicContact CG1-CD1 3.61Å; I47-T68 PolarHBondContact N-O 2.85Å; I47-T68 VanDerWaalsContact N-O 3.11Å; I47-L69 HydrophobicContact CB-CD1 4.12Å; I47-L70 PolarHBondContact O-N 2.99Å; I47-L70 VanDerWaalsContact O-N 3.09Å
48	D	98.7	Very high	98	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.027	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	109.2	175.8	-164.8	-13	0	0	0	111.3	L24 L26 R27 S50 L70	L24-D48 PolarHBondContact O-N 3.49Å; L26-D48 CarbonylContact C-O 3.59Å; L26-D48 VanDerWaalsContact C-O 3.28Å; L26-D48 VanDerWaalsContact CA-O 3.27Å; L26-D48 WeakPolarHBondContact CA-O 3.33Å; L26-D48 WeakPolarHBondContact CB-O 3.42Å; L26-D48 PolarHBondContact N-O 3.22Å; R27-D48 WeakPolarHBondContact CD-OD2 3.48Å; R27-D48 HydrophobicContact CG-CB 4.2Å; R27-D48 IonicContact CZ-OD2 3.69Å; R27-D48 VanDerWaalsContact CZ-OD2 3.29Å; R27-D48 PolarHBondContact N-O 2.92Å; R27-D48 IonicContact NE-OD2 3.41Å; R27-D48 PolarHBondContact NE-OD2 3.43Å; R27-D48 IonicContact NH1-OD2 3.34Å; R27-D48 PolarHBondContact NH1-OD2 3.39Å; D48-S50 WeakPolarHBondContact OD1-CB 3.29Å; D48-S50 PolarHBondContact OD1-N 3.16Å; D48-S50 PolarHBondContact OD1-OG 3.49Å; D48-L70 HydrophobicContact CB-CB 4.31Å; D48-L70 HydrophobicContact CB-CD1 4.19Å
49	F	98.7	Very high	97.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.			trans	-101.6	15	175	-80.1	-69.3	0	0	0	112.9	L4 L26 I31 I34 L37 I47 N52 I54 F60 L69 L70 V71 N74	L4-F49 HydrophobicContact CD2-CE1 3.78Å; L4-F49 HydrophobicContact CD2-CZ 3.97Å; L26-F49 HydrophobicContact CB-CD1 3.9Å; L26-F49 HydrophobicContact CB-CE1 4.02Å; L26-F49 HydrophobicContact CD1-CD1 4.05Å; L26-F49 HydrophobicContact CD1-CE1 3.33Å; L26-F49 HydrophobicContact CD1-CE2 4.43Å; L26-F49 HydrophobicContact CD1-CZ 3.58Å; L26-F49 HydrophobicContact CG-CE1 4.32Å; I31-F49 HydrophobicContact CD1-CD1 4.38Å; I31-F49 HydrophobicContact CD1-CE1 4.33Å; I34-F49 HydrophobicContact CD1-CE2 4.34Å; I34-F49 HydrophobicContact CG1-CE1 4.5Å; I34-F49 HydrophobicContact CG1-CZ 4.3Å; I34-F49 HydrophobicContact CG2-CZ 4.36Å; L37-F49 HydrophobicContact CD1-CE2 4.31Å; L37-F49 HydrophobicContact CD1-CZ 4.1Å; L37-F49 HydrophobicContact CD2-CZ 4.07Å; L37-F49 HydrophobicContact CG-CZ 4.49Å; I47-F49 HydrophobicContact CB-CE2 4.33Å; I47-F49 HydrophobicContact CG2-CD2 3.63Å; I47-F49 HydrophobicContact CG2-CE2 3.38Å; I47-F49 HydrophobicContact CG2-CG 4.37Å; I47-F49 HydrophobicContact CG2-CZ 3.94Å; F49-N52 PolarHBondContact O-ND2 3.39Å; F49-I54 HydrophobicContact CB-CD1 3.89Å; F49-I54 HydrophobicContact CD1-CD1 3.74Å; F49-I54 HydrophobicContact CE1-CD1 4.42Å; F49-I54 HydrophobicContact CG-CD1 3.92Å; F49-F60 HydrophobicContact CE2-CE1 4.43Å; F49-L69 HydrophobicContact CD2-CD1 3.77Å; F49-L69 HydrophobicContact CE2-CD1 4.04Å; F49-L70 WeakPolarHBondContact CA-O 3.5Å; F49-L70 WeakPolarHBondContact CB-O 3.4Å; F49-L70 PolarHBondContact N-O 2.88Å; F49-V71 HydrophobicContact CB-CG1 4.42Å; F49-N74 PolarHBondContact O-ND2 3.2Å
50	S	98.7	Very high	98	Very high	7 Å²	7	36.9 Å²	36.9	5%	0.049	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	149.8	-175.3	-55.8	0	0	0	0	112.4	R27 G28 D48 N52 N72	R27-S50 WeakPolarHBondContact CA-O 3.4Å; G28-S50 PolarHBondContact N-O 2.95Å; G28-S50 VanDerWaalsContact N-O 3.16Å; D48-S50 WeakPolarHBondContact OD1-CB 3.29Å; D48-S50 PolarHBondContact OD1-N 3.16Å; D48-S50 PolarHBondContact OD1-OG 3.49Å; S50-N52 PolarHBondContact O-N 3.43Å; S50-N52 PolarHBondContact O-ND2 3.38Å; S50-N72 CarbonylContact C-O 3.03Å; S50-N72 VanDerWaalsContact CA-O 3.26Å; S50-N72 WeakPolarHBondContact CA-O 3.43Å; S50-N72 WeakPolarHBondContact OG-CB 3.46Å; S50-N72 PolarHBondContact OG-ND2 3.34Å
51	D	98.5	Very high	98	Very high	84 Å²	84	38.9 Å²	38.9	45%	0.449	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	40.6	176.6	-51.9	-59.1	0	0	0	114.2	G28 N72 N73	G28-D51 VanDerWaalsContact CA-O 3.31Å; G28-D51 WeakPolarHBondContact CA-O 3.41Å; G28-D51 PolarHBondContact N-O 2.97Å; D51-N72 PolarHBondContact N-O 3.33Å; D51-N73 WeakPolarHBondContact OD1-CB 3.47Å; D51-N73 PolarHBondContact OD1-ND2 3.32Å
52	N	98.5	Very high	98	Very high	8 Å²	8	36.7 Å²	36.7	4%	0.043	19%	0.187	C	C	.	.	S	Bend	trans	-112.8	-170.6	173.3	-78.2	-69.1	0	0	0	112	L26 Y29 K30 I31 F49 S50 I54 N74	L26-N52 PolarHBondContact O-ND2 3.14Å; Y29-N52 PolarHBondContact N-OD1 3.48Å; K30-N52 PolarHBondContact N-OD1 2.65Å; I31-N52 HydrophobicContact CB-CB 4.22Å; I31-N52 WeakPolarHBondContact CB-OD1 3.29Å; I31-N52 PolarHBondContact N-OD1 3.22Å; F49-N52 PolarHBondContact O-ND2 3.39Å; S50-N52 PolarHBondContact O-N 3.43Å; S50-N52 PolarHBondContact O-ND2 3.38Å; N52-I54 HydrophobicContact CB-CD1 4.18Å; N52-I54 HydrophobicContact CB-CG1 4.07Å; N52-N74 WeakPolarHBondContact CA-OD1 3.32Å; N52-N74 WeakPolarHBondContact CB-OD1 2.92Å; N52-N74 PolarHBondContact O-OD1 2.97Å
53	E	97.6	Very high	98	Very high	46 Å²	46	34.7 Å²	34.7	22%	0.215	18%	0.177	C	C	.	.			trans	-116.1	23.7	-178.8	-59.9	-167.7	-170.3	0	0	112.6	K30 I31 R55 N74 R75	K30-E53 HydrophobicContact CB-CG 4.5Å; I31-E53 CarbonylContact O-C 3.32Å; I31-E53 VanDerWaalsContact O-C 3.26Å; I31-E53 WeakPolarHBondContact O-CA 3.26Å; I31-E53 PolarHBondContact O-N 3.14Å; E53-R55 PolarHBondContact O-N 2.93Å; E53-N74 PolarHBondContact N-OD1 3.24Å; E53-R75 IonicContact OE1-NH2 2.83Å; E53-R75 IonicContact OE2-CZ 3.7Å; E53-R75 IonicContact OE2-NH1 3.81Å; E53-R75 PolarHBondContact OE2-NH1 2.96Å; E53-R75 IonicContact OE2-NH2 2.68Å; E53-R75 PolarHBondContact OE2-NH2 2.82Å
54	I	98	Very high	98	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.188	C	C	.	.			trans	-66.3	130.5	-172.6	-54.4	165.1	0	0	0	109.6	I31 P32 I34 F49 N52 K56 N74 R75 I76	I31-I54 HydrophobicContact CG2-CG1 4.22Å; I31-I54 WeakPolarHBondContact O-CG1 3.42Å; I31-I54 PolarHBondContact O-N 3.32Å; I31-I54 VanDerWaalsContact O-N 3.17Å; P32-I54 WeakPolarHBondContact O-CA 3.22Å; I34-I54 HydrophobicContact CD1-CD1 4.11Å; I34-I54 HydrophobicContact CD1-CG2 4.08Å; I34-I54 HydrophobicContact CG1-CD1 3.79Å; I34-I54 HydrophobicContact CG1-CG1 4.34Å; I34-I54 HydrophobicContact CG1-CG2 3.88Å; F49-I54 HydrophobicContact CB-CD1 3.89Å; F49-I54 HydrophobicContact CD1-CD1 3.74Å; F49-I54 HydrophobicContact CE1-CD1 4.42Å; F49-I54 HydrophobicContact CG-CD1 3.92Å; N52-I54 HydrophobicContact CB-CD1 4.18Å; N52-I54 HydrophobicContact CB-CG1 4.07Å; I54-K56 WeakPolarHBondContact CG2-O 3.4Å; I54-N74 VanDerWaalsContact CB-OD1 3.3Å; I54-N74 WeakPolarHBondContact CB-OD1 3.02Å; I54-N74 VanDerWaalsContact CG1-OD1 3.32Å; I54-N74 WeakPolarHBondContact CG1-OD1 3.45Å; I54-N74 PolarHBondContact N-OD1 3.45Å; I54-R75 CarbonylContact O-C 3.21Å; I54-R75 VanDerWaalsContact O-CA 3.27Å; I54-R75 WeakPolarHBondContact O-CA 3.39Å; I54-R75 PolarHBondContact O-N 3.07Å; I54-I76 HydrophobicContact CB-CD1 3.9Å; I54-I76 HydrophobicContact CG2-CD1 3.47Å; I54-I76 VanDerWaalsContact CG2-CD1 3.47Å; I54-I76 PolarHBondContact O-N 3.2Å
55	R	96.7	Very high	98	Very high	139 Å²	139	43.5 Å²	43.5	53%	0.525	21%	0.206	S	C	.	.			trans	-103.5	-25.6	-177.3	-66.3	-178.4	-178.7	-88.1	3.4	115.2	E53 R75 I76 C77	E53-R55 PolarHBondContact O-N 2.93Å; R55-R75 WeakPolarHBondContact CA-O 3.34Å; R55-R75 HydrophobicContact CG-CB 4.1Å; R55-I76 WeakPolarHBondContact O-CA 3.49Å; R55-C77 PolarHBondContact O-N 3.13Å; R55-C77 PolarHBondContact O-SG 3.31Å
56	K	97.4	Very high	98	Very high	98 Å²	98	43.4 Å²	43.4	43%	0.426	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	128.6	-178.2	-170.1	-171.6	-175.9	-164	0	108.7	I54 D58 R78	I54-K56 WeakPolarHBondContact CG2-O 3.4Å; K56-D58 HydrophobicContact CD-CB 3.8Å; K56-D58 WeakPolarHBondContact CE-OD2 3.37Å; K56-D58 HydrophobicContact CG-CB 3.89Å; K56-D58 IonicContact NZ-OD2 2.73Å; K56-D58 PolarHBondContact NZ-OD2 3.41Å; K56-D58 PolarHBondContact O-N 3.16Å; K56-R78 WeakPolarHBondContact CA-O 3.01Å; K56-R78 HydrophobicContact CG-CB 4.08Å
57	L	98	Very high	98	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	90.3	172.5	-172.1	70.3	0	0	0	108.6	I34 F60 L69 V71 I76 R78 I79 G80 L83 L93 L95	I34-L57 HydrophobicContact CD1-CD1 4.24Å; L57-F60 HydrophobicContact CD1-CE2 3.96Å; L57-F60 HydrophobicContact CD1-CZ 3.93Å; L57-F60 HydrophobicContact CG-CE2 4.24Å; L57-L69 HydrophobicContact CD1-CD2 3.75Å; L57-V71 HydrophobicContact CD1-CG2 4.17Å; L57-I76 HydrophobicContact CB-CD1 4.21Å; L57-I76 HydrophobicContact CB-CG2 4.19Å; L57-R78 PolarHBondContact N-O 2.97Å; L57-I79 HydrophobicContact CD2-CG2 4.39Å; L57-G80 PolarHBondContact O-N 3.3Å; L57-L83 HydrophobicContact CD2-CD1 4.08Å; L57-L83 HydrophobicContact CG-CD1 4.3Å; L57-L93 HydrophobicContact CD2-CD1 4.02Å; L57-L93 HydrophobicContact CD2-CD2 3.91Å; L57-L95 HydrophobicContact CD2-CD2 4.35Å
58	D	96.4	Very high	98	Very high	54 Å²	54	47.8 Å²	47.8	29%	0.289	23%	0.226	S	C	.	.			trans	-165.8	-175.5	-175	-166.1	5.5	0	0	0	109.1	I34 K56	I34-D58 WeakPolarHBondContact CB-O 3.42Å; K56-D58 HydrophobicContact CD-CB 3.8Å; K56-D58 WeakPolarHBondContact CE-OD2 3.37Å; K56-D58 HydrophobicContact CG-CB 3.89Å; K56-D58 IonicContact NZ-OD2 2.73Å; K56-D58 PolarHBondContact NZ-OD2 3.41Å; K56-D58 PolarHBondContact O-N 3.16Å
59	G	96.4	Very high	98	Very high	39 Å²	39	47.6 Å²	47.6	40%	0.402	23%	0.225	S	C	.	.			trans	83.3	15.3	172.5	0	0	0	0	0	114.4
60	F	98.1	Very high	98	Very high	20 Å²	20	49.3 Å²	49.3	9%	0.088	23%	0.234	C	C	.	.			trans	-82.1	136	177.4	-61.2	-88.2	0	0	0	110.9	I34 L37 F49 L57 L63 L69 L83 A86 L87	I34-F60 HydrophobicContact CD1-CE1 4.14Å; I34-F60 HydrophobicContact CD1-CE2 3.93Å; I34-F60 HydrophobicContact CD1-CZ 3.41Å; I34-F60 VanDerWaalsContact CD1-CZ 3.41Å; I34-F60 HydrophobicContact CG2-CD1 4.23Å; I34-F60 HydrophobicContact CG2-CE1 3.98Å; I34-F60 HydrophobicContact CG2-CE2 4.45Å; I34-F60 HydrophobicContact CG2-CZ 4.1Å; L37-F60 HydrophobicContact CD1-CD1 3.44Å; L37-F60 VanDerWaalsContact CD1-CD1 3.44Å; L37-F60 HydrophobicContact CD1-CE1 3.67Å; L37-F60 HydrophobicContact CD1-CG 4.45Å; F49-F60 HydrophobicContact CE2-CE1 4.43Å; L57-F60 HydrophobicContact CD1-CE2 3.96Å; L57-F60 HydrophobicContact CD1-CZ 3.93Å; L57-F60 HydrophobicContact CG-CE2 4.24Å; F60-L63 HydrophobicContact CD1-CD1 4.47Å; F60-L69 HydrophobicContact CE1-CD1 4.24Å; F60-L69 HydrophobicContact CE1-CD2 4.07Å; F60-L69 HydrophobicContact CE2-CD2 4.48Å; F60-L69 HydrophobicContact CZ-CD1 4.48Å; F60-L69 HydrophobicContact CZ-CD2 3.62Å; F60-L83 HydrophobicContact CD2-CD2 3.93Å; F60-L83 HydrophobicContact CE2-CD2 4.26Å; F60-A86 HydrophobicContact CB-CB 3.83Å; F60-A86 WeakPolarHBondContact O-CB 3.44Å; F60-L87 HydrophobicContact CB-CD2 3.95Å; F60-L87 HydrophobicContact CB-CG 4.23Å; F60-L87 HydrophobicContact CD1-CD1 4.14Å; F60-L87 HydrophobicContact CD1-CD2 4.02Å; F60-L87 HydrophobicContact CD2-CD1 4.05Å; F60-L87 HydrophobicContact CE1-CD1 4.36Å; F60-L87 HydrophobicContact CE2-CD1 4.29Å; F60-L87 HydrophobicContact CG-CD1 3.98Å; F60-L87 HydrophobicContact CG-CD2 4.05Å; F60-L87 HydrophobicContact CG-CG 4.21Å; F60-L87 HydrophobicContact CZ-CD1 4.43Å
61	P	97.6	Very high	98	Very high	46 Å²	46	49 Å²	49	30%	0.299	23%	0.232	S	C	.	.			trans	-71.9	177.5	161.1	36.7	-38.2	0	0	0	109.5	L37 L63	L37-P61 VanDerWaalsContact CB-CD 3.5Å; L37-P61 HydrophobicContact CB-CG 3.94Å; P61-L63 HydrophobicContact CG-CD1 4.44Å; P61-L63 HydrophobicContact CG-CD2 3.94Å; P61-L63 HydrophobicContact CG-CG 4.02Å; P61-L63 PolarHBondContact O-N 3.48Å; P61-L63 VanDerWaalsContact O-N 3.1Å
62	L	98.2	Very high	98	Very high	83 Å²	83	46.6 Å²	46.6	44%	0.435	22%	0.219	S	C	.	.			trans	-64.6	111.5	170.1	178.3	63.2	0	0	0	110.6	R64 Q85 A86 P88	L62-R64 HydrophobicContact CD1-CG 4.11Å; L62-R64 HydrophobicContact CD2-CG 4.49Å; L62-R64 HydrophobicContact CG-CG 4.1Å; L62-Q85 VanDerWaalsContact CD1-O 3.28Å; L62-Q85 WeakPolarHBondContact CD1-O 3.39Å; L62-A86 CarbonylContact C-O 3.59Å; L62-A86 WeakPolarHBondContact CA-O 3.36Å; L62-P88 HydrophobicContact CD1-CG 4.19Å
63	L	98.4	Very high	98	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.021	23%	0.232	C	C	.	.			trans	-120.5	98.3	175.5	-59	175.9	0	0	0	108.6	D42 I47 F60 P61 L66 A86 L87	D42-L63 HydrophobicContact CB-CD2 4.2Å; D42-L63 WeakPolarHBondContact OD1-CA 3.39Å; I47-L63 HydrophobicContact CD1-CD1 4.37Å; F60-L63 HydrophobicContact CD1-CD1 4.47Å; P61-L63 HydrophobicContact CG-CD1 4.44Å; P61-L63 HydrophobicContact CG-CD2 3.94Å; P61-L63 HydrophobicContact CG-CG 4.02Å; P61-L63 PolarHBondContact O-N 3.48Å; P61-L63 VanDerWaalsContact O-N 3.1Å; L63-L66 HydrophobicContact CB-CB 3.95Å; L63-L66 HydrophobicContact CD1-CD2 4.01Å; L63-A86 PolarHBondContact N-O 3.38Å; L63-L87 HydrophobicContact CB-CD2 3.95Å; L63-L87 HydrophobicContact CD1-CD2 4.11Å; L63-L87 HydrophobicContact CG-CD2 4.36Å
64	R	98.2	Very high	98.1	Very high	158 Å²	158	47.3 Å²	47.3	60%	0.596	23%	0.225	S	C	*	.	S	Bend	trans	-79.5	-23.2	-176.8	-57.3	179.9	178.6	-82	4.9	112.1	D42 L62 C89	D42-R64 PolarHBondContact OD1-N 2.81Å; D42-R64 WeakPolarHBondContact OD2-CB 3.26Å; D42-R64 PolarHBondContact OD2-N 2.85Å; L62-R64 HydrophobicContact CD1-CG 4.11Å; L62-R64 HydrophobicContact CD2-CG 4.49Å; L62-R64 HydrophobicContact CG-CG 4.1Å; R64-C89 WeakPolarHBondContact O-CB 3.28Å; R64-C89 PolarHBondContact O-SG 3.07Å
65	R	98.4	Very high	98	Very high	115 Å²	115	51.8 Å²	51.8	43%	0.434	24%	0.241	S	C	.	.	S	Bend	trans	-85.5	-29.5	-178.9	-169.6	-179.8	176.2	96.6	6.5	112.8	D42 Q43 F44 D45 K67	D42-R65 VanDerWaalsContact O-CB 3.32Å; D42-R65 WeakPolarHBondContact O-CB 3.49Å; D42-R65 WeakPolarHBondContact O-CD 3.32Å; D42-R65 WeakPolarHBondContact OD1-CB 3.33Å; D42-R65 PolarHBondContact OD1-N 2.64Å; D42-R65 PolarHBondContact OD2-N 3.47Å; Q43-R65 VanDerWaalsContact C-CD 3.48Å; Q43-R65 WeakPolarHBondContact O-CD 3.43Å; Q43-R65 PolarHBondContact O-NE 2.83Å; F44-R65 CarbonylContact O-C 3.54Å; D45-R65 IonicContact OD1-CZ 3.55Å; D45-R65 IonicContact OD1-NE 3.26Å; D45-R65 PolarHBondContact OD1-NE 3.49Å; D45-R65 IonicContact OD1-NH2 3.38Å; D45-R65 PolarHBondContact OD1-NH2 2.91Å; D45-R65 IonicContact OD2-CZ 3.08Å; D45-R65 IonicContact OD2-NE 2.75Å; D45-R65 PolarHBondContact OD2-NE 2.83Å; D45-R65 VanDerWaalsContact OD2-NE 3.08Å; D45-R65 IonicContact OD2-NH2 2.81Å; D45-R65 PolarHBondContact OD2-NH2 2.95Å; R65-K67 PolarHBondContact O-N 3.1Å
66	L	98.6	Very high	98.1	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	22%	0.216	C	C	.	.			trans	-63.1	121.8	-172.9	-168.7	70.4	0	0	0	111.9	F44 I47 L63 L69 L87 C89	F44-L66 PolarHBondContact O-N 3.38Å; I47-L66 HydrophobicContact CB-CD1 4.22Å; I47-L66 HydrophobicContact CD1-CD1 3.78Å; I47-L66 HydrophobicContact CD1-CD2 4.1Å; I47-L66 HydrophobicContact CG1-CD1 3.61Å; L63-L66 HydrophobicContact CB-CB 3.95Å; L63-L66 HydrophobicContact CD1-CD2 4.01Å; L66-L69 HydrophobicContact CD2-CD1 4.39Å; L66-L87 HydrophobicContact CD2-CD2 3.83Å; L66-C89 CarbonylContact O-C 3.56Å
67	K	98.7	Very high	98	Very high	79 Å²	79	41.8 Å²	41.8	34%	0.343	21%	0.205	S	C	.	.			trans	-113.3	-35.2	-179.3	-68.3	165.7	-166.5	145.8	0	112.6	D45 R65 L90 T91 E92	D45-K67 PolarHBondContact O-N 3.45Å; D45-K67 IonicContact OD1-NZ 3.18Å; D45-K67 PolarHBondContact OD1-NZ 2.95Å; R65-K67 PolarHBondContact O-N 3.1Å; K67-L90 WeakPolarHBondContact O-CD1 3.38Å; K67-T91 PolarHBondContact O-N 3.42Å; K67-T91 PolarHBondContact O-OG1 3.35Å; K67-T91 VanDerWaalsContact O-OG1 3.11Å; K67-E92 PolarHBondContact O-N 3.31Å
68	T	98.8	Very high	97.9	Very high	15 Å²	15	44.7 Å²	44.7	9%	0.092	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.3	-173	-60.8	0	0	0	0	111	D45 A46 I47 L70 E92	D45-T68 PolarHBondContact O-N 3.35Å; A46-T68 VanDerWaalsContact CA-O 3.29Å; A46-T68 WeakPolarHBondContact CA-O 3.43Å; A46-T68 HydrophobicContact CB-CG2 4.43Å; I47-T68 PolarHBondContact N-O 2.85Å; I47-T68 VanDerWaalsContact N-O 3.11Å; T68-L70 HydrophobicContact CG2-CD2 3.87Å; T68-L70 HydrophobicContact CG2-CG 4.18Å; T68-E92 WeakPolarHBondContact CA-O 3.19Å; T68-E92 HydrophobicContact CG2-CB 4.11Å; T68-E92 HydrophobicContact CG2-CG 4.07Å
69	L	98.7	Very high	98	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	113.3	175.5	-168.3	68.5	0	0	0	110	I47 F49 L57 F60 L66 V71 L90 E92 L93 I94	I47-L69 HydrophobicContact CB-CD1 4.12Å; F49-L69 HydrophobicContact CD2-CD1 3.77Å; F49-L69 HydrophobicContact CE2-CD1 4.04Å; L57-L69 HydrophobicContact CD1-CD2 3.75Å; F60-L69 HydrophobicContact CE1-CD1 4.24Å; F60-L69 HydrophobicContact CE1-CD2 4.07Å; F60-L69 HydrophobicContact CE2-CD2 4.48Å; F60-L69 HydrophobicContact CZ-CD1 4.48Å; F60-L69 HydrophobicContact CZ-CD2 3.62Å; L66-L69 HydrophobicContact CD2-CD1 4.39Å; L69-V71 HydrophobicContact CD1-CG2 4.5Å; L69-V71 HydrophobicContact CD2-CG2 3.87Å; L69-V71 HydrophobicContact CG-CG2 3.63Å; L69-L90 HydrophobicContact CB-CD1 3.88Å; L69-E92 PolarHBondContact N-O 3.04Å; L69-L93 HydrophobicContact CB-CD1 4.06Å; L69-L93 HydrophobicContact CD2-CD1 3.97Å; L69-L93 HydrophobicContact CG-CD1 4.31Å; L69-I94 PolarHBondContact O-N 2.6Å
70	L	98.7	Very high	97.9	Very high	36 Å²	36	41 Å²	41	19%	0.188	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	117.4	177	-51.4	178.3	0	0	0	108.3	I47 D48 F49 T68 I94	I47-L70 PolarHBondContact O-N 2.99Å; I47-L70 VanDerWaalsContact O-N 3.09Å; D48-L70 HydrophobicContact CB-CB 4.31Å; D48-L70 HydrophobicContact CB-CD1 4.19Å; F49-L70 WeakPolarHBondContact CA-O 3.5Å; F49-L70 WeakPolarHBondContact CB-O 3.4Å; F49-L70 PolarHBondContact N-O 2.88Å; T68-L70 HydrophobicContact CG2-CD2 3.87Å; T68-L70 HydrophobicContact CG2-CG 4.18Å; L70-I94 HydrophobicContact CD2-CB 3.98Å; L70-I94 HydrophobicContact CD2-CG1 3.61Å
71	V	98.6	Very high	97.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.208	C	C	.	.			trans	-130.4	38.7	-176.3	-158.5	0	0	0	0	109.5	F49 L57 L69 N74 I76 L93 I94 L95 N98	F49-V71 HydrophobicContact CB-CG1 4.42Å; L57-V71 HydrophobicContact CD1-CG2 4.17Å; L69-V71 HydrophobicContact CD1-CG2 4.5Å; L69-V71 HydrophobicContact CD2-CG2 3.87Å; L69-V71 HydrophobicContact CG-CG2 3.63Å; V71-N74 HydrophobicContact CG1-CB 4.1Å; V71-I76 HydrophobicContact CG1-CD1 4.22Å; V71-I76 HydrophobicContact CG1-CG1 3.96Å; V71-L93 HydrophobicContact CG2-CD1 4.33Å; V71-I94 CarbonylContact C-O 3.46Å; V71-I94 WeakPolarHBondContact CA-O 3.47Å; V71-I94 PolarHBondContact N-O 3.05Å; V71-L95 HydrophobicContact CB-CD2 4.17Å; V71-N98 PolarHBondContact O-ND2 3.44Å
72	N	98.3	Very high	97.6	Very high	35 Å²	35	44.3 Å²	44.3	19%	0.187	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	152.7	-178.2	-55.9	-81.8	0	0	0	110.8	S50 D51 N74 I94 T96	S50-N72 CarbonylContact C-O 3.03Å; S50-N72 VanDerWaalsContact CA-O 3.26Å; S50-N72 WeakPolarHBondContact CA-O 3.43Å; S50-N72 WeakPolarHBondContact OG-CB 3.46Å; S50-N72 PolarHBondContact OG-ND2 3.34Å; D51-N72 PolarHBondContact N-O 3.33Å; N72-N74 VanDerWaalsContact C-N 3.27Å; N72-N74 PolarHBondContact O-N 3.21Å; N72-N74 PolarHBondContact O-ND2 3.21Å; N72-I94 WeakPolarHBondContact OD1-CG2 3.25Å; N72-T96 WeakPolarHBondContact CA-O 3.37Å; N72-T96 WeakPolarHBondContact OD1-CB 3.4Å
73	N	98.5	Very high	97.5	Very high	60 Å²	60	40.5 Å²	40.5	32%	0.321	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	43	169.7	-53.5	-31.6	0	0	0	113.4	D51 T96 N97	D51-N73 WeakPolarHBondContact OD1-CB 3.47Å; D51-N73 PolarHBondContact OD1-ND2 3.32Å; N73-T96 PolarHBondContact N-O 2.92Å; N73-N97 VanDerWaalsContact CA-O 3.31Å; N73-N97 WeakPolarHBondContact CA-O 3.22Å; N73-N97 PolarHBondContact N-O 3.48Å; N73-N97 WeakPolarHBondContact OD1-CB 3.3Å; N73-N97 PolarHBondContact OD1-ND2 3.08Å
74	N	98.5	Very high	97.5	Very high	9 Å²	9	43 Å²	43	5%	0.048	20%	0.198	C	C	.	.	S	Bend	trans	-110.9	-167.6	176.4	-89.9	-88.8	0	0	0	110.2	F49 N52 E53 I54 V71 N72 I76 N97 N98	F49-N74 PolarHBondContact O-ND2 3.2Å; N52-N74 WeakPolarHBondContact CA-OD1 3.32Å; N52-N74 WeakPolarHBondContact CB-OD1 2.92Å; N52-N74 PolarHBondContact O-OD1 2.97Å; E53-N74 PolarHBondContact N-OD1 3.24Å; I54-N74 VanDerWaalsContact CB-OD1 3.3Å; I54-N74 WeakPolarHBondContact CB-OD1 3.02Å; I54-N74 VanDerWaalsContact CG1-OD1 3.32Å; I54-N74 WeakPolarHBondContact CG1-OD1 3.45Å; I54-N74 PolarHBondContact N-OD1 3.45Å; V71-N74 HydrophobicContact CG1-CB 4.1Å; N72-N74 VanDerWaalsContact C-N 3.27Å; N72-N74 PolarHBondContact O-N 3.21Å; N72-N74 PolarHBondContact O-ND2 3.21Å; N74-I76 HydrophobicContact CB-CG1 4.16Å; N74-N97 PolarHBondContact N-O 3.46Å; N74-N98 VanDerWaalsContact CA-OD1 3.32Å; N74-N98 WeakPolarHBondContact CA-OD1 3.07Å; N74-N98 WeakPolarHBondContact CB-OD1 3.35Å; N74-N98 PolarHBondContact O-OD1 2.87Å
75	R	97.4	Very high	97.4	Very high	94 Å²	94	42.7 Å²	42.7	36%	0.355	20%	0.204	S	C	.	.			trans	-118.1	28.4	178.7	-60.2	-178.3	-175.7	149.7	4.5	111.6	E53 I54 R55 C77 N98	E53-R75 IonicContact OE1-NH2 2.83Å; E53-R75 IonicContact OE2-CZ 3.7Å; E53-R75 IonicContact OE2-NH1 3.81Å; E53-R75 PolarHBondContact OE2-NH1 2.96Å; E53-R75 IonicContact OE2-NH2 2.68Å; E53-R75 PolarHBondContact OE2-NH2 2.82Å; I54-R75 CarbonylContact O-C 3.21Å; I54-R75 VanDerWaalsContact O-CA 3.27Å; I54-R75 WeakPolarHBondContact O-CA 3.39Å; I54-R75 PolarHBondContact O-N 3.07Å; R55-R75 WeakPolarHBondContact CA-O 3.34Å; R55-R75 HydrophobicContact CG-CB 4.1Å; R75-C77 PolarHBondContact O-N 3.18Å; R75-N98 PolarHBondContact N-OD1 3.03Å
76	I	98.1	Very high	97.4	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.			trans	-60.2	114.1	-174.9	-59.2	-67.7	0	0	0	108.4	I54 R55 L57 V71 N74 L95 N98 S99 L100	I54-I76 HydrophobicContact CB-CD1 3.9Å; I54-I76 HydrophobicContact CG2-CD1 3.47Å; I54-I76 VanDerWaalsContact CG2-CD1 3.47Å; I54-I76 PolarHBondContact O-N 3.2Å; R55-I76 WeakPolarHBondContact O-CA 3.49Å; L57-I76 HydrophobicContact CB-CD1 4.21Å; L57-I76 HydrophobicContact CB-CG2 4.19Å; V71-I76 HydrophobicContact CG1-CD1 4.22Å; V71-I76 HydrophobicContact CG1-CG1 3.96Å; N74-I76 HydrophobicContact CB-CG1 4.16Å; I76-L95 HydrophobicContact CB-CD2 4.39Å; I76-L95 HydrophobicContact CG1-CD2 4.21Å; I76-L95 HydrophobicContact CG2-CD2 4.24Å; I76-N98 HydrophobicContact CB-CB 4.08Å; I76-N98 VanDerWaalsContact CB-OD1 3.26Å; I76-N98 WeakPolarHBondContact CB-OD1 3.36Å; I76-N98 WeakPolarHBondContact CG1-OD1 3.44Å; I76-N98 PolarHBondContact N-OD1 3.09Å; I76-S99 CarbonylContact O-C 3.26Å; I76-S99 VanDerWaalsContact O-CA 3.25Å; I76-S99 WeakPolarHBondContact O-CA 3.49Å; I76-S99 PolarHBondContact O-N 3.49Å; I76-L100 HydrophobicContact CG2-CD2 4.3Å; I76-L100 HydrophobicContact CG2-CG 4.45Å; I76-L100 PolarHBondContact O-N 2.82Å; I76-L100 VanDerWaalsContact O-N 3.08Å
77	C	95.9	Very high	97.4	Very high	27 Å²	27	38 Å²	38	18%	0.182	19%	0.189	C	C	.	.			trans	-117.2	-2.6	176.5	64.2	0	0	0	0	112.4	R55 R75 S99	R55-C77 PolarHBondContact O-N 3.13Å; R55-C77 PolarHBondContact O-SG 3.31Å; R75-C77 PolarHBondContact O-N 3.18Å; C77-S99 WeakPolarHBondContact CA-O 3.33Å; C77-S99 WeakPolarHBondContact CB-O 3.43Å
78	R	95.8	Very high	97.4	Very high	62 Å²	62	36.4 Å²	36.4	23%	0.234	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	141.8	179.6	-72.9	179.9	170.9	-178.8	-13.5	110.8	K56 L57 T180 F181 N182	K56-R78 WeakPolarHBondContact CA-O 3.01Å; K56-R78 HydrophobicContact CG-CB 4.08Å; L57-R78 PolarHBondContact N-O 2.97Å; R78-T180 VanDerWaalsContact NE-CB 3.32Å; R78-T180 PolarHBondContact NE-OG1 2.75Å; R78-T180 VanDerWaalsContact NH2-CA 3.28Å; R78-T180 PolarHBondContact NH2-O 3.42Å; R78-T180 PolarHBondContact NH2-OG1 2.95Å; R78-F181 PolarHBondContact NH1-O 2.92Å; R78-N182 PolarHBondContact NH1-OD1 2.94Å; R78-N182 PolarHBondContact NH2-OD1 2.95Å
79	I	97.6	Very high	97.3	Very high	13 Å²	13	38.2 Å²	38.2	7%	0.067	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	131.2	170.3	-56.1	-179.2	0	0	0	107.3	L57 L83 L95 L100 L106 P108 L109	L57-I79 HydrophobicContact CD2-CG2 4.39Å; I79-L83 HydrophobicContact CG2-CD1 3.46Å; I79-L83 VanDerWaalsContact CG2-CD1 3.46Å; I79-L95 HydrophobicContact CD1-CD1 4.26Å; I79-L100 HydrophobicContact CD1-CD1 4.28Å; I79-L100 HydrophobicContact CD1-CD2 4.37Å; I79-L100 HydrophobicContact CG1-CD2 4.1Å; I79-L106 HydrophobicContact CD1-CD2 4.35Å; I79-P108 HydrophobicContact CB-CB 4.34Å; I79-P108 HydrophobicContact CB-CG 4.29Å; I79-P108 HydrophobicContact CG2-CB 3.92Å; I79-P108 HydrophobicContact CG2-CG 4.41Å; I79-L109 HydrophobicContact CD1-CD1 3.85Å; I79-L109 HydrophobicContact CD1-CD2 3.85Å; I79-L109 HydrophobicContact CD1-CG 3.73Å; I79-L109 HydrophobicContact CG2-CD2 4.14Å
80	G	95.5	Very high	97.3	Very high	2 Å²	2	38.3 Å²	38.3	2%	0.021	20%	0.201	C	C	.	.			trans	-65.4	150.9	177.3	0	0	0	0	0	111.9	L57 P108	L57-G80 PolarHBondContact O-N 3.3Å; G80-P108 VanDerWaalsContact O-CB 3.29Å; G80-P108 WeakPolarHBondContact O-CB 3.25Å
81	E	94.9	Very high	97.3	Very high	113 Å²	113	38.8 Å²	38.8	53%	0.528	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	149.7	168.6	-59.8	-69.1	176.6	0	0	109.1	L83 R177	E81-L83 PolarHBondContact O-N 3.3Å; E81-R177 IonicContact OE1-CZ 2.64Å; E81-R177 VanDerWaalsContact OE1-CZ 3.23Å; E81-R177 IonicContact OE1-NH1 2.85Å; E81-R177 PolarHBondContact OE1-NH1 2.79Å; E81-R177 IonicContact OE1-NH2 3.38Å; E81-R177 PolarHBondContact OE1-NH2 3.37Å
82	G	93.8	Very high	97.3	Very high	24 Å²	24	41.6 Å²	41.6	25%	0.247	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	18.4	174.8	0	0	0	0	0	115.4	D84 Q85	G82-D84 VanDerWaalsContact C-OD1 3.32Å; G82-D84 WeakPolarHBondContact CA-OD1 3.37Å; G82-D84 PolarHBondContact O-N 3.17Å; G82-D84 VanDerWaalsContact O-N 3.12Å; G82-Q85 WeakPolarHBondContact O-CB 3.31Å; G82-Q85 PolarHBondContact O-N 3.06Å
83	L	96.9	Very high	97.4	Very high	3 Å²	3	40 Å²	40	2%	0.016	21%	0.209	C	C	.	.	H	α-helix	trans	-56.9	-26	175.7	-73.5	178.3	0	0	0	113.2	L57 F60 I79 E81 Q85 A86 L87 L112	L57-L83 HydrophobicContact CD2-CD1 4.08Å; L57-L83 HydrophobicContact CG-CD1 4.3Å; F60-L83 HydrophobicContact CD2-CD2 3.93Å; F60-L83 HydrophobicContact CE2-CD2 4.26Å; I79-L83 HydrophobicContact CG2-CD1 3.46Å; I79-L83 VanDerWaalsContact CG2-CD1 3.46Å; E81-L83 PolarHBondContact O-N 3.3Å; L83-Q85 VanDerWaalsContact C-N 3.28Å; L83-Q85 PolarHBondContact O-N 2.87Å; L83-A86 PolarHBondContact O-N 3.41Å; L83-L87 WeakPolarHBondContact O-CA 3.46Å; L83-L87 WeakPolarHBondContact O-CB 3.36Å; L83-L87 PolarHBondContact O-N 2.7Å; L83-L112 HydrophobicContact CB-CD2 3.92Å; L83-L112 HydrophobicContact CB-CG 4.35Å
84	D	97	Very high	97.4	Very high	55 Å²	55	37.6 Å²	37.6	29%	0.294	20%	0.196	S	C	.	.	H	α-helix	trans	-65.3	-27.1	174.5	57.5	-57.8	0	0	0	113.8	G82 P88 S111 L112	G82-D84 VanDerWaalsContact C-OD1 3.32Å; G82-D84 WeakPolarHBondContact CA-OD1 3.37Å; G82-D84 PolarHBondContact O-N 3.17Å; G82-D84 VanDerWaalsContact O-N 3.12Å; D84-P88 WeakPolarHBondContact O-CA 3.28Å; D84-S111 WeakPolarHBondContact CB-O 3.42Å; D84-S111 VanDerWaalsContact CG-OG 3.28Å; D84-S111 WeakPolarHBondContact OD1-CB 3.26Å; D84-S111 PolarHBondContact OD1-OG 3.44Å; D84-L112 HydrophobicContact CB-CD2 4.37Å
85	Q	97.5	Very high	97.4	Very high	153 Å²	153	37.1 Å²	37.1	72%	0.715	19%	0.194	S	C	*	.	H	α-helix	trans	-73.6	-34.6	175.5	-58.3	179	14	0	0	111.3	L62 G82 L83	L62-Q85 VanDerWaalsContact CD1-O 3.28Å; L62-Q85 WeakPolarHBondContact CD1-O 3.39Å; G82-Q85 WeakPolarHBondContact O-CB 3.31Å; G82-Q85 PolarHBondContact O-N 3.06Å; L83-Q85 VanDerWaalsContact C-N 3.28Å; L83-Q85 PolarHBondContact O-N 2.87Å
86	A	98	Very high	97.4	Very high	15 Å²	15	33.6 Å²	33.6	12%	0.124	18%	0.183	C	C	.	.	H	α-helix	trans	-85.6	-39.7	178.5	0	0	0	0	0	112.2	F60 L62 L63 L83 P88	F60-A86 HydrophobicContact CB-CB 3.83Å; F60-A86 WeakPolarHBondContact O-CB 3.44Å; L62-A86 CarbonylContact C-O 3.59Å; L62-A86 WeakPolarHBondContact CA-O 3.36Å; L63-A86 PolarHBondContact N-O 3.38Å; L83-A86 PolarHBondContact O-N 3.41Å; A86-P88 VanDerWaalsContact C-CD 3.4Å; A86-P88 VanDerWaalsContact O-CD 3.3Å; A86-P88 WeakPolarHBondContact O-CD 3.48Å
87	L	98.3	Very high	97.4	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	20%	0.201	C	C	.	.			trans	-124.6	61.1	-170.6	-52.2	-178.7	0	0	0	111.5	F60 L63 L66 L83 C89 L90	F60-L87 HydrophobicContact CB-CD2 3.95Å; F60-L87 HydrophobicContact CB-CG 4.23Å; F60-L87 HydrophobicContact CD1-CD1 4.14Å; F60-L87 HydrophobicContact CD1-CD2 4.02Å; F60-L87 HydrophobicContact CD2-CD1 4.05Å; F60-L87 HydrophobicContact CE1-CD1 4.36Å; F60-L87 HydrophobicContact CE2-CD1 4.29Å; F60-L87 HydrophobicContact CG-CD1 3.98Å; F60-L87 HydrophobicContact CG-CD2 4.05Å; F60-L87 HydrophobicContact CG-CG 4.21Å; F60-L87 HydrophobicContact CZ-CD1 4.43Å; L63-L87 HydrophobicContact CB-CD2 3.95Å; L63-L87 HydrophobicContact CD1-CD2 4.11Å; L63-L87 HydrophobicContact CG-CD2 4.36Å; L66-L87 HydrophobicContact CD2-CD2 3.83Å; L83-L87 WeakPolarHBondContact O-CA 3.46Å; L83-L87 WeakPolarHBondContact O-CB 3.36Å; L83-L87 PolarHBondContact O-N 2.7Å; L87-C89 PolarHBondContact O-N 2.98Å; L87-C89 VanDerWaalsContact O-N 3.14Å; L87-L90 HydrophobicContact CB-CB 4.07Å; L87-L90 HydrophobicContact CD1-CD2 4.14Å; L87-L90 PolarHBondContact O-N 3.39Å
88	P	98	Very high	97.5	Very high	47 Å²	47	35.9 Å²	35.9	31%	0.305	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.5	-171.8	25.8	-36.1	0	0	0	114.1	L62 D84 A86 S114	L62-P88 HydrophobicContact CD1-CG 4.19Å; D84-P88 WeakPolarHBondContact O-CA 3.28Å; A86-P88 VanDerWaalsContact C-CD 3.4Å; A86-P88 VanDerWaalsContact O-CD 3.3Å; A86-P88 WeakPolarHBondContact O-CD 3.48Å; P88-S114 PolarHBondContact O-OG 3.41Å
89	C	98.3	Very high	97.6	Very high	53 Å²	53	35 Å²	35	36%	0.358	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	8.8	-175.6	-62.7	0	0	0	0	113.7	R64 L66 L87 T91	R64-C89 WeakPolarHBondContact O-CB 3.28Å; R64-C89 PolarHBondContact O-SG 3.07Å; L66-C89 CarbonylContact O-C 3.56Å; L87-C89 PolarHBondContact O-N 2.98Å; L87-C89 VanDerWaalsContact O-N 3.14Å; C89-T91 PolarHBondContact O-N 2.86Å; C89-T91 VanDerWaalsContact O-N 3.17Å
90	L	98.7	Very high	97.6	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	19%	0.193	C	C	.	.			trans	-64.9	117.2	-177.5	-168.6	73.2	0	0	0	111.1	K67 L69 L87 L93 L112 S114 L115	K67-L90 WeakPolarHBondContact O-CD1 3.38Å; L69-L90 HydrophobicContact CB-CD1 3.88Å; L87-L90 HydrophobicContact CB-CB 4.07Å; L87-L90 HydrophobicContact CD1-CD2 4.14Å; L87-L90 PolarHBondContact O-N 3.39Å; L90-L93 HydrophobicContact CD2-CB 4.39Å; L90-L112 HydrophobicContact CD2-CD1 4.11Å; L90-L112 HydrophobicContact CD2-CD2 4.44Å; L90-S114 CarbonylContact O-C 3.53Å; L90-S114 WeakPolarHBondContact O-CB 3.45Å; L90-L115 WeakPolarHBondContact O-CA 3.26Å; L90-L115 PolarHBondContact O-N 3.06Å
91	T	98.7	Very high	97.6	Very high	46 Å²	46	35.6 Å²	35.6	28%	0.282	20%	0.2	S	C	.	.			trans	-106.4	-29.2	-178.5	52	0	0	0	0	113.6	K67 C89 T116 Y117	K67-T91 PolarHBondContact O-N 3.42Å; K67-T91 PolarHBondContact O-OG1 3.35Å; K67-T91 VanDerWaalsContact O-OG1 3.11Å; C89-T91 PolarHBondContact O-N 2.86Å; C89-T91 VanDerWaalsContact O-N 3.17Å; T91-T116 PolarHBondContact O-N 3.36Å; T91-Y117 PolarHBondContact O-N 3.15Å
92	E	98.8	Very high	97.6	Very high	59 Å²	59	32 Å²	32	28%	0.276	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	125.1	-176.9	-179	165.9	-154.4	0	0	111.3	K67 T68 L69 I94 Y117	K67-E92 PolarHBondContact O-N 3.31Å; T68-E92 WeakPolarHBondContact CA-O 3.19Å; T68-E92 HydrophobicContact CG2-CB 4.11Å; T68-E92 HydrophobicContact CG2-CG 4.07Å; L69-E92 PolarHBondContact N-O 3.04Å; E92-I94 HydrophobicContact CG-CD1 3.9Å; E92-I94 HydrophobicContact CG-CG1 4.06Å; E92-Y117 WeakPolarHBondContact CA-O 3.21Å
93	L	98.8	Very high	97.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	114.3	177.6	178	59.4	0	0	0	110.1	L57 L69 V71 L90 L95 L109 L115 Y117 L118 S119	L57-L93 HydrophobicContact CD2-CD1 4.02Å; L57-L93 HydrophobicContact CD2-CD2 3.91Å; L69-L93 HydrophobicContact CB-CD1 4.06Å; L69-L93 HydrophobicContact CD2-CD1 3.97Å; L69-L93 HydrophobicContact CG-CD1 4.31Å; V71-L93 HydrophobicContact CG2-CD1 4.33Å; L90-L93 HydrophobicContact CD2-CB 4.39Å; L93-L95 HydrophobicContact CD1-CD1 4.48Å; L93-L95 HydrophobicContact CD1-CD2 4.46Å; L93-L95 HydrophobicContact CD1-CG 4.14Å; L93-L95 HydrophobicContact CD2-CD1 3.81Å; L93-L95 HydrophobicContact CD2-CG 4.35Å; L93-L95 HydrophobicContact CG-CD1 3.96Å; L93-L95 HydrophobicContact CG-CG 3.98Å; L93-L109 HydrophobicContact CD2-CD2 3.63Å; L93-L115 HydrophobicContact CB-CD1 3.75Å; L93-Y117 PolarHBondContact N-O 3.31Å; L93-L118 HydrophobicContact CB-CD1 4.26Å; L93-L118 HydrophobicContact CD2-CD1 4.31Å; L93-L118 HydrophobicContact CG-CD1 4.31Å; L93-L118 WeakPolarHBondContact O-CA 3.33Å; L93-S119 PolarHBondContact O-N 3.23Å; L93-S119 VanDerWaalsContact O-N 3.14Å
94	I	98.7	Very high	97.8	Very high	10 Å²	10	30.8 Å²	30.8	5%	0.051	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	106.6	-179.1	-50.6	-57.7	0	0	0	109.2	L69 L70 V71 N72 E92 T96	L69-I94 PolarHBondContact O-N 2.6Å; L70-I94 HydrophobicContact CD2-CB 3.98Å; L70-I94 HydrophobicContact CD2-CG1 3.61Å; V71-I94 CarbonylContact C-O 3.46Å; V71-I94 WeakPolarHBondContact CA-O 3.47Å; V71-I94 PolarHBondContact N-O 3.05Å; N72-I94 WeakPolarHBondContact OD1-CG2 3.25Å; E92-I94 HydrophobicContact CG-CD1 3.9Å; E92-I94 HydrophobicContact CG-CG1 4.06Å; I94-T96 WeakPolarHBondContact CG2-OG1 3.44Å
95	L	98.6	Very high	97.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.16	C	C	.	.			trans	-107.9	24.2	-179.8	-71.4	163.4	0	0	0	112	L57 V71 I76 I79 L93 N97 N98 L100 S119 N123	L57-L95 HydrophobicContact CD2-CD2 4.35Å; V71-L95 HydrophobicContact CB-CD2 4.17Å; I76-L95 HydrophobicContact CB-CD2 4.39Å; I76-L95 HydrophobicContact CG1-CD2 4.21Å; I76-L95 HydrophobicContact CG2-CD2 4.24Å; I79-L95 HydrophobicContact CD1-CD1 4.26Å; L93-L95 HydrophobicContact CD1-CD1 4.48Å; L93-L95 HydrophobicContact CD1-CD2 4.46Å; L93-L95 HydrophobicContact CD1-CG 4.14Å; L93-L95 HydrophobicContact CD2-CD1 3.81Å; L93-L95 HydrophobicContact CD2-CG 4.35Å; L93-L95 HydrophobicContact CG-CD1 3.96Å; L93-L95 HydrophobicContact CG-CG 3.98Å; L95-N97 PolarHBondContact O-N 2.89Å; L95-N98 VanDerWaalsContact C-ND2 3.28Å; L95-N98 WeakPolarHBondContact O-CB 3.33Å; L95-N98 PolarHBondContact O-ND2 2.85Å; L95-L100 HydrophobicContact CD1-CD1 4.13Å; L95-S119 CarbonylContact C-O 3.48Å; L95-S119 WeakPolarHBondContact CA-O 3.45Å; L95-S119 WeakPolarHBondContact CB-O 3.43Å; L95-S119 PolarHBondContact N-O 2.85Å; L95-N123 PolarHBondContact O-ND2 3.33Å
96	T	98.4	Very high	97.7	Very high	19 Å²	19	21.5 Å²	21.5	12%	0.117	13%	0.127	C	C	.	.			trans	-58.3	135.9	-177.1	-51.1	0	0	0	0	111	N72 N73 I94 N98 S119 L121	N72-T96 WeakPolarHBondContact CA-O 3.37Å; N72-T96 WeakPolarHBondContact OD1-CB 3.4Å; N73-T96 PolarHBondContact N-O 2.92Å; I94-T96 WeakPolarHBondContact CG2-OG1 3.44Å; T96-N98 PolarHBondContact O-ND2 3.49Å; T96-S119 PolarHBondContact OG1-OG 2.86Å; T96-L121 CarbonylContact C-O 3.6Å; T96-L121 VanDerWaalsContact CA-O 3.26Å; T96-L121 WeakPolarHBondContact CA-O 3.26Å; T96-L121 HydrophobicContact CG2-CB 4.08Å
97	N	98.2	Very high	97.7	Very high	70 Å²	70	22.2 Å²	22.2	37%	0.374	13%	0.129	S	C	.	.	S	Bend	trans	58.7	63.7	178.3	-167.6	35.6	0	0	0	112.9	N73 N74 L95 L121 R122	N73-N97 VanDerWaalsContact CA-O 3.31Å; N73-N97 WeakPolarHBondContact CA-O 3.22Å; N73-N97 PolarHBondContact N-O 3.48Å; N73-N97 WeakPolarHBondContact OD1-CB 3.3Å; N73-N97 PolarHBondContact OD1-ND2 3.08Å; N74-N97 PolarHBondContact N-O 3.46Å; L95-N97 PolarHBondContact O-N 2.89Å; N97-L121 PolarHBondContact N-O 3.23Å; N97-R122 WeakPolarHBondContact CA-O 3.39Å; N97-R122 HydrophobicContact CB-CB 4.09Å
98	N	98.3	Very high	97.7	Very high	6 Å²	6	22.4 Å²	22.4	3%	0.032	13%	0.13	C	C	.	.			trans	-125.6	-165.6	176.2	-87.5	-77.8	0	0	0	110.8	V71 N74 R75 I76 L95 T96 N123	V71-N98 PolarHBondContact O-ND2 3.44Å; N74-N98 VanDerWaalsContact CA-OD1 3.32Å; N74-N98 WeakPolarHBondContact CA-OD1 3.07Å; N74-N98 WeakPolarHBondContact CB-OD1 3.35Å; N74-N98 PolarHBondContact O-OD1 2.87Å; R75-N98 PolarHBondContact N-OD1 3.03Å; I76-N98 HydrophobicContact CB-CB 4.08Å; I76-N98 VanDerWaalsContact CB-OD1 3.26Å; I76-N98 WeakPolarHBondContact CB-OD1 3.36Å; I76-N98 WeakPolarHBondContact CG1-OD1 3.44Å; I76-N98 PolarHBondContact N-OD1 3.09Å; L95-N98 VanDerWaalsContact C-ND2 3.28Å; L95-N98 WeakPolarHBondContact O-CB 3.33Å; L95-N98 PolarHBondContact O-ND2 2.85Å; T96-N98 PolarHBondContact O-ND2 3.49Å; N98-N123 VanDerWaalsContact CA-OD1 3.25Å; N98-N123 WeakPolarHBondContact CA-OD1 3.26Å; N98-N123 WeakPolarHBondContact CB-OD1 2.96Å; N98-N123 PolarHBondContact O-OD1 3Å
99	S	97.3	Very high	97.7	Very high	43 Å²	43	20.1 Å²	20.1	30%	0.301	12%	0.115	S	C	.	.			trans	-119.3	30.6	-173	-58.5	0	0	0	0	113.3	I76 C77 V101 N123	I76-S99 CarbonylContact O-C 3.26Å; I76-S99 VanDerWaalsContact O-CA 3.25Å; I76-S99 WeakPolarHBondContact O-CA 3.49Å; I76-S99 PolarHBondContact O-N 3.49Å; C77-S99 WeakPolarHBondContact CA-O 3.33Å; C77-S99 WeakPolarHBondContact CB-O 3.43Å; S99-V101 PolarHBondContact O-N 2.97Å; S99-N123 PolarHBondContact N-OD1 3.36Å
100	L	96.6	Very high	97.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.108	C	C	.	.			trans	-73.2	122	174.3	-68.2	164.1	0	0	0	109.4	I76 I79 L95 D105 L106 I120 N123 P124 V125	I76-L100 HydrophobicContact CG2-CD2 4.3Å; I76-L100 HydrophobicContact CG2-CG 4.45Å; I76-L100 PolarHBondContact O-N 2.82Å; I76-L100 VanDerWaalsContact O-N 3.08Å; I79-L100 HydrophobicContact CD1-CD1 4.28Å; I79-L100 HydrophobicContact CD1-CD2 4.37Å; I79-L100 HydrophobicContact CG1-CD2 4.1Å; L95-L100 HydrophobicContact CD1-CD1 4.13Å; L100-D105 HydrophobicContact CD2-CB 4.12Å; L100-L106 HydrophobicContact CD1-CD2 3.84Å; L100-I120 HydrophobicContact CD1-CG2 4.2Å; L100-N123 HydrophobicContact CB-CB 4.19Å; L100-N123 WeakPolarHBondContact CB-OD1 3.34Å; L100-N123 PolarHBondContact N-OD1 2.97Å; L100-P124 VanDerWaalsContact O-CD 3.29Å; L100-P124 WeakPolarHBondContact O-CD 3.47Å; L100-V125 HydrophobicContact CB-CG1 4.03Å; L100-V125 WeakPolarHBondContact O-CB 3.46Å; L100-V125 PolarHBondContact O-N 3.45Å
101	V	95.8	Very high	97.6	Very high	27 Å²	27	19.9 Å²	19.9	16%	0.164	12%	0.116	C	C	.	.			trans	-106.9	-49.3	-171.6	-178.8	0	0	0	0	111.8	S99 P124 V125 K128	S99-V101 PolarHBondContact O-N 2.97Å; V101-P124 HydrophobicContact CG2-CB 4.32Å; V101-P124 HydrophobicContact CG2-CG 4.36Å; V101-V125 WeakPolarHBondContact O-CA 3.46Å; V101-V125 WeakPolarHBondContact O-CB 3.46Å; V101-K128 WeakPolarHBondContact O-CD 3.38Å; V101-K128 WeakPolarHBondContact O-CE 3.37Å
102	E	96	Very high	97.5	Very high	37 Å²	37	17.9 Å²	17.9	17%	0.173	10%	0.103	C	C	.	.	S	Bend	trans	-103.9	149.8	-170.8	-62.4	-68.5	151.2	0	0	112.9	G104 D105 K128 R176	E102-G104 VanDerWaalsContact C-N 3.29Å; E102-G104 PolarHBondContact O-N 3.11Å; E102-D105 WeakPolarHBondContact CB-OD2 3.32Å; E102-D105 PolarHBondContact N-OD2 3.33Å; E102-D105 VanDerWaalsContact O-CB 3.3Å; E102-D105 WeakPolarHBondContact O-CB 3.41Å; E102-D105 PolarHBondContact O-N 2.96Å; E102-D105 VanDerWaalsContact O-N 3.09Å; E102-K128 IonicContact OE1-NZ 2.93Å; E102-K128 PolarHBondContact OE1-NZ 3.39Å; E102-K128 VanDerWaalsContact OE2-CE 3.26Å; E102-K128 WeakPolarHBondContact OE2-CE 3.27Å; E102-K128 IonicContact OE2-NZ 3.42Å; E102-K128 PolarHBondContact OE2-NZ 3.43Å; E102-R176 WeakPolarHBondContact CB-O 3.41Å
103	L	97.1	Very high	97.5	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.016	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-62.8	-37.5	-177.3	-71.3	173	0	0	0	111.9	D105 L106 V125 K128 Y131 Y134 I174	L103-D105 PolarHBondContact O-N 3.23Å; L103-L106 WeakPolarHBondContact O-CB 3.42Å; L103-L106 PolarHBondContact O-N 2.83Å; L103-L106 VanDerWaalsContact O-N 3.09Å; L103-V125 HydrophobicContact CD2-CG2 3.74Å; L103-V125 HydrophobicContact CG-CG2 4.31Å; L103-K128 HydrophobicContact CD1-CB 4.4Å; L103-K128 HydrophobicContact CD2-CB 4.34Å; L103-K128 HydrophobicContact CG-CB 4.23Å; L103-K128 HydrophobicContact CG-CD 4.07Å; L103-Y131 HydrophobicContact CD2-CD2 4.16Å; L103-Y134 HydrophobicContact CB-CD1 3.89Å; L103-Y134 HydrophobicContact CB-CE1 3.7Å; L103-Y134 HydrophobicContact CB-CG 4.39Å; L103-Y134 HydrophobicContact CD1-CD1 4.45Å; L103-Y134 HydrophobicContact CD1-CD2 4.42Å; L103-Y134 HydrophobicContact CD1-CG 4.19Å; L103-Y134 HydrophobicContact CD2-CD1 3.97Å; L103-Y134 HydrophobicContact CD2-CG 4.31Å; L103-Y134 HydrophobicContact CG-CD1 4.32Å; L103-Y134 WeakPolarHBondContact O-CE1 3.41Å; L103-I174 HydrophobicContact CD1-CB 4.03Å; L103-I174 HydrophobicContact CD1-CD1 3.86Å; L103-I174 HydrophobicContact CD1-CG1 3.89Å
104	G	96.3	Very high	97.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-67.6	-15.5	178	0	0	0	0	0	113.6	E102 L106 D107 R176 R177	E102-G104 VanDerWaalsContact C-N 3.29Å; E102-G104 PolarHBondContact O-N 3.11Å; G104-L106 PolarHBondContact O-N 3.09Å; G104-D107 WeakPolarHBondContact O-CB 3.3Å; G104-D107 PolarHBondContact O-N 2.9Å; G104-R176 VanDerWaalsContact CA-O 3.32Å; G104-R176 WeakPolarHBondContact CA-O 3.4Å; G104-R176 PolarHBondContact N-O 2.78Å; G104-R177 WeakPolarHBondContact O-CG 3.29Å; G104-R177 PolarHBondContact O-NE 3.3Å
105	D	96.1	Very high	97.4	Very high	10 Å²	10	24 Å²	24	5%	0.053	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-69.5	-16.7	174	-58.7	-32.1	0	0	0	111.5	L100 E102 L103 R177 S178	L100-D105 HydrophobicContact CD2-CB 4.12Å; E102-D105 WeakPolarHBondContact CB-OD2 3.32Å; E102-D105 PolarHBondContact N-OD2 3.33Å; E102-D105 VanDerWaalsContact O-CB 3.3Å; E102-D105 WeakPolarHBondContact O-CB 3.41Å; E102-D105 PolarHBondContact O-N 2.96Å; E102-D105 VanDerWaalsContact O-N 3.09Å; L103-D105 PolarHBondContact O-N 3.23Å; D105-R177 WeakPolarHBondContact OD1-CA 3.39Å; D105-S178 PolarHBondContact OD1-N 3.24Å; D105-S178 WeakPolarHBondContact OD2-CB 3.32Å; D105-S178 PolarHBondContact OD2-OG 2.95Å
106	L	97.9	Very high	97.4	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.016	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-90.3	-15.2	177.9	-52.6	179.3	0	0	0	113.2	I79 L100 L103 G104 P108 L109 I120 V125 Y131 V135	I79-L106 HydrophobicContact CD1-CD2 4.35Å; L100-L106 HydrophobicContact CD1-CD2 3.84Å; L103-L106 WeakPolarHBondContact O-CB 3.42Å; L103-L106 PolarHBondContact O-N 2.83Å; L103-L106 VanDerWaalsContact O-N 3.09Å; G104-L106 PolarHBondContact O-N 3.09Å; L106-P108 VanDerWaalsContact C-N 3.33Å; L106-L109 HydrophobicContact CB-CD1 4.47Å; L106-L109 HydrophobicContact CD2-CD1 4.49Å; L106-L109 VanDerWaalsContact O-CB 3.27Å; L106-L109 WeakPolarHBondContact O-CB 3.14Å; L106-L109 WeakPolarHBondContact O-CG 3.18Å; L106-L109 PolarHBondContact O-N 3.39Å; L106-L109 VanDerWaalsContact O-N 3.07Å; L106-I120 HydrophobicContact CD1-CD1 4.02Å; L106-I120 HydrophobicContact CD2-CD1 3.93Å; L106-I120 HydrophobicContact CD2-CG2 4.43Å; L106-V125 HydrophobicContact CD1-CG1 4.34Å; L106-V125 HydrophobicContact CD1-CG2 3.92Å; L106-V125 HydrophobicContact CG-CG2 4.41Å; L106-Y131 HydrophobicContact CD1-CD2 4.33Å; L106-Y131 HydrophobicContact CD1-CE2 4.05Å; L106-V135 HydrophobicContact CD1-CG2 3.64Å
107	D	97.2	Very high	97.5	Very high	30 Å²	30	29.9 Å²	29.9	16%	0.16	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-52.2	-39.4	-177.5	-81.6	-26.7	0	0	0	114.7	G104 L109 A110 Y134 K138	G104-D107 WeakPolarHBondContact O-CB 3.3Å; G104-D107 PolarHBondContact O-N 2.9Å; D107-L109 PolarHBondContact O-N 3.27Å; D107-L109 VanDerWaalsContact O-N 3.12Å; D107-A110 VanDerWaalsContact O-CB 3.24Å; D107-A110 WeakPolarHBondContact O-CB 3.32Å; D107-A110 PolarHBondContact O-N 3.39Å; D107-Y134 PolarHBondContact OD1-OH 2.81Å; D107-K138 WeakPolarHBondContact OD1-CE 3.24Å; D107-K138 IonicContact OD1-NZ 3.78Å; D107-K138 PolarHBondContact OD1-NZ 3.02Å
108	P	97.4	Very high	97.5	Very high	5 Å²	5	26.7 Å²	26.7	3%	0.032	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-59.6	-24.8	-180	-25	35.4	0	0	0	113.7	I79 G80 L106 A110 S111	I79-P108 HydrophobicContact CB-CB 4.34Å; I79-P108 HydrophobicContact CB-CG 4.29Å; I79-P108 HydrophobicContact CG2-CB 3.92Å; I79-P108 HydrophobicContact CG2-CG 4.41Å; G80-P108 VanDerWaalsContact O-CB 3.29Å; G80-P108 WeakPolarHBondContact O-CB 3.25Å; L106-P108 VanDerWaalsContact C-N 3.33Å; P108-A110 PolarHBondContact O-N 3.34Å; P108-A110 VanDerWaalsContact O-N 3.11Å; P108-S111 PolarHBondContact O-N 2.9Å; P108-S111 VanDerWaalsContact O-N 3.13Å; P108-S111 PolarHBondContact O-OG 3.21Å
109	L	98.1	Very high	97.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-61.7	-20.7	177	-62.2	176.3	0	0	0	112.9	I79 L93 L106 D107 S111 L112 L115 L118 V139 Q141	I79-L109 HydrophobicContact CD1-CD1 3.85Å; I79-L109 HydrophobicContact CD1-CD2 3.85Å; I79-L109 HydrophobicContact CD1-CG 3.73Å; I79-L109 HydrophobicContact CG2-CD2 4.14Å; L93-L109 HydrophobicContact CD2-CD2 3.63Å; L106-L109 HydrophobicContact CB-CD1 4.47Å; L106-L109 HydrophobicContact CD2-CD1 4.49Å; L106-L109 VanDerWaalsContact O-CB 3.27Å; L106-L109 WeakPolarHBondContact O-CB 3.14Å; L106-L109 WeakPolarHBondContact O-CG 3.18Å; L106-L109 PolarHBondContact O-N 3.39Å; L106-L109 VanDerWaalsContact O-N 3.07Å; D107-L109 PolarHBondContact O-N 3.27Å; D107-L109 VanDerWaalsContact O-N 3.12Å; L109-S111 PolarHBondContact O-N 3.35Å; L109-L112 HydrophobicContact CD2-CD1 3.87Å; L109-L112 PolarHBondContact O-N 3.38Å; L109-L115 HydrophobicContact CB-CD2 4.46Å; L109-L115 HydrophobicContact CD2-CD2 4.44Å; L109-L118 HydrophobicContact CD1-CD1 4.21Å; L109-L118 HydrophobicContact CD1-CD2 3.95Å; L109-V139 HydrophobicContact CB-CG1 4.34Å; L109-V139 HydrophobicContact CB-CG2 3.97Å; L109-Q141 PolarHBondContact O-NE2 3.22Å
110	A	97.6	Very high	97.6	Very high	25 Å²	25	24.4 Å²	24.4	21%	0.207	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-62.2	-22.1	176.5	0	0	0	0	0	113.3	D107 P108 K113 K138 Q141	D107-A110 VanDerWaalsContact O-CB 3.24Å; D107-A110 WeakPolarHBondContact O-CB 3.32Å; D107-A110 PolarHBondContact O-N 3.39Å; P108-A110 PolarHBondContact O-N 3.34Å; P108-A110 VanDerWaalsContact O-N 3.11Å; A110-K113 PolarHBondContact O-NZ 3.09Å; A110-K138 WeakPolarHBondContact CB-O 3.05Å; A110-Q141 PolarHBondContact O-NE2 3.33Å
111	S	97.3	Very high	97.6	Very high	25 Å²	25	27.4 Å²	27.4	18%	0.175	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-76.3	-29.9	178.5	80.4	0	0	0	0	112.8	D84 P108 L109 K113	D84-S111 WeakPolarHBondContact CB-O 3.42Å; D84-S111 VanDerWaalsContact CG-OG 3.28Å; D84-S111 WeakPolarHBondContact OD1-CB 3.26Å; D84-S111 PolarHBondContact OD1-OG 3.44Å; P108-S111 PolarHBondContact O-N 2.9Å; P108-S111 VanDerWaalsContact O-N 3.13Å; P108-S111 PolarHBondContact O-OG 3.21Å; L109-S111 PolarHBondContact O-N 3.35Å; S111-K113 WeakPolarHBondContact O-CD 3.01Å; S111-K113 WeakPolarHBondContact O-CE 3.37Å; S111-K113 WeakPolarHBondContact O-CG 3.27Å; S111-K113 PolarHBondContact O-N 2.76Å
112	L	98.1	Very high	97.7	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	16%	0.161	C	C	.	.			trans	-70.9	84.3	-178.7	-65.8	169.2	0	0	0	112.2	L83 D84 L90 L109 S114 L115 Q141	L83-L112 HydrophobicContact CB-CD2 3.92Å; L83-L112 HydrophobicContact CB-CG 4.35Å; D84-L112 HydrophobicContact CB-CD2 4.37Å; L90-L112 HydrophobicContact CD2-CD1 4.11Å; L90-L112 HydrophobicContact CD2-CD2 4.44Å; L109-L112 HydrophobicContact CD2-CD1 3.87Å; L109-L112 PolarHBondContact O-N 3.38Å; L112-S114 VanDerWaalsContact C-N 3.26Å; L112-S114 PolarHBondContact O-N 3.03Å; L112-L115 HydrophobicContact CB-CB 3.9Å; L112-L115 HydrophobicContact CB-CD2 4.46Å; L112-L115 HydrophobicContact CD1-CD2 4.23Å; L112-L115 VanDerWaalsContact O-CB 3.3Å; L112-L115 WeakPolarHBondContact O-CB 3.33Å; L112-L115 PolarHBondContact O-N 2.79Å; L112-L115 VanDerWaalsContact O-N 3.14Å; L112-Q141 WeakPolarHBondContact O-CG 3.31Å; L112-Q141 PolarHBondContact O-NE2 3.33Å
113	K	97.4	Very high	97.7	Very high	151 Å²	151	31.6 Å²	31.6	66%	0.657	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-27.2	-171.2	-55.3	-51	175.5	-168	0	114.8	A110 S111	A110-K113 PolarHBondContact O-NZ 3.09Å; S111-K113 WeakPolarHBondContact O-CD 3.01Å; S111-K113 WeakPolarHBondContact O-CE 3.37Å; S111-K113 WeakPolarHBondContact O-CG 3.27Å; S111-K113 PolarHBondContact O-N 2.76Å
114	S	98.1	Very high	97.7	Very high	46 Å²	46	31.9 Å²	31.9	32%	0.322	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-11.1	-179.7	-56	0	0	0	0	113.4	P88 L90 L112 T116	P88-S114 PolarHBondContact O-OG 3.41Å; L90-S114 CarbonylContact O-C 3.53Å; L90-S114 WeakPolarHBondContact O-CB 3.45Å; L112-S114 VanDerWaalsContact C-N 3.26Å; L112-S114 PolarHBondContact O-N 3.03Å; S114-T116 PolarHBondContact O-N 3.44Å; S114-T116 VanDerWaalsContact O-N 3.15Å; S114-T116 PolarHBondContact O-OG1 2.86Å
115	L	98.7	Very high	97.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.155	C	C	.	.			trans	-64.6	116.3	-172.7	-174	65.8	0	0	0	111.3	L90 L93 L109 L112 L118 V139 Q141 V142	L90-L115 WeakPolarHBondContact O-CA 3.26Å; L90-L115 PolarHBondContact O-N 3.06Å; L93-L115 HydrophobicContact CB-CD1 3.75Å; L109-L115 HydrophobicContact CB-CD2 4.46Å; L109-L115 HydrophobicContact CD2-CD2 4.44Å; L112-L115 HydrophobicContact CB-CB 3.9Å; L112-L115 HydrophobicContact CB-CD2 4.46Å; L112-L115 HydrophobicContact CD1-CD2 4.23Å; L112-L115 VanDerWaalsContact O-CB 3.3Å; L112-L115 WeakPolarHBondContact O-CB 3.33Å; L112-L115 PolarHBondContact O-N 2.79Å; L112-L115 VanDerWaalsContact O-N 3.14Å; L115-L118 HydrophobicContact CD2-CD2 4.39Å; L115-V139 HydrophobicContact CD2-CG1 4.41Å; L115-Q141 HydrophobicContact CB-CG 4.32Å; L115-Q141 CarbonylContact O-C 3.08Å; L115-Q141 WeakPolarHBondContact O-CG 3.44Å; L115-V142 HydrophobicContact CD2-CG2 4.13Å; L115-V142 HydrophobicContact CG-CG2 4.11Å; L115-V142 PolarHBondContact O-N 2.98Å
116	T	98.7	Very high	97.7	Very high	30 Å²	30	33.2 Å²	33.2	18%	0.184	16%	0.163	C	C	.	.			trans	-116.9	-39.4	-172.5	-61.6	0	0	0	0	112	T91 S114 R143 V144	T91-T116 PolarHBondContact O-N 3.36Å; S114-T116 PolarHBondContact O-N 3.44Å; S114-T116 VanDerWaalsContact O-N 3.15Å; S114-T116 PolarHBondContact O-OG1 2.86Å; T116-R143 HydrophobicContact CG2-CB 3.9Å; T116-R143 HydrophobicContact CG2-CG 3.94Å; T116-R143 PolarHBondContact O-N 3.17Å; T116-V144 PolarHBondContact O-N 2.9Å; T116-V144 VanDerWaalsContact O-N 3.09Å
117	Y	98.8	Very high	97.6	Very high	114 Å²	114	36.6 Å²	36.6	45%	0.447	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	120.5	-179.3	-57.4	-89	0	0	0	109.4	T91 E92 L93 V144	T91-Y117 PolarHBondContact O-N 3.15Å; E92-Y117 WeakPolarHBondContact CA-O 3.21Å; L93-Y117 PolarHBondContact N-O 3.31Å; Y117-V144 HydrophobicContact CD1-CB 3.7Å; Y117-V144 HydrophobicContact CD1-CG1 4.32Å; Y117-V144 HydrophobicContact CD1-CG2 3.79Å; Y117-V144 HydrophobicContact CE1-CB 4.16Å; Y117-V144 HydrophobicContact CE1-CG2 3.7Å
118	L	98.8	Very high	97.5	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	128.6	-178.5	177.1	60.2	0	0	0	109.5	L93 L109 L115 I120 V135 V142 V144 L145 D146	L93-L118 HydrophobicContact CB-CD1 4.26Å; L93-L118 HydrophobicContact CD2-CD1 4.31Å; L93-L118 HydrophobicContact CG-CD1 4.31Å; L93-L118 WeakPolarHBondContact O-CA 3.33Å; L109-L118 HydrophobicContact CD1-CD1 4.21Å; L109-L118 HydrophobicContact CD1-CD2 3.95Å; L115-L118 HydrophobicContact CD2-CD2 4.39Å; L118-I120 HydrophobicContact CD1-CD1 4.19Å; L118-I120 HydrophobicContact CD1-CG1 3.9Å; L118-I120 HydrophobicContact CD2-CD1 3.79Å; L118-I120 HydrophobicContact CD2-CG1 4.38Å; L118-I120 HydrophobicContact CG-CD1 3.96Å; L118-I120 HydrophobicContact CG-CG1 4Å; L118-V135 HydrophobicContact CD2-CG1 4.12Å; L118-V142 HydrophobicContact CB-CG1 4.1Å; L118-V142 HydrophobicContact CB-CG2 4.04Å; L118-V142 HydrophobicContact CD2-CG2 4.07Å; L118-V144 PolarHBondContact N-O 3.43Å; L118-L145 HydrophobicContact CB-CD1 4.29Å; L118-L145 HydrophobicContact CD2-CD1 4.09Å; L118-L145 HydrophobicContact CG-CD1 4.05Å; L118-L145 CarbonylContact O-C 3.28Å; L118-L145 WeakPolarHBondContact O-CA 3.48Å; L118-D146 PolarHBondContact O-N 3.07Å
119	S	98.6	Very high	97.3	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.007	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	124	168.9	-180	0	0	0	0	109.6	L93 L95 T96	L93-S119 PolarHBondContact O-N 3.23Å; L93-S119 VanDerWaalsContact O-N 3.14Å; L95-S119 CarbonylContact C-O 3.48Å; L95-S119 WeakPolarHBondContact CA-O 3.45Å; L95-S119 WeakPolarHBondContact CB-O 3.43Å; L95-S119 PolarHBondContact N-O 2.85Å; T96-S119 PolarHBondContact OG1-OG 2.86Å
120	I	98.2	Very high	97.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.227	C	C	.	.			trans	-119.6	11.2	175.1	-54	158.4	0	0	0	109.6	L100 L106 L118 N123 V125 T126 Y131 D146	L100-I120 HydrophobicContact CD1-CG2 4.2Å; L106-I120 HydrophobicContact CD1-CD1 4.02Å; L106-I120 HydrophobicContact CD2-CD1 3.93Å; L106-I120 HydrophobicContact CD2-CG2 4.43Å; L118-I120 HydrophobicContact CD1-CD1 4.19Å; L118-I120 HydrophobicContact CD1-CG1 3.9Å; L118-I120 HydrophobicContact CD2-CD1 3.79Å; L118-I120 HydrophobicContact CD2-CG1 4.38Å; L118-I120 HydrophobicContact CG-CD1 3.96Å; L118-I120 HydrophobicContact CG-CG1 4Å; I120-N123 HydrophobicContact CG2-CB 3.89Å; I120-N123 WeakPolarHBondContact O-CB 3.48Å; I120-N123 PolarHBondContact O-N 3.44Å; I120-N123 PolarHBondContact O-ND2 3.4Å; I120-V125 HydrophobicContact CG2-CG1 3.68Å; I120-T126 HydrophobicContact CG2-CG2 4.37Å; I120-T126 WeakPolarHBondContact O-CG2 3.11Å; I120-Y131 HydrophobicContact CD1-CE2 4.29Å; I120-D146 PolarHBondContact N-OD1 3.24Å
121	L	97.9	Very high	97.2	Very high	63 Å²	63	47 Å²	47	33%	0.33	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	147.1	178.3	-73	177.8	0	0	0	112.7	T96 N97 N123 D146 F147	T96-L121 CarbonylContact C-O 3.6Å; T96-L121 VanDerWaalsContact CA-O 3.26Å; T96-L121 WeakPolarHBondContact CA-O 3.26Å; T96-L121 HydrophobicContact CG2-CB 4.08Å; N97-L121 PolarHBondContact N-O 3.23Å; L121-N123 VanDerWaalsContact C-N 3.26Å; L121-N123 PolarHBondContact O-N 2.62Å; L121-N123 PolarHBondContact O-ND2 3.04Å; L121-D146 HydrophobicContact CD1-CB 4.26Å; L121-D146 HydrophobicContact CD2-CB 3.73Å; L121-D146 HydrophobicContact CG-CB 3.74Å; L121-D146 PolarHBondContact N-OD1 2.92Å; L121-F147 HydrophobicContact CD1-CD2 3.65Å; L121-F147 HydrophobicContact CD1-CE2 3.83Å
122	R	96.6	Very high	97.2	Very high	149 Å²	149	48.1 Å²	48.1	56%	0.562	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	34.8	-179.1	-57.3	179.2	169.8	157.5	-0.2	113.8	N97 E218	N97-R122 WeakPolarHBondContact CA-O 3.39Å; N97-R122 HydrophobicContact CB-CB 4.09Å; R122-E218 IonicContact NE-OE2 3.17Å
123	N	97.7	Very high	97.2	Very high	3 Å²	3	49 Å²	49	2%	0.016	23%	0.225	C	C	.	.	S	Bend	trans	-110.1	145.9	164.1	-76.9	-99	0	0	0	109.2	L95 N98 S99 L100 I120 L121 V125 T126	L95-N123 PolarHBondContact O-ND2 3.33Å; N98-N123 VanDerWaalsContact CA-OD1 3.25Å; N98-N123 WeakPolarHBondContact CA-OD1 3.26Å; N98-N123 WeakPolarHBondContact CB-OD1 2.96Å; N98-N123 PolarHBondContact O-OD1 3Å; S99-N123 PolarHBondContact N-OD1 3.36Å; L100-N123 HydrophobicContact CB-CB 4.19Å; L100-N123 WeakPolarHBondContact CB-OD1 3.34Å; L100-N123 PolarHBondContact N-OD1 2.97Å; I120-N123 HydrophobicContact CG2-CB 3.89Å; I120-N123 WeakPolarHBondContact O-CB 3.48Å; I120-N123 PolarHBondContact O-N 3.44Å; I120-N123 PolarHBondContact O-ND2 3.4Å; L121-N123 VanDerWaalsContact C-N 3.26Å; L121-N123 PolarHBondContact O-N 2.62Å; L121-N123 PolarHBondContact O-ND2 3.04Å; N123-V125 HydrophobicContact CB-CG1 3.85Å; N123-V125 PolarHBondContact O-N 2.78Å; N123-T126 HydrophobicContact CB-CG2 4.49Å; N123-T126 PolarHBondContact O-N 3.27Å; N123-T126 PolarHBondContact O-OG1 2.92Å
124	P	96.3	Very high	97.3	Very high	8 Å²	8	41.9 Å²	41.9	5%	0.052	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-54.1	-30	177.6	-26.9	33.6	0	0	0	114.8	L100 V101 T126 N127	L100-P124 VanDerWaalsContact O-CD 3.29Å; L100-P124 WeakPolarHBondContact O-CD 3.47Å; V101-P124 HydrophobicContact CG2-CB 4.32Å; V101-P124 HydrophobicContact CG2-CG 4.36Å; P124-T126 PolarHBondContact O-N 2.88Å; P124-N127 WeakPolarHBondContact O-CB 3.45Å; P124-N127 PolarHBondContact O-N 3.49Å; P124-N127 VanDerWaalsContact O-N 3.13Å
125	V	96.6	Very high	97.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-57.8	-28.6	176.2	70.3	0	0	0	0	113.4	L100 V101 L103 L106 I120 N123 N127 K128 Y131	L100-V125 HydrophobicContact CB-CG1 4.03Å; L100-V125 WeakPolarHBondContact O-CB 3.46Å; L100-V125 PolarHBondContact O-N 3.45Å; V101-V125 WeakPolarHBondContact O-CA 3.46Å; V101-V125 WeakPolarHBondContact O-CB 3.46Å; L103-V125 HydrophobicContact CD2-CG2 3.74Å; L103-V125 HydrophobicContact CG-CG2 4.31Å; L106-V125 HydrophobicContact CD1-CG1 4.34Å; L106-V125 HydrophobicContact CD1-CG2 3.92Å; L106-V125 HydrophobicContact CG-CG2 4.41Å; I120-V125 HydrophobicContact CG2-CG1 3.68Å; N123-V125 HydrophobicContact CB-CG1 3.85Å; N123-V125 PolarHBondContact O-N 2.78Å; V125-N127 PolarHBondContact O-N 2.87Å; V125-K128 WeakPolarHBondContact O-CB 3.11Å; V125-K128 PolarHBondContact O-N 3.49Å; V125-Y131 HydrophobicContact CG1-CE2 4.45Å; V125-Y131 HydrophobicContact CG2-CD2 4.35Å
126	T	96.5	Very high	97.3	Very high	38 Å²	38	40.1 Å²	40.1	23%	0.233	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-67.7	-18.8	-179.6	65.6	0	0	0	0	112.8	I120 N123 P124 K128 Y131	I120-T126 HydrophobicContact CG2-CG2 4.37Å; I120-T126 WeakPolarHBondContact O-CG2 3.11Å; N123-T126 HydrophobicContact CB-CG2 4.49Å; N123-T126 PolarHBondContact O-N 3.27Å; N123-T126 PolarHBondContact O-OG1 2.92Å; P124-T126 PolarHBondContact O-N 2.88Å; T126-K128 VanDerWaalsContact C-N 3.34Å; T126-Y131 HydrophobicContact CG2-CE1 4.08Å; T126-Y131 HydrophobicContact CG2-CE2 4.29Å
127	N	94.8	Very high	97.2	Very high	74 Å²	74	42.7 Å²	42.7	40%	0.396	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-85.1	-6.4	176.5	-64.6	-32.1	0	0	0	113	P124 V125	P124-N127 WeakPolarHBondContact O-CB 3.45Å; P124-N127 PolarHBondContact O-N 3.49Å; P124-N127 VanDerWaalsContact O-N 3.13Å; V125-N127 PolarHBondContact O-N 2.87Å
128	K	94.9	Very high	97.2	Very high	43 Å²	43	40.5 Å²	40.5	19%	0.187	18%	0.181	C	C	.	.	S	Bend	trans	-75.9	144	-179.9	-72.3	-173.1	175.3	-101.3	0	111.6	V101 E102 L103 V125 T126 H130 Y131	V101-K128 WeakPolarHBondContact O-CD 3.38Å; V101-K128 WeakPolarHBondContact O-CE 3.37Å; E102-K128 IonicContact OE1-NZ 2.93Å; E102-K128 PolarHBondContact OE1-NZ 3.39Å; E102-K128 VanDerWaalsContact OE2-CE 3.26Å; E102-K128 WeakPolarHBondContact OE2-CE 3.27Å; E102-K128 IonicContact OE2-NZ 3.42Å; E102-K128 PolarHBondContact OE2-NZ 3.43Å; L103-K128 HydrophobicContact CD1-CB 4.4Å; L103-K128 HydrophobicContact CD2-CB 4.34Å; L103-K128 HydrophobicContact CG-CB 4.23Å; L103-K128 HydrophobicContact CG-CD 4.07Å; V125-K128 WeakPolarHBondContact O-CB 3.11Å; V125-K128 PolarHBondContact O-N 3.49Å; T126-K128 VanDerWaalsContact C-N 3.34Å; K128-H130 PolarHBondContact O-N 2.9Å; K128-Y131 VanDerWaalsContact O-CB 3.32Å; K128-Y131 WeakPolarHBondContact O-CB 3.38Å; K128-Y131 PolarHBondContact O-N 2.99Å; K128-Y131 VanDerWaalsContact O-N 3.16Å
129	K	94.2	Very high	97.1	Very high	166 Å²	166	40.4 Å²	40.4	72%	0.722	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	136.3	175.7	-161.1	-172.2	-177.1	-175.9	0	109.9	Y131	K129-Y131 PolarHBondContact O-N 3.43Å
130	H	95.5	Very high	97.1	Very high	54 Å²	54	43.9 Å²	43.9	25%	0.25	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	11.8	179.9	-48.5	-63	0	0	0	116	K128 R132 L133 Y134 M161 F162	K128-H130 PolarHBondContact O-N 2.9Å; H130-R132 VanDerWaalsContact C-N 3.34Å; H130-R132 PolarHBondContact O-N 3.34Å; H130-L133 PolarHBondContact O-N 3.24Å; H130-Y134 VanDerWaalsContact O-CB 3.28Å; H130-Y134 WeakPolarHBondContact O-CB 3.29Å; H130-Y134 PolarHBondContact O-N 2.83Å; H130-M161 HydrophobicContact CB-SD 4.15Å; H130-M161 PolarHBondContact ND1-SD 3.01Å; H130-F162 HydrophobicContact CB-CZ 4.15Å
131	Y	97.8	Very high	97	Very high	17 Å²	17	45.7 Å²	45.7	7%	0.067	21%	0.212	C	C	.	.	H	α-helix	trans	-42.3	-57.1	179.4	155.9	-105.4	0	0	0	113.2	L103 L106 I120 V125 T126 K128 K129 L133 Y134 V135 D146	L103-Y131 HydrophobicContact CD2-CD2 4.16Å; L106-Y131 HydrophobicContact CD1-CD2 4.33Å; L106-Y131 HydrophobicContact CD1-CE2 4.05Å; I120-Y131 HydrophobicContact CD1-CE2 4.29Å; V125-Y131 HydrophobicContact CG1-CE2 4.45Å; V125-Y131 HydrophobicContact CG2-CD2 4.35Å; T126-Y131 HydrophobicContact CG2-CE1 4.08Å; T126-Y131 HydrophobicContact CG2-CE2 4.29Å; K128-Y131 VanDerWaalsContact O-CB 3.32Å; K128-Y131 WeakPolarHBondContact O-CB 3.38Å; K128-Y131 PolarHBondContact O-N 2.99Å; K128-Y131 VanDerWaalsContact O-N 3.16Å; K129-Y131 PolarHBondContact O-N 3.43Å; Y131-L133 PolarHBondContact O-N 3.01Å; Y131-Y134 WeakPolarHBondContact O-CB 3.28Å; Y131-Y134 PolarHBondContact O-N 3.12Å; Y131-V135 HydrophobicContact CD2-CG2 3.96Å; Y131-V135 HydrophobicContact CE2-CG2 3.62Å; Y131-V135 WeakPolarHBondContact O-CG2 3.45Å; Y131-V135 PolarHBondContact O-N 3.23Å; Y131-D146 VanDerWaalsContact CE1-OD2 3.26Å; Y131-D146 WeakPolarHBondContact CE1-OD2 3.09Å; Y131-D146 PolarHBondContact OH-OD1 3.32Å; Y131-D146 PolarHBondContact OH-OD2 2.85Å
132	R	98	Very high	97.1	Very high	48 Å²	48	42.9 Å²	42.9	18%	0.181	20%	0.197	C	C	.	.	H	α-helix	trans	-61.6	-47.6	-175.4	-174.4	170.5	177.2	80.7	4.2	112.4	H130 Y134 V135 I136 L145 E154	H130-R132 VanDerWaalsContact C-N 3.34Å; H130-R132 PolarHBondContact O-N 3.34Å; R132-Y134 VanDerWaalsContact C-N 3.33Å; R132-Y134 PolarHBondContact O-N 2.78Å; R132-V135 PolarHBondContact O-N 2.7Å; R132-I136 HydrophobicContact CG-CD1 3.91Å; R132-I136 WeakPolarHBondContact O-CD1 3.42Å; R132-I136 VanDerWaalsContact O-CG1 3.22Å; R132-I136 WeakPolarHBondContact O-CG1 3.45Å; R132-I136 PolarHBondContact O-N 3.08Å; R132-L145 HydrophobicContact CG-CD2 4.12Å; R132-L145 PolarHBondContact NH1-O 3.32Å; R132-E154 IonicContact CZ-OE1 3.94Å; R132-E154 IonicContact NE-OE1 3.16Å; R132-E154 PolarHBondContact NE-OE1 2.93Å; R132-E154 IonicContact NH2-OE1 2.74Å; R132-E154 PolarHBondContact NH2-OE1 2.79Å; R132-E154 VanDerWaalsContact NH2-OE1 3.17Å; R132-E154 IonicContact NH2-OE2 3.33Å
133	L	98	Very high	97.2	Very high	20 Å²	20	43.9 Å²	43.9	11%	0.105	20%	0.201	C	C	.	.	H	α-helix	trans	-66.4	-37	178.7	-63.6	179.4	0	0	0	111.7	H130 Y131 I136 Y137 E154 E157 A158 M161 F162	H130-L133 PolarHBondContact O-N 3.24Å; Y131-L133 PolarHBondContact O-N 3.01Å; L133-I136 PolarHBondContact O-N 3.42Å; L133-Y137 WeakPolarHBondContact O-CB 3.4Å; L133-Y137 PolarHBondContact O-N 2.73Å; L133-E154 HydrophobicContact CD2-CB 4.47Å; L133-E157 HydrophobicContact CD1-CG 3.94Å; L133-E157 HydrophobicContact CD2-CB 4.31Å; L133-E157 HydrophobicContact CD2-CG 4.24Å; L133-A158 HydrophobicContact CB-CB 4.12Å; L133-A158 HydrophobicContact CD2-CB 4.17Å; L133-A158 WeakPolarHBondContact O-CB 3.16Å; L133-M161 HydrophobicContact CD1-CE 3.66Å; L133-M161 HydrophobicContact CD1-SD 4.01Å; L133-F162 HydrophobicContact CB-CE2 4.07Å
134	Y	98.2	Very high	97.2	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-62.5	-47.7	177.4	-178.7	-91	0	0	0	111.1	L103 D107 H130 Y131 R132 Y137 K138 F162 I174 A175	L103-Y134 HydrophobicContact CB-CD1 3.89Å; L103-Y134 HydrophobicContact CB-CE1 3.7Å; L103-Y134 HydrophobicContact CB-CG 4.39Å; L103-Y134 HydrophobicContact CD1-CD1 4.45Å; L103-Y134 HydrophobicContact CD1-CD2 4.42Å; L103-Y134 HydrophobicContact CD1-CG 4.19Å; L103-Y134 HydrophobicContact CD2-CD1 3.97Å; L103-Y134 HydrophobicContact CD2-CG 4.31Å; L103-Y134 HydrophobicContact CG-CD1 4.32Å; L103-Y134 WeakPolarHBondContact O-CE1 3.41Å; D107-Y134 PolarHBondContact OD1-OH 2.81Å; H130-Y134 VanDerWaalsContact O-CB 3.28Å; H130-Y134 WeakPolarHBondContact O-CB 3.29Å; H130-Y134 PolarHBondContact O-N 2.83Å; Y131-Y134 WeakPolarHBondContact O-CB 3.28Å; Y131-Y134 PolarHBondContact O-N 3.12Å; R132-Y134 VanDerWaalsContact C-N 3.33Å; R132-Y134 PolarHBondContact O-N 2.78Å; Y134-Y137 PolarHBondContact O-N 3.44Å; Y134-K138 HydrophobicContact CD1-CG 4.16Å; Y134-K138 HydrophobicContact CD2-CG 4.32Å; Y134-K138 HydrophobicContact CE1-CB 4.49Å; Y134-K138 HydrophobicContact CE1-CG 3.8Å; Y134-K138 HydrophobicContact CE2-CG 4.02Å; Y134-K138 HydrophobicContact CG-CG 4.42Å; Y134-K138 WeakPolarHBondContact O-CB 3.43Å; Y134-K138 WeakPolarHBondContact O-CG 3.39Å; Y134-K138 PolarHBondContact O-N 3.04Å; Y134-F162 HydrophobicContact CD2-CE1 4.29Å; Y134-F162 HydrophobicContact CD2-CZ 4.16Å; Y134-I174 HydrophobicContact CD2-CD1 3.75Å; Y134-I174 HydrophobicContact CD2-CG1 4.04Å; Y134-I174 HydrophobicContact CE2-CD1 4.29Å; Y134-I174 HydrophobicContact CE2-CG1 4.06Å; Y134-A175 HydrophobicContact CE2-CB 4.11Å; Y134-A175 WeakPolarHBondContact OH-CB 3.43Å
135	V	98.3	Very high	97.3	Very high	2 Å²	2	45 Å²	45	1%	0.012	21%	0.208	C	C	.	.	H	α-helix	trans	-62.2	-45	175.8	177.5	0	0	0	0	111.1	L106 L118 Y131 R132 Y137 K138 V139 L145	L106-V135 HydrophobicContact CD1-CG2 3.64Å; L118-V135 HydrophobicContact CD2-CG1 4.12Å; Y131-V135 HydrophobicContact CD2-CG2 3.96Å; Y131-V135 HydrophobicContact CE2-CG2 3.62Å; Y131-V135 WeakPolarHBondContact O-CG2 3.45Å; Y131-V135 PolarHBondContact O-N 3.23Å; R132-V135 PolarHBondContact O-N 2.7Å; V135-Y137 VanDerWaalsContact C-N 3.27Å; V135-Y137 PolarHBondContact O-N 3.03Å; V135-K138 PolarHBondContact O-N 2.88Å; V135-V139 HydrophobicContact CG1-CG2 4.45Å; V135-V139 WeakPolarHBondContact O-CA 3.2Å; V135-V139 WeakPolarHBondContact O-CB 3.28Å; V135-V139 PolarHBondContact O-N 2.92Å; V135-L145 HydrophobicContact CB-CD2 3.88Å; V135-L145 HydrophobicContact CG1-CD1 3.96Å; V135-L145 HydrophobicContact CG1-CD2 3.76Å
136	I	98.3	Very high	97.4	Very high	8 Å²	8	45.8 Å²	45.8	4%	0.041	21%	0.212	C	C	.	.	H	α-helix	trans	-59.1	-38.9	177.5	-70.4	166.2	0	0	0	111.8	R132 L133 L145 V150 E154 R155 A158	R132-I136 HydrophobicContact CG-CD1 3.91Å; R132-I136 WeakPolarHBondContact O-CD1 3.42Å; R132-I136 VanDerWaalsContact O-CG1 3.22Å; R132-I136 WeakPolarHBondContact O-CG1 3.45Å; R132-I136 PolarHBondContact O-N 3.08Å; L133-I136 PolarHBondContact O-N 3.42Å; I136-L145 HydrophobicContact CG1-CD2 4.37Å; I136-V150 HydrophobicContact CD1-CG1 3.85Å; I136-V150 HydrophobicContact CD1-CG2 4.36Å; I136-V150 HydrophobicContact CG1-CG1 3.81Å; I136-V150 HydrophobicContact CG1-CG2 4.09Å; I136-V150 HydrophobicContact CG2-CG1 3.95Å; I136-E154 HydrophobicContact CD1-CB 3.87Å; I136-R155 HydrophobicContact CG2-CB 4.44Å; I136-R155 HydrophobicContact CG2-CG 3.89Å; I136-A158 HydrophobicContact CB-CB 4.37Å; I136-A158 HydrophobicContact CG2-CB 4.04Å
137	Y	97.9	Very high	97.5	Very high	84 Å²	84	50.6 Å²	50.6	33%	0.329	23%	0.23	S	C	.	.	H	α-helix	trans	-72.8	-46.3	178.3	-179.2	-107.2	0	0	0	112.6	L133 Y134 V135 F162	L133-Y137 WeakPolarHBondContact O-CB 3.4Å; L133-Y137 PolarHBondContact O-N 2.73Å; Y134-Y137 PolarHBondContact O-N 3.44Å; V135-Y137 VanDerWaalsContact C-N 3.27Å; V135-Y137 PolarHBondContact O-N 3.03Å; Y137-F162 HydrophobicContact CD1-CB 3.41Å; Y137-F162 VanDerWaalsContact CD1-CB 3.41Å; Y137-F162 HydrophobicContact CD1-CD2 4.02Å; Y137-F162 AromaticContact CD1-CG 3.9Å; Y137-F162 HydrophobicContact CD1-CG 3.9Å; Y137-F162 HydrophobicContact CD2-CB 3.84Å; Y137-F162 HydrophobicContact CD2-CD2 4.42Å; Y137-F162 HydrophobicContact CE1-CB 3.39Å; Y137-F162 HydrophobicContact CE1-CG 4.32Å; Y137-F162 HydrophobicContact CE2-CB 3.82Å; Y137-F162 HydrophobicContact CG-CB 3.64Å; Y137-F162 AromaticContact CG-CD2 3.79Å; Y137-F162 HydrophobicContact CG-CD2 3.79Å; Y137-F162 HydrophobicContact CG-CG 4.07Å; Y137-F162 PolarHBondContact OH-O 2.82Å
138	K	97.4	Very high	97.6	Very high	67 Å²	67	52.6 Å²	52.6	29%	0.291	24%	0.237	S	C	.	.	H	α-helix	trans	-78.1	-30.7	-174.3	-71.9	-63.3	-50.4	-148.1	0	113.4	D107 A110 Y134 V135 P140	D107-K138 WeakPolarHBondContact OD1-CE 3.24Å; D107-K138 IonicContact OD1-NZ 3.78Å; D107-K138 PolarHBondContact OD1-NZ 3.02Å; A110-K138 WeakPolarHBondContact CB-O 3.05Å; Y134-K138 HydrophobicContact CD1-CG 4.16Å; Y134-K138 HydrophobicContact CD2-CG 4.32Å; Y134-K138 HydrophobicContact CE1-CB 4.49Å; Y134-K138 HydrophobicContact CE1-CG 3.8Å; Y134-K138 HydrophobicContact CE2-CG 4.02Å; Y134-K138 HydrophobicContact CG-CG 4.42Å; Y134-K138 WeakPolarHBondContact O-CB 3.43Å; Y134-K138 WeakPolarHBondContact O-CG 3.39Å; Y134-K138 PolarHBondContact O-N 3.04Å; V135-K138 PolarHBondContact O-N 2.88Å; K138-P140 WeakPolarHBondContact O-CD 3.47Å
139	V	97.7	Very high	97.8	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.012	26%	0.261	C	S	.	.			trans	-123.3	64.3	-177.3	-162.7	0	0	0	0	109.4	L109 L115 V135 Q141 V142	L109-V139 HydrophobicContact CB-CG1 4.34Å; L109-V139 HydrophobicContact CB-CG2 3.97Å; L115-V139 HydrophobicContact CD2-CG1 4.41Å; V135-V139 HydrophobicContact CG1-CG2 4.45Å; V135-V139 WeakPolarHBondContact O-CA 3.2Å; V135-V139 WeakPolarHBondContact O-CB 3.28Å; V135-V139 PolarHBondContact O-N 2.92Å; V139-Q141 VanDerWaalsContact C-OE1 3.29Å; V139-Q141 HydrophobicContact CG1-CG 4.21Å; V139-Q141 PolarHBondContact O-N 2.88Å; V139-Q141 VanDerWaalsContact O-N 3.1Å; V139-V142 HydrophobicContact CB-CG2 4.31Å; V139-V142 HydrophobicContact CG1-CG2 3.64Å; V139-V142 PolarHBondContact O-N 3.45Å
140	P	97.4	Very high	98	Very high	73 Å²	73	50.8 Å²	50.8	47%	0.474	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.8	-169.2	26.7	-36.5	0	0	0	114.4	K138 V142 R155	K138-P140 WeakPolarHBondContact O-CD 3.47Å; P140-V142 VanDerWaalsContact C-N 3.28Å; P140-V142 PolarHBondContact O-N 3.35Å; P140-R155 PolarHBondContact O-NH1 2.57Å
141	Q	97.9	Very high	98.1	Very high	39 Å²	39	54.9 Å²	54.9	18%	0.182	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-25.3	177.9	62.7	-88.5	33.6	0	0	113.8	L109 A110 L112 L115 V139 R143	L109-Q141 PolarHBondContact O-NE2 3.22Å; A110-Q141 PolarHBondContact O-NE2 3.33Å; L112-Q141 WeakPolarHBondContact O-CG 3.31Å; L112-Q141 PolarHBondContact O-NE2 3.33Å; L115-Q141 HydrophobicContact CB-CG 4.32Å; L115-Q141 CarbonylContact O-C 3.08Å; L115-Q141 WeakPolarHBondContact O-CG 3.44Å; V139-Q141 VanDerWaalsContact C-OE1 3.29Å; V139-Q141 HydrophobicContact CG1-CG 4.21Å; V139-Q141 PolarHBondContact O-N 2.88Å; V139-Q141 VanDerWaalsContact O-N 3.1Å; Q141-R143 PolarHBondContact O-N 3.05Å
142	V	98.6	Very high	98.1	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.018	27%	0.273	C	S	.	.			trans	-64.2	129.5	-179.9	170	0	0	0	0	110.1	L115 L118 V139 P140 V144 L145 R155	L115-V142 HydrophobicContact CD2-CG2 4.13Å; L115-V142 HydrophobicContact CG-CG2 4.11Å; L115-V142 PolarHBondContact O-N 2.98Å; L118-V142 HydrophobicContact CB-CG1 4.1Å; L118-V142 HydrophobicContact CB-CG2 4.04Å; L118-V142 HydrophobicContact CD2-CG2 4.07Å; V139-V142 HydrophobicContact CB-CG2 4.31Å; V139-V142 HydrophobicContact CG1-CG2 3.64Å; V139-V142 PolarHBondContact O-N 3.45Å; P140-V142 VanDerWaalsContact C-N 3.28Å; P140-V142 PolarHBondContact O-N 3.35Å; V142-V144 WeakPolarHBondContact CG1-O 3.41Å; V142-L145 HydrophobicContact CG1-CB 4.06Å; V142-R155 PolarHBondContact O-NH2 3.19Å
143	R	98.6	Very high	98.1	Very high	171 Å²	171	65 Å²	65	65%	0.645	30%	0.298	S	S	*	.	S	Bend	trans	-104.5	-30.2	178.6	-62.7	-172.5	-178.7	-174.1	-1.1	112.7	T116 Q141 V150	T116-R143 HydrophobicContact CG2-CB 3.9Å; T116-R143 HydrophobicContact CG2-CG 3.94Å; T116-R143 PolarHBondContact O-N 3.17Å; Q141-R143 PolarHBondContact O-N 3.05Å; R143-V150 PolarHBondContact O-N 2.82Å
144	V	98.8	Very high	98.2	Very high	34 Å²	34	65.6 Å²	65.6	21%	0.206	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	116.3	176.5	-177.6	0	0	0	0	107.9	T116 Y117 L118 V142	T116-V144 PolarHBondContact O-N 2.9Å; T116-V144 VanDerWaalsContact O-N 3.09Å; Y117-V144 HydrophobicContact CD1-CB 3.7Å; Y117-V144 HydrophobicContact CD1-CG1 4.32Å; Y117-V144 HydrophobicContact CD1-CG2 3.79Å; Y117-V144 HydrophobicContact CE1-CB 4.16Å; Y117-V144 HydrophobicContact CE1-CG2 3.7Å; L118-V144 PolarHBondContact N-O 3.43Å; V142-V144 WeakPolarHBondContact CG1-O 3.41Å
145	L	98.7	Very high	98.2	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.1	178.1	176.1	61.4	0	0	0	108.8	L118 R132 V135 I136 V142 F147 Q148 V150	L118-L145 HydrophobicContact CB-CD1 4.29Å; L118-L145 HydrophobicContact CD2-CD1 4.09Å; L118-L145 HydrophobicContact CG-CD1 4.05Å; L118-L145 CarbonylContact O-C 3.28Å; L118-L145 WeakPolarHBondContact O-CA 3.48Å; R132-L145 HydrophobicContact CG-CD2 4.12Å; R132-L145 PolarHBondContact NH1-O 3.32Å; V135-L145 HydrophobicContact CB-CD2 3.88Å; V135-L145 HydrophobicContact CG1-CD1 3.96Å; V135-L145 HydrophobicContact CG1-CD2 3.76Å; I136-L145 HydrophobicContact CG1-CD2 4.37Å; V142-L145 HydrophobicContact CG1-CB 4.06Å; L145-F147 VanDerWaalsContact C-N 3.31Å; L145-F147 PolarHBondContact O-N 2.93Å; L145-Q148 PolarHBondContact N-O 3.48Å; L145-Q148 WeakPolarHBondContact O-CB 3.27Å; L145-Q148 PolarHBondContact O-N 3.38Å; L145-Q148 VanDerWaalsContact O-O 3.08Å; L145-V150 HydrophobicContact CB-CG2 3.98Å
146	D	98.3	Very high	98.2	Very high	17 Å²	17	74.1 Å²	74.1	9%	0.091	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	46.2	179.8	-59.9	-39.2	0	0	0	112	L118 I120 L121 Y131 Q148	L118-D146 PolarHBondContact O-N 3.07Å; I120-D146 PolarHBondContact N-OD1 3.24Å; L121-D146 HydrophobicContact CD1-CB 4.26Å; L121-D146 HydrophobicContact CD2-CB 3.73Å; L121-D146 HydrophobicContact CG-CB 3.74Å; L121-D146 PolarHBondContact N-OD1 2.92Å; Y131-D146 VanDerWaalsContact CE1-OD2 3.26Å; Y131-D146 WeakPolarHBondContact CE1-OD2 3.09Å; Y131-D146 PolarHBondContact OH-OD1 3.32Å; Y131-D146 PolarHBondContact OH-OD2 2.85Å; D146-Q148 PolarHBondContact O-N 3.18Å; D146-Q148 VanDerWaalsContact O-N 3.07Å
147	F	97.5	Very high	98.1	Very high	138 Å²	138	78.2 Å²	78.2	61%	0.605	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	15.2	-175.6	-50.1	-72.1	0	0	0	114.8	L121 L145	L121-F147 HydrophobicContact CD1-CD2 3.65Å; L121-F147 HydrophobicContact CD1-CE2 3.83Å; L145-F147 VanDerWaalsContact C-N 3.31Å; L145-F147 PolarHBondContact O-N 2.93Å
148	Q	98.2	Very high	98.1	Very high	116 Å²	116	74.2 Å²	74.2	54%	0.542	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.9	175.7	-63.2	-176.5	-4.8	0	0	111	L145 D146 V150	L145-Q148 PolarHBondContact N-O 3.48Å; L145-Q148 WeakPolarHBondContact O-CB 3.27Å; L145-Q148 PolarHBondContact O-N 3.38Å; L145-Q148 VanDerWaalsContact O-O 3.08Å; D146-Q148 PolarHBondContact O-N 3.18Å; D146-Q148 VanDerWaalsContact O-N 3.07Å; Q148-V150 PolarHBondContact O-N 3.02Å
149	K	98.5	Very high	98.1	Very high	161 Å²	161	75.1 Å²	75.1	70%	0.7	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	128.8	175.2	-174.4	175.4	-177	175.5	0	110.6	K151	K149-K151 PolarHBondContact O-N 2.91Å
150	V	98.6	Very high	98.1	Very high	11 Å²	11	84 Å²	84	7%	0.067	38%	0.384	C	S	.	.			trans	-74	113.3	173.4	177.8	0	0	0	0	108.9	I136 R143 L145 Q148 R155	I136-V150 HydrophobicContact CD1-CG1 3.85Å; I136-V150 HydrophobicContact CD1-CG2 4.36Å; I136-V150 HydrophobicContact CG1-CG1 3.81Å; I136-V150 HydrophobicContact CG1-CG2 4.09Å; I136-V150 HydrophobicContact CG2-CG1 3.95Å; R143-V150 PolarHBondContact O-N 2.82Å; L145-V150 HydrophobicContact CB-CG2 3.98Å; Q148-V150 PolarHBondContact O-N 3.02Å; V150-R155 HydrophobicContact CG1-CG 3.9Å
151	K	98.3	Very high	98	Very high	139 Å²	139	82.9 Å²	82.9	60%	0.604	37%	0.372	S	S	*	.			trans	-85.4	155.7	-178.6	-60.4	177.7	-176.5	176.4	0	111.3	K149 K153 E154 R155	K149-K151 PolarHBondContact O-N 2.91Å; K151-K153 VanDerWaalsContact C-N 3.27Å; K151-K153 PolarHBondContact O-N 3.34Å; K151-E154 HydrophobicContact CB-CG 4.38Å; K151-E154 WeakPolarHBondContact CB-OE2 3.2Å; K151-E154 PolarHBondContact N-OE2 2.82Å; K151-E154 PolarHBondContact O-N 2.82Å; K151-E154 VanDerWaalsContact O-N 3.15Å; K151-R155 PolarHBondContact O-N 3.35Å
152	L	97.9	Very high	98	Very high	119 Å²	119	81 Å²	81	62%	0.623	36%	0.364	S	S	*	.	H	α-helix	trans	-58.2	-39	177	-178.8	61	0	0	0	112.5	E154 R155 Q156	L152-E154 VanDerWaalsContact C-N 3.3Å; L152-E154 PolarHBondContact O-N 2.86Å; L152-R155 WeakPolarHBondContact O-CB 3.2Å; L152-R155 PolarHBondContact O-N 2.67Å; L152-R155 VanDerWaalsContact O-N 3.12Å; L152-Q156 WeakPolarHBondContact O-CG 3.2Å; L152-Q156 PolarHBondContact O-N 3.03Å
153	K	98.2	Very high	97.7	Very high	160 Å²	160	86.9 Å²	86.9	70%	0.696	39%	0.389	S	S	*	.	H	α-helix	trans	-56.1	-43.8	176.3	-175.3	-179.2	177.8	-177.3	0	112.1	K151 R155 Q156 E157	K151-K153 VanDerWaalsContact C-N 3.27Å; K151-K153 PolarHBondContact O-N 3.34Å; K153-R155 VanDerWaalsContact C-N 3.34Å; K153-Q156 PolarHBondContact O-N 3.16Å; K153-E157 WeakPolarHBondContact O-CB 3.46Å; K153-E157 PolarHBondContact O-N 3Å
154	E	98.2	Very high	97.5	Very high	32 Å²	32	81.1 Å²	81.1	15%	0.15	38%	0.383	C	S	.	.	H	α-helix	trans	-67.5	-36.4	178.9	-60.1	171.8	87.3	0	0	111.2	R132 L133 I136 K151 L152 E157 A158	R132-E154 IonicContact CZ-OE1 3.94Å; R132-E154 IonicContact NE-OE1 3.16Å; R132-E154 PolarHBondContact NE-OE1 2.93Å; R132-E154 IonicContact NH2-OE1 2.74Å; R132-E154 PolarHBondContact NH2-OE1 2.79Å; R132-E154 VanDerWaalsContact NH2-OE1 3.17Å; R132-E154 IonicContact NH2-OE2 3.33Å; L133-E154 HydrophobicContact CD2-CB 4.47Å; I136-E154 HydrophobicContact CD1-CB 3.87Å; K151-E154 HydrophobicContact CB-CG 4.38Å; K151-E154 WeakPolarHBondContact CB-OE2 3.2Å; K151-E154 PolarHBondContact N-OE2 2.82Å; K151-E154 PolarHBondContact O-N 2.82Å; K151-E154 VanDerWaalsContact O-N 3.15Å; L152-E154 VanDerWaalsContact C-N 3.3Å; L152-E154 PolarHBondContact O-N 2.86Å; E154-E157 PolarHBondContact O-N 3.14Å; E154-A158 VanDerWaalsContact O-CB 3.26Å; E154-A158 WeakPolarHBondContact O-CB 3.22Å; E154-A158 PolarHBondContact O-N 3.41Å
155	R	98.3	Very high	97.3	Very high	69 Å²	69	89 Å²	89	26%	0.26	41%	0.414	S	S	.	.	H	α-helix	trans	-62.9	-45.5	175	-64	-176.3	-177.2	-79.7	-0.2	111.8	I136 P140 V142 V150 K151 L152 K153 E157 A158 E159	I136-R155 HydrophobicContact CG2-CB 4.44Å; I136-R155 HydrophobicContact CG2-CG 3.89Å; P140-R155 PolarHBondContact O-NH1 2.57Å; V142-R155 PolarHBondContact O-NH2 3.19Å; V150-R155 HydrophobicContact CG1-CG 3.9Å; K151-R155 PolarHBondContact O-N 3.35Å; L152-R155 WeakPolarHBondContact O-CB 3.2Å; L152-R155 PolarHBondContact O-N 2.67Å; L152-R155 VanDerWaalsContact O-N 3.12Å; K153-R155 VanDerWaalsContact C-N 3.34Å; R155-E157 VanDerWaalsContact C-N 3.33Å; R155-A158 PolarHBondContact O-N 3.19Å; R155-E159 WeakPolarHBondContact O-CB 3.4Å; R155-E159 PolarHBondContact O-N 2.76Å
156	Q	98.1	Very high	97.1	Very high	113 Å²	113	100.2 Å²	100.2	53%	0.528	46%	0.456	S	S	.	.	H	α-helix	trans	-64.2	-39.5	177.3	-68.9	170.9	-19	0	0	111.7	L152 K153 E159 K160	L152-Q156 WeakPolarHBondContact O-CG 3.2Å; L152-Q156 PolarHBondContact O-N 3.03Å; K153-Q156 PolarHBondContact O-N 3.16Å; Q156-E159 PolarHBondContact O-N 2.77Å; Q156-K160 WeakPolarHBondContact O-CB 3.26Å; Q156-K160 PolarHBondContact O-N 3.1Å
157	E	97.9	Very high	96.9	Very high	95 Å²	95	99.7 Å²	99.7	44%	0.444	46%	0.455	S	S	.	.	H	α-helix	trans	-64.6	-46.9	175.7	-174	179.3	174.1	0	0	111.8	L133 K153 E154 R155 E159 K160 M161	L133-E157 HydrophobicContact CD1-CG 3.94Å; L133-E157 HydrophobicContact CD2-CB 4.31Å; L133-E157 HydrophobicContact CD2-CG 4.24Å; K153-E157 WeakPolarHBondContact O-CB 3.46Å; K153-E157 PolarHBondContact O-N 3Å; E154-E157 PolarHBondContact O-N 3.14Å; R155-E157 VanDerWaalsContact C-N 3.33Å; E157-E159 VanDerWaalsContact C-N 3.35Å; E157-E159 PolarHBondContact O-N 2.98Å; E157-K160 PolarHBondContact O-N 2.97Å; E157-M161 WeakPolarHBondContact O-CB 3.11Å; E157-M161 PolarHBondContact O-N 3.45Å
158	A	97.9	Very high	96.6	Very high	0 Å²	0	95.7 Å²	95.7	0%	0	45%	0.448	C	S	.	.	H	α-helix	trans	-61.4	-42.8	176.1	0	0	0	0	0	111.5	L133 I136 E154 R155 M161 F162	L133-A158 HydrophobicContact CB-CB 4.12Å; L133-A158 HydrophobicContact CD2-CB 4.17Å; L133-A158 WeakPolarHBondContact O-CB 3.16Å; I136-A158 HydrophobicContact CB-CB 4.37Å; I136-A158 HydrophobicContact CG2-CB 4.04Å; E154-A158 VanDerWaalsContact O-CB 3.26Å; E154-A158 WeakPolarHBondContact O-CB 3.22Å; E154-A158 PolarHBondContact O-N 3.41Å; R155-A158 PolarHBondContact O-N 3.19Å; A158-M161 PolarHBondContact O-N 3.09Å; A158-F162 VanDerWaalsContact O-CD2 3.28Å; A158-F162 WeakPolarHBondContact O-CD2 3.17Å; A158-F162 PolarHBondContact O-N 3.01Å
159	E	97.2	Very high	96.4	Very high	85 Å²	85	94.8 Å²	94.8	40%	0.397	44%	0.443	S	S	.	.	H	α-helix	trans	-61.7	-47.5	174.7	-172.5	176.7	-173.7	0	0	111.5	R155 Q156 E157 M161 F162 K163	R155-E159 WeakPolarHBondContact O-CB 3.4Å; R155-E159 PolarHBondContact O-N 2.76Å; Q156-E159 PolarHBondContact O-N 2.77Å; E157-E159 VanDerWaalsContact C-N 3.35Å; E157-E159 PolarHBondContact O-N 2.98Å; E159-M161 PolarHBondContact O-N 2.85Å; E159-F162 PolarHBondContact O-N 3.19Å; E159-K163 HydrophobicContact CG-CB 4.19Å; E159-K163 HydrophobicContact CG-CD 3.67Å; E159-K163 WeakPolarHBondContact O-CB 3.24Å; E159-K163 PolarHBondContact O-N 3.01Å; E159-K163 WeakPolarHBondContact OE1-CD 3.34Å; E159-K163 IonicContact OE1-NZ 3.73Å; E159-K163 PolarHBondContact OE1-NZ 3.42Å
160	K	96.7	Very high	96.2	Very high	190 Å²	190	90.1 Å²	90.1	83%	0.826	43%	0.426	S	S	*	.	H	α-helix	trans	-59.3	-36.6	176.8	-176.3	-179.2	178.1	-177.3	0	112.3	Q156 E157	Q156-K160 WeakPolarHBondContact O-CB 3.26Å; Q156-K160 PolarHBondContact O-N 3.1Å; E157-K160 PolarHBondContact O-N 2.97Å
161	M	96.6	Very high	95.9	Very high	48 Å²	48	90.1 Å²	90.1	24%	0.236	43%	0.427	C	S	.	.	H	α-helix	trans	-73.9	-42.2	-177.6	-175.1	172	-69.4	0	0	113	H130 L133 E157 A158 E159 G167 L170	H130-M161 HydrophobicContact CB-SD 4.15Å; H130-M161 PolarHBondContact ND1-SD 3.01Å; L133-M161 HydrophobicContact CD1-CE 3.66Å; L133-M161 HydrophobicContact CD1-SD 4.01Å; E157-M161 WeakPolarHBondContact O-CB 3.11Å; E157-M161 PolarHBondContact O-N 3.45Å; A158-M161 PolarHBondContact O-N 3.09Å; E159-M161 PolarHBondContact O-N 2.85Å; M161-G167 VanDerWaalsContact O-CA 3.29Å; M161-G167 WeakPolarHBondContact O-CA 3.28Å; M161-L170 HydrophobicContact CG-CD2 4.03Å
162	F	96.6	Very high	95.6	Very high	0 Å²	0	90.7 Å²	90.7	0%	0	43%	0.43	C	S	.	.	H	α-helix	trans	-109.7	-10.1	-168.9	-61.2	-63.8	0	0	0	114.9	H130 L133 Y134 Y137 A158 E159 G167 A168 L170 A171 I174	H130-F162 HydrophobicContact CB-CZ 4.15Å; L133-F162 HydrophobicContact CB-CE2 4.07Å; Y134-F162 HydrophobicContact CD2-CE1 4.29Å; Y134-F162 HydrophobicContact CD2-CZ 4.16Å; Y137-F162 HydrophobicContact CD1-CB 3.41Å; Y137-F162 VanDerWaalsContact CD1-CB 3.41Å; Y137-F162 HydrophobicContact CD1-CD2 4.02Å; Y137-F162 AromaticContact CD1-CG 3.9Å; Y137-F162 HydrophobicContact CD1-CG 3.9Å; Y137-F162 HydrophobicContact CD2-CB 3.84Å; Y137-F162 HydrophobicContact CD2-CD2 4.42Å; Y137-F162 HydrophobicContact CE1-CB 3.39Å; Y137-F162 HydrophobicContact CE1-CG 4.32Å; Y137-F162 HydrophobicContact CE2-CB 3.82Å; Y137-F162 HydrophobicContact CG-CB 3.64Å; Y137-F162 AromaticContact CG-CD2 3.79Å; Y137-F162 HydrophobicContact CG-CD2 3.79Å; Y137-F162 HydrophobicContact CG-CG 4.07Å; Y137-F162 PolarHBondContact OH-O 2.82Å; A158-F162 VanDerWaalsContact O-CD2 3.28Å; A158-F162 WeakPolarHBondContact O-CD2 3.17Å; A158-F162 PolarHBondContact O-N 3.01Å; E159-F162 PolarHBondContact O-N 3.19Å; F162-G167 CarbonylContact O-C 3.01Å; F162-G167 WeakPolarHBondContact O-CA 3.34Å; F162-A168 PolarHBondContact O-N 2.95Å; F162-L170 HydrophobicContact CD1-CD2 4.45Å; F162-L170 HydrophobicContact CE1-CD2 4.17Å; F162-L170 HydrophobicContact CE1-CG 4.27Å; F162-A171 HydrophobicContact CD1-CB 3.9Å; F162-I174 HydrophobicContact CE1-CD1 3.62Å; F162-I174 HydrophobicContact CZ-CD1 3.93Å
163	K	93.1	Very high	95.4	Very high	127 Å²	127	89 Å²	89	55%	0.552	42%	0.421	S	S	*	.	S	Bend	trans	-77.9	155.8	175.5	-165.9	172.7	-175	177.5	0	112	E159	E159-K163 HydrophobicContact CG-CB 4.19Å; E159-K163 HydrophobicContact CG-CD 3.67Å; E159-K163 WeakPolarHBondContact O-CB 3.24Å; E159-K163 PolarHBondContact O-N 3.01Å; E159-K163 WeakPolarHBondContact OE1-CD 3.34Å; E159-K163 IonicContact OE1-NZ 3.73Å; E159-K163 PolarHBondContact OE1-NZ 3.42Å
164	G	94.8	Very high	95.1	Very high	49 Å²	49	83.2 Å²	83.2	51%	0.505	40%	0.398	S	S	.	.	H	α-helix	trans	78	175.5	179.9	0	0	0	0	0	113.5	R166 G167 A168	G164-R166 PolarHBondContact O-N 2.7Å; G164-G167 PolarHBondContact O-N 3.24Å; G164-A168 WeakPolarHBondContact O-CB 3.16Å; G164-A168 PolarHBondContact O-N 2.84Å
165	K	94.4	Very high	94.7	Very high	200 Å²	200	82.7 Å²	82.7	87%	0.87	40%	0.399	S	S	*	.	H	α-helix	trans	-59.1	-45.6	-173.4	-66.2	-175.5	178.7	-177.9	0	112.9	Q169	K165-Q169 PolarHBondContact O-N 2.82Å; K165-Q169 VanDerWaalsContact O-N 3.09Å
166	R	92.9	Very high	94.2	Very high	235 Å²	235	86.4 Å²	86.4	89%	0.887	41%	0.413	S	S	*	.	H	α-helix	trans	-66.7	-43.5	178.9	-69.2	-175.6	-178.1	157.1	0.1	112.2	G164 Q169 L170	G164-R166 PolarHBondContact O-N 2.7Å; R166-Q169 PolarHBondContact O-N 3.33Å; R166-L170 PolarHBondContact O-N 2.89Å
167	G	94.3	Very high	93.5	Very high	6 Å²	6	86.8 Å²	86.8	6%	0.062	41%	0.409	C	S	.	.	H	α-helix	trans	-66.1	-38.4	178.2	0	0	0	0	0	112.8	M161 F162 G164 L170 A171	M161-G167 VanDerWaalsContact O-CA 3.29Å; M161-G167 WeakPolarHBondContact O-CA 3.28Å; F162-G167 CarbonylContact O-C 3.01Å; F162-G167 WeakPolarHBondContact O-CA 3.34Å; G164-G167 PolarHBondContact O-N 3.24Å; G167-L170 PolarHBondContact O-N 2.99Å; G167-A171 WeakPolarHBondContact O-CB 3.36Å; G167-A171 PolarHBondContact O-N 3.41Å
168	A	92.7	Very high	92.8	Very high	55 Å²	55	83.4 Å²	83.4	46%	0.455	40%	0.396	S	S	.	.	H	α-helix	trans	-65.1	-39.7	174.7	0	0	0	0	0	112.1	F162 G164 A171 K172	F162-A168 PolarHBondContact O-N 2.95Å; G164-A168 WeakPolarHBondContact O-CB 3.16Å; G164-A168 PolarHBondContact O-N 2.84Å; A168-A171 PolarHBondContact O-N 3.29Å; A168-K172 WeakPolarHBondContact O-CB 3.29Å; A168-K172 PolarHBondContact O-N 3.21Å
169	Q	93.7	Very high	91.7	Very high	96 Å²	96	93.6 Å²	93.6	45%	0.449	44%	0.441	S	S	.	.	H	α-helix	trans	-64	-46.9	173.5	-173.4	59.5	44.6	0	0	111.1	K165 R166 A171 K172 D173	K165-Q169 PolarHBondContact O-N 2.82Å; K165-Q169 VanDerWaalsContact O-N 3.09Å; R166-Q169 PolarHBondContact O-N 3.33Å; Q169-A171 VanDerWaalsContact C-N 3.33Å; Q169-A171 PolarHBondContact O-N 3.13Å; Q169-K172 WeakPolarHBondContact O-CB 3.41Å; Q169-K172 PolarHBondContact O-N 3.11Å; Q169-K172 VanDerWaalsContact O-N 3.11Å; Q169-D173 PolarHBondContact NE2-OD1 2.96Å; Q169-D173 PolarHBondContact O-N 3.12Å
170	L	93.5	Very high	90.2	Very high	63 Å²	63	92.2 Å²	92.2	33%	0.33	44%	0.438	S	S	.	.	H	α-helix	trans	-57.2	-46.4	175	176	64	0	0	0	111.6	M161 F162 R166 G167 K172 D173 I174	M161-L170 HydrophobicContact CG-CD2 4.03Å; F162-L170 HydrophobicContact CD1-CD2 4.45Å; F162-L170 HydrophobicContact CE1-CD2 4.17Å; F162-L170 HydrophobicContact CE1-CG 4.27Å; R166-L170 PolarHBondContact O-N 2.89Å; G167-L170 PolarHBondContact O-N 2.99Å; L170-K172 VanDerWaalsContact C-N 3.31Å; L170-K172 PolarHBondContact O-N 3.24Å; L170-D173 PolarHBondContact O-N 3.18Å; L170-I174 HydrophobicContact CD1-CG2 4.13Å; L170-I174 WeakPolarHBondContact O-CG1 3.48Å; L170-I174 PolarHBondContact O-N 3.46Å; L170-I174 VanDerWaalsContact O-N 3.1Å
171	A	93.2	Very high	88.3	Confident	12 Å²	12	89.4 Å²	89.4	10%	0.099	43%	0.426	C	S	.	.	H	α-helix	trans	-57.1	-46.2	176.3	0	0	0	0	0	110.5	F162 G167 A168 Q169 D173 I174 A175	F162-A171 HydrophobicContact CD1-CB 3.9Å; G167-A171 WeakPolarHBondContact O-CB 3.36Å; G167-A171 PolarHBondContact O-N 3.41Å; A168-A171 PolarHBondContact O-N 3.29Å; Q169-A171 VanDerWaalsContact C-N 3.33Å; Q169-A171 PolarHBondContact O-N 3.13Å; A171-D173 PolarHBondContact O-N 3.12Å; A171-I174 WeakPolarHBondContact O-CG1 3.47Å; A171-I174 PolarHBondContact O-N 2.76Å; A171-A175 WeakPolarHBondContact O-CA 3.3Å; A171-A175 WeakPolarHBondContact O-CB 3.39Å; A171-A175 PolarHBondContact O-N 2.86Å
172	K	92.5	Very high	86.3	Confident	151 Å²	151	91.3 Å²	91.3	66%	0.657	44%	0.437	S	S	*	.	H	α-helix	trans	-62.2	-40.5	177.2	-172	-179.7	179.3	-177.3	0	112.8	A168 Q169 L170 I174	A168-K172 WeakPolarHBondContact O-CB 3.29Å; A168-K172 PolarHBondContact O-N 3.21Å; Q169-K172 WeakPolarHBondContact O-CB 3.41Å; Q169-K172 PolarHBondContact O-N 3.11Å; Q169-K172 VanDerWaalsContact O-N 3.11Å; L170-K172 VanDerWaalsContact C-N 3.31Å; L170-K172 PolarHBondContact O-N 3.24Å; K172-I174 VanDerWaalsContact C-N 3.35Å; K172-I174 PolarHBondContact O-N 3.04Å
173	D	92.4	Very high	84.2	Confident	82 Å²	82	96.7 Å²	96.7	44%	0.439	47%	0.472	S	S	.	.	H	α-helix	trans	-68	-35.2	-177.6	-66.4	-21.6	0	0	0	112.3	Q169 L170 A171 R176	Q169-D173 PolarHBondContact NE2-OD1 2.96Å; Q169-D173 PolarHBondContact O-N 3.12Å; L170-D173 PolarHBondContact O-N 3.18Å; A171-D173 PolarHBondContact O-N 3.12Å; D173-R176 PolarHBondContact O-NE 2.85Å
174	I	92.3	Very high	82.3	Confident	40 Å²	40	94.7 Å²	94.7	21%	0.205	49%	0.487	C	S	.	.	H	α-helix	trans	-91.2	-22.9	178.3	73.8	179.4	0	0	0	113.2	L103 Y134 F162 L170 A171 K172 R176	L103-I174 HydrophobicContact CD1-CB 4.03Å; L103-I174 HydrophobicContact CD1-CD1 3.86Å; L103-I174 HydrophobicContact CD1-CG1 3.89Å; Y134-I174 HydrophobicContact CD2-CD1 3.75Å; Y134-I174 HydrophobicContact CD2-CG1 4.04Å; Y134-I174 HydrophobicContact CE2-CD1 4.29Å; Y134-I174 HydrophobicContact CE2-CG1 4.06Å; F162-I174 HydrophobicContact CE1-CD1 3.62Å; F162-I174 HydrophobicContact CZ-CD1 3.93Å; L170-I174 HydrophobicContact CD1-CG2 4.13Å; L170-I174 WeakPolarHBondContact O-CG1 3.48Å; L170-I174 PolarHBondContact O-N 3.46Å; L170-I174 VanDerWaalsContact O-N 3.1Å; A171-I174 WeakPolarHBondContact O-CG1 3.47Å; A171-I174 PolarHBondContact O-N 2.76Å; K172-I174 VanDerWaalsContact C-N 3.35Å; K172-I174 PolarHBondContact O-N 3.04Å; I174-R176 PolarHBondContact O-N 2.83Å
175	A	89.6	Confident	80.3	Confident	21 Å²	21	95.2 Å²	95.2	17%	0.174	49%	0.487	C	S	.	.			trans	-75.2	35.7	177.1	0	0	0	0	0	113.2	Y134 A171	Y134-A175 HydrophobicContact CE2-CB 4.11Å; Y134-A175 WeakPolarHBondContact OH-CB 3.43Å; A171-A175 WeakPolarHBondContact O-CA 3.3Å; A171-A175 WeakPolarHBondContact O-CB 3.39Å; A171-A175 PolarHBondContact O-N 2.86Å
176	R	88.4	Confident	78.2	Confident	146 Å²	146	89.1 Å²	89.1	55%	0.551	48%	0.481	S	S	*	.			trans	-58.2	147.5	171.2	-63.2	-176.6	-177.6	-174.4	-0.9	108	E102 G104 D173 I174	E102-R176 WeakPolarHBondContact CB-O 3.41Å; G104-R176 VanDerWaalsContact CA-O 3.32Å; G104-R176 WeakPolarHBondContact CA-O 3.4Å; G104-R176 PolarHBondContact N-O 2.78Å; D173-R176 PolarHBondContact O-NE 2.85Å; I174-R176 PolarHBondContact O-N 2.83Å
177	R	82.9	Confident	76.2	Confident	121 Å²	121	84.6 Å²	84.6	46%	0.457	47%	0.474	S	S	.	.			trans	-106.5	148.7	170.7	-75.4	-173.2	175.6	-167.7	0.9	109.1	E81 G104 D105 K179	E81-R177 IonicContact OE1-CZ 2.64Å; E81-R177 VanDerWaalsContact OE1-CZ 3.23Å; E81-R177 IonicContact OE1-NH1 2.85Å; E81-R177 PolarHBondContact OE1-NH1 2.79Å; E81-R177 IonicContact OE1-NH2 3.38Å; E81-R177 PolarHBondContact OE1-NH2 3.37Å; G104-R177 WeakPolarHBondContact O-CG 3.29Å; G104-R177 PolarHBondContact O-NE 3.3Å; D105-R177 WeakPolarHBondContact OD1-CA 3.39Å; R177-K179 PolarHBondContact O-N 3.17Å
178	S	82.4	Confident	74.3	Confident	25 Å²	25	90 Å²	90	18%	0.175	51%	0.507	C	S	.	.			trans	-62	122	177	-69.3	0	0	0	0	110.2	D105 T180	D105-S178 PolarHBondContact OD1-N 3.24Å; D105-S178 WeakPolarHBondContact OD2-CB 3.32Å; D105-S178 PolarHBondContact OD2-OG 2.95Å; S178-T180 PolarHBondContact O-N 2.93Å; S178-T180 PolarHBondContact O-OG1 3.09Å; S178-T180 VanDerWaalsContact O-OG1 3.08Å
179	K	76.3	Confident	72.2	Confident	214 Å²	214	93 Å²	93	93%	0.93	52%	0.52	S	S	*	.			trans	-70.9	101.4	169.3	-67.5	-173.8	-178.1	-174.7	0	108.1	R177	R177-K179 PolarHBondContact O-N 3.17Å
180	T	64.1	Low	70.2	Confident	56 Å²	56	95.3 Å²	95.3	34%	0.344	54%	0.536	S	S	.	.			trans	-120.8	151.1	178.3	6.4	0	0	0	0	108.3	R78 S178 N182	R78-T180 VanDerWaalsContact NE-CB 3.32Å; R78-T180 PolarHBondContact NE-OG1 2.75Å; R78-T180 VanDerWaalsContact NH2-CA 3.28Å; R78-T180 PolarHBondContact NH2-O 3.42Å; R78-T180 PolarHBondContact NH2-OG1 2.95Å; S178-T180 PolarHBondContact O-N 2.93Å; S178-T180 PolarHBondContact O-OG1 3.09Å; S178-T180 VanDerWaalsContact O-OG1 3.08Å; T180-N182 PolarHBondContact O-N 2.74Å
181	F	57.5	Low	68.1	Low	131 Å²	131	101.3 Å²	101.3	58%	0.575	56%	0.559	S	S	*	*			trans	-58.3	125.1	-177.6	-180	-103	0	0	0	110.2	R78 P183 L187	R78-F181 PolarHBondContact NH1-O 2.92Å; F181-P183 HydrophobicContact CD1-CG 4.08Å; F181-P183 HydrophobicContact CE1-CB 4.01Å; F181-P183 HydrophobicContact CE1-CG 3.86Å; F181-L187 HydrophobicContact CE2-CD2 4.25Å
182	N	54.3	Low	65.9	Low	88 Å²	88	111 Å²	111	47%	0.471	60%	0.599	S	S	.	*			trans	-101.9	112	166.9	-75.3	-4	0	0	0	106.5	R78 T180 G184 A185	R78-N182 PolarHBondContact NH1-OD1 2.94Å; R78-N182 PolarHBondContact NH2-OD1 2.95Å; T180-N182 PolarHBondContact O-N 2.74Å; N182-G184 PolarHBondContact O-N 2.83Å; N182-A185 HydrophobicContact CB-CB 4.31Å; N182-A185 WeakPolarHBondContact O-CB 3.48Å; N182-A185 PolarHBondContact O-N 3.15Å
183	P	52.3	Low	64.2	Low	112 Å²	112	113.6 Å²	113.6	73%	0.727	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.6	124.7	175	-23.1	32.1	0	0	0	110.2	F181	F181-P183 HydrophobicContact CD1-CG 4.08Å; F181-P183 HydrophobicContact CE1-CB 4.01Å; F181-P183 HydrophobicContact CE1-CG 3.86Å
184	G	53.5	Low	62.8	Low	85 Å²	85	112.9 Å²	112.9	88%	0.876	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	100.4	-13.9	-176.7	0	0	0	0	0	115.5	N182	N182-G184 PolarHBondContact O-N 2.83Å
185	A	53.7	Low	61.9	Low	60 Å²	60	114.2 Å²	114.2	50%	0.496	65%	0.646	S	S	.	*	S	Bend	trans	-76.5	133.1	164.7	0	0	0	0	0	109.2	N182 L187	N182-A185 HydrophobicContact CB-CB 4.31Å; N182-A185 WeakPolarHBondContact O-CB 3.48Å; N182-A185 PolarHBondContact O-N 3.15Å; A185-L187 PolarHBondContact O-N 3.18Å
186	G	48.7	Very low	61.5	Low	72 Å²	72	116.6 Å²	116.6	74%	0.742	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-49	131.5	177	0	0	0	0	0	111.3	P188	G186-P188 WeakPolarHBondContact O-CD 3.4Å
187	L	51.2	Low	61.3	Low	141 Å²	141	112 Å²	112	74%	0.738	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-56.3	125.8	174.8	-79.2	151.2	0	0	0	108.2	F181 A185 T189	F181-L187 HydrophobicContact CE2-CD2 4.25Å; A185-L187 PolarHBondContact O-N 3.18Å; L187-T189 PolarHBondContact O-N 3.37Å
188	P	55	Low	61.5	Low	118 Å²	118	111.8 Å²	111.8	77%	0.766	66%	0.664	S	S	*	*			trans	-60.4	115.2	168.1	-15.6	27.9	0	0	0	107.9	G186	G186-P188 WeakPolarHBondContact O-CD 3.4Å
189	T	49.6	Very low	61.8	Low	119 Å²	119	113 Å²	113	73%	0.73	68%	0.681	S	S	*	*			trans	-66.4	138.1	160.2	51.2	0	0	0	0	107.1	L187	L187-T189 PolarHBondContact O-N 3.37Å
190	D	50.2	Low	62.3	Low	144 Å²	144	103.8 Å²	103.8	77%	0.77	64%	0.642	S	S	*	*			trans	80.9	94.3	171.8	-52.2	-44.6	0	0	0	119.2
191	K	49.1	Very low	63.4	Low	190 Å²	190	103.6 Å²	103.6	83%	0.826	64%	0.641	S	S	*	*				177.9	126.7	87.5	-86.5	-177.4	-176.9	179.7	0	105.4	K193	K191-K193 PolarHBondContact O-N 2.83Å
192	K	48.2	Very low	65	Low	214 Å²	214	101.7 Å²	101.7	93%	0.93	63%	0.634	S	S	*	*			trans	-51.5	105.7	166	-80.8	179.9	178.3	175.3	0	106.6	G194	K192-G194 VanDerWaalsContact C-N 3.31Å; K192-G194 PolarHBondContact O-N 2.78Å
193	K	57	Low	66.7	Low	206 Å²	206	99.1 Å²	99.1	90%	0.896	62%	0.624	S	S	*	*			trans	-65.1	99.3	173.1	-75.4	-176.5	179.2	177.3	0	106	K191	K191-K193 PolarHBondContact O-N 2.83Å
194	G	63.2	Low	68.4	Low	68 Å²	68	95.1 Å²	95.1	70%	0.701	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-56.8	151.3	168.2	0	0	0	0	0	109.4	K192	K192-G194 VanDerWaalsContact C-N 3.31Å; K192-G194 PolarHBondContact O-N 2.78Å
195	G	73.5	Confident	70.2	Confident	67 Å²	67	97 Å²	97	69%	0.691	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-57.6	173.9	171.7	0	0	0	0	0	112.4	S197	G195-S197 PolarHBondContact O-N 2.57Å
196	P	79.6	Confident	72	Confident	72 Å²	72	97.8 Å²	97.8	47%	0.468	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-51.8	141.5	174.8	20	-30	0	0	0	111	D200 V201 I204 I229	P196-D200 HydrophobicContact CB-CB 3.65Å; P196-V201 HydrophobicContact CB-CG2 4.04Å; P196-V201 HydrophobicContact CG-CG2 3.84Å; P196-I204 HydrophobicContact CB-CD1 4.44Å; P196-I229 HydrophobicContact CB-CD1 4.4Å
197	S	85.4	Confident	74	Confident	49 Å²	49	95.3 Å²	95.3	34%	0.343	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-62	160.3	175.5	67.5	0	0	0	0	110.6	G195 G199 D200 V201	G195-S197 PolarHBondContact O-N 2.57Å; S197-G199 PolarHBondContact O-N 2.69Å; S197-G199 VanDerWaalsContact O-N 3.15Å; S197-D200 WeakPolarHBondContact CB-OD2 3.4Å; S197-D200 PolarHBondContact N-OD2 3.07Å; S197-D200 WeakPolarHBondContact O-CA 3.37Å; S197-D200 WeakPolarHBondContact O-CB 3.4Å; S197-D200 PolarHBondContact O-N 3.17Å; S197-D200 PolarHBondContact OG-N 2.62Å; S197-D200 PolarHBondContact OG-OD2 3.04Å; S197-V201 WeakPolarHBondContact O-CG2 3.49Å; S197-V201 PolarHBondContact O-N 2.91Å
198	P	87.5	Confident	75.8	Confident	117 Å²	117	92.8 Å²	92.8	76%	0.76	54%	0.535	S	S	*	.	H	α-helix	trans	-52.3	-38.1	176.4	-28.1	35.5	0	0	0	113.3	V201 E202	P198-V201 PolarHBondContact O-N 3.49Å; P198-E202 PolarHBondContact O-N 3.12Å
199	G	87.7	Confident	77.5	Confident	51 Å²	51	91 Å²	91	53%	0.526	53%	0.53	S	S	.	.	H	α-helix	trans	-68	-36.6	174.4	0	0	0	0	0	113.5	S197 E202 A203	S197-G199 PolarHBondContact O-N 2.69Å; S197-G199 VanDerWaalsContact O-N 3.15Å; G199-E202 PolarHBondContact O-N 2.77Å; G199-A203 WeakPolarHBondContact O-CB 3.46Å; G199-A203 PolarHBondContact O-N 2.9Å
200	D	86.8	Confident	79.6	Confident	19 Å²	19	91.7 Å²	91.7	10%	0.102	53%	0.53	C	S	.	.	H	α-helix	trans	-66.1	-41.7	173.1	-63.4	-47.2	0	0	0	110.8	P196 S197 E202 A203 I204 I229 R232	P196-D200 HydrophobicContact CB-CB 3.65Å; S197-D200 WeakPolarHBondContact CB-OD2 3.4Å; S197-D200 PolarHBondContact N-OD2 3.07Å; S197-D200 WeakPolarHBondContact O-CA 3.37Å; S197-D200 WeakPolarHBondContact O-CB 3.4Å; S197-D200 PolarHBondContact O-N 3.17Å; S197-D200 PolarHBondContact OG-N 2.62Å; S197-D200 PolarHBondContact OG-OD2 3.04Å; D200-E202 VanDerWaalsContact C-N 3.29Å; D200-E202 PolarHBondContact O-N 3.06Å; D200-A203 PolarHBondContact O-N 3.27Å; D200-I204 WeakPolarHBondContact O-CD1 3.4Å; D200-I204 WeakPolarHBondContact O-CG1 3.29Å; D200-I204 PolarHBondContact O-N 2.82Å; D200-I229 HydrophobicContact CB-CD1 4.01Å; D200-I229 HydrophobicContact CB-CG1 4.02Å; D200-I229 HydrophobicContact CB-CG2 3.91Å; D200-R232 VanDerWaalsContact CG-NH1 3.32Å; D200-R232 WeakPolarHBondContact OD1-CD 3.3Å; D200-R232 IonicContact OD1-CZ 2.7Å; D200-R232 IonicContact OD1-NE 2.82Å; D200-R232 IonicContact OD1-NH1 3.23Å; D200-R232 PolarHBondContact OD1-NH1 3.22Å; D200-R232 IonicContact OD2-NH1 2.67Å; D200-R232 PolarHBondContact OD2-NH1 3.14Å; D200-R232 VanDerWaalsContact OD2-NH1 3.14Å
201	V	87.5	Confident	81.5	Confident	53 Å²	53	85.9 Å²	85.9	32%	0.321	50%	0.502	S	S	.	.	H	α-helix	trans	-59.9	-42.3	175.5	174.7	0	0	0	0	110.7	P196 S197 P198 I204 K205	P196-V201 HydrophobicContact CB-CG2 4.04Å; P196-V201 HydrophobicContact CG-CG2 3.84Å; S197-V201 WeakPolarHBondContact O-CG2 3.49Å; S197-V201 PolarHBondContact O-N 2.91Å; P198-V201 PolarHBondContact O-N 3.49Å; V201-I204 PolarHBondContact O-N 3.17Å; V201-K205 HydrophobicContact CG1-CD 4.32Å; V201-K205 WeakPolarHBondContact O-CG 3.43Å; V201-K205 PolarHBondContact O-N 2.97Å
202	E	90.1	Very high	83.6	Confident	91 Å²	91	82.3 Å²	82.3	43%	0.425	50%	0.501	S	S	.	.	H	α-helix	trans	-67.4	-41.5	177.8	-167	57.1	-154.4	0	0	112.2	P198 G199 D200 I204 K205 N206	P198-E202 PolarHBondContact O-N 3.12Å; G199-E202 PolarHBondContact O-N 2.77Å; D200-E202 VanDerWaalsContact C-N 3.29Å; D200-E202 PolarHBondContact O-N 3.06Å; E202-I204 VanDerWaalsContact C-N 3.32Å; E202-I204 PolarHBondContact O-N 3.11Å; E202-K205 PolarHBondContact O-N 3.06Å; E202-N206 WeakPolarHBondContact O-CB 3.38Å; E202-N206 PolarHBondContact O-N 3.11Å; E202-N206 PolarHBondContact O-ND2 2.8Å
203	A	90.4	Very high	85.7	Confident	33 Å²	33	75.7 Å²	75.7	27%	0.273	48%	0.478	S	S	.	.	H	α-helix	trans	-61.3	-40.3	173.7	0	0	0	0	0	112.1	G199 D200 A207 I229	G199-A203 WeakPolarHBondContact O-CB 3.46Å; G199-A203 PolarHBondContact O-N 2.9Å; D200-A203 PolarHBondContact O-N 3.27Å; A203-A207 VanDerWaalsContact O-CB 3.31Å; A203-A207 WeakPolarHBondContact O-CB 3.37Å; A203-A207 PolarHBondContact O-N 3.4Å; A203-I229 HydrophobicContact CB-CG2 4.07Å
204	I	88.4	Confident	87.2	Confident	29 Å²	29	72 Å²	72	15%	0.149	47%	0.467	C	S	.	.	H	α-helix	trans	-62.6	-48.6	174.2	-65.8	165.6	0	0	0	110.6	P196 D200 V201 E202 N206 A207 I208 L224 I229	P196-I204 HydrophobicContact CB-CD1 4.44Å; D200-I204 WeakPolarHBondContact O-CD1 3.4Å; D200-I204 WeakPolarHBondContact O-CG1 3.29Å; D200-I204 PolarHBondContact O-N 2.82Å; V201-I204 PolarHBondContact O-N 3.17Å; E202-I204 VanDerWaalsContact C-N 3.32Å; E202-I204 PolarHBondContact O-N 3.11Å; I204-N206 PolarHBondContact O-N 3.42Å; I204-A207 PolarHBondContact O-N 2.95Å; I204-I208 HydrophobicContact CG2-CD1 3.67Å; I204-I208 HydrophobicContact CG2-CG1 4.38Å; I204-I208 VanDerWaalsContact O-CG1 3.3Å; I204-I208 WeakPolarHBondContact O-CG1 3.3Å; I204-I208 PolarHBondContact O-N 3.2Å; I204-L224 HydrophobicContact CD1-CD2 3.75Å; I204-L224 HydrophobicContact CG1-CD2 3.62Å; I204-L224 HydrophobicContact CG2-CD1 3.86Å; I204-L224 HydrophobicContact CG2-CD2 4.19Å; I204-I229 HydrophobicContact CD1-CD1 3.75Å; I204-I229 HydrophobicContact CG1-CD1 4.25Å; I204-I229 HydrophobicContact CG1-CG2 4.28Å
205	K	90.8	Very high	88.3	Confident	123 Å²	123	72 Å²	72	54%	0.535	46%	0.461	S	S	.	.	H	α-helix	trans	-59.4	-46.9	178.9	-76.2	175.7	179.6	178.4	0	111.7	V201 E202 A207 I208 A209	V201-K205 HydrophobicContact CG1-CD 4.32Å; V201-K205 WeakPolarHBondContact O-CG 3.43Å; V201-K205 PolarHBondContact O-N 2.97Å; E202-K205 PolarHBondContact O-N 3.06Å; K205-A207 PolarHBondContact O-N 3.02Å; K205-I208 PolarHBondContact O-N 3.12Å; K205-A209 WeakPolarHBondContact O-CB 3.39Å; K205-A209 PolarHBondContact O-N 2.83Å
206	N	91.7	Very high	88.9	Confident	77 Å²	77	71.5 Å²	71.5	41%	0.412	44%	0.441	S	S	.	.	H	α-helix	trans	-63.7	-40.6	178.5	-73.6	-30.3	0	0	0	112	E202 I204 A209 N210	E202-N206 WeakPolarHBondContact O-CB 3.38Å; E202-N206 PolarHBondContact O-N 3.11Å; E202-N206 PolarHBondContact O-ND2 2.8Å; I204-N206 PolarHBondContact O-N 3.42Å; N206-A209 PolarHBondContact O-N 3.12Å; N206-N210 WeakPolarHBondContact O-CB 3.42Å; N206-N210 VanDerWaalsContact O-CG 3.27Å; N206-N210 PolarHBondContact O-N 2.99Å; N206-N210 PolarHBondContact O-ND2 2.89Å
207	A	90.9	Very high	89.4	Confident	20 Å²	20	71.2 Å²	71.2	17%	0.165	44%	0.438	C	S	.	.	H	α-helix	trans	-64	-42.4	175.6	0	0	0	0	0	112.1	A203 I204 K205 N210 A211 L220 P230	A203-A207 VanDerWaalsContact O-CB 3.31Å; A203-A207 WeakPolarHBondContact O-CB 3.37Å; A203-A207 PolarHBondContact O-N 3.4Å; I204-A207 PolarHBondContact O-N 2.95Å; K205-A207 PolarHBondContact O-N 3.02Å; A207-N210 PolarHBondContact O-N 2.79Å; A207-A211 PolarHBondContact O-N 3.37Å; A207-L220 HydrophobicContact CB-CD1 4.2Å; A207-L220 HydrophobicContact CB-CD2 3.77Å; A207-L220 VanDerWaalsContact O-CD1 3.3Å; A207-L220 WeakPolarHBondContact O-CD1 3.49Å; A207-P230 HydrophobicContact CB-CB 3.53Å; A207-P230 HydrophobicContact CB-CG 3.75Å
208	I	89.7	Confident	89.4	Confident	89 Å²	89	73 Å²	73	46%	0.456	44%	0.441	S	S	.	.	H	α-helix	trans	-66.3	-42.8	176.6	-66.4	169	0	0	0	111	I204 K205 N210 A211 L220	I204-I208 HydrophobicContact CG2-CD1 3.67Å; I204-I208 HydrophobicContact CG2-CG1 4.38Å; I204-I208 VanDerWaalsContact O-CG1 3.3Å; I204-I208 WeakPolarHBondContact O-CG1 3.3Å; I204-I208 PolarHBondContact O-N 3.2Å; K205-I208 PolarHBondContact O-N 3.12Å; I208-N210 VanDerWaalsContact C-N 3.3Å; I208-N210 PolarHBondContact O-N 3.29Å; I208-A211 WeakPolarHBondContact O-CB 3.37Å; I208-A211 PolarHBondContact O-N 3.4Å; I208-L220 HydrophobicContact CG1-CD1 4.27Å
209	A	91.2	Very high	89.4	Confident	80 Å²	80	72.3 Å²	72.3	66%	0.661	42%	0.423	S	S	*	.	H	α-helix	trans	-64.6	-33	179.5	0	0	0	0	0	112.9	K205 N206	K205-A209 WeakPolarHBondContact O-CB 3.39Å; K205-A209 PolarHBondContact O-N 2.83Å; N206-A209 PolarHBondContact O-N 3.12Å
210	N	91.8	Very high	89.4	Confident	134 Å²	134	70.1 Å²	70.1	72%	0.717	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-7.4	177.9	-69.7	-33.8	0	0	0	113.7	N206 A207 I208 S212	N206-N210 WeakPolarHBondContact O-CB 3.42Å; N206-N210 VanDerWaalsContact O-CG 3.27Å; N206-N210 PolarHBondContact O-N 2.99Å; N206-N210 PolarHBondContact O-ND2 2.89Å; A207-N210 PolarHBondContact O-N 2.79Å; I208-N210 VanDerWaalsContact C-N 3.3Å; I208-N210 PolarHBondContact O-N 3.29Å; N210-S212 PolarHBondContact O-N 3.22Å
211	A	90.9	Very high	89.4	Confident	22 Å²	22	75.5 Å²	75.5	18%	0.182	42%	0.422	C	S	.	.			trans	-72.8	109.9	179.7	0	0	0	0	0	110.7	A207 I208 E216 V217 L220	A207-A211 PolarHBondContact O-N 3.37Å; I208-A211 WeakPolarHBondContact O-CB 3.37Å; I208-A211 PolarHBondContact O-N 3.4Å; A211-E216 HydrophobicContact CB-CB 4.11Å; A211-E216 HydrophobicContact CB-CG 3.72Å; A211-V217 HydrophobicContact CB-CG2 3.83Å; A211-L220 HydrophobicContact CB-CD1 3.96Å
212	S	92.8	Very high	89.3	Confident	115 Å²	115	73.5 Å²	73.5	80%	0.804	41%	0.411	S	S	*	.			trans	-92.7	-6.3	-177.5	58.7	0	0	0	0	114.5	N210	N210-S212 PolarHBondContact O-N 3.22Å
213	T	93.1	Very high	89	Confident	74 Å²	74	70.1 Å²	70.1	45%	0.454	40%	0.396	S	S	.	.	S	Bend	trans	-135.3	152.2	-177.5	70	0	0	0	0	111.5	A215 E216 V217	T213-A215 PolarHBondContact O-N 3.16Å; T213-E216 PolarHBondContact O-N 2.93Å; T213-E216 VanDerWaalsContact O-N 3.11Å; T213-E216 WeakPolarHBondContact OG1-CB 3.34Å; T213-E216 PolarHBondContact OG1-N 3.29Å; T213-V217 PolarHBondContact O-N 3.1Å
214	L	88.7	Confident	88.9	Confident	128 Å²	128	71.3 Å²	71.3	67%	0.67	40%	0.397	S	S	*	.	H	α-helix	trans	-60	-36.3	175.5	-176.1	64.9	0	0	0	112	E216 V217 E218	L214-E216 VanDerWaalsContact C-N 3.28Å; L214-E216 PolarHBondContact O-N 2.97Å; L214-V217 PolarHBondContact O-N 3.45Å; L214-E218 WeakPolarHBondContact O-CG 3.48Å; L214-E218 PolarHBondContact O-N 3.06Å
215	A	85.9	Confident	88.5	Confident	69 Å²	69	75.8 Å²	75.8	57%	0.57	42%	0.418	S	S	*	.	H	α-helix	trans	-60.6	-38.4	176.1	0	0	0	0	0	111.9	T213 E218 R219	T213-A215 PolarHBondContact O-N 3.16Å; A215-E218 PolarHBondContact O-N 2.95Å; A215-R219 WeakPolarHBondContact O-CB 3.34Å; A215-R219 PolarHBondContact O-N 3.14Å
216	E	87.1	Confident	87.8	Confident	56 Å²	56	71.3 Å²	71.3	26%	0.262	40%	0.402	S	S	.	.	H	α-helix	trans	-69.7	-38.7	176.6	-174	58.8	-166.8	0	0	111.9	A211 T213 L214 R219 L220	A211-E216 HydrophobicContact CB-CB 4.11Å; A211-E216 HydrophobicContact CB-CG 3.72Å; T213-E216 PolarHBondContact O-N 2.93Å; T213-E216 VanDerWaalsContact O-N 3.11Å; T213-E216 WeakPolarHBondContact OG1-CB 3.34Å; T213-E216 PolarHBondContact OG1-N 3.29Å; L214-E216 VanDerWaalsContact C-N 3.28Å; L214-E216 PolarHBondContact O-N 2.97Å; E216-R219 VanDerWaalsContact CD-NE 3.35Å; E216-R219 WeakPolarHBondContact O-CB 3.44Å; E216-R219 PolarHBondContact O-N 3.43Å; E216-R219 IonicContact OE1-CZ 3.75Å; E216-R219 IonicContact OE1-NE 3.38Å; E216-R219 PolarHBondContact OE1-NE 3.46Å; E216-R219 VanDerWaalsContact OE1-NE 3.16Å; E216-R219 IonicContact OE1-NH2 3.29Å; E216-R219 PolarHBondContact OE1-NH2 3.3Å; E216-R219 IonicContact OE2-CZ 3.66Å; E216-R219 IonicContact OE2-NE 3.14Å; E216-R219 PolarHBondContact OE2-NE 3.26Å; E216-R219 IonicContact OE2-NH2 2.73Å; E216-L220 WeakPolarHBondContact O-CG 3.28Å; E216-L220 PolarHBondContact O-N 2.99Å
217	V	89.2	Confident	87.4	Confident	67 Å²	67	70.4 Å²	70.4	41%	0.406	41%	0.411	S	S	.	.	H	α-helix	trans	-63.4	-43.6	174.2	177.5	0	0	0	0	111.4	A211 T213 L214 R219 L220 K221	A211-V217 HydrophobicContact CB-CG2 3.83Å; T213-V217 PolarHBondContact O-N 3.1Å; L214-V217 PolarHBondContact O-N 3.45Å; V217-R219 VanDerWaalsContact C-N 3.33Å; V217-R219 PolarHBondContact O-N 2.94Å; V217-L220 PolarHBondContact O-N 3.5Å; V217-K221 WeakPolarHBondContact O-CB 3.46Å; V217-K221 PolarHBondContact O-N 3.15Å
218	E	85.6	Confident	87	Confident	86 Å²	86	73.6 Å²	73.6	40%	0.402	42%	0.422	S	S	.	.	H	α-helix	trans	-62.4	-40.7	174.8	-73.6	-175.8	175.7	0	0	111.6	R122 L214 A215 K221 G222	R122-E218 IonicContact NE-OE2 3.17Å; L214-E218 WeakPolarHBondContact O-CG 3.48Å; L214-E218 PolarHBondContact O-N 3.06Å; A215-E218 PolarHBondContact O-N 2.95Å; E218-K221 PolarHBondContact O-N 3.19Å; E218-G222 PolarHBondContact O-N 2.87Å
219	R	86.9	Confident	86.7	Confident	103 Å²	103	71.1 Å²	71.1	39%	0.389	41%	0.409	S	S	.	.	H	α-helix	trans	-60.4	-47.7	175.2	-168.8	-173	77.6	94.6	1	111.5	A215 E216 V217 G222 L223	A215-R219 WeakPolarHBondContact O-CB 3.34Å; A215-R219 PolarHBondContact O-N 3.14Å; E216-R219 VanDerWaalsContact CD-NE 3.35Å; E216-R219 WeakPolarHBondContact O-CB 3.44Å; E216-R219 PolarHBondContact O-N 3.43Å; E216-R219 IonicContact OE1-CZ 3.75Å; E216-R219 IonicContact OE1-NE 3.38Å; E216-R219 PolarHBondContact OE1-NE 3.46Å; E216-R219 VanDerWaalsContact OE1-NE 3.16Å; E216-R219 IonicContact OE1-NH2 3.29Å; E216-R219 PolarHBondContact OE1-NH2 3.3Å; E216-R219 IonicContact OE2-CZ 3.66Å; E216-R219 IonicContact OE2-NE 3.14Å; E216-R219 PolarHBondContact OE2-NE 3.26Å; E216-R219 IonicContact OE2-NH2 2.73Å; V217-R219 VanDerWaalsContact C-N 3.33Å; V217-R219 PolarHBondContact O-N 2.94Å; R219-G222 PolarHBondContact O-N 2.81Å; R219-L223 WeakPolarHBondContact O-CB 3.32Å; R219-L223 PolarHBondContact O-N 3.26Å
220	L	88.9	Confident	86.3	Confident	4 Å²	4	68.2 Å²	68.2	2%	0.021	38%	0.384	C	S	.	.	H	α-helix	trans	-61.8	-45.4	177	-71.5	171.1	0	0	0	111.4	A207 I208 A211 E216 V217 G222 L223 L224 P230	A207-L220 HydrophobicContact CB-CD1 4.2Å; A207-L220 HydrophobicContact CB-CD2 3.77Å; A207-L220 VanDerWaalsContact O-CD1 3.3Å; A207-L220 WeakPolarHBondContact O-CD1 3.49Å; I208-L220 HydrophobicContact CG1-CD1 4.27Å; A211-L220 HydrophobicContact CB-CD1 3.96Å; E216-L220 WeakPolarHBondContact O-CG 3.28Å; E216-L220 PolarHBondContact O-N 2.99Å; V217-L220 PolarHBondContact O-N 3.5Å; L220-G222 VanDerWaalsContact C-N 3.34Å; L220-G222 PolarHBondContact O-N 2.81Å; L220-L223 WeakPolarHBondContact O-CB 3.14Å; L220-L223 PolarHBondContact O-N 3.47Å; L220-L223 VanDerWaalsContact O-N 3.15Å; L220-L224 VanDerWaalsContact O-CG 3.28Å; L220-L224 WeakPolarHBondContact O-CG 3.43Å; L220-L224 PolarHBondContact O-N 3.49Å; L220-P230 HydrophobicContact CD2-CB 4.18Å; L220-P230 HydrophobicContact CD2-CG 3.7Å
221	K	86.9	Confident	85.7	Confident	133 Å²	133	66.1 Å²	66.1	58%	0.578	39%	0.394	S	S	*	.	H	α-helix	trans	-56.4	-47.1	175.2	-176.6	-176.2	176.3	-174.7	0	111.6	V217 E218 L223 L224 Q225	V217-K221 WeakPolarHBondContact O-CB 3.46Å; V217-K221 PolarHBondContact O-N 3.15Å; E218-K221 PolarHBondContact O-N 3.19Å; K221-L223 VanDerWaalsContact C-N 3.34Å; K221-L223 PolarHBondContact O-N 3.08Å; K221-L224 PolarHBondContact O-N 2.75Å; K221-Q225 WeakPolarHBondContact O-CB 3.35Å; K221-Q225 VanDerWaalsContact O-CG 3.32Å; K221-Q225 WeakPolarHBondContact O-CG 3.46Å; K221-Q225 PolarHBondContact O-N 3.04Å
222	G	84.1	Confident	84.7	Confident	10 Å²	10	72.9 Å²	72.9	10%	0.103	42%	0.415	C	S	.	.	H	α-helix	trans	-62.8	-39	176.6	0	0	0	0	0	113	E218 R219 L220 Q225 S226	E218-G222 PolarHBondContact O-N 2.87Å; R219-G222 PolarHBondContact O-N 2.81Å; L220-G222 VanDerWaalsContact C-N 3.34Å; L220-G222 PolarHBondContact O-N 2.81Å; G222-Q225 PolarHBondContact O-N 3.1Å; G222-S226 PolarHBondContact O-N 2.97Å; G222-S226 VanDerWaalsContact O-N 3.14Å
223	L	84.9	Confident	83.1	Confident	21 Å²	21	76.3 Å²	76.3	11%	0.11	42%	0.418	C	S	.	.	H	α-helix	trans	-63.9	-45	176.7	-165.7	139.2	0	0	0	111.5	R219 L220 K221 S226 G227 Q228 P230	R219-L223 WeakPolarHBondContact O-CB 3.32Å; R219-L223 PolarHBondContact O-N 3.26Å; L220-L223 WeakPolarHBondContact O-CB 3.14Å; L220-L223 PolarHBondContact O-N 3.47Å; L220-L223 VanDerWaalsContact O-N 3.15Å; K221-L223 VanDerWaalsContact C-N 3.34Å; K221-L223 PolarHBondContact O-N 3.08Å; L223-S226 PolarHBondContact O-N 3.16Å; L223-S226 PolarHBondContact O-OG 3.08Å; L223-G227 PolarHBondContact O-N 3.39Å; L223-Q228 HydrophobicContact CD2-CB 3.63Å; L223-Q228 VanDerWaalsContact CD2-O 3.28Å; L223-Q228 WeakPolarHBondContact CD2-O 3.33Å; L223-Q228 HydrophobicContact CG-CB 3.82Å; L223-Q228 PolarHBondContact O-N 2.63Å; L223-Q228 VanDerWaalsContact O-N 3.16Å; L223-P230 HydrophobicContact CD2-CG 3.93Å
224	L	86.9	Confident	81.1	Confident	57 Å²	57	83.8 Å²	83.8	30%	0.298	44%	0.438	S	S	.	.	H	α-helix	trans	-66	-39	176.4	-61.9	174.3	0	0	0	112.7	I204 L220 K221 S226 G227 P230	I204-L224 HydrophobicContact CD1-CD2 3.75Å; I204-L224 HydrophobicContact CG1-CD2 3.62Å; I204-L224 HydrophobicContact CG2-CD1 3.86Å; I204-L224 HydrophobicContact CG2-CD2 4.19Å; L220-L224 VanDerWaalsContact O-CG 3.28Å; L220-L224 WeakPolarHBondContact O-CG 3.43Å; L220-L224 PolarHBondContact O-N 3.49Å; K221-L224 PolarHBondContact O-N 2.75Å; L224-S226 PolarHBondContact O-N 3.38Å; L224-G227 PolarHBondContact O-N 3.27Å; L224-P230 HydrophobicContact CD2-CG 4.46Å
225	Q	80.5	Confident	78.8	Confident	124 Å²	124	89.5 Å²	89.5	58%	0.579	45%	0.451	S	S	*	.	H	α-helix	trans	-62.8	-30.5	175.1	-76.5	177.8	-24.7	0	0	112.6	K221 G222 G227	K221-Q225 WeakPolarHBondContact O-CB 3.35Å; K221-Q225 VanDerWaalsContact O-CG 3.32Å; K221-Q225 WeakPolarHBondContact O-CG 3.46Å; K221-Q225 PolarHBondContact O-N 3.04Å; G222-Q225 PolarHBondContact O-N 3.1Å; Q225-G227 PolarHBondContact O-N 3.16Å
226	S	76.8	Confident	76.6	Confident	29 Å²	29	90.3 Å²	90.3	20%	0.203	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-3	172.4	76.1	0	0	0	0	114.3	G222 L223 L224 Q228	G222-S226 PolarHBondContact O-N 2.97Å; G222-S226 VanDerWaalsContact O-N 3.14Å; L223-S226 PolarHBondContact O-N 3.16Å; L223-S226 PolarHBondContact O-OG 3.08Å; L224-S226 PolarHBondContact O-N 3.38Å; S226-Q228 WeakPolarHBondContact OG-CG 3.37Å
227	G	81.8	Confident	74	Confident	58 Å²	58	90.3 Å²	90.3	60%	0.598	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	19.5	-176.9	0	0	0	0	0	114.2	L223 L224 Q225	L223-G227 PolarHBondContact O-N 3.39Å; L224-G227 PolarHBondContact O-N 3.27Å; Q225-G227 PolarHBondContact O-N 3.16Å
228	Q	82.5	Confident	71.7	Confident	86 Å²	86	93.5 Å²	93.5	40%	0.402	49%	0.49	S	S	.	.			trans	-94.6	146.9	173.5	-66.3	177.6	31.2	0	0	110	L223 S226	L223-Q228 HydrophobicContact CD2-CB 3.63Å; L223-Q228 VanDerWaalsContact CD2-O 3.28Å; L223-Q228 WeakPolarHBondContact CD2-O 3.33Å; L223-Q228 HydrophobicContact CG-CB 3.82Å; L223-Q228 PolarHBondContact O-N 2.63Å; L223-Q228 VanDerWaalsContact O-N 3.16Å; S226-Q228 WeakPolarHBondContact OG-CG 3.37Å
229	I	85.3	Confident	69.4	Low	37 Å²	37	95.4 Å²	95.4	19%	0.19	51%	0.507	C	S	.	.			trans	-107.1	126.4	177	-56.1	-61.5	0	0	0	107.8	P196 D200 A203 I204 G231 R232	P196-I229 HydrophobicContact CB-CD1 4.4Å; D200-I229 HydrophobicContact CB-CD1 4.01Å; D200-I229 HydrophobicContact CB-CG1 4.02Å; D200-I229 HydrophobicContact CB-CG2 3.91Å; A203-I229 HydrophobicContact CB-CG2 4.07Å; I204-I229 HydrophobicContact CD1-CD1 3.75Å; I204-I229 HydrophobicContact CG1-CD1 4.25Å; I204-I229 HydrophobicContact CG1-CG2 4.28Å; I229-G231 PolarHBondContact O-N 3.18Å; I229-R232 HydrophobicContact CB-CB 4.3Å; I229-R232 PolarHBondContact O-N 3.07Å
230	P	82.8	Confident	67.1	Low	20 Å²	20	97.9 Å²	97.9	13%	0.13	53%	0.528	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	132.9	175.9	-24	31.5	0	0	0	111.5	A207 L220 L223 L224 R232	A207-P230 HydrophobicContact CB-CB 3.53Å; A207-P230 HydrophobicContact CB-CG 3.75Å; L220-P230 HydrophobicContact CD2-CB 4.18Å; L220-P230 HydrophobicContact CD2-CG 3.7Å; L223-P230 HydrophobicContact CD2-CG 3.93Å; L224-P230 HydrophobicContact CD2-CG 4.46Å; P230-R232 VanDerWaalsContact C-N 3.33Å; P230-R232 PolarHBondContact O-N 3.2Å
231	G	78	Confident	64.6	Low	90 Å²	90	105.1 Å²	105.1	93%	0.928	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	84.3	-8.6	178.6	0	0	0	0	0	116.1	I229	I229-G231 PolarHBondContact O-N 3.18Å
232	R	71.3	Confident	62.2	Low	163 Å²	163	101.9 Å²	101.9	62%	0.615	57%	0.571	S	S	*	*			trans	-103.9	94.9	178.6	-148.3	173.3	-173.6	-178.7	1.2	110.7	D200 I229 P230 R234	D200-R232 VanDerWaalsContact CG-NH1 3.32Å; D200-R232 WeakPolarHBondContact OD1-CD 3.3Å; D200-R232 IonicContact OD1-CZ 2.7Å; D200-R232 IonicContact OD1-NE 2.82Å; D200-R232 IonicContact OD1-NH1 3.23Å; D200-R232 PolarHBondContact OD1-NH1 3.22Å; D200-R232 IonicContact OD2-NH1 2.67Å; D200-R232 PolarHBondContact OD2-NH1 3.14Å; D200-R232 VanDerWaalsContact OD2-NH1 3.14Å; I229-R232 HydrophobicContact CB-CB 4.3Å; I229-R232 PolarHBondContact O-N 3.07Å; P230-R232 VanDerWaalsContact C-N 3.33Å; P230-R232 PolarHBondContact O-N 3.2Å; R232-R234 PolarHBondContact O-N 3.44Å
233	E	57.3	Low	60	Low	187 Å²	187	110.6 Å²	110.6	87%	0.874	61%	0.609	S	S	*	*			trans	-69.7	112.7	167.1	-68.7	-168.5	164.3	0	0	109	R235	E233-R235 PolarHBondContact O-N 2.9Å
234	R	52.3	Low	57.9	Low	232 Å²	232	119 Å²	119	88%	0.875	65%	0.648	S	S	*	*			trans	-65.8	102.8	173.9	-117	-177.9	-179.9	173.2	1.6	108.7	R232 S236	R232-R234 PolarHBondContact O-N 3.44Å; R234-S236 VanDerWaalsContact C-N 3.33Å; R234-S236 PolarHBondContact O-N 2.9Å
235	R	39.3	Very low	55.6	Low	247 Å²	247	125.4 Å²	125.4	93%	0.932	68%	0.676	S	S	*	*			trans	-62.7	97.6	156.6	-72	-175.8	-179.3	-179.5	0.2	107.1	E233 G237	E233-R235 PolarHBondContact O-N 2.9Å; R235-G237 PolarHBondContact O-N 2.88Å
236	S	39.8	Very low	53.9	Low	86 Å²	86	127.9 Å²	127.9	60%	0.601	69%	0.69	S	S	*	*			trans	-88.9	98.8	171.8	59.5	0	0	0	0	109.4	R234	R234-S236 VanDerWaalsContact C-N 3.33Å; R234-S236 PolarHBondContact O-N 2.9Å
237	G	34	Very low	52.4	Low	57 Å²	57	135.4 Å²	135.4	59%	0.588	72%	0.722	S	S	*	*			trans	-168.9	128.2	163.5	0	0	0	0	0	107.6	R235 T239	R235-G237 PolarHBondContact O-N 2.88Å; G237-T239 PolarHBondContact O-N 3.3Å
238	P	40.9	Very low	50.6	Low	134 Å²	134	141 Å²	141	87%	0.87	73%	0.733	S	S	*	*			trans	-69	127.2	175.2	29.6	-30.1	0	0	0	108.4
239	T	36.8	Very low	48.9	Very low	125 Å²	125	144.7 Å²	144.7	77%	0.767	76%	0.755	S	S	*	*			trans	-74.8	117.3	159.4	41.8	0	0	0	0	106.9	G237	G237-T239 PolarHBondContact O-N 3.3Å
240	D	37.5	Very low	47.1	Very low	156 Å²	156	148.6 Å²	148.6	83%	0.834	78%	0.781	S	S	*	*			trans	-81.6	106.9	168.7	-170	29.5	0	0	0	106.4
241	D	36.8	Very low	45.7	Very low	155 Å²	155	154.5 Å²	154.5	83%	0.829	82%	0.816	S	S	*	*			trans	-112.4	98.5	167.3	-74.4	-43.9	0	0	0	105.8
242	G	37.3	Very low	44.7	Very low	65 Å²	65	156.4 Å²	156.4	67%	0.67	81%	0.81	S	S	*	*			trans	-148.4	93.9	176.2	0	0	0	0	0	108.5
243	E	37.6	Very low	43.5	Very low	193 Å²	193	157 Å²	157	90%	0.902	83%	0.826	S	S	*	*			trans	-60.9	121.6	177.5	-59.2	163.6	161.1	0	0	111
244	E	39.6	Very low	43.4	Very low	198 Å²	198	151.3 Å²	151.3	93%	0.925	82%	0.817	S	S	*	*			trans	-146.2	104.3	150	-72.9	-164.6	166.2	0	0	109.4
245	E	40	Very low	43.3	Very low	191 Å²	191	150 Å²	150	89%	0.893	84%	0.843	S	S	*	*			trans	-68.6	136.3	162.7	-64.3	177.5	150.8	0	0	109.4
246	M	45.1	Very low	43.5	Very low	177 Å²	177	145.2 Å²	145.2	87%	0.872	84%	0.839	S	S	*	*			trans	-166.6	108.4	139	-104	-163.4	-75	0	0	111.3
247	E	44.8	Very low	43.7	Very low	187 Å²	187	148.3 Å²	148.3	87%	0.874	85%	0.851	S	S	*	*			trans	47.4	118.1	142.4	-64.1	-176.5	161.5	0	0	121.4
248	E	43.3	Very low	44.3	Very low	176 Å²	176	153.3 Å²	153.3	82%	0.822	87%	0.866	S	S	*	*			trans	-63.1	141.1	160	-66.7	175.9	136.5	0	0	111.4
249	D	47.7	Very low	44.5	Very low	163 Å²	163	154.5 Å²	154.5	87%	0.872	87%	0.866	S	S	*	*			trans	-146.9	117.8	135.5	-109.5	-23.3	0	0	0	110.5
250	T	47.8	Very low	45	Very low	118 Å²	118	156.3 Å²	156.3	72%	0.724	87%	0.872	S	S	*	*			trans	-70.4	135.4	-179.9	44.4	0	0	0	0	112.1
251	V	53.6	Low	45.4	Very low	145 Å²	145	156.3 Å²	156.3	88%	0.879	87%	0.874	S	S	*	*			trans	-130.8	107.8	152.5	-173.6	0	0	0	0	109
252	T	55	Low	46.1	Very low	130 Å²	130	156.4 Å²	156.4	80%	0.798	88%	0.877	S	S	*	*			trans	-69.8	133.6	170.3	38.5	0	0	0	0	111.4
253	N	47.4	Very low	46.7	Very low	176 Å²	176	163.5 Å²	163.5	94%	0.941	89%	0.893	S	S	*	*			trans	-59.3	140.2	166	-105.2	-13.4	0	0	0	112
254	G	55.4	Low	47.5	Very low	66 Å²	66	161 Å²	161	68%	0.68	89%	0.893	S	S	*	*			trans	-158	100.9	165.6	0	0	0	0	0	110.8
255	S	50.4	Low	48.2	Very low	205 Å²	205	157.6 Å²	157.6	100%	1.434	89%	0.89	S	S	*	*			trans	70.8	0	166.7	-59.9	0	0	0	0	119.3

Retrieved 255 of 255 residues in 950.6 ms (Link to these results)

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