A0A3Q0KDF9_SCHMA Loading...

Enoyl-CoA hydratase domain-containing protein 3, mitochondrial

May play a role in fatty acid biosynthesis and insulin sensitivity.

AlphaFold DB , UniProt , Accession A0A3Q0KDF9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 276 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.2	Very low	35.7	Very low	232 Å²	232	152 Å²	152	100%	1.143	82%	0.818	S	S	*	*				0	102.5	0	-162.5	168.3	170.4	0	0	106.8
2	H	33.3	Very low	36	Very low	192 Å²	192	147.8 Å²	147.8	89%	0.889	79%	0.794	S	S	*	*			trans	-73.7	124.6	-176.1	-76.9	-59.8	0	0	0	110.4
3	L	33.7	Very low	36.1	Very low	153 Å²	153	150.9 Å²	150.9	80%	0.801	80%	0.796	S	S	*	*			trans	-124.3	121.6	149.7	-100.3	94.1	0	0	0	107.3
4	P	35.8	Very low	36.5	Very low	120 Å²	120	146.9 Å²	146.9	78%	0.779	78%	0.775	S	S	*	*			trans	-77.6	125.7	176.3	9.8	3.4	0	0	0	109.9	L6	P4-L6 PolarHBondContact O-N 3.22Å
5	C	33.1	Very low	36.6	Very low	124 Å²	124	139.9 Å²	139.9	84%	0.838	74%	0.742	S	S	*	*			trans	-55.4	117.4	167	-83	0	0	0	0	109.8	L7	C5-L7 PolarHBondContact O-N 3.39Å
6	L	33.9	Very low	37.5	Very low	167 Å²	167	138.3 Å²	138.3	87%	0.874	75%	0.746	S	S	*	*			trans	-54.4	111.1	166.4	-79.7	150.6	0	0	0	108.8	P4 Y8	P4-L6 PolarHBondContact O-N 3.22Å; L6-Y8 PolarHBondContact O-N 3.22Å
7	L	34.3	Very low	38.5	Very low	168 Å²	168	141.8 Å²	141.8	88%	0.88	75%	0.747	S	S	*	*			trans	-52.7	119.2	170.1	-74.6	152.6	0	0	0	109.2	C5 A9	C5-L7 PolarHBondContact O-N 3.39Å; L7-A9 PolarHBondContact O-N 3.46Å
8	Y	34.3	Very low	39.7	Very low	231 Å²	231	136.2 Å²	136.2	91%	0.906	72%	0.716	S	S	*	*			trans	-51	118.9	166.1	-89.5	-103.1	0	0	0	109.1	L6 N10	L6-Y8 PolarHBondContact O-N 3.22Å; Y8-N10 PolarHBondContact O-N 3.11Å; Y8-N10 VanDerWaalsContact O-N 3.16Å
9	A	33.2	Very low	41.3	Very low	91 Å²	91	138.8 Å²	138.8	75%	0.752	72%	0.715	S	S	*	*			trans	-65.9	112.6	176	0	0	0	0	0	109.5	L7	L7-A9 PolarHBondContact O-N 3.46Å
10	N	36.5	Very low	42.4	Very low	103 Å²	103	134.5 Å²	134.5	55%	0.551	69%	0.693	S	S	*	*			trans	-64.6	123.4	167.5	-174.4	-16.9	0	0	0	108.3	Y8 L12 K13	Y8-N10 PolarHBondContact O-N 3.11Å; Y8-N10 VanDerWaalsContact O-N 3.16Å; N10-L12 PolarHBondContact O-N 3.4Å; N10-L12 PolarHBondContact OD1-N 2.96Å; N10-K13 PolarHBondContact O-N 2.98Å
11	P	44.8	Very low	43.3	Very low	91 Å²	91	132.5 Å²	132.5	59%	0.591	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-0.2	-178.6	24.7	-31.3	0	0	0	113.9	K13	P11-K13 VanDerWaalsContact C-N 3.28Å; P11-K13 PolarHBondContact O-N 3.48Å
12	L	40.1	Very low	44.3	Very low	101 Å²	101	127.1 Å²	127.1	53%	0.529	65%	0.651	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.5	16.4	170.6	-70.2	166.6	0	0	0	114.6	N10 L14 L20	N10-L12 PolarHBondContact O-N 3.4Å; N10-L12 PolarHBondContact OD1-N 2.96Å; L12-L14 PolarHBondContact O-N 3.11Å; L12-L20 HydrophobicContact CD2-CD2 4.34Å
13	K	37.1	Very low	45.6	Very low	189 Å²	189	121.4 Å²	121.4	82%	0.822	63%	0.63	S	S	*	*			trans	-69.1	83.8	160.9	-89.1	-171.4	176.1	-178.1	0	108.7	N10 P11 C15	N10-K13 PolarHBondContact O-N 2.98Å; P11-K13 VanDerWaalsContact C-N 3.28Å; P11-K13 PolarHBondContact O-N 3.48Å; K13-C15 PolarHBondContact O-N 3.32Å; K13-C15 VanDerWaalsContact O-N 3.15Å
14	L	41.5	Very low	47.1	Very low	94 Å²	94	120.2 Å²	120.2	49%	0.492	61%	0.614	S	S	.	*			trans	-49.8	115.2	177.5	-73.5	129.8	0	0	0	110.1	L12 S16 L20	L12-L14 PolarHBondContact O-N 3.11Å; L14-S16 PolarHBondContact O-N 2.95Å; L14-L20 HydrophobicContact CD2-CB 4.09Å
15	C	38.7	Very low	48.5	Very low	42 Å²	42	120.1 Å²	120.1	28%	0.284	60%	0.603	S	S	.	*			trans	-52.3	123.5	152.7	-164.9	0	0	0	0	106.3	K13 Y17 F18 E212	K13-C15 PolarHBondContact O-N 3.32Å; K13-C15 VanDerWaalsContact O-N 3.15Å; C15-Y17 PolarHBondContact O-N 3.25Å; C15-F18 PolarHBondContact O-N 3.39Å; C15-E212 PolarHBondContact SG-OE1 3.46Å
16	S	50.6	Low	50.9	Low	115 Å²	115	116.4 Å²	116.4	80%	0.804	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	1.6	-168.9	53.9	0	0	0	0	115.1	L14	L14-S16 PolarHBondContact O-N 2.95Å
17	Y	53.9	Low	53.6	Low	197 Å²	197	112.5 Å²	112.5	77%	0.773	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-19.8	-174.2	-91.4	-89.6	0	0	0	115.3	C15	C15-Y17 PolarHBondContact O-N 3.25Å
18	F	59.9	Low	56.5	Low	41 Å²	41	108 Å²	108	18%	0.18	53%	0.533	C	S	.	.			trans	-115	133.8	-172.8	-56.7	-70.7	0	0	0	112.8	C15 I34 I215 K219	C15-F18 PolarHBondContact O-N 3.39Å; F18-I34 HydrophobicContact CB-CD1 4.25Å; F18-I34 HydrophobicContact CB-CG2 3.97Å; F18-I34 HydrophobicContact CD1-CG2 3.97Å; F18-I34 HydrophobicContact CG-CG2 4.25Å; F18-I215 HydrophobicContact CD1-CG2 3.99Å; F18-I215 HydrophobicContact CE1-CG2 3.64Å; F18-I215 HydrophobicContact CE2-CG2 4.35Å; F18-I215 HydrophobicContact CG-CG2 4.49Å; F18-I215 HydrophobicContact CZ-CB 4.41Å; F18-I215 HydrophobicContact CZ-CG2 3.84Å; F18-K219 HydrophobicContact CE1-CD 4.1Å; F18-K219 VanDerWaalsContact CE1-NZ 3.31Å
19	R	69.8	Low	59.5	Low	186 Å²	186	97 Å²	97	70%	0.702	49%	0.49	S	S	*	.			trans	-90.2	110.3	175.3	-72.4	-173.3	178.9	-152	0.9	110.7	H21 D35	R19-H21 WeakPolarHBondContact CB-CE1 3.39Å; R19-H21 PolarHBondContact O-ND1 3.41Å; R19-D35 PolarHBondContact O-N 3.4Å
20	L	64.1	Low	62.5	Low	53 Å²	53	95.1 Å²	95.1	28%	0.277	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	118.8	171.1	-169.1	76.8	0	0	0	109.5	L12 L14 V23 A32 I34	L12-L20 HydrophobicContact CD2-CD2 4.34Å; L14-L20 HydrophobicContact CD2-CB 4.09Å; L20-V23 HydrophobicContact CD2-CG2 3.87Å; L20-V23 HydrophobicContact CG-CG2 4.44Å; L20-A32 HydrophobicContact CD1-CB 3.64Å; L20-I34 HydrophobicContact CD1-CD1 3.8Å
21	H	62.3	Low	65.3	Low	92 Å²	92	90.6 Å²	90.6	43%	0.426	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-21.5	-172.1	-72.2	87.1	0	0	0	115	R19 T33 N36	R19-H21 WeakPolarHBondContact CB-CE1 3.39Å; R19-H21 PolarHBondContact O-ND1 3.41Å; H21-T33 PolarHBondContact N-O 3.38Å; H21-T33 VanDerWaalsContact N-O 3.13Å; H21-N36 WeakPolarHBondContact CB-OD1 3.5Å
22	F	59.7	Low	67.7	Low	120 Å²	120	87.1 Å²	87.1	53%	0.526	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	131.6	-173.6	-167.9	-109.9	0	0	0	111.7	R24 A32 T33	F22-R24 HydrophobicContact CD1-CB 4.38Å; F22-R24 HydrophobicContact CE1-CB 3.67Å; F22-R24 HydrophobicContact CZ-CB 4.23Å; F22-A32 VanDerWaalsContact O-CA 3.3Å; F22-A32 WeakPolarHBondContact O-CA 3.46Å; F22-T33 PolarHBondContact O-N 3.44Å
23	V	59.7	Low	70.3	Confident	72 Å²	72	82.9 Å²	82.9	44%	0.436	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	113.2	171.8	-175.6	0	0	0	0	109	L20 H25 S31	L20-V23 HydrophobicContact CD2-CG2 3.87Å; L20-V23 HydrophobicContact CG-CG2 4.44Å; V23-H25 WeakPolarHBondContact CG1-CE1 3.47Å; V23-H25 WeakPolarHBondContact CG1-NE2 3.36Å; V23-S31 VanDerWaalsContact CA-O 3.29Å; V23-S31 WeakPolarHBondContact CA-O 3.47Å
24	R	65.9	Low	73	Confident	127 Å²	127	73.9 Å²	73.9	48%	0.479	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.5	169.7	-173.4	176.1	179.4	-174.7	0.2	108.5	F22 S31	F22-R24 HydrophobicContact CD1-CB 4.38Å; F22-R24 HydrophobicContact CE1-CB 3.67Å; F22-R24 HydrophobicContact CZ-CB 4.23Å; R24-S31 PolarHBondContact N-O 3.23Å; R24-S31 PolarHBondContact O-N 2.8Å
25	H	66	Low	75.5	Confident	119 Å²	119	72.1 Å²	72.1	55%	0.551	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	111.9	174.8	-66.5	-51.2	0	0	0	108.9	V23 K30	V23-H25 WeakPolarHBondContact CG1-CE1 3.47Å; V23-H25 WeakPolarHBondContact CG1-NE2 3.36Å; H25-K30 WeakPolarHBondContact ND1-CG 3.27Å
26	L	82.5	Confident	78	Confident	46 Å²	46	73.6 Å²	73.6	24%	0.241	36%	0.356	C	S	.	.			trans	-85.6	178.9	152.8	-58.9	177.3	0	0	0	108.1	Y28 I29 E59 V63	L26-Y28 VanDerWaalsContact C-N 3.29Å; L26-Y28 PolarHBondContact O-N 3.37Å; L26-I29 PolarHBondContact N-O 2.78Å; L26-E59 HydrophobicContact CB-CG 4.2Å; L26-E59 WeakPolarHBondContact CB-OE2 3.31Å; L26-E59 HydrophobicContact CD1-CB 3.93Å; L26-E59 HydrophobicContact CD1-CG 4.02Å; L26-V63 HydrophobicContact CD1-CG2 3.68Å
27	S	90.2	Very high	80.2	Confident	85 Å²	85	70.9 Å²	70.9	59%	0.594	33%	0.33	S	S	*	.	S	Bend	trans	-65.4	-37.9	-174	-41.6	0	0	0	0	111.5	E59	S27-E59 VanDerWaalsContact CB-OE1 3.23Å; S27-E59 WeakPolarHBondContact CB-OE1 3.44Å; S27-E59 PolarHBondContact N-OE1 2.82Å; S27-E59 PolarHBondContact N-OE2 3.1Å; S27-E59 PolarHBondContact OG-OE1 2.98Å
28	Y	96.2	Very high	82.3	Confident	72 Å²	72	61.6 Å²	61.6	28%	0.282	29%	0.294	S	S	.	.	S	Bend	trans	-119.1	-12.5	-172.1	-57.5	-70.6	0	0	0	113.6	L26 N44 N45 P55 L56 E59	L26-Y28 VanDerWaalsContact C-N 3.29Å; L26-Y28 PolarHBondContact O-N 3.37Å; Y28-N44 WeakPolarHBondContact O-CA 3.47Å; Y28-N44 WeakPolarHBondContact O-CB 3.41Å; Y28-N44 PolarHBondContact O-N 3.08Å; Y28-N45 HydrophobicContact CD1-CB 4.07Å; Y28-P55 HydrophobicContact CD2-CB 3.99Å; Y28-P55 HydrophobicContact CE2-CB 3.5Å; Y28-P55 VanDerWaalsContact CE2-CB 3.5Å; Y28-L56 HydrophobicContact CG-CB 4.03Å; Y28-E59 WeakPolarHBondContact CA-OE2 3.44Å; Y28-E59 WeakPolarHBondContact CB-OE2 3.47Å; Y28-E59 PolarHBondContact N-OE2 3.49Å
29	I	97	Very high	84.1	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122.9	177	-58.5	-55.7	0	0	0	111.1	L26 L41 L43 L56 E59 L60 V63	L26-I29 PolarHBondContact N-O 2.78Å; I29-L41 HydrophobicContact CB-CD2 4.43Å; I29-L41 HydrophobicContact CD1-CD2 3.74Å; I29-L41 HydrophobicContact CG1-CD2 4.34Å; I29-L41 HydrophobicContact CG2-CD1 4.4Å; I29-L41 HydrophobicContact CG2-CD2 3.39Å; I29-L41 HydrophobicContact CG2-CG 3.66Å; I29-L43 HydrophobicContact CD1-CD2 3.7Å; I29-L56 HydrophobicContact CD1-CD2 4.43Å; I29-L56 HydrophobicContact CD1-CG 4.31Å; I29-E59 HydrophobicContact CG1-CB 3.82Å; I29-E59 PolarHBondContact N-OE2 3.06Å; I29-E59 VanDerWaalsContact N-OE2 3.1Å; I29-L60 HydrophobicContact CD1-CB 4.32Å; I29-V63 HydrophobicContact CB-CG2 4.41Å; I29-V63 HydrophobicContact CG2-CB 4.47Å; I29-V63 HydrophobicContact CG2-CG1 4.47Å; I29-V63 HydrophobicContact CG2-CG2 3.91Å
30	K	96.5	Very high	85.4	Confident	52 Å²	52	51.9 Å²	51.9	23%	0.226	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	142.1	163.6	-49.4	177.3	171.3	156.7	0	109.1	H25 T42 N44 E81	H25-K30 WeakPolarHBondContact ND1-CG 3.27Å; K30-T42 PolarHBondContact N-O 3.32Å; K30-T42 PolarHBondContact O-N 3.37Å; K30-N44 HydrophobicContact CD-CB 4.29Å; K30-N44 WeakPolarHBondContact CE-OD1 3.45Å; K30-N44 HydrophobicContact CG-CB 3.83Å; K30-N44 PolarHBondContact NZ-OD1 3.24Å; K30-E81 IonicContact NZ-OE1 3.69Å; K30-E81 IonicContact NZ-OE2 2.71Å; K30-E81 PolarHBondContact NZ-OE2 2.89Å
31	S	94.4	Very high	87	Confident	9 Å²	9	49.4 Å²	49.4	6%	0.063	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	140.3	175.1	-76.6	0	0	0	0	110.7	V23 R24 H39 I40	V23-S31 VanDerWaalsContact CA-O 3.29Å; V23-S31 WeakPolarHBondContact CA-O 3.47Å; R24-S31 PolarHBondContact N-O 3.23Å; R24-S31 PolarHBondContact O-N 2.8Å; S31-H39 WeakPolarHBondContact CB-NE2 3.44Å; S31-H39 PolarHBondContact OG-NE2 3.24Å; S31-H39 VanDerWaalsContact OG-NE2 3.15Å; S31-I40 CarbonylContact C-O 3.55Å; S31-I40 WeakPolarHBondContact CA-O 3.49Å
32	A	94.9	Very high	88.7	Confident	17 Å²	17	46 Å²	46	14%	0.14	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	149.9	175.7	0	0	0	0	0	110	L20 F22 H39 I40	L20-A32 HydrophobicContact CD1-CB 3.64Å; F22-A32 VanDerWaalsContact O-CA 3.3Å; F22-A32 WeakPolarHBondContact O-CA 3.46Å; A32-H39 CarbonylContact O-C 3.33Å; A32-I40 HydrophobicContact CB-CB 4.15Å; A32-I40 HydrophobicContact CB-CD1 4.45Å; A32-I40 PolarHBondContact N-O 2.77Å; A32-I40 PolarHBondContact O-N 3.46Å
33	T	95.3	Very high	90.6	Very high	12 Å²	12	40.3 Å²	40.3	7%	0.074	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130.9	172.5	-48.1	0	0	0	0	110.8	H21 F22 V38 I73	H21-T33 PolarHBondContact N-O 3.38Å; H21-T33 VanDerWaalsContact N-O 3.13Å; F22-T33 PolarHBondContact O-N 3.44Å; T33-V38 CarbonylContact C-O 3.52Å; T33-V38 WeakPolarHBondContact CA-O 3.47Å; T33-V38 WeakPolarHBondContact CG2-O 3.48Å; T33-I73 HydrophobicContact CG2-CD1 3.57Å
34	I	94.9	Very high	92.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.4	174.5	-57.8	-61.3	0	0	0	109	F18 L20 N36 E37 V38 I40 I215	F18-I34 HydrophobicContact CB-CD1 4.25Å; F18-I34 HydrophobicContact CB-CG2 3.97Å; F18-I34 HydrophobicContact CD1-CG2 3.97Å; F18-I34 HydrophobicContact CG-CG2 4.25Å; L20-I34 HydrophobicContact CD1-CD1 3.8Å; I34-N36 PolarHBondContact O-N 2.97Å; I34-E37 PolarHBondContact O-N 2.91Å; I34-V38 HydrophobicContact CB-CB 4.32Å; I34-V38 PolarHBondContact N-O 2.68Å; I34-V38 PolarHBondContact O-N 3.32Å; I34-V38 VanDerWaalsContact O-N 3.07Å; I34-I40 HydrophobicContact CD1-CD1 4.41Å; I34-I40 HydrophobicContact CG1-CD1 3.78Å; I34-I215 HydrophobicContact CG1-CD1 4.22Å; I34-I215 HydrophobicContact CG2-CG2 4.25Å
35	D	92.9	Very high	93.8	Very high	57 Å²	57	33.9 Å²	33.9	31%	0.305	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	21.7	177.4	-56.2	-29	0	0	0	114.6	R19 E37 K219	R19-D35 PolarHBondContact O-N 3.4Å; D35-E37 PolarHBondContact O-N 2.96Å; D35-E37 VanDerWaalsContact O-N 3.16Å; D35-K219 WeakPolarHBondContact OD2-CE 3.4Å; D35-K219 IonicContact OD2-NZ 2.68Å; D35-K219 PolarHBondContact OD2-NZ 3.28Å
36	N	92.2	Very high	95.3	Very high	74 Å²	74	31.2 Å²	31.2	40%	0.396	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	10.5	-172.6	-61.5	-22.8	0	0	0	115.7	H21 I34 N72	H21-N36 WeakPolarHBondContact CB-OD1 3.5Å; I34-N36 PolarHBondContact O-N 2.97Å; N36-N72 CarbonylContact O-C 3.55Å; N36-N72 VanDerWaalsContact O-CB 3.24Å; N36-N72 WeakPolarHBondContact O-CB 3.36Å
37	E	95.9	Very high	95.9	Very high	57 Å²	57	37.6 Å²	37.6	27%	0.266	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	-31.9	-176.2	-63.8	-170.1	142.3	0	0	113.6	I34 D35 I73 K74 A75 T222	I34-E37 PolarHBondContact O-N 2.91Å; D35-E37 PolarHBondContact O-N 2.96Å; D35-E37 VanDerWaalsContact O-N 3.16Å; E37-I73 CarbonylContact O-C 3.6Å; E37-I73 WeakPolarHBondContact O-CA 3.46Å; E37-K74 HydrophobicContact CB-CD 4.41Å; E37-K74 HydrophobicContact CG-CD 4.27Å; E37-K74 PolarHBondContact O-N 3.44Å; E37-K74 VanDerWaalsContact OE1-CE 3.26Å; E37-K74 WeakPolarHBondContact OE1-CE 3.24Å; E37-K74 IonicContact OE1-NZ 3.75Å; E37-K74 PolarHBondContact OE1-NZ 3.38Å; E37-A75 PolarHBondContact O-N 3.26Å; E37-T222 HydrophobicContact CB-CG2 4.13Å; E37-T222 WeakPolarHBondContact OE2-CB 3.45Å; E37-T222 PolarHBondContact OE2-OG1 3.06Å; E37-T222 VanDerWaalsContact OE2-OG1 3.1Å
38	V	97.8	Very high	96.2	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	120.3	-179.9	-178.2	0	0	0	0	109	T33 I34 I40 V77 I215 A218 T222	T33-V38 CarbonylContact C-O 3.52Å; T33-V38 WeakPolarHBondContact CA-O 3.47Å; T33-V38 WeakPolarHBondContact CG2-O 3.48Å; I34-V38 HydrophobicContact CB-CB 4.32Å; I34-V38 PolarHBondContact N-O 2.68Å; I34-V38 PolarHBondContact O-N 3.32Å; I34-V38 VanDerWaalsContact O-N 3.07Å; V38-I40 HydrophobicContact CG1-CG1 4.48Å; V38-V77 HydrophobicContact CG1-CG2 3.84Å; V38-I215 HydrophobicContact CG1-CD1 4.46Å; V38-A218 HydrophobicContact CB-CB 4.42Å; V38-A218 HydrophobicContact CG1-CB 3.7Å; V38-A218 HydrophobicContact CG2-CB 3.78Å; V38-T222 HydrophobicContact CG2-CG2 3.64Å
39	H	97.3	Very high	96.3	Very high	16 Å²	16	32.7 Å²	32.7	7%	0.074	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.2	173.5	-161.7	98	0	0	0	110	S31 A32 I67 I73 A75 L76 V77	S31-H39 WeakPolarHBondContact CB-NE2 3.44Å; S31-H39 PolarHBondContact OG-NE2 3.24Å; S31-H39 VanDerWaalsContact OG-NE2 3.15Å; A32-H39 CarbonylContact O-C 3.33Å; H39-I67 HydrophobicContact CB-CD1 4.33Å; H39-I67 WeakPolarHBondContact CD2-CD1 3.41Å; H39-I73 HydrophobicContact CB-CD1 4.15Å; H39-I73 HydrophobicContact CB-CG1 4.36Å; H39-I73 HydrophobicContact CB-CG2 3.7Å; H39-A75 PolarHBondContact N-O 2.94Å; H39-L76 HydrophobicContact CB-CD1 4.39Å; H39-L76 CarbonylContact O-C 3.59Å; H39-L76 WeakPolarHBondContact O-CA 3.22Å; H39-L76 WeakPolarHBondContact O-CD1 3.28Å; H39-V77 PolarHBondContact O-N 2.84Å
40	I	98	Very high	96.4	Very high	8 Å²	8	32.7 Å²	32.7	4%	0.041	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	123	177.1	-50.6	170.1	0	0	0	108	S31 A32 I34 V38 V77 T79 Y211 I215	S31-I40 CarbonylContact C-O 3.55Å; S31-I40 WeakPolarHBondContact CA-O 3.49Å; A32-I40 HydrophobicContact CB-CB 4.15Å; A32-I40 HydrophobicContact CB-CD1 4.45Å; A32-I40 PolarHBondContact N-O 2.77Å; A32-I40 PolarHBondContact O-N 3.46Å; I34-I40 HydrophobicContact CD1-CD1 4.41Å; I34-I40 HydrophobicContact CG1-CD1 3.78Å; V38-I40 HydrophobicContact CG1-CG1 4.48Å; I40-V77 CarbonylContact C-O 3.53Å; I40-V77 WeakPolarHBondContact CA-O 3.43Å; I40-V77 HydrophobicContact CG1-CB 4.44Å; I40-T79 HydrophobicContact CG2-CG2 4.33Å; I40-Y211 HydrophobicContact CD1-CE2 3.98Å; I40-I215 HydrophobicContact CD1-CD1 3.56Å; I40-I215 HydrophobicContact CG1-CD1 4.07Å
41	L	97.6	Very high	96.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	116	177.8	-160.7	167.4	0	0	0	108.5	I29 L43 L60 V63 L76 V77 I78 T79	I29-L41 HydrophobicContact CB-CD2 4.43Å; I29-L41 HydrophobicContact CD1-CD2 3.74Å; I29-L41 HydrophobicContact CG1-CD2 4.34Å; I29-L41 HydrophobicContact CG2-CD1 4.4Å; I29-L41 HydrophobicContact CG2-CD2 3.39Å; I29-L41 HydrophobicContact CG2-CG 3.66Å; L41-L43 HydrophobicContact CD2-CD2 4.17Å; L41-L60 HydrophobicContact CD1-CD1 3.45Å; L41-L60 VanDerWaalsContact CD1-CD1 3.45Å; L41-L60 HydrophobicContact CD2-CD1 3.81Å; L41-L60 HydrophobicContact CG-CD1 4.31Å; L41-V63 HydrophobicContact CD1-CB 4.12Å; L41-V63 HydrophobicContact CD1-CG1 3.52Å; L41-V63 HydrophobicContact CG-CG1 4.08Å; L41-L76 HydrophobicContact CB-CD1 4.01Å; L41-V77 PolarHBondContact N-O 2.99Å; L41-I78 CarbonylContact O-C 3.4Å; L41-I78 WeakPolarHBondContact O-CA 3.46Å; L41-T79 PolarHBondContact O-N 3.01Å
42	T	98.4	Very high	96.6	Very high	21 Å²	21	30.2 Å²	30.2	13%	0.129	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	117.9	179.8	-52.6	0	0	0	0	110.2	K30 N44 T79 E81	K30-T42 PolarHBondContact N-O 3.32Å; K30-T42 PolarHBondContact O-N 3.37Å; T42-N44 PolarHBondContact O-N 2.98Å; T42-T79 CarbonylContact C-O 3.49Å; T42-T79 VanDerWaalsContact CA-O 3.27Å; T42-T79 WeakPolarHBondContact CA-O 3.41Å; T42-T79 HydrophobicContact CG2-CG2 4.1Å; T42-E81 HydrophobicContact CG2-CB 3.88Å
43	L	98.6	Very high	96.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	118.3	167.6	-50.9	-176.7	0	0	0	108.3	I29 L41 N50 L52 L56 L60 T79 E81 L138	I29-L43 HydrophobicContact CD1-CD2 3.7Å; L41-L43 HydrophobicContact CD2-CD2 4.17Å; L43-N50 HydrophobicContact CB-CB 4.07Å; L43-N50 PolarHBondContact O-OD1 2.99Å; L43-L52 HydrophobicContact CD1-CD2 4.47Å; L43-L56 HydrophobicContact CD2-CD2 4.27Å; L43-L60 HydrophobicContact CD2-CD2 4.48Å; L43-T79 PolarHBondContact N-O 3.27Å; L43-E81 WeakPolarHBondContact O-CB 3.48Å; L43-E81 PolarHBondContact O-N 3.41Å; L43-L138 HydrophobicContact CD1-CD2 4.03Å
44	N	97.5	Very high	96.7	Very high	34 Å²	34	30.3 Å²	30.3	18%	0.182	17%	0.166	C	C	.	.			trans	-123.9	64.9	-168.2	-178.5	58.4	0	0	0	111.2	Y28 K30 T42 P46 E81	Y28-N44 WeakPolarHBondContact O-CA 3.47Å; Y28-N44 WeakPolarHBondContact O-CB 3.41Å; Y28-N44 PolarHBondContact O-N 3.08Å; K30-N44 HydrophobicContact CD-CB 4.29Å; K30-N44 WeakPolarHBondContact CE-OD1 3.45Å; K30-N44 HydrophobicContact CG-CB 3.83Å; K30-N44 PolarHBondContact NZ-OD1 3.24Å; T42-N44 PolarHBondContact O-N 2.98Å; N44-P46 VanDerWaalsContact C-CD 3.48Å; N44-E81 HydrophobicContact CB-CB 4.46Å
45	N	96.6	Very high	96.7	Very high	31 Å²	31	32.9 Å²	32.9	17%	0.166	18%	0.183	C	C	.	.			trans	-133.9	60.2	166.1	-165.8	-1.4	0	0	0	110.6	Y28 M47 S48 A49 N50 L56	Y28-N45 HydrophobicContact CD1-CB 4.07Å; N45-M47 PolarHBondContact O-N 2.74Å; N45-M47 VanDerWaalsContact O-N 3.14Å; N45-S48 PolarHBondContact ND2-OG 2.74Å; N45-S48 PolarHBondContact O-N 2.77Å; N45-S48 VanDerWaalsContact O-N 3.09Å; N45-S48 PolarHBondContact O-OG 3.26Å; N45-S48 PolarHBondContact OD1-OG 3.48Å; N45-A49 PolarHBondContact O-N 2.91Å; N45-N50 WeakPolarHBondContact CA-OD1 3.19Å; N45-N50 PolarHBondContact N-OD1 3.41Å; N45-N50 WeakPolarHBondContact O-CA 3.37Å; N45-N50 PolarHBondContact O-N 3.01Å; N45-N50 PolarHBondContact O-OD1 3.47Å; N45-L56 HydrophobicContact CB-CD1 4.14Å
46	P	96.5	Very high	97	Very high	63 Å²	63	30.2 Å²	30.2	41%	0.409	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-62.9	-26.4	-171.2	25	-35.1	0	0	0	112.9	N44 S48 A49 E81	N44-P46 VanDerWaalsContact C-CD 3.48Å; P46-S48 PolarHBondContact O-N 3Å; P46-A49 PolarHBondContact O-N 3.38Å; P46-E81 HydrophobicContact CB-CG 4.48Å; P46-E81 HydrophobicContact CG-CG 4.19Å
47	M	95.8	Very high	97.2	Very high	180 Å²	180	26.7 Å²	26.7	89%	0.887	15%	0.15	S	C	*	.	G	3₁₀ helix	trans	-62.3	-29.6	177.5	-68.3	-57.9	-62.5	0	0	113.1	N45	N45-M47 PolarHBondContact O-N 2.74Å; N45-M47 VanDerWaalsContact O-N 3.14Å
48	S	96.9	Very high	97.3	Very high	35 Å²	35	28.6 Å²	28.6	25%	0.245	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-107.2	22.8	173.4	72.1	0	0	0	0	112.8	N45 P46 N50 S51 S87	N45-S48 PolarHBondContact ND2-OG 2.74Å; N45-S48 PolarHBondContact O-N 2.77Å; N45-S48 VanDerWaalsContact O-N 3.09Å; N45-S48 PolarHBondContact O-OG 3.26Å; N45-S48 PolarHBondContact OD1-OG 3.48Å; P46-S48 PolarHBondContact O-N 3Å; S48-N50 VanDerWaalsContact C-N 3.26Å; S48-N50 PolarHBondContact O-N 3.21Å; S48-S51 WeakPolarHBondContact CB-OG 3.41Å; S48-S51 WeakPolarHBondContact O-CB 3.47Å; S48-S51 PolarHBondContact O-N 3.34Å; S48-S51 PolarHBondContact OG-N 3.13Å; S48-S51 PolarHBondContact OG-OG 3.33Å; S48-S87 PolarHBondContact O-OG 2.82Å; S48-S87 VanDerWaalsContact O-OG 3.11Å
49	A	98.1	Very high	97.3	Very high	18 Å²	18	29.8 Å²	29.8	15%	0.149	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	40.3	-175.5	0	0	0	0	0	112.9	N45 P46 S51 Y84 S87	N45-A49 PolarHBondContact O-N 2.91Å; P46-A49 PolarHBondContact O-N 3.38Å; A49-S51 VanDerWaalsContact C-N 3.27Å; A49-S51 PolarHBondContact O-N 3.06Å; A49-Y84 HydrophobicContact CB-CD1 3.72Å; A49-Y84 HydrophobicContact CB-CD2 3.64Å; A49-Y84 HydrophobicContact CB-CE1 4.09Å; A49-Y84 HydrophobicContact CB-CE2 4.03Å; A49-Y84 HydrophobicContact CB-CG 3.49Å; A49-Y84 VanDerWaalsContact CB-CG 3.49Å; A49-S87 PolarHBondContact O-N 2.93Å; A49-S87 PolarHBondContact O-OG 3.32Å
50	N	98.5	Very high	97.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	54.4	42.1	-177.5	-59	-37.6	0	0	0	112.3	L43 N45 S48 L52 E81 Y84 F85 S86	L43-N50 HydrophobicContact CB-CB 4.07Å; L43-N50 PolarHBondContact O-OD1 2.99Å; N45-N50 WeakPolarHBondContact CA-OD1 3.19Å; N45-N50 PolarHBondContact N-OD1 3.41Å; N45-N50 WeakPolarHBondContact O-CA 3.37Å; N45-N50 PolarHBondContact O-N 3.01Å; N45-N50 PolarHBondContact O-OD1 3.47Å; S48-N50 VanDerWaalsContact C-N 3.26Å; S48-N50 PolarHBondContact O-N 3.21Å; N50-L52 PolarHBondContact O-N 3.01Å; N50-E81 PolarHBondContact ND2-N 3.18Å; N50-E81 PolarHBondContact ND2-O 3.28Å; N50-Y84 PolarHBondContact ND2-O 3.49Å; N50-F85 VanDerWaalsContact CB-O 3.26Å; N50-F85 WeakPolarHBondContact CB-O 3.29Å; N50-F85 PolarHBondContact ND2-O 3.28Å; N50-S86 WeakPolarHBondContact O-CB 3.32Å; N50-S86 PolarHBondContact O-OG 3.42Å
51	S	97.9	Very high	97.2	Very high	4 Å²	4	30.1 Å²	30.1	3%	0.028	17%	0.165	C	C	.	.			trans	-58.8	135.2	177	67.1	0	0	0	0	111	S48 A49 S53 S87 G88	S48-S51 WeakPolarHBondContact CB-OG 3.41Å; S48-S51 WeakPolarHBondContact O-CB 3.47Å; S48-S51 PolarHBondContact O-N 3.34Å; S48-S51 PolarHBondContact OG-N 3.13Å; S48-S51 PolarHBondContact OG-OG 3.33Å; A49-S51 VanDerWaalsContact C-N 3.27Å; A49-S51 PolarHBondContact O-N 3.06Å; S51-S53 PolarHBondContact O-N 3.26Å; S51-S87 WeakPolarHBondContact CA-OG 3.49Å; S51-G88 CarbonylContact C-O 3.56Å; S51-G88 WeakPolarHBondContact CA-O 3.24Å
52	L	97.8	Very high	97.1	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.026	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-72.3	72.5	173.1	-55.8	-178.7	0	0	0	110.6	L43 N50 L56 M57 G88 H89	L43-L52 HydrophobicContact CD1-CD2 4.47Å; N50-L52 PolarHBondContact O-N 3.01Å; L52-L56 HydrophobicContact CD2-CD2 3.92Å; L52-M57 HydrophobicContact CB-CG 4.12Å; L52-M57 HydrophobicContact CB-SD 4.08Å; L52-G88 PolarHBondContact N-O 3.17Å; L52-H89 PolarHBondContact O-ND1 2.75Å
53	S	96.4	Very high	96.9	Very high	5 Å²	5	33.7 Å²	33.7	4%	0.035	19%	0.186	C	C	.	.			trans	-75.8	157.1	169.5	61	0	0	0	0	110.9	S51 L56 M57 E93	S51-S53 PolarHBondContact O-N 3.26Å; S53-L56 PolarHBondContact O-N 3.23Å; S53-L56 VanDerWaalsContact O-N 3.15Å; S53-M57 WeakPolarHBondContact O-CG 3.25Å; S53-M57 PolarHBondContact O-N 3.33Å; S53-E93 WeakPolarHBondContact CA-OE2 3.17Å; S53-E93 WeakPolarHBondContact CB-OE1 3.26Å
54	L	95.3	Very high	96.8	Very high	27 Å²	27	33.9 Å²	33.9	14%	0.141	19%	0.187	C	C	.	.	H	α-helix	trans	-56	-44	179.1	-175.6	64	0	0	0	113.1	L56 M57 K58 E93 E104 I105 T108	L54-L56 PolarHBondContact O-N 3.09Å; L54-M57 HydrophobicContact CD1-CE 4.37Å; L54-M57 PolarHBondContact O-N 2.9Å; L54-K58 HydrophobicContact CD1-CD 4.43Å; L54-K58 HydrophobicContact CD1-CG 4.36Å; L54-K58 HydrophobicContact CG-CD 4.28Å; L54-K58 WeakPolarHBondContact O-CG 3.41Å; L54-K58 PolarHBondContact O-N 3.48Å; L54-E93 PolarHBondContact N-OE2 3.02Å; L54-E104 HydrophobicContact CD1-CG 4Å; L54-E104 HydrophobicContact CD2-CG 4.26Å; L54-I105 HydrophobicContact CB-CG1 4.27Å; L54-T108 HydrophobicContact CD1-CG2 4.29Å
55	P	95.7	Very high	96.7	Very high	54 Å²	54	36.2 Å²	36.2	35%	0.351	20%	0.197	S	C	.	.	H	α-helix	trans	-60.1	-42.5	175	-26	36.6	0	0	0	113.5	Y28 K58 E59	Y28-P55 HydrophobicContact CD2-CB 3.99Å; Y28-P55 HydrophobicContact CE2-CB 3.5Å; Y28-P55 VanDerWaalsContact CE2-CB 3.5Å; P55-K58 PolarHBondContact O-N 3.47Å; P55-E59 PolarHBondContact O-N 3.25Å
56	L	97.7	Very high	96.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.5	-44.6	177.7	-179.8	156.8	0	0	0	110.9	Y28 I29 L43 N45 L52 S53 L54 K58 E59 L60	Y28-L56 HydrophobicContact CG-CB 4.03Å; I29-L56 HydrophobicContact CD1-CD2 4.43Å; I29-L56 HydrophobicContact CD1-CG 4.31Å; L43-L56 HydrophobicContact CD2-CD2 4.27Å; N45-L56 HydrophobicContact CB-CD1 4.14Å; L52-L56 HydrophobicContact CD2-CD2 3.92Å; S53-L56 PolarHBondContact O-N 3.23Å; S53-L56 VanDerWaalsContact O-N 3.15Å; L54-L56 PolarHBondContact O-N 3.09Å; L56-K58 VanDerWaalsContact C-N 3.34Å; L56-K58 PolarHBondContact O-N 2.96Å; L56-E59 PolarHBondContact O-N 3.03Å; L56-L60 WeakPolarHBondContact O-CB 3.33Å; L56-L60 PolarHBondContact O-N 2.68Å
57	M	97.8	Very high	96.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.4	-38.6	178.7	-71.8	-169.3	-62.2	0	0	112.3	L52 S53 L54 L60 L61 I105 T108 A109 I112	L52-M57 HydrophobicContact CB-CG 4.12Å; L52-M57 HydrophobicContact CB-SD 4.08Å; S53-M57 WeakPolarHBondContact O-CG 3.25Å; S53-M57 PolarHBondContact O-N 3.33Å; L54-M57 HydrophobicContact CD1-CE 4.37Å; L54-M57 PolarHBondContact O-N 2.9Å; M57-L60 WeakPolarHBondContact O-CB 3.39Å; M57-L60 PolarHBondContact O-N 3.43Å; M57-L61 PolarHBondContact O-N 3.15Å; M57-I105 HydrophobicContact CE-CG2 4.04Å; M57-I105 WeakPolarHBondContact CE-O 3.34Å; M57-T108 HydrophobicContact CB-CG2 3.76Å; M57-A109 HydrophobicContact SD-CB 3.88Å; M57-I112 HydrophobicContact CB-CD1 3.59Å; M57-I112 HydrophobicContact CG-CD1 3.72Å; M57-I112 HydrophobicContact SD-CD1 4.19Å
58	K	97	Very high	96.2	Very high	97 Å²	97	30.6 Å²	30.6	42%	0.422	17%	0.167	S	C	.	.	H	α-helix	trans	-66	-40.8	174.4	-74.6	-178.5	174.9	177	0	112.6	L54 P55 L56 L60 T62 E104	L54-K58 HydrophobicContact CD1-CD 4.43Å; L54-K58 HydrophobicContact CD1-CG 4.36Å; L54-K58 HydrophobicContact CG-CD 4.28Å; L54-K58 WeakPolarHBondContact O-CG 3.41Å; L54-K58 PolarHBondContact O-N 3.48Å; P55-K58 PolarHBondContact O-N 3.47Å; L56-K58 VanDerWaalsContact C-N 3.34Å; L56-K58 PolarHBondContact O-N 2.96Å; K58-L60 VanDerWaalsContact C-N 3.34Å; K58-T62 PolarHBondContact O-N 2.95Å; K58-T62 VanDerWaalsContact O-N 3.08Å; K58-T62 PolarHBondContact O-OG1 3.43Å; K58-E104 WeakPolarHBondContact CE-OE1 3.43Å; K58-E104 IonicContact NZ-OE1 2.69Å; K58-E104 PolarHBondContact NZ-OE1 3.17Å
59	E	97.3	Very high	95.9	Very high	27 Å²	27	35.3 Å²	35.3	13%	0.126	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-40.2	172.2	-73.6	-169.4	-178.7	0	0	111.7	L26 S27 Y28 I29 P55 L56 T62 V63	L26-E59 HydrophobicContact CB-CG 4.2Å; L26-E59 WeakPolarHBondContact CB-OE2 3.31Å; L26-E59 HydrophobicContact CD1-CB 3.93Å; L26-E59 HydrophobicContact CD1-CG 4.02Å; S27-E59 VanDerWaalsContact CB-OE1 3.23Å; S27-E59 WeakPolarHBondContact CB-OE1 3.44Å; S27-E59 PolarHBondContact N-OE1 2.82Å; S27-E59 PolarHBondContact N-OE2 3.1Å; S27-E59 PolarHBondContact OG-OE1 2.98Å; Y28-E59 WeakPolarHBondContact CA-OE2 3.44Å; Y28-E59 WeakPolarHBondContact CB-OE2 3.47Å; Y28-E59 PolarHBondContact N-OE2 3.49Å; I29-E59 HydrophobicContact CG1-CB 3.82Å; I29-E59 PolarHBondContact N-OE2 3.06Å; I29-E59 VanDerWaalsContact N-OE2 3.1Å; P55-E59 PolarHBondContact O-N 3.25Å; L56-E59 PolarHBondContact O-N 3.03Å; E59-T62 WeakPolarHBondContact O-CB 3.32Å; E59-T62 PolarHBondContact O-N 2.97Å; E59-V63 WeakPolarHBondContact O-CG2 3.44Å; E59-V63 PolarHBondContact O-N 2.88Å
60	L	97.6	Very high	95.6	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-60	-48.6	176.2	179.2	53.6	0	0	0	111.5	I29 L41 L43 L56 M57 K58 T62 V63 L64 I112	I29-L60 HydrophobicContact CD1-CB 4.32Å; L41-L60 HydrophobicContact CD1-CD1 3.45Å; L41-L60 VanDerWaalsContact CD1-CD1 3.45Å; L41-L60 HydrophobicContact CD2-CD1 3.81Å; L41-L60 HydrophobicContact CG-CD1 4.31Å; L43-L60 HydrophobicContact CD2-CD2 4.48Å; L56-L60 WeakPolarHBondContact O-CB 3.33Å; L56-L60 PolarHBondContact O-N 2.68Å; M57-L60 WeakPolarHBondContact O-CB 3.39Å; M57-L60 PolarHBondContact O-N 3.43Å; K58-L60 VanDerWaalsContact C-N 3.34Å; L60-T62 VanDerWaalsContact C-N 3.31Å; L60-T62 PolarHBondContact O-N 3.32Å; L60-V63 PolarHBondContact O-N 2.93Å; L60-L64 HydrophobicContact CD1-CD1 4.34Å; L60-L64 HydrophobicContact CD1-CG 4.21Å; L60-L64 HydrophobicContact CG-CD1 4.29Å; L60-L64 WeakPolarHBondContact O-CG 3.5Å; L60-L64 PolarHBondContact O-N 3.16Å; L60-I112 HydrophobicContact CD2-CD1 4.07Å; L60-I112 HydrophobicContact CD2-CG2 3.89Å; L60-I112 HydrophobicContact CG-CD1 4.45Å; L60-I112 HydrophobicContact CG-CG2 4.43Å
61	L	96.9	Very high	95.1	Very high	30 Å²	30	44.6 Å²	44.6	16%	0.157	23%	0.234	C	C	.	.	H	α-helix	trans	-58	-42.9	175	-76.3	172.7	0	0	0	112.4	M57 V63 L64 E65 T108 E111 I112 K115	M57-L61 PolarHBondContact O-N 3.15Å; L61-V63 VanDerWaalsContact C-N 3.31Å; L61-V63 PolarHBondContact O-N 3.11Å; L61-L64 PolarHBondContact O-N 3.18Å; L61-E65 PolarHBondContact O-N 3.45Å; L61-T108 HydrophobicContact CD1-CG2 3.74Å; L61-E111 HydrophobicContact CD1-CG 4.47Å; L61-E111 HydrophobicContact CD2-CG 4.08Å; L61-I112 HydrophobicContact CD1-CG1 4.35Å; L61-I112 HydrophobicContact CD2-CB 4.48Å; L61-I112 HydrophobicContact CD2-CG1 3.6Å; L61-I112 HydrophobicContact CG-CD1 4.36Å; L61-I112 HydrophobicContact CG-CG1 3.67Å; L61-K115 HydrophobicContact CD2-CG 4.2Å
62	T	95.4	Very high	94.9	Very high	83 Å²	83	49.6 Å²	49.6	51%	0.509	26%	0.261	S	S	.	.	H	α-helix	trans	-60.7	-41.9	178.2	-57.8	0	0	0	0	111.5	K58 E59 L60 S66	K58-T62 PolarHBondContact O-N 2.95Å; K58-T62 VanDerWaalsContact O-N 3.08Å; K58-T62 PolarHBondContact O-OG1 3.43Å; E59-T62 WeakPolarHBondContact O-CB 3.32Å; E59-T62 PolarHBondContact O-N 2.97Å; L60-T62 VanDerWaalsContact C-N 3.31Å; L60-T62 PolarHBondContact O-N 3.32Å; T62-S66 PolarHBondContact O-N 2.81Å; T62-S66 VanDerWaalsContact O-N 3.12Å
63	V	94.8	Very high	94.8	Very high	12 Å²	12	49.9 Å²	49.9	7%	0.073	26%	0.262	C	S	.	.	H	α-helix	trans	-71.5	-40.3	178.8	174.2	0	0	0	0	111.3	L26 I29 L41 E59 L60 L61 E65 S66 I67	L26-V63 HydrophobicContact CD1-CG2 3.68Å; I29-V63 HydrophobicContact CB-CG2 4.41Å; I29-V63 HydrophobicContact CG2-CB 4.47Å; I29-V63 HydrophobicContact CG2-CG1 4.47Å; I29-V63 HydrophobicContact CG2-CG2 3.91Å; L41-V63 HydrophobicContact CD1-CB 4.12Å; L41-V63 HydrophobicContact CD1-CG1 3.52Å; L41-V63 HydrophobicContact CG-CG1 4.08Å; E59-V63 WeakPolarHBondContact O-CG2 3.44Å; E59-V63 PolarHBondContact O-N 2.88Å; L60-V63 PolarHBondContact O-N 2.93Å; L61-V63 VanDerWaalsContact C-N 3.31Å; L61-V63 PolarHBondContact O-N 3.11Å; V63-E65 VanDerWaalsContact C-N 3.34Å; V63-E65 PolarHBondContact O-N 3.31Å; V63-S66 WeakPolarHBondContact O-CB 3.43Å; V63-S66 PolarHBondContact O-N 3.37Å; V63-I67 HydrophobicContact CG1-CD1 3.73Å; V63-I67 HydrophobicContact CG1-CG1 4.35Å; V63-I67 VanDerWaalsContact O-CG1 3.29Å; V63-I67 WeakPolarHBondContact O-CG1 3.3Å; V63-I67 PolarHBondContact O-N 2.85Å
64	L	96.3	Very high	94.9	Very high	4 Å²	4	52 Å²	52	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-58.9	-45	174.8	-70.6	174.8	0	0	0	111.4	L60 L61 S66 I67 K68 L76 I112 L116 F119	L60-L64 HydrophobicContact CD1-CD1 4.34Å; L60-L64 HydrophobicContact CD1-CG 4.21Å; L60-L64 HydrophobicContact CG-CD1 4.29Å; L60-L64 WeakPolarHBondContact O-CG 3.5Å; L60-L64 PolarHBondContact O-N 3.16Å; L61-L64 PolarHBondContact O-N 3.18Å; L64-S66 VanDerWaalsContact C-N 3.35Å; L64-S66 PolarHBondContact O-N 3.19Å; L64-I67 PolarHBondContact O-N 3.01Å; L64-K68 WeakPolarHBondContact O-CB 3.28Å; L64-K68 PolarHBondContact O-N 3.48Å; L64-L76 HydrophobicContact CD2-CD2 3.54Å; L64-I112 HydrophobicContact CD1-CG2 4.43Å; L64-L116 HydrophobicContact CD1-CD2 4.48Å; L64-L116 HydrophobicContact CD2-CD2 4.12Å; L64-F119 HydrophobicContact CB-CE2 4.04Å; L64-F119 HydrophobicContact CB-CZ 4.49Å; L64-F119 HydrophobicContact CD2-CE2 4.13Å; L64-F119 HydrophobicContact CD2-CZ 4.11Å; L64-F119 VanDerWaalsContact O-CE2 3.29Å; L64-F119 WeakPolarHBondContact O-CE2 3.5Å; L64-F119 WeakPolarHBondContact O-CZ 3.48Å
65	E	94.8	Very high	95	Very high	83 Å²	83	50.8 Å²	50.8	39%	0.388	26%	0.264	S	S	.	.	H	α-helix	trans	-64.4	-39.6	177.4	-167.9	59.4	-143.9	0	0	111.8	L61 V63 I67 K68 L69	L61-E65 PolarHBondContact O-N 3.45Å; V63-E65 VanDerWaalsContact C-N 3.34Å; V63-E65 PolarHBondContact O-N 3.31Å; E65-I67 VanDerWaalsContact C-N 3.34Å; E65-I67 PolarHBondContact O-N 3.47Å; E65-K68 WeakPolarHBondContact O-CB 3.36Å; E65-K68 PolarHBondContact O-N 3.33Å; E65-L69 WeakPolarHBondContact O-CG 3.29Å; E65-L69 PolarHBondContact O-N 3.34Å
66	S	92.4	Very high	95.1	Very high	57 Å²	57	48.2 Å²	48.2	40%	0.399	25%	0.247	S	C	.	.	H	α-helix	trans	-59.4	-42.2	173.4	173.5	0	0	0	0	112.7	T62 V63 L64 S70	T62-S66 PolarHBondContact O-N 2.81Å; T62-S66 VanDerWaalsContact O-N 3.12Å; V63-S66 WeakPolarHBondContact O-CB 3.43Å; V63-S66 PolarHBondContact O-N 3.37Å; L64-S66 VanDerWaalsContact C-N 3.35Å; L64-S66 PolarHBondContact O-N 3.19Å; S66-S70 PolarHBondContact O-OG 3.47Å
67	I	93.5	Very high	95.2	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-71.7	-37.8	-179.3	-66.2	162.4	0	0	0	110.4	H39 V63 L64 E65 L69 S70 I73 L76 F119 I121	H39-I67 HydrophobicContact CB-CD1 4.33Å; H39-I67 WeakPolarHBondContact CD2-CD1 3.41Å; V63-I67 HydrophobicContact CG1-CD1 3.73Å; V63-I67 HydrophobicContact CG1-CG1 4.35Å; V63-I67 VanDerWaalsContact O-CG1 3.29Å; V63-I67 WeakPolarHBondContact O-CG1 3.3Å; V63-I67 PolarHBondContact O-N 2.85Å; L64-I67 PolarHBondContact O-N 3.01Å; E65-I67 VanDerWaalsContact C-N 3.34Å; E65-I67 PolarHBondContact O-N 3.47Å; I67-L69 PolarHBondContact O-N 2.7Å; I67-S70 VanDerWaalsContact O-CB 3.24Å; I67-S70 WeakPolarHBondContact O-CB 3.33Å; I67-S70 PolarHBondContact O-N 2.73Å; I67-I73 HydrophobicContact CG2-CB 4.42Å; I67-I73 HydrophobicContact CG2-CG2 4.08Å; I67-L76 HydrophobicContact CD1-CD1 3.9Å; I67-F119 HydrophobicContact CB-CE1 4.48Å; I67-F119 HydrophobicContact CB-CZ 3.93Å; I67-F119 HydrophobicContact CG2-CE1 3.84Å; I67-F119 HydrophobicContact CG2-CZ 3.78Å; I67-I121 HydrophobicContact CG2-CD1 3.87Å
68	K	91.6	Very high	95.2	Very high	96 Å²	96	48.4 Å²	48.4	42%	0.417	25%	0.248	S	C	.	.	H	α-helix	trans	-55	-34.3	176.6	-176.3	-179.5	176.2	-175.2	0	112.6	L64 E65 S70 F119 P120	L64-K68 WeakPolarHBondContact O-CB 3.28Å; L64-K68 PolarHBondContact O-N 3.48Å; E65-K68 WeakPolarHBondContact O-CB 3.36Å; E65-K68 PolarHBondContact O-N 3.33Å; K68-S70 VanDerWaalsContact C-N 3.31Å; K68-F119 HydrophobicContact CB-CE2 4Å; K68-F119 HydrophobicContact CB-CZ 4.32Å; K68-P120 HydrophobicContact CB-CG 4.48Å; K68-P120 HydrophobicContact CG-CG 3.97Å
69	L	90.7	Very high	95.3	Very high	134 Å²	134	44.8 Å²	44.8	70%	0.702	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-7.1	177.7	-60.9	175.2	0	0	0	113.9	E65 I67	E65-L69 WeakPolarHBondContact O-CG 3.29Å; E65-L69 PolarHBondContact O-N 3.34Å; I67-L69 PolarHBondContact O-N 2.7Å
70	S	91.7	Very high	95.4	Very high	42 Å²	42	43.9 Å²	43.9	29%	0.294	23%	0.232	S	C	.	.			trans	-84	123.3	-174.7	-62	0	0	0	0	112	S66 I67 K68 K226	S66-S70 PolarHBondContact O-OG 3.47Å; I67-S70 VanDerWaalsContact O-CB 3.24Å; I67-S70 WeakPolarHBondContact O-CB 3.33Å; I67-S70 PolarHBondContact O-N 2.73Å; K68-S70 VanDerWaalsContact C-N 3.31Å; S70-K226 PolarHBondContact O-NZ 3.06Å
71	Q	88.9	Confident	95.4	Very high	170 Å²	170	45.9 Å²	45.9	79%	0.794	24%	0.241	S	C	*	.	S	Bend	trans	-72.3	-34.9	179.9	-66.5	-176.6	3.9	0	0	112.7	K226	Q71-K226 PolarHBondContact O-NZ 3.27Å
72	N	92.8	Very high	95.4	Very high	110 Å²	110	46.6 Å²	46.6	59%	0.588	26%	0.257	S	S	*	.	S	Bend	trans	-85.9	-26.8	-172.1	-60.6	-27.6	0	0	0	114.4	N36 K74	N36-N72 CarbonylContact O-C 3.55Å; N36-N72 VanDerWaalsContact O-CB 3.24Å; N36-N72 WeakPolarHBondContact O-CB 3.36Å; N72-K74 PolarHBondContact O-N 3.28Å
73	I	96.7	Very high	95.5	Very high	10 Å²	10	52.5 Å²	52.5	5%	0.051	27%	0.269	C	S	.	.			trans	-70.6	130.2	-179.1	-52.8	-58.2	0	0	0	109.6	T33 E37 H39 I67 A75 I121 K226	T33-I73 HydrophobicContact CG2-CD1 3.57Å; E37-I73 CarbonylContact O-C 3.6Å; E37-I73 WeakPolarHBondContact O-CA 3.46Å; H39-I73 HydrophobicContact CB-CD1 4.15Å; H39-I73 HydrophobicContact CB-CG1 4.36Å; H39-I73 HydrophobicContact CB-CG2 3.7Å; I67-I73 HydrophobicContact CG2-CB 4.42Å; I67-I73 HydrophobicContact CG2-CG2 4.08Å; I73-A75 WeakPolarHBondContact CG2-O 3.35Å; I73-I121 HydrophobicContact CB-CD1 4.28Å; I73-I121 HydrophobicContact CG2-CD1 3.46Å; I73-I121 VanDerWaalsContact CG2-CD1 3.46Å; I73-K226 VanDerWaalsContact O-CE 3.29Å; I73-K226 WeakPolarHBondContact O-CE 3.45Å; I73-K226 PolarHBondContact O-NZ 3.07Å
74	K	97.3	Very high	95.7	Very high	51 Å²	51	56.1 Å²	56.1	22%	0.222	28%	0.282	C	S	.	.			trans	-118.2	-20	-177.2	-67.1	179.2	177.6	174.8	0	113.4	E37 N72 T222 K226	E37-K74 HydrophobicContact CB-CD 4.41Å; E37-K74 HydrophobicContact CG-CD 4.27Å; E37-K74 PolarHBondContact O-N 3.44Å; E37-K74 VanDerWaalsContact OE1-CE 3.26Å; E37-K74 WeakPolarHBondContact OE1-CE 3.24Å; E37-K74 IonicContact OE1-NZ 3.75Å; E37-K74 PolarHBondContact OE1-NZ 3.38Å; N72-K74 PolarHBondContact O-N 3.28Å; K74-T222 HydrophobicContact CB-CG2 3.67Å; K74-T222 HydrophobicContact CD-CG2 4.48Å; K74-T222 WeakPolarHBondContact CD-O 3.22Å; K74-T222 PolarHBondContact NZ-O 3.3Å; K74-T222 VanDerWaalsContact NZ-O 3.09Å; K74-K226 HydrophobicContact CG-CB 4.13Å; K74-K226 HydrophobicContact CG-CD 4.14Å; K74-K226 HydrophobicContact CG-CG 4.32Å
75	A	98.3	Very high	95.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	145.3	175.7	0	0	0	0	0	111.2	E37 H39 I73 A218 T222	E37-A75 PolarHBondContact O-N 3.26Å; H39-A75 PolarHBondContact N-O 2.94Å; I73-A75 WeakPolarHBondContact CG2-O 3.35Å; A75-A218 HydrophobicContact CB-CB 4.2Å; A75-T222 HydrophobicContact CB-CG2 3.9Å
76	L	98.4	Very high	96	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	127	174.2	172.8	59.2	0	0	0	109.6	H39 L41 L64 I67 I78 L116 F119 I121 P122 S123 I124	H39-L76 HydrophobicContact CB-CD1 4.39Å; H39-L76 CarbonylContact O-C 3.59Å; H39-L76 WeakPolarHBondContact O-CA 3.22Å; H39-L76 WeakPolarHBondContact O-CD1 3.28Å; L41-L76 HydrophobicContact CB-CD1 4.01Å; L64-L76 HydrophobicContact CD2-CD2 3.54Å; I67-L76 HydrophobicContact CD1-CD1 3.9Å; L76-I78 HydrophobicContact CD1-CG1 4.34Å; L76-I78 HydrophobicContact CD2-CD1 4.15Å; L76-I78 HydrophobicContact CD2-CG1 4.23Å; L76-I78 HydrophobicContact CG-CD1 4.45Å; L76-I78 HydrophobicContact CG-CG1 4.01Å; L76-L116 HydrophobicContact CD2-CD2 4.35Å; L76-F119 HydrophobicContact CD2-CD1 4.44Å; L76-F119 HydrophobicContact CD2-CE1 4.02Å; L76-I121 HydrophobicContact CB-CD1 4.25Å; L76-P122 PolarHBondContact N-O 3.08Å; L76-S123 CarbonylContact O-C 3.54Å; L76-S123 WeakPolarHBondContact O-CA 3.45Å; L76-I124 PolarHBondContact O-N 3.21Å
77	V	98.8	Very high	96.3	Very high	3 Å²	3	51 Å²	51	2%	0.018	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	129.6	170.7	179.9	0	0	0	0	108.7	V38 H39 I40 L41 I124 A218	V38-V77 HydrophobicContact CG1-CG2 3.84Å; H39-V77 PolarHBondContact O-N 2.84Å; I40-V77 CarbonylContact C-O 3.53Å; I40-V77 WeakPolarHBondContact CA-O 3.43Å; I40-V77 HydrophobicContact CG1-CB 4.44Å; L41-V77 PolarHBondContact N-O 2.99Å; V77-I124 CarbonylContact C-O 3.37Å; V77-I124 WeakPolarHBondContact CA-O 3.39Å; V77-I124 HydrophobicContact CG2-CB 4.37Å; V77-I124 HydrophobicContact CG2-CD1 4.48Å; V77-A218 HydrophobicContact CG2-CB 3.98Å
78	I	98.8	Very high	96.5	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.3	177.1	-55.2	176.9	0	0	0	108.8	L41 L76 F85 L116 I124 S126 L138	L41-I78 CarbonylContact O-C 3.4Å; L41-I78 WeakPolarHBondContact O-CA 3.46Å; L76-I78 HydrophobicContact CD1-CG1 4.34Å; L76-I78 HydrophobicContact CD2-CD1 4.15Å; L76-I78 HydrophobicContact CD2-CG1 4.23Å; L76-I78 HydrophobicContact CG-CD1 4.45Å; L76-I78 HydrophobicContact CG-CG1 4.01Å; I78-F85 HydrophobicContact CG2-CE2 4.38Å; I78-F85 HydrophobicContact CG2-CZ 4.34Å; I78-L116 HydrophobicContact CD1-CD1 4.48Å; I78-L116 HydrophobicContact CD1-CD2 4.05Å; I78-I124 PolarHBondContact N-O 2.78Å; I78-S126 PolarHBondContact O-N 3.37Å; I78-L138 HydrophobicContact CG2-CD2 4.31Å
79	T	98.8	Very high	96.7	Very high	22 Å²	22	47.4 Å²	47.4	14%	0.135	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	166.1	178.4	-172	0	0	0	0	110.9	I40 L41 T42 L43 S126 N128	I40-T79 HydrophobicContact CG2-CG2 4.33Å; L41-T79 PolarHBondContact O-N 3.01Å; T42-T79 CarbonylContact C-O 3.49Å; T42-T79 VanDerWaalsContact CA-O 3.27Å; T42-T79 WeakPolarHBondContact CA-O 3.41Å; T42-T79 HydrophobicContact CG2-CG2 4.1Å; L43-T79 PolarHBondContact N-O 3.27Å; T79-S126 WeakPolarHBondContact CA-O 3.36Å; T79-S126 WeakPolarHBondContact CB-O 3.4Å; T79-S126 PolarHBondContact OG1-O 2.78Å; T79-S126 VanDerWaalsContact OG1-O 3.08Å; T79-N128 PolarHBondContact OG1-OD1 3.15Å
80	G	98.6	Very high	96.9	Very high	7 Å²	7	42.6 Å²	42.6	7%	0.072	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	151.2	169.3	0	0	0	0	0	112.8	N128	G80-N128 WeakPolarHBondContact CA-OD1 3.46Å; G80-N128 PolarHBondContact N-OD1 3.19Å; G80-N128 VanDerWaalsContact O-CG 3.3Å; G80-N128 PolarHBondContact O-ND2 2.93Å; G80-N128 VanDerWaalsContact O-ND2 3.1Å; G80-N128 PolarHBondContact O-OD1 2.89Å
81	E	98	Very high	97	Very high	44 Å²	44	44.7 Å²	44.7	21%	0.206	22%	0.223	C	C	.	.	S	Bend	trans	-78.5	137.3	166.2	-177.2	71.1	-147.6	0	0	109.9	K30 T42 L43 N44 P46 N50	K30-E81 IonicContact NZ-OE1 3.69Å; K30-E81 IonicContact NZ-OE2 2.71Å; K30-E81 PolarHBondContact NZ-OE2 2.89Å; T42-E81 HydrophobicContact CG2-CB 3.88Å; L43-E81 WeakPolarHBondContact O-CB 3.48Å; L43-E81 PolarHBondContact O-N 3.41Å; N44-E81 HydrophobicContact CB-CB 4.46Å; P46-E81 HydrophobicContact CB-CG 4.48Å; P46-E81 HydrophobicContact CG-CG 4.19Å; N50-E81 PolarHBondContact ND2-N 3.18Å; N50-E81 PolarHBondContact ND2-O 3.28Å
82	G	97.3	Very high	97.2	Very high	46 Å²	46	43.6 Å²	43.6	47%	0.474	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	-142.8	175.9	0	0	0	0	0	113.4	N128	G82-N128 PolarHBondContact O-ND2 2.9Å
83	R	97.5	Very high	97.2	Very high	206 Å²	206	40.5 Å²	40.5	78%	0.777	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-8.7	-167.3	-61.4	-171.3	-61	-178.1	0.5	115.3	P130	R83-P130 WeakPolarHBondContact O-CD 3.39Å
84	Y	98.6	Very high	96.9	Very high	88 Å²	88	41 Å²	41	35%	0.345	20%	0.204	S	C	.	.			trans	-120.5	143.4	-176.7	-78	-102.1	0	0	0	109.7	A49 N50 N128 P130	A49-Y84 HydrophobicContact CB-CD1 3.72Å; A49-Y84 HydrophobicContact CB-CD2 3.64Å; A49-Y84 HydrophobicContact CB-CE1 4.09Å; A49-Y84 HydrophobicContact CB-CE2 4.03Å; A49-Y84 HydrophobicContact CB-CG 3.49Å; A49-Y84 VanDerWaalsContact CB-CG 3.49Å; N50-Y84 PolarHBondContact ND2-O 3.49Å; Y84-N128 PolarHBondContact O-ND2 2.77Å; Y84-N128 VanDerWaalsContact O-ND2 3.1Å; Y84-P130 HydrophobicContact CD1-CB 3.63Å; Y84-P130 HydrophobicContact CD1-CG 3.87Å; Y84-P130 HydrophobicContact CE1-CB 3.69Å; Y84-P130 HydrophobicContact CE1-CG 3.76Å; Y84-P130 HydrophobicContact CG-CG 4.49Å
85	F	98.9	Very high	96.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-72.1	-62.4	161.8	176.2	-100.3	0	0	0	108.5	N50 I78 A125 V127 N128 P130 A131 G135 L138 V139	N50-F85 VanDerWaalsContact CB-O 3.26Å; N50-F85 WeakPolarHBondContact CB-O 3.29Å; N50-F85 PolarHBondContact ND2-O 3.28Å; I78-F85 HydrophobicContact CG2-CE2 4.38Å; I78-F85 HydrophobicContact CG2-CZ 4.34Å; F85-A125 HydrophobicContact CZ-CB 4.46Å; F85-V127 HydrophobicContact CB-CG1 3.87Å; F85-V127 HydrophobicContact CD2-CG1 4.42Å; F85-V127 HydrophobicContact CD2-CG2 4.49Å; F85-V127 HydrophobicContact CG-CG1 4.08Å; F85-N128 WeakPolarHBondContact CA-OD1 3.36Å; F85-P130 PolarHBondContact N-O 3.29Å; F85-P130 VanDerWaalsContact N-O 3.09Å; F85-A131 HydrophobicContact CB-CB 4.27Å; F85-A131 HydrophobicContact CD1-CB 3.78Å; F85-A131 HydrophobicContact CG-CB 4.37Å; F85-G135 WeakPolarHBondContact CE1-O 3.32Å; F85-L138 HydrophobicContact CE1-CB 4.21Å; F85-L138 HydrophobicContact CE1-CD2 3.99Å; F85-L138 HydrophobicContact CE1-CG 4.21Å; F85-L138 HydrophobicContact CZ-CD2 3.92Å; F85-L138 HydrophobicContact CZ-CG 4.15Å; F85-V139 HydrophobicContact CD1-CG2 3.86Å; F85-V139 HydrophobicContact CE1-CG2 3.49Å; F85-V139 VanDerWaalsContact CE1-CG2 3.49Å; F85-V139 HydrophobicContact CZ-CG2 3.99Å
86	S	98.8	Very high	95.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-165.3	138.4	170.4	177.8	0	0	0	0	111.5	N50 G88 P130 A131 V132	N50-S86 WeakPolarHBondContact O-CB 3.32Å; N50-S86 PolarHBondContact O-OG 3.42Å; S86-G88 VanDerWaalsContact C-N 3.29Å; S86-G88 PolarHBondContact O-N 3.28Å; S86-G88 PolarHBondContact OG-N 2.88Å; S86-P130 PolarHBondContact N-O 3.18Å; S86-A131 WeakPolarHBondContact O-CA 3.32Å; S86-V132 PolarHBondContact O-N 3.16Å
87	S	98.1	Very high	95.1	Very high	37 Å²	37	51.9 Å²	51.9	26%	0.259	26%	0.256	S	S	.	.			trans	-80.5	-1.6	175.6	58.5	0	0	0	0	114.5	S48 A49 S51 V132	S48-S87 PolarHBondContact O-OG 2.82Å; S48-S87 VanDerWaalsContact O-OG 3.11Å; A49-S87 PolarHBondContact O-N 2.93Å; A49-S87 PolarHBondContact O-OG 3.32Å; S51-S87 WeakPolarHBondContact CA-OG 3.49Å; S87-V132 CarbonylContact C-O 3.56Å
88	G	97.5	Very high	93.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.284	C	S	.	.			trans	85.4	-158.3	-172.9	0	0	0	0	0	112.3	S51 L52 S86 V132	S51-G88 CarbonylContact C-O 3.56Å; S51-G88 WeakPolarHBondContact CA-O 3.24Å; L52-G88 PolarHBondContact N-O 3.17Å; S86-G88 VanDerWaalsContact C-N 3.29Å; S86-G88 PolarHBondContact O-N 3.28Å; S86-G88 PolarHBondContact OG-N 2.88Å; G88-V132 VanDerWaalsContact CA-O 3.28Å; G88-V132 WeakPolarHBondContact CA-O 3.3Å; G88-V132 PolarHBondContact N-O 3.18Å; G88-V132 VanDerWaalsContact N-O 3.15Å
89	H	96.5	Very high	92.5	Very high	25 Å²	25	62 Å²	62	12%	0.116	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-61.9	145.9	-174.7	-70.4	-55.5	0	0	0	113.6	L52 L91 V94 F106 A109	L52-H89 PolarHBondContact O-ND1 2.75Å; H89-L91 PolarHBondContact O-N 3.28Å; H89-L91 VanDerWaalsContact O-N 3.16Å; H89-V94 HydrophobicContact CB-CG2 3.58Å; H89-F106 AromaticContact CD2-CD1 3.83Å; H89-F106 AromaticContact CD2-CE1 3.62Å; H89-F106 AromaticContact NE2-CD1 3.71Å; H89-A109 VanDerWaalsContact CE1-CB 3.45Å; H89-A109 WeakPolarHBondContact CE1-CB 3.4Å
90	N	95.4	Very high	91	Very high	32 Å²	32	65 Å²	65	17%	0.171	34%	0.335	C	S	.	.			trans	-66.2	114.1	172.6	-173	-53.6	0	0	0	110.1	H92 E93 V94	N90-H92 VanDerWaalsContact C-N 3.26Å; N90-H92 PolarHBondContact O-N 2.78Å; N90-H92 WeakPolarHBondContact OD1-CB 3.43Å; N90-H92 PolarHBondContact OD1-N 2.83Å; N90-E93 HydrophobicContact CB-CB 4.31Å; N90-E93 HydrophobicContact CB-CG 4.05Å; N90-E93 WeakPolarHBondContact O-CB 3.37Å; N90-E93 PolarHBondContact O-N 2.89Å; N90-E93 PolarHBondContact OD1-N 3.07Å; N90-V94 WeakPolarHBondContact O-CG2 3.29Å; N90-V94 PolarHBondContact O-N 3.24Å
91	L	93.1	Very high	89.4	Confident	87 Å²	87	72.1 Å²	72.1	46%	0.455	37%	0.372	S	S	.	.	H	α-helix	trans	-64	-28.7	-175	-62.4	-179.9	0	0	0	113.4	H89 E93 V94 I95 L160	H89-L91 PolarHBondContact O-N 3.28Å; H89-L91 VanDerWaalsContact O-N 3.16Å; L91-E93 VanDerWaalsContact C-N 3.27Å; L91-E93 PolarHBondContact O-N 3.42Å; L91-V94 PolarHBondContact O-N 2.97Å; L91-I95 WeakPolarHBondContact O-CG1 3.32Å; L91-I95 PolarHBondContact O-N 3.46Å; L91-L160 HydrophobicContact CD1-CD1 3.87Å; L91-L160 HydrophobicContact CD2-CD1 3.89Å
92	H	92.7	Very high	88	Confident	146 Å²	146	73.4 Å²	73.4	68%	0.676	38%	0.383	S	S	*	.	H	α-helix	trans	-68.9	-27.6	174.7	-63.3	-69.1	0	0	0	112.5	N90 K96	N90-H92 VanDerWaalsContact C-N 3.26Å; N90-H92 PolarHBondContact O-N 2.78Å; N90-H92 WeakPolarHBondContact OD1-CB 3.43Å; N90-H92 PolarHBondContact OD1-N 2.83Å; H92-K96 WeakPolarHBondContact O-CD 3.38Å; H92-K96 WeakPolarHBondContact O-CE 3.27Å; H92-K96 WeakPolarHBondContact O-CG 3.46Å
93	E	92.3	Very high	87.4	Confident	46 Å²	46	75.8 Å²	75.8	22%	0.215	38%	0.384	C	S	.	.	H	α-helix	trans	-80.6	-42.8	173.1	-62.2	-176.8	167.7	0	0	110.6	S53 L54 N90 L91 I95 K96 I97 I105	S53-E93 WeakPolarHBondContact CA-OE2 3.17Å; S53-E93 WeakPolarHBondContact CB-OE1 3.26Å; L54-E93 PolarHBondContact N-OE2 3.02Å; N90-E93 HydrophobicContact CB-CB 4.31Å; N90-E93 HydrophobicContact CB-CG 4.05Å; N90-E93 WeakPolarHBondContact O-CB 3.37Å; N90-E93 PolarHBondContact O-N 2.89Å; N90-E93 PolarHBondContact OD1-N 3.07Å; L91-E93 VanDerWaalsContact C-N 3.27Å; L91-E93 PolarHBondContact O-N 3.42Å; E93-I95 PolarHBondContact O-N 3.28Å; E93-K96 PolarHBondContact O-N 3.3Å; E93-K96 VanDerWaalsContact O-N 3.09Å; E93-I97 PolarHBondContact O-N 2.96Å; E93-I105 HydrophobicContact CB-CD1 3.65Å
94	V	90.5	Very high	87.1	Confident	21 Å²	21	69.5 Å²	69.5	13%	0.127	36%	0.364	C	S	.	.	H	α-helix	trans	-58.5	-43.8	179	172.6	0	0	0	0	112.1	H89 N90 L91 K96 I97 F106 L162	H89-V94 HydrophobicContact CB-CG2 3.58Å; N90-V94 WeakPolarHBondContact O-CG2 3.29Å; N90-V94 PolarHBondContact O-N 3.24Å; L91-V94 PolarHBondContact O-N 2.97Å; V94-K96 PolarHBondContact O-N 3.43Å; V94-I97 WeakPolarHBondContact O-CB 3.39Å; V94-I97 PolarHBondContact O-N 3.13Å; V94-F106 HydrophobicContact CG1-CZ 4.24Å; V94-F106 HydrophobicContact CG2-CZ 4.35Å; V94-L162 HydrophobicContact CG1-CD1 4.18Å
95	I	88.3	Confident	86.8	Confident	118 Å²	118	66 Å²	66	61%	0.605	35%	0.351	S	S	*	.	H	α-helix	trans	-63.7	-29.1	179.2	-69.5	168.5	0	0	0	111.8	L91 E93 I97 S98	L91-I95 WeakPolarHBondContact O-CG1 3.32Å; L91-I95 PolarHBondContact O-N 3.46Å; E93-I95 PolarHBondContact O-N 3.28Å; I95-I97 VanDerWaalsContact C-N 3.33Å; I95-S98 PolarHBondContact O-OG 2.78Å
96	K	87	Confident	86.5	Confident	136 Å²	136	68.7 Å²	68.7	59%	0.591	36%	0.363	S	S	*	.	H	α-helix	trans	-79.3	-14	179.2	-65.6	174	-175.5	-179.1	0	113.6	H92 E93 V94 S98 D99	H92-K96 WeakPolarHBondContact O-CD 3.38Å; H92-K96 WeakPolarHBondContact O-CE 3.27Å; H92-K96 WeakPolarHBondContact O-CG 3.46Å; E93-K96 PolarHBondContact O-N 3.3Å; E93-K96 VanDerWaalsContact O-N 3.09Å; V94-K96 PolarHBondContact O-N 3.43Å; K96-S98 VanDerWaalsContact C-N 3.29Å; K96-S98 PolarHBondContact O-N 3.12Å; K96-D99 PolarHBondContact O-N 3.4Å
97	I	80.9	Confident	86.2	Confident	24 Å²	24	71.4 Å²	71.4	12%	0.123	38%	0.382	C	S	.	.	H	α-helix	trans	-64.2	-37.1	178.2	-64.1	172.4	0	0	0	110.7	E93 V94 I95 D99 T100 N101 T102 I105 F106	E93-I97 PolarHBondContact O-N 2.96Å; V94-I97 WeakPolarHBondContact O-CB 3.39Å; V94-I97 PolarHBondContact O-N 3.13Å; I95-I97 VanDerWaalsContact C-N 3.33Å; I97-D99 PolarHBondContact O-N 3.49Å; I97-D99 VanDerWaalsContact O-N 3.08Å; I97-T100 PolarHBondContact O-N 2.82Å; I97-T100 PolarHBondContact O-OG1 3.37Å; I97-N101 PolarHBondContact O-N 3.49Å; I97-N101 VanDerWaalsContact O-N 3.11Å; I97-T102 WeakPolarHBondContact CG2-O 3.31Å; I97-I105 HydrophobicContact CD1-CB 3.87Å; I97-I105 HydrophobicContact CD1-CD1 3.65Å; I97-I105 HydrophobicContact CD1-CG1 4.31Å; I97-I105 HydrophobicContact CD1-CG2 4.25Å; I97-I105 HydrophobicContact CG1-CD1 3.76Å; I97-F106 HydrophobicContact CD1-CD2 4.02Å; I97-F106 HydrophobicContact CD1-CE2 3.51Å; I97-F106 HydrophobicContact CD1-CZ 4.06Å
98	S	71.7	Confident	86.2	Confident	87 Å²	87	70.1 Å²	70.1	61%	0.608	37%	0.372	S	S	*	.	H	α-helix	trans	-58	-26.2	179.5	56.6	0	0	0	0	112.9	I95 K96	I95-S98 PolarHBondContact O-OG 2.78Å; K96-S98 VanDerWaalsContact C-N 3.29Å; K96-S98 PolarHBondContact O-N 3.12Å
99	D	70.9	Confident	86.1	Confident	130 Å²	130	70.1 Å²	70.1	70%	0.695	37%	0.373	S	S	*	.	H	α-helix	trans	-87.1	-19.5	-176.3	-54.4	-20.5	0	0	0	112.2	K96 I97	K96-D99 PolarHBondContact O-N 3.4Å; I97-D99 PolarHBondContact O-N 3.49Å; I97-D99 VanDerWaalsContact O-N 3.08Å
100	T	69	Low	86.1	Confident	84 Å²	84	70.6 Å²	70.6	52%	0.515	38%	0.378	S	S	.	.	H	α-helix	trans	-113.3	-16.6	-170.1	57.8	0	0	0	0	114.4	I97 T102	I97-T100 PolarHBondContact O-N 2.82Å; I97-T100 PolarHBondContact O-OG1 3.37Å; T100-T102 PolarHBondContact O-N 2.95Å; T100-T102 PolarHBondContact O-OG1 3.46Å; T100-T102 PolarHBondContact OG1-N 2.96Å
101	N	64.6	Low	86.2	Confident	158 Å²	158	72.9 Å²	72.9	85%	0.845	39%	0.388	S	S	*	.			trans	54.3	14.7	-168.5	-71.5	-36.5	0	0	0	114.3	I97	I97-N101 PolarHBondContact O-N 3.49Å; I97-N101 VanDerWaalsContact O-N 3.11Å
102	T	68.6	Low	86.5	Confident	71 Å²	71	68.9 Å²	68.9	44%	0.436	37%	0.367	S	S	.	.			trans	-90.4	114.1	-179.2	-60.2	0	0	0	0	110	I97 T100 E104	I97-T102 WeakPolarHBondContact CG2-O 3.31Å; T100-T102 PolarHBondContact O-N 2.95Å; T100-T102 PolarHBondContact O-OG1 3.46Å; T100-T102 PolarHBondContact OG1-N 2.96Å; T102-E104 HydrophobicContact CG2-CB 3.71Å; T102-E104 PolarHBondContact O-N 2.97Å
103	N	83.5	Confident	86.7	Confident	96 Å²	96	62.8 Å²	62.8	51%	0.513	34%	0.339	S	S	.	.			trans	-81.3	11.7	179.7	-161.9	26.1	0	0	0	114.2	I105 F106 S107	N103-I105 VanDerWaalsContact C-N 3.25Å; N103-I105 PolarHBondContact O-N 3.41Å; N103-I105 VanDerWaalsContact O-N 3.13Å; N103-F106 PolarHBondContact O-N 2.98Å; N103-F106 VanDerWaalsContact O-N 3.08Å; N103-F106 WeakPolarHBondContact OD1-CB 3.4Å; N103-F106 VanDerWaalsContact OD1-CD2 3.24Å; N103-F106 WeakPolarHBondContact OD1-CD2 3.42Å; N103-S107 PolarHBondContact O-N 2.91Å; N103-S107 PolarHBondContact O-OG 2.73Å; N103-S107 VanDerWaalsContact O-OG 3.13Å
104	E	91.2	Very high	86.9	Confident	73 Å²	73	66.3 Å²	66.3	34%	0.341	36%	0.356	S	S	.	.	H	α-helix	trans	-52.4	-42.5	-170	-173.2	-178.1	-174.8	0	0	112.1	L54 K58 T102 F106 S107 T108	L54-E104 HydrophobicContact CD1-CG 4Å; L54-E104 HydrophobicContact CD2-CG 4.26Å; K58-E104 WeakPolarHBondContact CE-OE1 3.43Å; K58-E104 IonicContact NZ-OE1 2.69Å; K58-E104 PolarHBondContact NZ-OE1 3.17Å; T102-E104 HydrophobicContact CG2-CB 3.71Å; T102-E104 PolarHBondContact O-N 2.97Å; E104-F106 PolarHBondContact O-N 3.49Å; E104-S107 VanDerWaalsContact CA-OG 3.3Å; E104-S107 WeakPolarHBondContact CA-OG 3.4Å; E104-S107 PolarHBondContact O-N 2.88Å; E104-S107 PolarHBondContact O-OG 3.39Å; E104-S107 VanDerWaalsContact O-OG 3.08Å; E104-T108 WeakPolarHBondContact O-CB 3.44Å; E104-T108 PolarHBondContact O-N 3.45Å; E104-T108 PolarHBondContact O-OG1 3.44Å
105	I	92.2	Very high	87.2	Confident	16 Å²	16	68.4 Å²	68.4	8%	0.082	36%	0.363	C	S	.	.	H	α-helix	trans	-59.5	-49.5	-179.9	-71.4	160.6	0	0	0	111.7	L54 M57 E93 I97 N103 A109	L54-I105 HydrophobicContact CB-CG1 4.27Å; M57-I105 HydrophobicContact CE-CG2 4.04Å; M57-I105 WeakPolarHBondContact CE-O 3.34Å; E93-I105 HydrophobicContact CB-CD1 3.65Å; I97-I105 HydrophobicContact CD1-CB 3.87Å; I97-I105 HydrophobicContact CD1-CD1 3.65Å; I97-I105 HydrophobicContact CD1-CG1 4.31Å; I97-I105 HydrophobicContact CD1-CG2 4.25Å; I97-I105 HydrophobicContact CG1-CD1 3.76Å; N103-I105 VanDerWaalsContact C-N 3.25Å; N103-I105 PolarHBondContact O-N 3.41Å; N103-I105 VanDerWaalsContact O-N 3.13Å; I105-A109 WeakPolarHBondContact O-CB 3.18Å; I105-A109 PolarHBondContact O-N 3.19Å; I105-A109 VanDerWaalsContact O-N 3.07Å
106	F	93.1	Very high	87.6	Confident	55 Å²	55	62.8 Å²	62.8	24%	0.241	34%	0.335	C	S	.	.	H	α-helix	trans	-79.6	-29.1	-177.9	-55.2	-66.5	0	0	0	112.6	H89 V94 I97 N103 E104 S110	H89-F106 AromaticContact CD2-CD1 3.83Å; H89-F106 AromaticContact CD2-CE1 3.62Å; H89-F106 AromaticContact NE2-CD1 3.71Å; V94-F106 HydrophobicContact CG1-CZ 4.24Å; V94-F106 HydrophobicContact CG2-CZ 4.35Å; I97-F106 HydrophobicContact CD1-CD2 4.02Å; I97-F106 HydrophobicContact CD1-CE2 3.51Å; I97-F106 HydrophobicContact CD1-CZ 4.06Å; N103-F106 PolarHBondContact O-N 2.98Å; N103-F106 VanDerWaalsContact O-N 3.08Å; N103-F106 WeakPolarHBondContact OD1-CB 3.4Å; N103-F106 VanDerWaalsContact OD1-CD2 3.24Å; N103-F106 WeakPolarHBondContact OD1-CD2 3.42Å; E104-F106 PolarHBondContact O-N 3.49Å; F106-S110 WeakPolarHBondContact O-CB 3.35Å; F106-S110 PolarHBondContact O-N 2.96Å; F106-S110 PolarHBondContact O-OG 2.88Å
107	S	93.8	Very high	87.9	Confident	57 Å²	57	58 Å²	58	40%	0.399	32%	0.32	S	S	.	.	H	α-helix	trans	-68.9	-43.3	172.8	60.2	0	0	0	0	111.4	N103 E104 A109 S110 E111	N103-S107 PolarHBondContact O-N 2.91Å; N103-S107 PolarHBondContact O-OG 2.73Å; N103-S107 VanDerWaalsContact O-OG 3.13Å; E104-S107 VanDerWaalsContact CA-OG 3.3Å; E104-S107 WeakPolarHBondContact CA-OG 3.4Å; E104-S107 PolarHBondContact O-N 2.88Å; E104-S107 PolarHBondContact O-OG 3.39Å; E104-S107 VanDerWaalsContact O-OG 3.08Å; S107-A109 VanDerWaalsContact C-N 3.31Å; S107-A109 PolarHBondContact O-N 3.22Å; S107-S110 PolarHBondContact O-N 3.04Å; S107-E111 WeakPolarHBondContact O-CB 3.42Å; S107-E111 PolarHBondContact O-N 2.77Å
108	T	96.3	Very high	88.4	Confident	10 Å²	10	63.7 Å²	63.7	6%	0.061	35%	0.346	C	S	.	.	H	α-helix	trans	-63.3	-39.1	174.3	-62.3	0	0	0	0	111.1	L54 M57 L61 E104 S110 E111 I112	L54-T108 HydrophobicContact CD1-CG2 4.29Å; M57-T108 HydrophobicContact CB-CG2 3.76Å; L61-T108 HydrophobicContact CD1-CG2 3.74Å; E104-T108 WeakPolarHBondContact O-CB 3.44Å; E104-T108 PolarHBondContact O-N 3.45Å; E104-T108 PolarHBondContact O-OG1 3.44Å; T108-S110 VanDerWaalsContact C-N 3.33Å; T108-S110 PolarHBondContact O-N 3.39Å; T108-E111 PolarHBondContact O-N 3.19Å; T108-I112 HydrophobicContact CG2-CD1 4.45Å; T108-I112 WeakPolarHBondContact O-CG1 3.38Å; T108-I112 PolarHBondContact O-N 3.48Å
109	A	96.9	Very high	89.4	Confident	1 Å²	1	60 Å²	60	1%	0.008	32%	0.319	C	S	.	.	H	α-helix	trans	-60.8	-43.1	173.8	0	0	0	0	0	112.3	M57 H89 I105 S107 I112 M113	M57-A109 HydrophobicContact SD-CB 3.88Å; H89-A109 VanDerWaalsContact CE1-CB 3.45Å; H89-A109 WeakPolarHBondContact CE1-CB 3.4Å; I105-A109 WeakPolarHBondContact O-CB 3.18Å; I105-A109 PolarHBondContact O-N 3.19Å; I105-A109 VanDerWaalsContact O-N 3.07Å; S107-A109 VanDerWaalsContact C-N 3.31Å; S107-A109 PolarHBondContact O-N 3.22Å; A109-I112 PolarHBondContact O-N 2.96Å; A109-M113 WeakPolarHBondContact O-CG 3.49Å; A109-M113 PolarHBondContact O-N 2.83Å
110	S	97	Very high	90.5	Very high	34 Å²	34	55 Å²	55	24%	0.238	29%	0.293	C	S	.	.	H	α-helix	trans	-67.6	-42.4	178.6	-55.4	0	0	0	0	111.1	F106 S107 T108 I112 M113 E114	F106-S110 WeakPolarHBondContact O-CB 3.35Å; F106-S110 PolarHBondContact O-N 2.96Å; F106-S110 PolarHBondContact O-OG 2.88Å; S107-S110 PolarHBondContact O-N 3.04Å; T108-S110 VanDerWaalsContact C-N 3.33Å; T108-S110 PolarHBondContact O-N 3.39Å; S110-I112 VanDerWaalsContact C-N 3.3Å; S110-I112 PolarHBondContact O-N 2.91Å; S110-M113 PolarHBondContact O-N 3.35Å; S110-E114 WeakPolarHBondContact O-CG 3.4Å; S110-E114 PolarHBondContact O-N 3.05Å
111	E	97.3	Very high	91.8	Very high	80 Å²	80	51.1 Å²	51.1	37%	0.374	27%	0.27	S	S	.	.	H	α-helix	trans	-55.8	-43.7	174.4	-176.1	-175.6	177.9	0	0	111.5	L61 S107 T108 M113 E114 K115	L61-E111 HydrophobicContact CD1-CG 4.47Å; L61-E111 HydrophobicContact CD2-CG 4.08Å; S107-E111 WeakPolarHBondContact O-CB 3.42Å; S107-E111 PolarHBondContact O-N 2.77Å; T108-E111 PolarHBondContact O-N 3.19Å; E111-M113 VanDerWaalsContact C-N 3.31Å; E111-M113 PolarHBondContact O-N 2.97Å; E111-E114 PolarHBondContact O-N 3.19Å; E111-K115 HydrophobicContact CG-CG 4.28Å; E111-K115 WeakPolarHBondContact O-CB 3.16Å; E111-K115 WeakPolarHBondContact O-CG 3.26Å; E111-K115 PolarHBondContact O-N 2.91Å
112	I	98.3	Very high	93.4	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-57.6	-45.2	175.5	-71.2	160.4	0	0	0	111.2	M57 L60 L61 L64 T108 A109 S110 K115 L116 L138	M57-I112 HydrophobicContact CB-CD1 3.59Å; M57-I112 HydrophobicContact CG-CD1 3.72Å; M57-I112 HydrophobicContact SD-CD1 4.19Å; L60-I112 HydrophobicContact CD2-CD1 4.07Å; L60-I112 HydrophobicContact CD2-CG2 3.89Å; L60-I112 HydrophobicContact CG-CD1 4.45Å; L60-I112 HydrophobicContact CG-CG2 4.43Å; L61-I112 HydrophobicContact CD1-CG1 4.35Å; L61-I112 HydrophobicContact CD2-CB 4.48Å; L61-I112 HydrophobicContact CD2-CG1 3.6Å; L61-I112 HydrophobicContact CG-CD1 4.36Å; L61-I112 HydrophobicContact CG-CG1 3.67Å; L64-I112 HydrophobicContact CD1-CG2 4.43Å; T108-I112 HydrophobicContact CG2-CD1 4.45Å; T108-I112 WeakPolarHBondContact O-CG1 3.38Å; T108-I112 PolarHBondContact O-N 3.48Å; A109-I112 PolarHBondContact O-N 2.96Å; S110-I112 VanDerWaalsContact C-N 3.3Å; S110-I112 PolarHBondContact O-N 2.91Å; I112-K115 PolarHBondContact O-N 3.38Å; I112-L116 HydrophobicContact CG2-CD1 4.28Å; I112-L116 WeakPolarHBondContact O-CG 3.3Å; I112-L116 PolarHBondContact O-N 2.87Å; I112-L138 HydrophobicContact CG2-CD1 4.4Å
113	M	98	Very high	94.9	Very high	17 Å²	17	40.9 Å²	40.9	8%	0.084	21%	0.213	C	C	.	.	H	α-helix	trans	-68.8	-38.4	-179.1	-53.3	-51.3	162	0	0	112	A109 S110 E111 L116 A117 Q137 L138 A141	A109-M113 WeakPolarHBondContact O-CG 3.49Å; A109-M113 PolarHBondContact O-N 2.83Å; S110-M113 PolarHBondContact O-N 3.35Å; E111-M113 VanDerWaalsContact C-N 3.31Å; E111-M113 PolarHBondContact O-N 2.97Å; M113-L116 PolarHBondContact O-N 3.48Å; M113-L116 HydrophobicContact SD-CD1 4.47Å; M113-A117 PolarHBondContact O-N 2.83Å; M113-Q137 HydrophobicContact CE-CB 4.2Å; M113-Q137 HydrophobicContact CE-CG 3.75Å; M113-Q137 HydrophobicContact CG-CG 4.02Å; M113-Q137 HydrophobicContact SD-CG 4.06Å; M113-L138 HydrophobicContact CE-CB 4Å; M113-L138 HydrophobicContact CE-CD1 4.15Å; M113-L138 HydrophobicContact SD-CD1 4.09Å; M113-A141 HydrophobicContact CB-CB 4.05Å; M113-A141 HydrophobicContact CG-CB 4.12Å; M113-A141 HydrophobicContact SD-CB 3.41Å; M113-A141 WeakPolarHBondContact SD-CB 3.41Å
114	E	95.7	Very high	95.6	Very high	121 Å²	121	36.3 Å²	36.3	57%	0.565	19%	0.188	S	C	*	.	H	α-helix	trans	-63.8	-44.6	174.3	-71	171.3	-174	0	0	111	S110 E111 L116 A117 E118	S110-E114 WeakPolarHBondContact O-CG 3.4Å; S110-E114 PolarHBondContact O-N 3.05Å; E111-E114 PolarHBondContact O-N 3.19Å; E114-L116 VanDerWaalsContact C-N 3.3Å; E114-L116 PolarHBondContact O-N 2.8Å; E114-A117 WeakPolarHBondContact O-CB 3.43Å; E114-A117 PolarHBondContact O-N 2.87Å; E114-A117 VanDerWaalsContact O-N 3.13Å; E114-E118 WeakPolarHBondContact O-CG 3.34Å; E114-E118 PolarHBondContact O-N 2.93Å
115	K	95.9	Very high	96	Very high	64 Å²	64	32.8 Å²	32.8	28%	0.278	17%	0.172	S	C	.	.	H	α-helix	trans	-62	-36.8	175.3	-70	-66.7	177.5	-163.9	0	112.5	L61 E111 I112 F119	L61-K115 HydrophobicContact CD2-CG 4.2Å; E111-K115 HydrophobicContact CG-CG 4.28Å; E111-K115 WeakPolarHBondContact O-CB 3.16Å; E111-K115 WeakPolarHBondContact O-CG 3.26Å; E111-K115 PolarHBondContact O-N 2.91Å; I112-K115 PolarHBondContact O-N 3.38Å; K115-F119 WeakPolarHBondContact O-CA 3.25Å; K115-F119 WeakPolarHBondContact O-CB 3.3Å; K115-F119 PolarHBondContact O-N 2.53Å
116	L	96.8	Very high	96.3	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-65.3	-44.8	172.7	-74.5	172.2	0	0	0	111	L64 L76 I78 I112 M113 E114 E118 F119 L138 A141 R233	L64-L116 HydrophobicContact CD1-CD2 4.48Å; L64-L116 HydrophobicContact CD2-CD2 4.12Å; L76-L116 HydrophobicContact CD2-CD2 4.35Å; I78-L116 HydrophobicContact CD1-CD1 4.48Å; I78-L116 HydrophobicContact CD1-CD2 4.05Å; I112-L116 HydrophobicContact CG2-CD1 4.28Å; I112-L116 WeakPolarHBondContact O-CG 3.3Å; I112-L116 PolarHBondContact O-N 2.87Å; M113-L116 PolarHBondContact O-N 3.48Å; M113-L116 HydrophobicContact SD-CD1 4.47Å; E114-L116 VanDerWaalsContact C-N 3.3Å; E114-L116 PolarHBondContact O-N 2.8Å; L116-E118 VanDerWaalsContact C-N 3.31Å; L116-E118 PolarHBondContact O-N 3.14Å; L116-F119 VanDerWaalsContact O-CB 3.3Å; L116-F119 WeakPolarHBondContact O-CB 3.12Å; L116-F119 PolarHBondContact O-N 3.38Å; L116-L138 HydrophobicContact CD1-CD1 3.54Å; L116-A141 HydrophobicContact CD1-CB 4.44Å; L116-R233 PolarHBondContact O-NH2 3.33Å
117	A	93.1	Very high	96.6	Very high	34 Å²	34	29.7 Å²	29.7	28%	0.281	16%	0.158	S	C	.	.	H	α-helix	trans	-61	-39	176.1	0	0	0	0	0	112.4	M113 E114 F119 R233	M113-A117 PolarHBondContact O-N 2.83Å; E114-A117 WeakPolarHBondContact O-CB 3.43Å; E114-A117 PolarHBondContact O-N 2.87Å; E114-A117 VanDerWaalsContact O-N 3.13Å; A117-F119 VanDerWaalsContact C-N 3.34Å; A117-F119 PolarHBondContact O-N 2.76Å; A117-R233 PolarHBondContact O-NH1 3.34Å; A117-R233 PolarHBondContact O-NH2 3.44Å
118	E	91.6	Very high	96.8	Very high	145 Å²	145	28.4 Å²	28.4	68%	0.678	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	2.7	179.6	-64.7	-179	172.8	0	0	114.4	E114 L116	E114-E118 WeakPolarHBondContact O-CG 3.34Å; E114-E118 PolarHBondContact O-N 2.93Å; L116-E118 VanDerWaalsContact C-N 3.31Å; L116-E118 PolarHBondContact O-N 3.14Å
119	F	94.5	Very high	96.9	Very high	10 Å²	10	28 Å²	28	4%	0.044	15%	0.145	C	C	.	.			trans	-65.9	140.7	-170.5	-146.3	-119.7	0	0	0	112.5	L64 I67 K68 L76 K115 L116 A117 I121 R233	L64-F119 HydrophobicContact CB-CE2 4.04Å; L64-F119 HydrophobicContact CB-CZ 4.49Å; L64-F119 HydrophobicContact CD2-CE2 4.13Å; L64-F119 HydrophobicContact CD2-CZ 4.11Å; L64-F119 VanDerWaalsContact O-CE2 3.29Å; L64-F119 WeakPolarHBondContact O-CE2 3.5Å; L64-F119 WeakPolarHBondContact O-CZ 3.48Å; I67-F119 HydrophobicContact CB-CE1 4.48Å; I67-F119 HydrophobicContact CB-CZ 3.93Å; I67-F119 HydrophobicContact CG2-CE1 3.84Å; I67-F119 HydrophobicContact CG2-CZ 3.78Å; K68-F119 HydrophobicContact CB-CE2 4Å; K68-F119 HydrophobicContact CB-CZ 4.32Å; L76-F119 HydrophobicContact CD2-CD1 4.44Å; L76-F119 HydrophobicContact CD2-CE1 4.02Å; K115-F119 WeakPolarHBondContact O-CA 3.25Å; K115-F119 WeakPolarHBondContact O-CB 3.3Å; K115-F119 PolarHBondContact O-N 2.53Å; L116-F119 VanDerWaalsContact O-CB 3.3Å; L116-F119 WeakPolarHBondContact O-CB 3.12Å; L116-F119 PolarHBondContact O-N 3.38Å; A117-F119 VanDerWaalsContact C-N 3.34Å; A117-F119 PolarHBondContact O-N 2.76Å; F119-I121 HydrophobicContact CD1-CD1 4.36Å; F119-I121 HydrophobicContact CD1-CG1 3.47Å; F119-I121 VanDerWaalsContact CD1-CG1 3.47Å; F119-I121 HydrophobicContact CE1-CD1 3.88Å; F119-I121 HydrophobicContact CE1-CG1 3.47Å; F119-I121 VanDerWaalsContact CE1-CG1 3.47Å; F119-I121 PolarHBondContact O-N 3.44Å; F119-I121 VanDerWaalsContact O-N 3.14Å; F119-R233 VanDerWaalsContact O-CZ 3.29Å; F119-R233 PolarHBondContact O-NH1 2.83Å
120	P	93.8	Very high	97	Very high	23 Å²	23	29.1 Å²	29.1	15%	0.149	15%	0.152	C	C	.	.	S	Bend	trans	-68.7	-15.9	-176.6	27.5	-36.2	0	0	0	113.7	K68 Q230	K68-P120 HydrophobicContact CB-CG 4.48Å; K68-P120 HydrophobicContact CG-CG 3.97Å; P120-Q230 HydrophobicContact CB-CG 4.27Å; P120-Q230 VanDerWaalsContact O-CB 3.3Å; P120-Q230 WeakPolarHBondContact O-CB 3.41Å; P120-Q230 VanDerWaalsContact O-CG 3.25Å; P120-Q230 WeakPolarHBondContact O-CG 3.22Å
121	I	96.5	Very high	97.1	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.021	14%	0.141	C	C	.	.	S	Bend	trans	-127.2	153.4	-177.8	60.8	173.5	0	0	0	111.4	I67 I73 L76 F119	I67-I121 HydrophobicContact CG2-CD1 3.87Å; I73-I121 HydrophobicContact CB-CD1 4.28Å; I73-I121 HydrophobicContact CG2-CD1 3.46Å; I73-I121 VanDerWaalsContact CG2-CD1 3.46Å; L76-I121 HydrophobicContact CB-CD1 4.25Å; F119-I121 HydrophobicContact CD1-CD1 4.36Å; F119-I121 HydrophobicContact CD1-CG1 3.47Å; F119-I121 VanDerWaalsContact CD1-CG1 3.47Å; F119-I121 HydrophobicContact CE1-CD1 3.88Å; F119-I121 HydrophobicContact CE1-CG1 3.47Å; F119-I121 VanDerWaalsContact CE1-CG1 3.47Å; F119-I121 PolarHBondContact O-N 3.44Å; F119-I121 VanDerWaalsContact O-N 3.14Å
122	P	97.9	Very high	97.2	Very high	13 Å²	13	24.9 Å²	24.9	8%	0.084	13%	0.13	C	C	.	.			trans	-61.6	142.7	175.8	-26.8	38.1	0	0	0	113.5	L76 D143 I221 V229	L76-P122 PolarHBondContact N-O 3.08Å; P122-D143 WeakPolarHBondContact CA-OD2 3.49Å; P122-I221 HydrophobicContact CB-CD1 3.91Å; P122-I221 HydrophobicContact CB-CG2 4.26Å; P122-I221 HydrophobicContact CG-CD1 4.5Å; P122-I221 HydrophobicContact CG-CG2 3.79Å; P122-V229 HydrophobicContact CG-CG1 3.42Å; P122-V229 VanDerWaalsContact CG-CG1 3.42Å
123	S	98.6	Very high	97.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	137.7	176.1	55.8	0	0	0	0	111.5	L76 C142 D143 L144	L76-S123 CarbonylContact O-C 3.54Å; L76-S123 WeakPolarHBondContact O-CA 3.45Å; S123-C142 WeakPolarHBondContact OG-CA 3.22Å; S123-D143 PolarHBondContact N-OD2 3.25Å; S123-D143 PolarHBondContact O-N 3.44Å; S123-D143 VanDerWaalsContact O-N 3.16Å; S123-D143 PolarHBondContact OG-N 3.12Å; S123-D143 VanDerWaalsContact OG-N 3.07Å; S123-D143 PolarHBondContact OG-OD2 2.89Å; S123-L144 PolarHBondContact O-N 3.4Å
124	I	98.9	Very high	97.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	118.2	178.5	-50.2	179.6	0	0	0	108.8	L76 V77 I78 S126 L144 I146 F217 A218 I221	L76-I124 PolarHBondContact O-N 3.21Å; V77-I124 CarbonylContact C-O 3.37Å; V77-I124 WeakPolarHBondContact CA-O 3.39Å; V77-I124 HydrophobicContact CG2-CB 4.37Å; V77-I124 HydrophobicContact CG2-CD1 4.48Å; I78-I124 PolarHBondContact N-O 2.78Å; I124-S126 PolarHBondContact O-N 2.85Å; I124-L144 CarbonylContact C-O 3.59Å; I124-L144 VanDerWaalsContact CA-O 3.3Å; I124-L144 WeakPolarHBondContact CA-O 3.46Å; I124-L144 HydrophobicContact CG1-CB 4.19Å; I124-L144 HydrophobicContact CG1-CD1 4.42Å; I124-L144 HydrophobicContact CG2-CB 4.43Å; I124-I146 HydrophobicContact CG2-CG2 4.09Å; I124-F217 HydrophobicContact CD1-CD1 4.41Å; I124-F217 HydrophobicContact CD1-CG 4.39Å; I124-F217 HydrophobicContact CG2-CD1 4.13Å; I124-A218 HydrophobicContact CD1-CB 3.89Å; I124-I221 HydrophobicContact CD1-CD1 3.86Å; I124-I221 HydrophobicContact CG1-CD1 4.26Å
125	A	98.9	Very high	97.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	112.5	166.3	0	0	0	0	0	109.8	F85 V127 V139 C142 L144 A145 I146	F85-A125 HydrophobicContact CZ-CB 4.46Å; A125-V127 HydrophobicContact CB-CG2 4.03Å; A125-V139 HydrophobicContact CB-CB 4.33Å; A125-V139 HydrophobicContact CB-CG1 4.11Å; A125-V139 HydrophobicContact CB-CG2 4.26Å; A125-C142 HydrophobicContact CB-CB 4.03Å; A125-L144 PolarHBondContact N-O 2.59Å; A125-A145 HydrophobicContact CB-CB 3.95Å; A125-A145 CarbonylContact O-C 3.51Å; A125-A145 VanDerWaalsContact O-CA 3.26Å; A125-A145 WeakPolarHBondContact O-CA 3.46Å; A125-I146 PolarHBondContact O-N 3.25Å; A125-I146 VanDerWaalsContact O-O 3.07Å
126	S	98.9	Very high	97.4	Very high	5 Å²	5	15.5 Å²	15.5	4%	0.035	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	92.4	170.7	171.5	0	0	0	0	108.7	I78 T79 I124 N128 S214	I78-S126 PolarHBondContact O-N 3.37Å; T79-S126 WeakPolarHBondContact CA-O 3.36Å; T79-S126 WeakPolarHBondContact CB-O 3.4Å; T79-S126 PolarHBondContact OG1-O 2.78Å; T79-S126 VanDerWaalsContact OG1-O 3.08Å; I124-S126 PolarHBondContact O-N 2.85Å; S126-N128 PolarHBondContact O-N 2.8Å; S126-S214 VanDerWaalsContact CB-OG 3.22Å; S126-S214 WeakPolarHBondContact CB-OG 3.34Å; S126-S214 PolarHBondContact OG-OG 3.22Å
127	V	98.9	Very high	97.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	94.1	-167.2	-169.9	0	0	0	0	110.6	F85 A125 G129 A131 V139 I146 A148 A151 F153 L210	F85-V127 HydrophobicContact CB-CG1 3.87Å; F85-V127 HydrophobicContact CD2-CG1 4.42Å; F85-V127 HydrophobicContact CD2-CG2 4.49Å; F85-V127 HydrophobicContact CG-CG1 4.08Å; A125-V127 HydrophobicContact CB-CG2 4.03Å; V127-G129 VanDerWaalsContact C-N 3.32Å; V127-G129 VanDerWaalsContact CG1-O 3.29Å; V127-G129 WeakPolarHBondContact CG1-O 3.42Å; V127-G129 PolarHBondContact O-N 2.94Å; V127-A131 HydrophobicContact CG1-CB 4.16Å; V127-V139 HydrophobicContact CG2-CG1 4.04Å; V127-V139 HydrophobicContact CG2-CG2 3.65Å; V127-I146 PolarHBondContact N-O 2.97Å; V127-A148 WeakPolarHBondContact O-CB 3.38Å; V127-A148 PolarHBondContact O-N 3.21Å; V127-A151 HydrophobicContact CG1-CB 4.04Å; V127-F153 HydrophobicContact CB-CE1 4.27Å; V127-F153 HydrophobicContact CB-CZ 4.09Å; V127-F153 HydrophobicContact CG1-CE1 3.73Å; V127-F153 HydrophobicContact CG1-CZ 3.71Å; V127-F153 HydrophobicContact CG2-CE1 4.03Å; V127-F153 HydrophobicContact CG2-CZ 4.21Å; V127-L210 WeakPolarHBondContact O-CD2 3.49Å
128	N	98.8	Very high	97.7	Very high	30 Å²	30	14 Å²	14	16%	0.16	8%	0.076	C	C	.	.			trans	-79.6	-3.7	-176.4	64.7	-67.2	0	0	0	115.5	T79 G80 G82 Y84 F85 S126 L210	T79-N128 PolarHBondContact OG1-OD1 3.15Å; G80-N128 WeakPolarHBondContact CA-OD1 3.46Å; G80-N128 PolarHBondContact N-OD1 3.19Å; G80-N128 VanDerWaalsContact O-CG 3.3Å; G80-N128 PolarHBondContact O-ND2 2.93Å; G80-N128 VanDerWaalsContact O-ND2 3.1Å; G80-N128 PolarHBondContact O-OD1 2.89Å; G82-N128 PolarHBondContact O-ND2 2.9Å; Y84-N128 PolarHBondContact O-ND2 2.77Å; Y84-N128 VanDerWaalsContact O-ND2 3.1Å; F85-N128 WeakPolarHBondContact CA-OD1 3.36Å; S126-N128 PolarHBondContact O-N 2.8Å; N128-L210 HydrophobicContact CB-CD2 3.74Å
129	G	98.8	Very high	98.1	Very high	2 Å²	2	7.2 Å²	7.2	2%	0.021	4%	0.044	C	C	.	.	S	Bend	trans	176.2	-163.6	-175.4	0	0	0	0	0	111.3	V127 A131 A151	V127-G129 VanDerWaalsContact C-N 3.32Å; V127-G129 VanDerWaalsContact CG1-O 3.29Å; V127-G129 WeakPolarHBondContact CG1-O 3.42Å; V127-G129 PolarHBondContact O-N 2.94Å; G129-A131 PolarHBondContact O-N 3.24Å; G129-A151 WeakPolarHBondContact O-CB 3.38Å
130	P	98.8	Very high	98.3	Very high	24 Å²	24	7.4 Å²	7.4	16%	0.156	5%	0.047	C	C	.	.			trans	-54.9	131.3	-175.2	-25	33	0	0	0	113.4	R83 Y84 F85 S86 V132 I152	R83-P130 WeakPolarHBondContact O-CD 3.39Å; Y84-P130 HydrophobicContact CD1-CB 3.63Å; Y84-P130 HydrophobicContact CD1-CG 3.87Å; Y84-P130 HydrophobicContact CE1-CB 3.69Å; Y84-P130 HydrophobicContact CE1-CG 3.76Å; Y84-P130 HydrophobicContact CG-CG 4.49Å; F85-P130 PolarHBondContact N-O 3.29Å; F85-P130 VanDerWaalsContact N-O 3.09Å; S86-P130 PolarHBondContact N-O 3.18Å; P130-V132 HydrophobicContact CB-CG2 4.28Å; P130-I152 WeakPolarHBondContact CA-O 3.3Å; P130-I152 HydrophobicContact CB-CD1 4.23Å; P130-I152 HydrophobicContact CB-CG1 3.67Å; P130-I152 HydrophobicContact CG-CD1 4.37Å; P130-I152 HydrophobicContact CG-CG1 3.92Å
131	A	98.9	Very high	98.5	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	105.1	173.2	0	0	0	0	0	108.8	F85 S86 V127 G129 C136 V139 I152 F153 S154	F85-A131 HydrophobicContact CB-CB 4.27Å; F85-A131 HydrophobicContact CD1-CB 3.78Å; F85-A131 HydrophobicContact CG-CB 4.37Å; S86-A131 WeakPolarHBondContact O-CA 3.32Å; V127-A131 HydrophobicContact CG1-CB 4.16Å; G129-A131 PolarHBondContact O-N 3.24Å; A131-C136 WeakPolarHBondContact O-CB 3.24Å; A131-V139 HydrophobicContact CB-CG2 3.87Å; A131-I152 PolarHBondContact N-O 3.16Å; A131-F153 HydrophobicContact CB-CD1 3.91Å; A131-F153 HydrophobicContact CB-CE1 4.15Å; A131-F153 WeakPolarHBondContact O-CA 3.33Å; A131-S154 PolarHBondContact O-N 3.07Å; A131-S154 VanDerWaalsContact O-N 3.11Å
132	V	98.6	Very high	98.6	Very high	26 Å²	26	7.5 Å²	7.5	16%	0.158	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	134.9	-167.1	177.9	0	0	0	0	110.6	S86 S87 G88 P130 G134 G135 S154 S156	S86-V132 PolarHBondContact O-N 3.16Å; S87-V132 CarbonylContact C-O 3.56Å; G88-V132 VanDerWaalsContact CA-O 3.28Å; G88-V132 WeakPolarHBondContact CA-O 3.3Å; G88-V132 PolarHBondContact N-O 3.18Å; G88-V132 VanDerWaalsContact N-O 3.15Å; P130-V132 HydrophobicContact CB-CG2 4.28Å; V132-G134 PolarHBondContact O-N 3.06Å; V132-G135 WeakPolarHBondContact O-CA 3.29Å; V132-G135 PolarHBondContact O-N 3.17Å; V132-S154 CarbonylContact C-O 3.56Å; V132-S156 WeakPolarHBondContact CG1-OG 3.39Å
133	A	97.5	Very high	98.6	Very high	7 Å²	7	8.9 Å²	8.9	6%	0.058	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	-111.2	177.6	0	0	0	0	0	111.9	G135 C136 Q137 S154 S157	A133-G135 PolarHBondContact O-N 3.09Å; A133-C136 WeakPolarHBondContact O-CB 3.37Å; A133-C136 PolarHBondContact O-N 3.4Å; A133-Q137 PolarHBondContact O-N 3.11Å; A133-S154 PolarHBondContact N-O 3.16Å; A133-S157 WeakPolarHBondContact CB-OG 3.36Å
134	G	98	Very high	98.6	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-60.4	-27.4	175.3	0	0	0	0	0	114	V132 Q137 L138	V132-G134 PolarHBondContact O-N 3.06Å; G134-Q137 WeakPolarHBondContact O-CB 3.19Å; G134-Q137 PolarHBondContact O-N 3.26Å; G134-L138 PolarHBondContact O-N 3.1Å
135	G	98.6	Very high	98.6	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-67.5	-40.8	171	0	0	0	0	0	112.3	F85 V132 A133 Q137 L138 V139	F85-G135 WeakPolarHBondContact CE1-O 3.32Å; V132-G135 WeakPolarHBondContact O-CA 3.29Å; V132-G135 PolarHBondContact O-N 3.17Å; A133-G135 PolarHBondContact O-N 3.09Å; G135-Q137 VanDerWaalsContact C-N 3.35Å; G135-L138 WeakPolarHBondContact O-CB 3.25Å; G135-L138 PolarHBondContact O-N 3.08Å; G135-V139 PolarHBondContact O-N 3.25Å
136	C	98.7	Very high	98.6	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-67.9	-36	174.2	-163	0	0	0	0	111.6	A131 A133 L138 V139 A140 S154	A131-C136 WeakPolarHBondContact O-CB 3.24Å; A133-C136 WeakPolarHBondContact O-CB 3.37Å; A133-C136 PolarHBondContact O-N 3.4Å; C136-L138 VanDerWaalsContact C-N 3.33Å; C136-L138 PolarHBondContact O-N 3.49Å; C136-V139 PolarHBondContact O-N 3.04Å; C136-A140 WeakPolarHBondContact O-CB 3.25Å; C136-A140 PolarHBondContact O-N 2.93Å; C136-S154 WeakPolarHBondContact CB-O 3.45Å
137	Q	98.7	Very high	98.6	Very high	4 Å²	4	10.4 Å²	10.4	2%	0.019	7%	0.065	C	C	.	.	H	α-helix	trans	-57.2	-45.3	170.8	-175	-178.2	-4.4	0	0	111.7	M113 A133 G134 G135 V139 A140 A141 T166 P167	M113-Q137 HydrophobicContact CE-CB 4.2Å; M113-Q137 HydrophobicContact CE-CG 3.75Å; M113-Q137 HydrophobicContact CG-CG 4.02Å; M113-Q137 HydrophobicContact SD-CG 4.06Å; A133-Q137 PolarHBondContact O-N 3.11Å; G134-Q137 WeakPolarHBondContact O-CB 3.19Å; G134-Q137 PolarHBondContact O-N 3.26Å; G135-Q137 VanDerWaalsContact C-N 3.35Å; Q137-V139 VanDerWaalsContact C-N 3.34Å; Q137-V139 PolarHBondContact O-N 3.34Å; Q137-A140 PolarHBondContact O-N 3.1Å; Q137-A141 WeakPolarHBondContact O-CB 3.46Å; Q137-A141 PolarHBondContact O-N 2.92Å; Q137-T166 PolarHBondContact NE2-O 2.94Å; Q137-P167 HydrophobicContact CB-CB 3.85Å; Q137-P167 HydrophobicContact CB-CG 4.05Å; Q137-P167 HydrophobicContact CG-CB 4.43Å
138	L	98.8	Very high	98.6	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-62.6	-40.8	179.4	-177.6	59.9	0	0	0	111.8	L43 I78 F85 I112 M113 L116 G134 G135 C136 A141 C142	L43-L138 HydrophobicContact CD1-CD2 4.03Å; I78-L138 HydrophobicContact CG2-CD2 4.31Å; F85-L138 HydrophobicContact CE1-CB 4.21Å; F85-L138 HydrophobicContact CE1-CD2 3.99Å; F85-L138 HydrophobicContact CE1-CG 4.21Å; F85-L138 HydrophobicContact CZ-CD2 3.92Å; F85-L138 HydrophobicContact CZ-CG 4.15Å; I112-L138 HydrophobicContact CG2-CD1 4.4Å; M113-L138 HydrophobicContact CE-CB 4Å; M113-L138 HydrophobicContact CE-CD1 4.15Å; M113-L138 HydrophobicContact SD-CD1 4.09Å; L116-L138 HydrophobicContact CD1-CD1 3.54Å; G134-L138 PolarHBondContact O-N 3.1Å; G135-L138 WeakPolarHBondContact O-CB 3.25Å; G135-L138 PolarHBondContact O-N 3.08Å; C136-L138 VanDerWaalsContact C-N 3.33Å; C136-L138 PolarHBondContact O-N 3.49Å; L138-A141 PolarHBondContact O-N 3.35Å; L138-C142 PolarHBondContact O-N 3.25Å; L138-C142 PolarHBondContact O-SG 3.24Å
139	V	98.9	Very high	98.6	Very high	2 Å²	2	13 Å²	13	1%	0.012	7%	0.074	C	C	.	.	H	α-helix	trans	-60.1	-51.8	172.8	177.9	0	0	0	0	110.4	F85 A125 V127 A131 G135 C136 Q137 A141 C142 A145 F153 L200 V201	F85-V139 HydrophobicContact CD1-CG2 3.86Å; F85-V139 HydrophobicContact CE1-CG2 3.49Å; F85-V139 VanDerWaalsContact CE1-CG2 3.49Å; F85-V139 HydrophobicContact CZ-CG2 3.99Å; A125-V139 HydrophobicContact CB-CB 4.33Å; A125-V139 HydrophobicContact CB-CG1 4.11Å; A125-V139 HydrophobicContact CB-CG2 4.26Å; V127-V139 HydrophobicContact CG2-CG1 4.04Å; V127-V139 HydrophobicContact CG2-CG2 3.65Å; A131-V139 HydrophobicContact CB-CG2 3.87Å; G135-V139 PolarHBondContact O-N 3.25Å; C136-V139 PolarHBondContact O-N 3.04Å; Q137-V139 VanDerWaalsContact C-N 3.34Å; Q137-V139 PolarHBondContact O-N 3.34Å; V139-A141 PolarHBondContact O-N 3.03Å; V139-C142 PolarHBondContact O-N 3Å; V139-C142 VanDerWaalsContact O-N 3.16Å; V139-A145 HydrophobicContact CG1-CB 3.94Å; V139-F153 HydrophobicContact CB-CE1 4.48Å; V139-F153 HydrophobicContact CG1-CD1 4.49Å; V139-F153 HydrophobicContact CG1-CE1 3.95Å; V139-F153 HydrophobicContact CG2-CE1 4.16Å; V139-L200 HydrophobicContact CG1-CD1 4.45Å; V139-L200 HydrophobicContact CG1-CG 4.5Å; V139-V201 HydrophobicContact CG1-CG1 4.47Å
140	A	98.7	Very high	98.6	Very high	13 Å²	13	16.3 Å²	16.3	11%	0.107	10%	0.097	C	C	.	.	H	α-helix	trans	-67.8	-16.2	-177.1	0	0	0	0	0	114.1	C136 Q137 L171 A174 L200	C136-A140 WeakPolarHBondContact O-CB 3.25Å; C136-A140 PolarHBondContact O-N 2.93Å; Q137-A140 PolarHBondContact O-N 3.1Å; A140-L171 HydrophobicContact CB-CD2 4.12Å; A140-L171 HydrophobicContact CB-CG 4.46Å; A140-A174 HydrophobicContact CB-CB 4.07Å; A140-L200 HydrophobicContact CB-CD1 3.84Å
141	A	98.3	Very high	98.6	Very high	17 Å²	17	15.2 Å²	15.2	14%	0.14	9%	0.09	C	C	.	.	H	α-helix	trans	-90.3	-17	176.2	0	0	0	0	0	113.4	M113 L116 Q137 L138 V139	M113-A141 HydrophobicContact CB-CB 4.05Å; M113-A141 HydrophobicContact CG-CB 4.12Å; M113-A141 HydrophobicContact SD-CB 3.41Å; M113-A141 WeakPolarHBondContact SD-CB 3.41Å; L116-A141 HydrophobicContact CD1-CB 4.44Å; Q137-A141 WeakPolarHBondContact O-CB 3.46Å; Q137-A141 PolarHBondContact O-N 2.92Å; L138-A141 PolarHBondContact O-N 3.35Å; V139-A141 PolarHBondContact O-N 3.03Å
142	C	98.6	Very high	98.6	Very high	13 Å²	13	18.4 Å²	18.4	9%	0.088	11%	0.106	C	C	.	.	S	Bend	trans	-71.9	152.3	172.6	-66.4	0	0	0	0	110.3	S123 A125 L138 V139 L144	S123-C142 WeakPolarHBondContact OG-CA 3.22Å; A125-C142 HydrophobicContact CB-CB 4.03Å; L138-C142 PolarHBondContact O-N 3.25Å; L138-C142 PolarHBondContact O-SG 3.24Å; V139-C142 PolarHBondContact O-N 3Å; V139-C142 VanDerWaalsContact O-N 3.16Å; C142-L144 VanDerWaalsContact C-N 3.31Å; C142-L144 WeakPolarHBondContact CB-O 3.31Å; C142-L144 PolarHBondContact O-N 3.09Å
143	D	98.1	Very high	98.6	Very high	41 Å²	41	17.1 Å²	17.1	22%	0.219	10%	0.099	C	C	.	.	S	Bend	trans	-65.5	-39.2	178.7	-59.1	-71.3	0	0	0	111.4	P122 S123 R233 H237	P122-D143 WeakPolarHBondContact CA-OD2 3.49Å; S123-D143 PolarHBondContact N-OD2 3.25Å; S123-D143 PolarHBondContact O-N 3.44Å; S123-D143 VanDerWaalsContact O-N 3.16Å; S123-D143 PolarHBondContact OG-N 3.12Å; S123-D143 VanDerWaalsContact OG-N 3.07Å; S123-D143 PolarHBondContact OG-OD2 2.89Å; D143-R233 VanDerWaalsContact CG-NE 3.35Å; D143-R233 VanDerWaalsContact CG-NH2 3.28Å; D143-R233 IonicContact OD1-CZ 3.35Å; D143-R233 IonicContact OD1-NE 3.16Å; D143-R233 PolarHBondContact OD1-NE 3.37Å; D143-R233 VanDerWaalsContact OD1-NE 3.16Å; D143-R233 IonicContact OD1-NH2 2.87Å; D143-R233 PolarHBondContact OD1-NH2 2.87Å; D143-R233 IonicContact OD2-CZ 3.35Å; D143-R233 IonicContact OD2-NE 2.91Å; D143-R233 PolarHBondContact OD2-NE 3Å; D143-R233 IonicContact OD2-NH2 2.9Å; D143-R233 PolarHBondContact OD2-NH2 3.34Å; D143-H237 IonicContact OD1-CE1 3.74Å; D143-H237 IonicContact OD1-NE2 2.95Å; D143-H237 PolarHBondContact OD1-NE2 3.23Å
144	L	98.6	Very high	98.7	Very high	37 Å²	37	17.1 Å²	17.1	19%	0.194	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	162.4	-179.3	-60.2	170.6	0	0	0	110.2	S123 I124 A125 C142 F217 I221	S123-L144 PolarHBondContact O-N 3.4Å; I124-L144 CarbonylContact C-O 3.59Å; I124-L144 VanDerWaalsContact CA-O 3.3Å; I124-L144 WeakPolarHBondContact CA-O 3.46Å; I124-L144 HydrophobicContact CG1-CB 4.19Å; I124-L144 HydrophobicContact CG1-CD1 4.42Å; I124-L144 HydrophobicContact CG2-CB 4.43Å; A125-L144 PolarHBondContact N-O 2.59Å; C142-L144 VanDerWaalsContact C-N 3.31Å; C142-L144 WeakPolarHBondContact CB-O 3.31Å; C142-L144 PolarHBondContact O-N 3.09Å; L144-F217 HydrophobicContact CB-CE1 4.02Å; L144-F217 HydrophobicContact CB-CZ 4.12Å; L144-F217 HydrophobicContact CD1-CE1 4.33Å; L144-F217 HydrophobicContact CD1-CE2 4.02Å; L144-F217 HydrophobicContact CD1-CZ 3.77Å; L144-F217 HydrophobicContact CD2-CZ 4.14Å; L144-F217 HydrophobicContact CG-CZ 4.23Å; L144-I221 HydrophobicContact CD1-CD1 3.68Å
145	A	98.9	Very high	98.7	Very high	1 Å²	1	17 Å²	17	1%	0.008	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	141.9	175.7	0	0	0	0	0	111.5	A125 V139 V201 H202 R203	A125-A145 HydrophobicContact CB-CB 3.95Å; A125-A145 CarbonylContact O-C 3.51Å; A125-A145 VanDerWaalsContact O-CA 3.26Å; A125-A145 WeakPolarHBondContact O-CA 3.46Å; V139-A145 HydrophobicContact CG1-CB 3.94Å; A145-V201 HydrophobicContact CB-CB 4.19Å; A145-V201 HydrophobicContact CB-CG1 3.91Å; A145-H202 PolarHBondContact N-ND1 3.38Å; A145-H202 VanDerWaalsContact N-ND1 3.19Å; A145-H202 WeakPolarHBondContact O-CB 3.45Å; A145-H202 PolarHBondContact O-N 3.41Å; A145-R203 PolarHBondContact O-N 2.83Å
146	I	98.9	Very high	98.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.9	172.3	177.7	166.9	0	0	0	108	I124 A125 V127 R203 V205 L210 A213 S214 F217	I124-I146 HydrophobicContact CG2-CG2 4.09Å; A125-I146 PolarHBondContact O-N 3.25Å; A125-I146 VanDerWaalsContact O-O 3.07Å; V127-I146 PolarHBondContact N-O 2.97Å; I146-R203 WeakPolarHBondContact CA-O 3.14Å; I146-R203 HydrophobicContact CB-CB 4.1Å; I146-R203 HydrophobicContact CD1-CB 3.87Å; I146-R203 HydrophobicContact CG1-CB 3.7Å; I146-V205 HydrophobicContact CD1-CG1 4.1Å; I146-V205 HydrophobicContact CD1-CG2 4.09Å; I146-V205 HydrophobicContact CG1-CG2 4.26Å; I146-L210 HydrophobicContact CD1-CD1 4.41Å; I146-L210 HydrophobicContact CG1-CD1 3.89Å; I146-L210 HydrophobicContact CG2-CD1 4.16Å; I146-A213 HydrophobicContact CD1-CB 3.5Å; I146-S214 WeakPolarHBondContact CG2-OG 3.34Å; I146-F217 HydrophobicContact CB-CD1 4.29Å; I146-F217 HydrophobicContact CG2-CD1 4.47Å
147	S	98.9	Very high	98.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	138.9	-173.5	-168.4	0	0	0	0	111.8	A151 F153 A192 R203 V204 V205	S147-A151 WeakPolarHBondContact OG-CB 3.45Å; S147-F153 WeakPolarHBondContact OG-CZ 3.32Å; S147-A192 WeakPolarHBondContact OG-CB 3.39Å; S147-R203 PolarHBondContact N-O 3.17Å; S147-V204 WeakPolarHBondContact O-CA 3.44Å; S147-V205 PolarHBondContact O-N 3.48Å
148	A	98.9	Very high	98.2	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.008	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	145.9	155.5	0	0	0	0	0	109.3	V127 S150 A151 A192 V205 D207 L210	V127-A148 WeakPolarHBondContact O-CB 3.38Å; V127-A148 PolarHBondContact O-N 3.21Å; A148-S150 VanDerWaalsContact C-N 3.27Å; A148-S150 PolarHBondContact O-N 2.95Å; A148-A151 WeakPolarHBondContact O-CB 3.48Å; A148-A151 PolarHBondContact O-N 3.16Å; A148-A192 WeakPolarHBondContact O-CB 3.11Å; A148-V205 CarbonylContact C-O 3.56Å; A148-D207 HydrophobicContact CB-CB 4.38Å; A148-L210 HydrophobicContact CB-CD2 3.93Å
149	K	98.9	Very high	97.9	Very high	83 Å²	83	29.2 Å²	29.2	36%	0.361	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-37.5	-178.5	-173.7	67.4	172.4	-170.2	0	112.1	A151 D193 V204 V205 D207	K149-A151 VanDerWaalsContact C-N 3.32Å; K149-A151 PolarHBondContact O-N 2.87Å; K149-D193 WeakPolarHBondContact CE-OD2 3.29Å; K149-D193 IonicContact NZ-OD1 2.74Å; K149-D193 PolarHBondContact NZ-OD1 2.9Å; K149-D193 IonicContact NZ-OD2 2.68Å; K149-D193 PolarHBondContact NZ-OD2 2.91Å; K149-V204 HydrophobicContact CB-CG1 4.38Å; K149-V204 HydrophobicContact CD-CG1 3.68Å; K149-V205 WeakPolarHBondContact CB-O 3.33Å; K149-V205 PolarHBondContact N-O 2.81Å; K149-D207 PolarHBondContact N-OD1 2.99Å
150	S	98.6	Very high	97.7	Very high	71 Å²	71	34.3 Å²	34.3	50%	0.497	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-10.4	-179.1	73	0	0	0	0	114.9	A148 D207	A148-S150 VanDerWaalsContact C-N 3.27Å; A148-S150 PolarHBondContact O-N 2.95Å; S150-D207 WeakPolarHBondContact CB-OD2 3.36Å; S150-D207 PolarHBondContact N-OD1 2.87Å; S150-D207 VanDerWaalsContact OG-CG 3.29Å; S150-D207 PolarHBondContact OG-OD1 3.34Å; S150-D207 PolarHBondContact OG-OD2 3.39Å
151	A	98.8	Very high	97.5	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.008	22%	0.216	C	C	.	.			trans	-66.5	151.4	-177.7	0	0	0	0	0	112	V127 G129 S147 A148 K149 F153 A192	V127-A151 HydrophobicContact CG1-CB 4.04Å; G129-A151 WeakPolarHBondContact O-CB 3.38Å; S147-A151 WeakPolarHBondContact OG-CB 3.45Å; A148-A151 WeakPolarHBondContact O-CB 3.48Å; A148-A151 PolarHBondContact O-N 3.16Å; K149-A151 VanDerWaalsContact C-N 3.32Å; K149-A151 PolarHBondContact O-N 2.87Å; A151-F153 HydrophobicContact CB-CE2 4.43Å; A151-A192 PolarHBondContact O-N 3.33Å
152	I	98.9	Very high	97.2	Very high	67 Å²	67	40.1 Å²	40.1	34%	0.344	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150.3	176.8	64.1	167.6	0	0	0	110.6	P130 A131 A189 I190	P130-I152 WeakPolarHBondContact CA-O 3.3Å; P130-I152 HydrophobicContact CB-CD1 4.23Å; P130-I152 HydrophobicContact CB-CG1 3.67Å; P130-I152 HydrophobicContact CG-CD1 4.37Å; P130-I152 HydrophobicContact CG-CG1 3.92Å; A131-I152 PolarHBondContact N-O 3.16Å; I152-A189 HydrophobicContact CB-CB 4.22Å; I152-A189 HydrophobicContact CD1-CB 3.96Å; I152-I190 VanDerWaalsContact CA-O 3.32Å; I152-I190 WeakPolarHBondContact CA-O 3.5Å
153	F	98.9	Very high	97.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.5	-178.4	-56.7	-94.9	0	0	0	109.4	V127 A131 V139 S147 A151 A189 I190 A192 A195 L200 V201	V127-F153 HydrophobicContact CB-CE1 4.27Å; V127-F153 HydrophobicContact CB-CZ 4.09Å; V127-F153 HydrophobicContact CG1-CE1 3.73Å; V127-F153 HydrophobicContact CG1-CZ 3.71Å; V127-F153 HydrophobicContact CG2-CE1 4.03Å; V127-F153 HydrophobicContact CG2-CZ 4.21Å; A131-F153 HydrophobicContact CB-CD1 3.91Å; A131-F153 HydrophobicContact CB-CE1 4.15Å; A131-F153 WeakPolarHBondContact O-CA 3.33Å; V139-F153 HydrophobicContact CB-CE1 4.48Å; V139-F153 HydrophobicContact CG1-CD1 4.49Å; V139-F153 HydrophobicContact CG1-CE1 3.95Å; V139-F153 HydrophobicContact CG2-CE1 4.16Å; S147-F153 WeakPolarHBondContact OG-CZ 3.32Å; A151-F153 HydrophobicContact CB-CE2 4.43Å; F153-A189 CarbonylContact O-C 2.82Å; F153-A189 VanDerWaalsContact O-CA 3.27Å; F153-A189 WeakPolarHBondContact O-CA 3.45Å; F153-I190 HydrophobicContact CB-CD1 4.32Å; F153-I190 HydrophobicContact CB-CG1 3.8Å; F153-I190 HydrophobicContact CD2-CG1 4.48Å; F153-I190 PolarHBondContact N-O 3.11Å; F153-I190 PolarHBondContact O-N 2.87Å; F153-A192 HydrophobicContact CE2-CB 4.47Å; F153-A195 HydrophobicContact CD2-CB 3.56Å; F153-A195 HydrophobicContact CE2-CB 3.71Å; F153-A195 HydrophobicContact CG-CB 4.23Å; F153-A195 HydrophobicContact CZ-CB 4.44Å; F153-L200 HydrophobicContact CB-CD2 3.89Å; F153-L200 HydrophobicContact CD1-CD2 3.74Å; F153-L200 HydrophobicContact CE1-CD2 4.47Å; F153-L200 HydrophobicContact CG-CD2 3.82Å; F153-V201 HydrophobicContact CE1-CG1 4.02Å; F153-V201 HydrophobicContact CE2-CG1 4.34Å; F153-V201 HydrophobicContact CZ-CG1 3.65Å
154	S	98.4	Very high	97	Very high	6 Å²	6	42.6 Å²	42.6	4%	0.042	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	152.3	179.4	77.2	0	0	0	0	113.3	A131 V132 A133 C136 S156	A131-S154 PolarHBondContact O-N 3.07Å; A131-S154 VanDerWaalsContact O-N 3.11Å; V132-S154 CarbonylContact C-O 3.56Å; A133-S154 PolarHBondContact N-O 3.16Å; C136-S154 WeakPolarHBondContact CB-O 3.45Å; S154-S156 PolarHBondContact OG-OG 3.34Å
155	A	97.8	Very high	96.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.254	C	S	.	.			trans	-111.6	58.1	167.5	0	0	0	0	0	109.6	S157 C164 L171 L183 L184	A155-S157 VanDerWaalsContact C-N 3.34Å; A155-S157 PolarHBondContact O-N 3.42Å; A155-C164 VanDerWaalsContact C-SG 3.53Å; A155-C164 HydrophobicContact CB-CB 3.98Å; A155-L171 HydrophobicContact CB-CD1 4.21Å; A155-L183 HydrophobicContact CB-CB 4.33Å; A155-L184 HydrophobicContact CB-CD2 3.79Å; A155-L184 HydrophobicContact CB-CG 4.4Å
156	S	95.2	Very high	96.7	Very high	29 Å²	29	46.2 Å²	46.2	20%	0.203	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-84.9	6.8	-164.2	62.3	0	0	0	0	115.9	V132 S154 I158 K159 G187	V132-S156 WeakPolarHBondContact CG1-OG 3.39Å; S154-S156 PolarHBondContact OG-OG 3.34Å; S156-I158 PolarHBondContact O-N 2.68Å; S156-K159 WeakPolarHBondContact O-CB 3.49Å; S156-K159 PolarHBondContact O-N 3.48Å; S156-G187 WeakPolarHBondContact CB-O 3.44Å
157	S	94.8	Very high	96.7	Very high	24 Å²	24	46.5 Å²	46.5	17%	0.168	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-59.1	-21.2	178.2	-55.3	0	0	0	0	112.6	A133 A155 K159 L160 G161 L162 C164	A133-S157 WeakPolarHBondContact CB-OG 3.36Å; A155-S157 VanDerWaalsContact C-N 3.34Å; A155-S157 PolarHBondContact O-N 3.42Å; S157-K159 PolarHBondContact O-N 3.26Å; S157-K159 VanDerWaalsContact O-N 3.16Å; S157-L160 CarbonylContact O-C 3.59Å; S157-L160 WeakPolarHBondContact O-CA 3.35Å; S157-L160 WeakPolarHBondContact O-CB 3.29Å; S157-L160 PolarHBondContact O-N 3.32Å; S157-G161 PolarHBondContact O-N 3.22Å; S157-L162 CarbonylContact C-O 3.59Å; S157-L162 VanDerWaalsContact CB-O 3.3Å; S157-L162 WeakPolarHBondContact CB-O 3.44Å; S157-L162 PolarHBondContact O-N 3.39Å; S157-L162 VanDerWaalsContact O-N 3.13Å; S157-C164 WeakPolarHBondContact CB-SG 3.44Å; S157-C164 PolarHBondContact OG-SG 2.9Å
158	I	95.8	Very high	96.7	Very high	63 Å²	63	47 Å²	47	32%	0.323	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-57.9	-30.2	176.6	-166.1	66.5	0	0	0	112.1	S156 L160 G161 L162 F163	S156-I158 PolarHBondContact O-N 2.68Å; I158-L160 PolarHBondContact O-N 2.62Å; I158-G161 PolarHBondContact O-N 3.02Å; I158-G161 VanDerWaalsContact O-N 3.12Å; I158-L162 WeakPolarHBondContact CA-O 3.34Å; I158-L162 PolarHBondContact N-O 2.79Å; I158-F163 HydrophobicContact CD1-CD2 4.12Å
159	K	94	Very high	96.6	Very high	144 Å²	144	50.4 Å²	50.4	63%	0.626	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-69.9	-15.1	175.7	-61.2	177.6	179.8	168.8	0	113.1	S156 S157 G187	S156-K159 WeakPolarHBondContact O-CB 3.49Å; S156-K159 PolarHBondContact O-N 3.48Å; S157-K159 PolarHBondContact O-N 3.26Å; S157-K159 VanDerWaalsContact O-N 3.16Å; K159-G187 VanDerWaalsContact CE-O 3.22Å; K159-G187 WeakPolarHBondContact CE-O 3.44Å; K159-G187 PolarHBondContact NZ-O 3.42Å
160	L	94.2	Very high	96.6	Very high	110 Å²	110	47 Å²	47	58%	0.576	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-102.6	9	175.1	-56.5	175.1	0	0	0	112.1	L91 S157 I158 L162	L91-L160 HydrophobicContact CD1-CD1 3.87Å; L91-L160 HydrophobicContact CD2-CD1 3.89Å; S157-L160 CarbonylContact O-C 3.59Å; S157-L160 WeakPolarHBondContact O-CA 3.35Å; S157-L160 WeakPolarHBondContact O-CB 3.29Å; S157-L160 PolarHBondContact O-N 3.32Å; I158-L160 PolarHBondContact O-N 2.62Å; L160-L162 VanDerWaalsContact C-N 3.32Å
161	G	93.2	Very high	96.6	Very high	71 Å²	71	43.6 Å²	43.6	73%	0.732	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	13.9	-175.4	0	0	0	0	0	114.6	S157 I158	S157-G161 PolarHBondContact O-N 3.22Å; I158-G161 PolarHBondContact O-N 3.02Å; I158-G161 VanDerWaalsContact O-N 3.12Å
162	L	93.2	Very high	96.6	Very high	80 Å²	80	46 Å²	46	42%	0.419	27%	0.269	S	S	.	.			trans	-116.1	128.9	179.8	-67.2	174.1	0	0	0	110.9	V94 S157 I158 L160	V94-L162 HydrophobicContact CG1-CD1 4.18Å; S157-L162 CarbonylContact C-O 3.59Å; S157-L162 VanDerWaalsContact CB-O 3.3Å; S157-L162 WeakPolarHBondContact CB-O 3.44Å; S157-L162 PolarHBondContact O-N 3.39Å; S157-L162 VanDerWaalsContact O-N 3.13Å; I158-L162 WeakPolarHBondContact CA-O 3.34Å; I158-L162 PolarHBondContact N-O 2.79Å; L160-L162 VanDerWaalsContact C-N 3.32Å
163	F	95.7	Very high	96.5	Very high	101 Å²	101	51.9 Å²	51.9	44%	0.443	29%	0.287	S	S	.	.			trans	-78.5	136.9	171.2	-162.8	-97.8	0	0	0	110.5	I158 S165 L184 L185	I158-F163 HydrophobicContact CD1-CD2 4.12Å; F163-S165 PolarHBondContact O-N 3.4Å; F163-L184 HydrophobicContact CE1-CD2 4.46Å; F163-L184 HydrophobicContact CE2-CB 4.21Å; F163-L184 HydrophobicContact CZ-CB 3.8Å; F163-L184 HydrophobicContact CZ-CD1 4.38Å; F163-L184 HydrophobicContact CZ-CD2 4.48Å; F163-L184 HydrophobicContact CZ-CG 4.45Å; F163-L185 HydrophobicContact CE2-CD2 4.15Å
164	C	96.3	Very high	96.5	Very high	5 Å²	5	53.8 Å²	53.8	3%	0.034	30%	0.302	C	S	.	.			trans	-75.5	60.5	176	-74.6	0	0	0	0	111.7	A155 S157 P167 G168 L184	A155-C164 VanDerWaalsContact C-SG 3.53Å; A155-C164 HydrophobicContact CB-CB 3.98Å; S157-C164 WeakPolarHBondContact CB-SG 3.44Å; S157-C164 PolarHBondContact OG-SG 2.9Å; C164-P167 HydrophobicContact CB-CB 3.97Å; C164-P167 HydrophobicContact CB-CG 3.83Å; C164-G168 PolarHBondContact O-N 3.23Å; C164-L184 HydrophobicContact CB-CD2 3.59Å; C164-L184 WeakPolarHBondContact O-CD2 3.49Å
165	S	96.2	Very high	96.5	Very high	79 Å²	79	54.4 Å²	54.4	55%	0.552	31%	0.305	S	S	*	.	H	α-helix	trans	-60.9	-48.8	-175.5	-56.9	0	0	0	0	112.6	F163 G168 V169	F163-S165 PolarHBondContact O-N 3.4Å; S165-G168 PolarHBondContact O-N 3.46Å; S165-V169 PolarHBondContact O-N 3.34Å
166	T	96.1	Very high	96.5	Very high	36 Å²	36	56 Å²	56	22%	0.221	32%	0.321	C	S	.	.	H	α-helix	trans	-69.3	-44.2	178.4	44.3	0	0	0	0	112.5	Q137 G168 V169	Q137-T166 PolarHBondContact NE2-O 2.94Å; T166-G168 PolarHBondContact O-N 2.92Å; T166-V169 WeakPolarHBondContact O-CB 3.27Å; T166-V169 PolarHBondContact O-N 2.88Å; T166-V169 VanDerWaalsContact O-N 3.17Å
167	P	97.8	Very high	96.6	Very high	6 Å²	6	59.2 Å²	59.2	4%	0.039	34%	0.335	C	S	.	.	H	α-helix	trans	-56.8	-33.7	168.1	-25.6	30.4	0	0	0	114.7	Q137 C164 V169 S170 L171	Q137-P167 HydrophobicContact CB-CB 3.85Å; Q137-P167 HydrophobicContact CB-CG 4.05Å; Q137-P167 HydrophobicContact CG-CB 4.43Å; C164-P167 HydrophobicContact CB-CB 3.97Å; C164-P167 HydrophobicContact CB-CG 3.83Å; P167-V169 PolarHBondContact O-N 3.1Å; P167-S170 PolarHBondContact O-N 2.88Å; P167-L171 HydrophobicContact CB-CD1 4.44Å; P167-L171 WeakPolarHBondContact O-CB 3.29Å; P167-L171 WeakPolarHBondContact O-CG 3.4Å; P167-L171 PolarHBondContact O-N 3.33Å
168	G	98.3	Very high	96.8	Very high	9 Å²	9	69 Å²	69	9%	0.093	37%	0.369	C	S	.	.	H	α-helix	trans	-59.7	-32.3	178	0	0	0	0	0	113.5	C164 S165 T166 V172	C164-G168 PolarHBondContact O-N 3.23Å; S165-G168 PolarHBondContact O-N 3.46Å; T166-G168 PolarHBondContact O-N 2.92Å; G168-V172 WeakPolarHBondContact O-CB 3.47Å; G168-V172 WeakPolarHBondContact O-CG2 3.37Å; G168-V172 PolarHBondContact O-N 2.96Å
169	V	98.2	Very high	96.9	Very high	74 Å²	74	66.7 Å²	66.7	45%	0.448	36%	0.359	S	S	.	.	H	α-helix	trans	-60.8	-49.4	178.1	177.2	0	0	0	0	111.1	S165 T166 P167 R173	S165-V169 PolarHBondContact O-N 3.34Å; T166-V169 WeakPolarHBondContact O-CB 3.27Å; T166-V169 PolarHBondContact O-N 2.88Å; T166-V169 VanDerWaalsContact O-N 3.17Å; P167-V169 PolarHBondContact O-N 3.1Å; V169-R173 PolarHBondContact O-NH1 3.1Å
170	S	98.3	Very high	97.1	Very high	10 Å²	10	59.8 Å²	59.8	7%	0.07	33%	0.329	C	S	.	.	H	α-helix	trans	-74.5	-41.8	179.2	-53.3	0	0	0	0	111.7	P167 V172 R173 A174	P167-S170 PolarHBondContact O-N 2.88Å; S170-V172 PolarHBondContact O-N 2.78Å; S170-R173 PolarHBondContact O-N 3.42Å; S170-R173 VanDerWaalsContact O-N 3.15Å; S170-A174 PolarHBondContact O-N 3.45Å
171	L	98.6	Very high	97.3	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-60.7	-44.3	179.8	-75.6	171.3	0	0	0	112.6	A140 A155 P167 R173 A174 I175 A180 L184 L200	A140-L171 HydrophobicContact CB-CD2 4.12Å; A140-L171 HydrophobicContact CB-CG 4.46Å; A155-L171 HydrophobicContact CB-CD1 4.21Å; P167-L171 HydrophobicContact CB-CD1 4.44Å; P167-L171 WeakPolarHBondContact O-CB 3.29Å; P167-L171 WeakPolarHBondContact O-CG 3.4Å; P167-L171 PolarHBondContact O-N 3.33Å; L171-R173 PolarHBondContact O-N 2.81Å; L171-A174 PolarHBondContact O-N 2.87Å; L171-I175 HydrophobicContact CD2-CD1 4.29Å; L171-I175 WeakPolarHBondContact O-CG1 3.49Å; L171-I175 PolarHBondContact O-N 3.24Å; L171-A180 HydrophobicContact CB-CB 4.02Å; L171-L184 HydrophobicContact CD1-CD2 4.25Å; L171-L184 HydrophobicContact CD1-CG 4.47Å; L171-L200 HydrophobicContact CD2-CD1 4.11Å
172	V	98.3	Very high	97.6	Very high	52 Å²	52	60.5 Å²	60.5	32%	0.315	31%	0.309	S	S	.	.	H	α-helix	trans	-62.2	-34	178.6	170.6	0	0	0	0	111.5	G168 S170 G176 L177 A180	G168-V172 WeakPolarHBondContact O-CB 3.47Å; G168-V172 WeakPolarHBondContact O-CG2 3.37Å; G168-V172 PolarHBondContact O-N 2.96Å; S170-V172 PolarHBondContact O-N 2.78Å; V172-G176 WeakPolarHBondContact O-CA 3.37Å; V172-G176 PolarHBondContact O-N 3.18Å; V172-G176 VanDerWaalsContact O-N 3.09Å; V172-L177 HydrophobicContact CG1-CB 4.28Å; V172-L177 HydrophobicContact CG1-CD1 4.4Å; V172-L177 HydrophobicContact CG2-CD1 3.88Å; V172-A180 HydrophobicContact CG2-CB 3.75Å
173	R	97.2	Very high	97.8	Very high	191 Å²	191	56.8 Å²	56.8	72%	0.721	29%	0.289	S	S	*	.	H	α-helix	trans	-74.2	-35	177.1	-72.5	172.5	174.2	73.6	-3.7	112.8	V169 S170 L171	V169-R173 PolarHBondContact O-NH1 3.1Å; S170-R173 PolarHBondContact O-N 3.42Å; S170-R173 VanDerWaalsContact O-N 3.15Å; L171-R173 PolarHBondContact O-N 2.81Å
174	A	97.9	Very high	97.9	Very high	39 Å²	39	52.5 Å²	52.5	32%	0.322	27%	0.271	S	S	.	.	H	α-helix	trans	-79.2	-46.8	-179.1	0	0	0	0	0	113.3	A140 S170 L171 L200	A140-A174 HydrophobicContact CB-CB 4.07Å; S170-A174 PolarHBondContact O-N 3.45Å; L171-A174 PolarHBondContact O-N 2.87Å; A174-L200 HydrophobicContact CB-CD1 4.3Å
175	I	98.4	Very high	98	Very high	20 Å²	20	57.8 Å²	57.8	10%	0.103	30%	0.298	C	S	.	.	H	α-helix	trans	-121.8	8	-169.5	61.6	170.7	0	0	0	114	L171 A179 A180 L183 L198 L200	L171-I175 HydrophobicContact CD2-CD1 4.29Å; L171-I175 WeakPolarHBondContact O-CG1 3.49Å; L171-I175 PolarHBondContact O-N 3.24Å; I175-A179 HydrophobicContact CB-CB 4.13Å; I175-A179 HydrophobicContact CD1-CB 3.82Å; I175-A179 HydrophobicContact CG1-CB 4.03Å; I175-A179 WeakPolarHBondContact O-CB 3.33Å; I175-A180 HydrophobicContact CD1-CB 4.47Å; I175-A180 HydrophobicContact CG1-CB 4.33Å; I175-L183 HydrophobicContact CD1-CD1 3.4Å; I175-L183 VanDerWaalsContact CD1-CD1 3.4Å; I175-L198 HydrophobicContact CB-CB 4.33Å; I175-L198 HydrophobicContact CD1-CD1 4.39Å; I175-L198 HydrophobicContact CG2-CB 4Å; I175-L198 VanDerWaalsContact CG2-O 3.25Å; I175-L198 WeakPolarHBondContact CG2-O 3.44Å; I175-L200 HydrophobicContact CG2-CB 3.63Å; I175-L200 HydrophobicContact CG2-CD1 4.35Å
176	G	98.2	Very high	98.1	Very high	32 Å²	32	56.9 Å²	56.9	33%	0.33	29%	0.289	S	S	.	.	H	α-helix	trans	73.9	161.7	-177.3	0	0	0	0	0	113.9	V172 R178 A180	V172-G176 WeakPolarHBondContact O-CA 3.37Å; V172-G176 PolarHBondContact O-N 3.18Å; V172-G176 VanDerWaalsContact O-N 3.09Å; G176-R178 VanDerWaalsContact C-N 3.31Å; G176-R178 PolarHBondContact O-N 3.37Å; G176-A180 WeakPolarHBondContact O-CB 3.37Å; G176-A180 PolarHBondContact O-N 2.95Å; G176-A180 VanDerWaalsContact O-N 3.1Å
177	L	98.3	Very high	98.2	Very high	97 Å²	97	55.1 Å²	55.1	51%	0.508	28%	0.279	S	S	.	.	H	α-helix	trans	-60.7	-36.5	-172.5	-177.8	59.9	0	0	0	113.7	V172 K181	V172-L177 HydrophobicContact CG1-CB 4.28Å; V172-L177 HydrophobicContact CG1-CD1 4.4Å; V172-L177 HydrophobicContact CG2-CD1 3.88Å; L177-K181 HydrophobicContact CD1-CD 4.48Å; L177-K181 HydrophobicContact CD1-CG 4.4Å; L177-K181 HydrophobicContact CG-CD 4.32Å; L177-K181 WeakPolarHBondContact O-CB 3.34Å; L177-K181 VanDerWaalsContact O-CG 3.28Å; L177-K181 WeakPolarHBondContact O-CG 3.48Å; L177-K181 PolarHBondContact O-N 3.1Å; L177-K181 VanDerWaalsContact O-N 3.07Å
178	R	98.5	Very high	98.2	Very high	229 Å²	229	61.7 Å²	61.7	86%	0.864	31%	0.307	S	S	*	.	H	α-helix	trans	-71.8	-45.9	-174.1	-169	173.2	-176.8	-134.5	0.9	112.1	G176 K181	G176-R178 VanDerWaalsContact C-N 3.31Å; G176-R178 PolarHBondContact O-N 3.37Å; R178-K181 PolarHBondContact O-N 3.08Å
179	A	98.4	Very high	98.2	Very high	15 Å²	15	63.7 Å²	63.7	12%	0.124	32%	0.323	C	S	.	.	H	α-helix	trans	-69.5	-40.6	177	0	0	0	0	0	111.2	I175 K181 E182 L183 L198	I175-A179 HydrophobicContact CB-CB 4.13Å; I175-A179 HydrophobicContact CD1-CB 3.82Å; I175-A179 HydrophobicContact CG1-CB 4.03Å; I175-A179 WeakPolarHBondContact O-CB 3.33Å; A179-K181 VanDerWaalsContact C-N 3.28Å; A179-K181 PolarHBondContact O-N 2.71Å; A179-E182 WeakPolarHBondContact O-CB 3.15Å; A179-E182 PolarHBondContact O-N 2.99Å; A179-E182 VanDerWaalsContact O-N 3.08Å; A179-L183 PolarHBondContact O-N 3.29Å; A179-L198 HydrophobicContact CB-CD1 4.21Å; A179-L198 HydrophobicContact CB-CD2 3.6Å; A179-L198 HydrophobicContact CB-CG 4.41Å
180	A	98.6	Very high	98.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-57.2	-40.7	175.1	0	0	0	0	0	112.3	L171 V172 I175 G176 E182 L183 L184	L171-A180 HydrophobicContact CB-CB 4.02Å; V172-A180 HydrophobicContact CG2-CB 3.75Å; I175-A180 HydrophobicContact CD1-CB 4.47Å; I175-A180 HydrophobicContact CG1-CB 4.33Å; G176-A180 WeakPolarHBondContact O-CB 3.37Å; G176-A180 PolarHBondContact O-N 2.95Å; G176-A180 VanDerWaalsContact O-N 3.1Å; A180-E182 VanDerWaalsContact C-N 3.3Å; A180-E182 PolarHBondContact O-N 3.25Å; A180-L183 PolarHBondContact O-N 3.42Å; A180-L184 HydrophobicContact CB-CD1 4.15Å; A180-L184 WeakPolarHBondContact O-CB 3.4Å; A180-L184 WeakPolarHBondContact O-CD1 3.16Å; A180-L184 WeakPolarHBondContact O-CG 3.33Å; A180-L184 PolarHBondContact O-N 3.23Å
181	K	98.4	Very high	98.3	Very high	105 Å²	105	63 Å²	63	46%	0.457	32%	0.32	S	S	.	.	H	α-helix	trans	-58.7	-37.4	175.8	-81.8	173.1	178.2	178.8	0	113.2	L177 R178 A179 L184 L185	L177-K181 HydrophobicContact CD1-CD 4.48Å; L177-K181 HydrophobicContact CD1-CG 4.4Å; L177-K181 HydrophobicContact CG-CD 4.32Å; L177-K181 WeakPolarHBondContact O-CB 3.34Å; L177-K181 VanDerWaalsContact O-CG 3.28Å; L177-K181 WeakPolarHBondContact O-CG 3.48Å; L177-K181 PolarHBondContact O-N 3.1Å; L177-K181 VanDerWaalsContact O-N 3.07Å; R178-K181 PolarHBondContact O-N 3.08Å; A179-K181 VanDerWaalsContact C-N 3.28Å; A179-K181 PolarHBondContact O-N 2.71Å; K181-L184 PolarHBondContact O-N 3.3Å; K181-L185 HydrophobicContact CB-CD1 4.03Å; K181-L185 HydrophobicContact CG-CD1 4.32Å; K181-L185 WeakPolarHBondContact O-CB 3.27Å; K181-L185 VanDerWaalsContact O-CG 3.25Å; K181-L185 WeakPolarHBondContact O-CG 3.41Å; K181-L185 PolarHBondContact O-N 3.49Å
182	E	98.2	Very high	98.3	Very high	90 Å²	90	63 Å²	63	42%	0.421	32%	0.32	S	S	.	.	H	α-helix	trans	-59	-50.9	177.1	-176.2	-177.3	177.8	0	0	110.7	A179 A180 T186 R194	A179-E182 WeakPolarHBondContact O-CB 3.15Å; A179-E182 PolarHBondContact O-N 2.99Å; A179-E182 VanDerWaalsContact O-N 3.08Å; A180-E182 VanDerWaalsContact C-N 3.3Å; A180-E182 PolarHBondContact O-N 3.25Å; E182-T186 WeakPolarHBondContact O-CB 3.48Å; E182-T186 VanDerWaalsContact O-CG2 3.3Å; E182-T186 WeakPolarHBondContact O-CG2 3.4Å; E182-T186 PolarHBondContact O-N 3.09Å; E182-T186 PolarHBondContact O-OG1 2.97Å; E182-R194 IonicContact OE2-NH2 3.43Å
183	L	98.3	Very high	98.3	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-63.6	-47.3	178.2	-73.3	135.6	0	0	0	112	A155 I175 A179 A180 G187 I190	A155-L183 HydrophobicContact CB-CB 4.33Å; I175-L183 HydrophobicContact CD1-CD1 3.4Å; I175-L183 VanDerWaalsContact CD1-CD1 3.4Å; A179-L183 PolarHBondContact O-N 3.29Å; A180-L183 PolarHBondContact O-N 3.42Å; L183-G187 VanDerWaalsContact O-CA 3.32Å; L183-G187 WeakPolarHBondContact O-CA 3.41Å; L183-G187 PolarHBondContact O-N 2.93Å; L183-I190 HydrophobicContact CD1-CD1 4.31Å; L183-I190 HydrophobicContact CD2-CD1 4.06Å; L183-I190 HydrophobicContact CD2-CG1 4.02Å; L183-I190 HydrophobicContact CD2-CG2 4.03Å; L183-I190 HydrophobicContact CG-CG2 4.46Å
184	L	98.5	Very high	98.4	Very high	11 Å²	11	58.6 Å²	58.6	6%	0.058	30%	0.302	C	S	.	.	H	α-helix	trans	-71.2	-40.8	-173.3	-68.2	166	0	0	0	113.2	A155 F163 C164 L171 A180 K181	A155-L184 HydrophobicContact CB-CD2 3.79Å; A155-L184 HydrophobicContact CB-CG 4.4Å; F163-L184 HydrophobicContact CE1-CD2 4.46Å; F163-L184 HydrophobicContact CE2-CB 4.21Å; F163-L184 HydrophobicContact CZ-CB 3.8Å; F163-L184 HydrophobicContact CZ-CD1 4.38Å; F163-L184 HydrophobicContact CZ-CD2 4.48Å; F163-L184 HydrophobicContact CZ-CG 4.45Å; C164-L184 HydrophobicContact CB-CD2 3.59Å; C164-L184 WeakPolarHBondContact O-CD2 3.49Å; L171-L184 HydrophobicContact CD1-CD2 4.25Å; L171-L184 HydrophobicContact CD1-CG 4.47Å; A180-L184 HydrophobicContact CB-CD1 4.15Å; A180-L184 WeakPolarHBondContact O-CB 3.4Å; A180-L184 WeakPolarHBondContact O-CD1 3.16Å; A180-L184 WeakPolarHBondContact O-CG 3.33Å; A180-L184 PolarHBondContact O-N 3.23Å; K181-L184 PolarHBondContact O-N 3.3Å
185	L	98.4	Very high	98.4	Very high	116 Å²	116	56.7 Å²	56.7	61%	0.607	29%	0.287	S	S	*	.	H	α-helix	trans	-83.5	-30.5	-175.7	-63.8	172.5	0	0	0	112.6	F163 K181	F163-L185 HydrophobicContact CE2-CD2 4.15Å; K181-L185 HydrophobicContact CB-CD1 4.03Å; K181-L185 HydrophobicContact CG-CD1 4.32Å; K181-L185 WeakPolarHBondContact O-CB 3.27Å; K181-L185 VanDerWaalsContact O-CG 3.25Å; K181-L185 WeakPolarHBondContact O-CG 3.41Å; K181-L185 PolarHBondContact O-N 3.49Å
186	T	98	Very high	98.4	Very high	60 Å²	60	62.2 Å²	62.2	37%	0.368	31%	0.307	S	S	.	.	H	α-helix	trans	-96.8	-24.6	-178	73.3	0	0	0	0	112.9	E182 K188	E182-T186 WeakPolarHBondContact O-CB 3.48Å; E182-T186 VanDerWaalsContact O-CG2 3.3Å; E182-T186 WeakPolarHBondContact O-CG2 3.4Å; E182-T186 PolarHBondContact O-N 3.09Å; E182-T186 PolarHBondContact O-OG1 2.97Å; T186-K188 PolarHBondContact O-N 3.3Å; T186-K188 VanDerWaalsContact O-N 3.09Å; T186-K188 WeakPolarHBondContact OG1-CB 3.4Å; T186-K188 PolarHBondContact OG1-N 3.15Å
187	G	97.4	Very high	98.5	Very high	0 Å²	0	67 Å²	67	0%	0	32%	0.321	C	S	.	.			trans	59.4	16.3	-171.6	0	0	0	0	0	113.7	S156 K159 L183	S156-G187 WeakPolarHBondContact CB-O 3.44Å; K159-G187 VanDerWaalsContact CE-O 3.22Å; K159-G187 WeakPolarHBondContact CE-O 3.44Å; K159-G187 PolarHBondContact NZ-O 3.42Å; L183-G187 VanDerWaalsContact O-CA 3.32Å; L183-G187 WeakPolarHBondContact O-CA 3.41Å; L183-G187 PolarHBondContact O-N 2.93Å
188	K	98	Very high	98.5	Very high	144 Å²	144	63.8 Å²	63.8	63%	0.626	30%	0.304	S	S	*	.			trans	-73.3	146.1	174.6	-70.4	-178.7	179	-179	0	109.5	T186	T186-K188 PolarHBondContact O-N 3.3Å; T186-K188 VanDerWaalsContact O-N 3.09Å; T186-K188 WeakPolarHBondContact OG1-CB 3.4Å; T186-K188 PolarHBondContact OG1-N 3.15Å
189	A	98.5	Very high	98.5	Very high	51 Å²	51	54.7 Å²	54.7	42%	0.421	28%	0.282	S	S	.	.			trans	-83.1	145.3	171.9	0	0	0	0	0	109.8	I152 F153	I152-A189 HydrophobicContact CB-CB 4.22Å; I152-A189 HydrophobicContact CD1-CB 3.96Å; F153-A189 CarbonylContact O-C 2.82Å; F153-A189 VanDerWaalsContact O-CA 3.27Å; F153-A189 WeakPolarHBondContact O-CA 3.45Å
190	I	98.8	Very high	98.5	Very high	15 Å²	15	54.2 Å²	54.2	8%	0.077	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	150.4	169.5	66.8	173.2	0	0	0	109.6	I152 F153 L183 R194 A195 L198 L200	I152-I190 VanDerWaalsContact CA-O 3.32Å; I152-I190 WeakPolarHBondContact CA-O 3.5Å; F153-I190 HydrophobicContact CB-CD1 4.32Å; F153-I190 HydrophobicContact CB-CG1 3.8Å; F153-I190 HydrophobicContact CD2-CG1 4.48Å; F153-I190 PolarHBondContact N-O 3.11Å; F153-I190 PolarHBondContact O-N 2.87Å; L183-I190 HydrophobicContact CD1-CD1 4.31Å; L183-I190 HydrophobicContact CD2-CD1 4.06Å; L183-I190 HydrophobicContact CD2-CG1 4.02Å; L183-I190 HydrophobicContact CD2-CG2 4.03Å; L183-I190 HydrophobicContact CG-CG2 4.46Å; I190-R194 HydrophobicContact CB-CB 4.04Å; I190-R194 HydrophobicContact CB-CG 3.83Å; I190-R194 HydrophobicContact CD1-CG 4.35Å; I190-R194 HydrophobicContact CG2-CG 4.02Å; I190-A195 HydrophobicContact CD1-CB 3.94Å; I190-A195 HydrophobicContact CG1-CB 4.43Å; I190-L198 HydrophobicContact CD1-CD1 3.85Å; I190-L200 HydrophobicContact CD1-CD2 4.44Å
191	S	98.8	Very high	98.5	Very high	55 Å²	55	54.3 Å²	54.3	39%	0.385	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	166.3	173.8	60.4	0	0	0	0	111.8	D193 R194 A195	S191-D193 VanDerWaalsContact C-N 3.28Å; S191-D193 PolarHBondContact O-N 3.47Å; S191-R194 PolarHBondContact O-N 3.25Å; S191-R194 PolarHBondContact OG-N 2.91Å; S191-A195 WeakPolarHBondContact O-CB 3.38Å; S191-A195 PolarHBondContact O-N 3.38Å
192	A	98.9	Very high	98.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-55.3	-40.8	170.6	0	0	0	0	0	113	S147 A148 A151 F153 A195 Y196 V204	S147-A192 WeakPolarHBondContact OG-CB 3.39Å; A148-A192 WeakPolarHBondContact O-CB 3.11Å; A151-A192 PolarHBondContact O-N 3.33Å; F153-A192 HydrophobicContact CE2-CB 4.47Å; A192-A195 WeakPolarHBondContact O-CB 3.38Å; A192-A195 PolarHBondContact O-N 3.13Å; A192-Y196 PolarHBondContact O-N 3.31Å; A192-V204 HydrophobicContact CB-CG1 3.79Å; A192-V204 HydrophobicContact CB-CG2 4.04Å; A192-V204 WeakPolarHBondContact O-CG2 3.39Å
193	D	98.9	Very high	98.6	Very high	66 Å²	66	52.4 Å²	52.4	35%	0.353	27%	0.267	S	S	.	.	H	α-helix	trans	-63.3	-44.2	177.1	-64	-36.5	0	0	0	111.9	K149 S191 A195 Y196 E197	K149-D193 WeakPolarHBondContact CE-OD2 3.29Å; K149-D193 IonicContact NZ-OD1 2.74Å; K149-D193 PolarHBondContact NZ-OD1 2.9Å; K149-D193 IonicContact NZ-OD2 2.68Å; K149-D193 PolarHBondContact NZ-OD2 2.91Å; S191-D193 VanDerWaalsContact C-N 3.28Å; S191-D193 PolarHBondContact O-N 3.47Å; D193-A195 VanDerWaalsContact C-N 3.31Å; D193-A195 PolarHBondContact O-N 2.99Å; D193-Y196 WeakPolarHBondContact O-CB 3.26Å; D193-Y196 PolarHBondContact O-N 3.4Å; D193-Y196 VanDerWaalsContact O-N 3.17Å; D193-E197 WeakPolarHBondContact O-CG 3.35Å; D193-E197 PolarHBondContact O-N 2.92Å
194	R	98.7	Very high	98.6	Very high	83 Å²	83	54.1 Å²	54.1	31%	0.313	28%	0.278	S	S	.	.	H	α-helix	trans	-67.1	-35.8	176.6	-179.6	57.1	179.3	155.5	4.2	111.5	E182 I190 S191 Y196 E197 L198	E182-R194 IonicContact OE2-NH2 3.43Å; I190-R194 HydrophobicContact CB-CB 4.04Å; I190-R194 HydrophobicContact CB-CG 3.83Å; I190-R194 HydrophobicContact CD1-CG 4.35Å; I190-R194 HydrophobicContact CG2-CG 4.02Å; S191-R194 PolarHBondContact O-N 3.25Å; S191-R194 PolarHBondContact OG-N 2.91Å; R194-Y196 VanDerWaalsContact C-N 3.29Å; R194-Y196 PolarHBondContact O-N 3.2Å; R194-E197 WeakPolarHBondContact CD-OE2 3.46Å; R194-E197 IonicContact CZ-OE2 3.88Å; R194-E197 IonicContact NE-OE2 2.59Å; R194-E197 IonicContact NH1-OE2 3.83Å; R194-E197 PolarHBondContact NH1-OE2 3.03Å; R194-E197 PolarHBondContact O-N 3.29Å; R194-L198 HydrophobicContact CG-CD1 4.36Å; R194-L198 VanDerWaalsContact O-CG 3.31Å; R194-L198 WeakPolarHBondContact O-CG 3.39Å; R194-L198 PolarHBondContact O-N 3.36Å; R194-L198 VanDerWaalsContact O-N 3.12Å
195	A	98.9	Very high	98.6	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.6	-37.3	173.2	0	0	0	0	0	111.6	F153 I190 S191 A192 D193 L198 G199 L200 V201	F153-A195 HydrophobicContact CD2-CB 3.56Å; F153-A195 HydrophobicContact CE2-CB 3.71Å; F153-A195 HydrophobicContact CG-CB 4.23Å; F153-A195 HydrophobicContact CZ-CB 4.44Å; I190-A195 HydrophobicContact CD1-CB 3.94Å; I190-A195 HydrophobicContact CG1-CB 4.43Å; S191-A195 WeakPolarHBondContact O-CB 3.38Å; S191-A195 PolarHBondContact O-N 3.38Å; A192-A195 WeakPolarHBondContact O-CB 3.38Å; A192-A195 PolarHBondContact O-N 3.13Å; D193-A195 VanDerWaalsContact C-N 3.31Å; D193-A195 PolarHBondContact O-N 2.99Å; A195-L198 PolarHBondContact O-N 2.96Å; A195-G199 PolarHBondContact O-N 2.99Å; A195-L200 HydrophobicContact CB-CB 4.11Å; A195-L200 HydrophobicContact CB-CD2 4.19Å; A195-L200 WeakPolarHBondContact O-CB 3.36Å; A195-L200 PolarHBondContact O-N 2.86Å; A195-V201 HydrophobicContact CB-CG1 4.34Å; A195-V201 HydrophobicContact CB-CG2 3.97Å; A195-V201 PolarHBondContact O-N 2.89Å
196	Y	98.9	Very high	98.6	Very high	136 Å²	136	55.3 Å²	55.3	53%	0.533	28%	0.282	S	S	.	.	H	α-helix	trans	-65.8	-47.3	174.1	174.8	-100.2	0	0	0	112.1	A192 D193 R194 L198 G199 H202 V204	A192-Y196 PolarHBondContact O-N 3.31Å; D193-Y196 WeakPolarHBondContact O-CB 3.26Å; D193-Y196 PolarHBondContact O-N 3.4Å; D193-Y196 VanDerWaalsContact O-N 3.17Å; R194-Y196 VanDerWaalsContact C-N 3.29Å; R194-Y196 PolarHBondContact O-N 3.2Å; Y196-L198 PolarHBondContact O-N 3.49Å; Y196-G199 PolarHBondContact O-N 3.04Å; Y196-H202 WeakPolarHBondContact CE2-O 3.45Å; Y196-V204 HydrophobicContact CG-CG2 4.46Å
197	E	98.7	Very high	98.7	Very high	131 Å²	131	56.1 Å²	56.1	61%	0.612	28%	0.284	S	S	*	.	H	α-helix	trans	-57	-33	175.8	-70.6	173.2	-176.9	0	0	113.3	D193 R194	D193-E197 WeakPolarHBondContact O-CG 3.35Å; D193-E197 PolarHBondContact O-N 2.92Å; R194-E197 WeakPolarHBondContact CD-OE2 3.46Å; R194-E197 IonicContact CZ-OE2 3.88Å; R194-E197 IonicContact NE-OE2 2.59Å; R194-E197 IonicContact NH1-OE2 3.83Å; R194-E197 PolarHBondContact NH1-OE2 3.03Å; R194-E197 PolarHBondContact O-N 3.29Å
198	L	98.5	Very high	98.7	Very high	30 Å²	30	62 Å²	62	16%	0.157	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-11.7	178.9	-70	178.7	0	0	0	113.6	I175 A179 I190 R194 A195 Y196	I175-L198 HydrophobicContact CB-CB 4.33Å; I175-L198 HydrophobicContact CD1-CD1 4.39Å; I175-L198 HydrophobicContact CG2-CB 4Å; I175-L198 VanDerWaalsContact CG2-O 3.25Å; I175-L198 WeakPolarHBondContact CG2-O 3.44Å; A179-L198 HydrophobicContact CB-CD1 4.21Å; A179-L198 HydrophobicContact CB-CD2 3.6Å; A179-L198 HydrophobicContact CB-CG 4.41Å; I190-L198 HydrophobicContact CD1-CD1 3.85Å; R194-L198 HydrophobicContact CG-CD1 4.36Å; R194-L198 VanDerWaalsContact O-CG 3.31Å; R194-L198 WeakPolarHBondContact O-CG 3.39Å; R194-L198 PolarHBondContact O-N 3.36Å; R194-L198 VanDerWaalsContact O-N 3.12Å; A195-L198 PolarHBondContact O-N 2.96Å; Y196-L198 PolarHBondContact O-N 3.49Å
199	G	98.4	Very high	98.7	Very high	38 Å²	38	59.8 Å²	59.8	39%	0.392	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	12	-173.2	0	0	0	0	0	114.7	A195 Y196 V201	A195-G199 PolarHBondContact O-N 2.99Å; Y196-G199 PolarHBondContact O-N 3.04Å; G199-V201 VanDerWaalsContact C-N 3.31Å
200	L	98.8	Very high	98.7	Very high	5 Å²	5	57.8 Å²	57.8	3%	0.026	29%	0.288	C	S	.	.	S	Bend	trans	-69.8	-33.2	174.3	-177.8	59.8	0	0	0	111.4	V139 A140 F153 L171 A174 I175 I190 A195	V139-L200 HydrophobicContact CG1-CD1 4.45Å; V139-L200 HydrophobicContact CG1-CG 4.5Å; A140-L200 HydrophobicContact CB-CD1 3.84Å; F153-L200 HydrophobicContact CB-CD2 3.89Å; F153-L200 HydrophobicContact CD1-CD2 3.74Å; F153-L200 HydrophobicContact CE1-CD2 4.47Å; F153-L200 HydrophobicContact CG-CD2 3.82Å; L171-L200 HydrophobicContact CD2-CD1 4.11Å; A174-L200 HydrophobicContact CB-CD1 4.3Å; I175-L200 HydrophobicContact CG2-CB 3.63Å; I175-L200 HydrophobicContact CG2-CD1 4.35Å; I190-L200 HydrophobicContact CD1-CD2 4.44Å; A195-L200 HydrophobicContact CB-CB 4.11Å; A195-L200 HydrophobicContact CB-CD2 4.19Å; A195-L200 WeakPolarHBondContact O-CB 3.36Å; A195-L200 PolarHBondContact O-N 2.86Å
201	V	98.9	Very high	98.7	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.012	30%	0.301	C	S	.	.			trans	-127.2	150.8	172.8	-55.7	0	0	0	0	110.2	V139 A145 F153 A195 G199 V204	V139-V201 HydrophobicContact CG1-CG1 4.47Å; A145-V201 HydrophobicContact CB-CB 4.19Å; A145-V201 HydrophobicContact CB-CG1 3.91Å; F153-V201 HydrophobicContact CE1-CG1 4.02Å; F153-V201 HydrophobicContact CE2-CG1 4.34Å; F153-V201 HydrophobicContact CZ-CG1 3.65Å; A195-V201 HydrophobicContact CB-CG1 4.34Å; A195-V201 HydrophobicContact CB-CG2 3.97Å; A195-V201 PolarHBondContact O-N 2.89Å; G199-V201 VanDerWaalsContact C-N 3.31Å; V201-V204 HydrophobicContact CG2-CG2 4.03Å
202	H	98.8	Very high	98.7	Very high	86 Å²	86	61.9 Å²	61.9	40%	0.398	30%	0.298	S	S	.	.	S	Bend	trans	-98.7	-21.1	-174.5	-61.1	75.5	0	0	0	112.4	A145 Y196 F217	A145-H202 PolarHBondContact N-ND1 3.38Å; A145-H202 VanDerWaalsContact N-ND1 3.19Å; A145-H202 WeakPolarHBondContact O-CB 3.45Å; A145-H202 PolarHBondContact O-N 3.41Å; Y196-H202 WeakPolarHBondContact CE2-O 3.45Å; H202-F217 HydrophobicContact CB-CE1 4.15Å; H202-F217 HydrophobicContact CB-CZ 4.08Å
203	R	98.8	Very high	98.7	Very high	70 Å²	70	62.4 Å²	62.4	26%	0.264	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	144.6	178.9	-64.6	-178.5	-172.5	-171.1	0	110.3	A145 I146 S147 F217 E220	A145-R203 PolarHBondContact O-N 2.83Å; I146-R203 WeakPolarHBondContact CA-O 3.14Å; I146-R203 HydrophobicContact CB-CB 4.1Å; I146-R203 HydrophobicContact CD1-CB 3.87Å; I146-R203 HydrophobicContact CG1-CB 3.7Å; S147-R203 PolarHBondContact N-O 3.17Å; R203-F217 HydrophobicContact CG-CE1 4.47Å; R203-F217 VanDerWaalsContact NH2-CD2 3.35Å; R203-E220 IonicContact CZ-OE1 3.2Å; R203-E220 IonicContact CZ-OE2 3.81Å; R203-E220 IonicContact NH1-OE1 2.77Å; R203-E220 PolarHBondContact NH1-OE1 3.09Å; R203-E220 IonicContact NH2-OE1 2.74Å; R203-E220 PolarHBondContact NH2-OE1 3.48Å; R203-E220 IonicContact NH2-OE2 2.73Å; R203-E220 PolarHBondContact NH2-OE2 3.33Å
204	V	98.9	Very high	98.7	Very high	38 Å²	38	59.4 Å²	59.4	23%	0.23	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.9	169.2	-178.2	0	0	0	0	107.3	S147 K149 A192 Y196 V201	S147-V204 WeakPolarHBondContact O-CA 3.44Å; K149-V204 HydrophobicContact CB-CG1 4.38Å; K149-V204 HydrophobicContact CD-CG1 3.68Å; A192-V204 HydrophobicContact CB-CG1 3.79Å; A192-V204 HydrophobicContact CB-CG2 4.04Å; A192-V204 WeakPolarHBondContact O-CG2 3.39Å; Y196-V204 HydrophobicContact CG-CG2 4.46Å; V201-V204 HydrophobicContact CG2-CG2 4.03Å
205	V	98.9	Very high	98.6	Very high	33 Å²	33	55.5 Å²	55.5	20%	0.2	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	161	-178.6	-63	0	0	0	0	110.1	I146 S147 A148 K149 K209 L210 A213	I146-V205 HydrophobicContact CD1-CG1 4.1Å; I146-V205 HydrophobicContact CD1-CG2 4.09Å; I146-V205 HydrophobicContact CG1-CG2 4.26Å; S147-V205 PolarHBondContact O-N 3.48Å; A148-V205 CarbonylContact C-O 3.56Å; K149-V205 WeakPolarHBondContact CB-O 3.33Å; K149-V205 PolarHBondContact N-O 2.81Å; V205-K209 HydrophobicContact CB-CB 4.45Å; V205-L210 HydrophobicContact CG2-CB 4.25Å; V205-L210 HydrophobicContact CG2-CD1 4.06Å; V205-A213 HydrophobicContact CG1-CB 3.97Å; V205-A213 HydrophobicContact CG2-CB 4.13Å
206	E	98.7	Very high	98.6	Very high	118 Å²	118	61.3 Å²	61.3	55%	0.551	30%	0.299	S	S	*	.			trans	-56.7	144.6	171.1	-62.6	-54.9	133.9	0	0	110.8	D208 K209 L210	E206-D208 WeakPolarHBondContact CB-OD1 3.28Å; E206-D208 PolarHBondContact O-N 2.92Å; E206-K209 HydrophobicContact CB-CG 4.3Å; E206-K209 WeakPolarHBondContact O-CA 3.05Å; E206-K209 WeakPolarHBondContact O-CB 3.25Å; E206-K209 PolarHBondContact O-N 3.15Å; E206-L210 PolarHBondContact O-N 2.85Å
207	D	98.7	Very high	98.6	Very high	77 Å²	77	55.6 Å²	55.6	41%	0.412	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-56.3	-37.7	-171.1	-70.7	18.5	0	0	0	113	A148 K149 S150 K209 L210	A148-D207 HydrophobicContact CB-CB 4.38Å; K149-D207 PolarHBondContact N-OD1 2.99Å; S150-D207 WeakPolarHBondContact CB-OD2 3.36Å; S150-D207 PolarHBondContact N-OD1 2.87Å; S150-D207 VanDerWaalsContact OG-CG 3.29Å; S150-D207 PolarHBondContact OG-OD1 3.34Å; S150-D207 PolarHBondContact OG-OD2 3.39Å; D207-K209 VanDerWaalsContact C-N 3.26Å; D207-K209 PolarHBondContact O-N 3.21Å; D207-L210 PolarHBondContact O-N 2.99Å
208	D	98	Very high	98.6	Very high	124 Å²	124	49.4 Å²	49.4	66%	0.663	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-75.6	-12.8	179.1	71.3	-33.3	0	0	0	113.4	E206	E206-D208 WeakPolarHBondContact CB-OD1 3.28Å; E206-D208 PolarHBondContact O-N 2.92Å
209	K	98.6	Very high	98.6	Very high	98 Å²	98	51.3 Å²	51.3	43%	0.426	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-98.6	-9	176.9	-61.2	-53.8	-179.5	-175.1	0	114.2	V205 E206 D207 Y211 E212 A213	V205-K209 HydrophobicContact CB-CB 4.45Å; E206-K209 HydrophobicContact CB-CG 4.3Å; E206-K209 WeakPolarHBondContact O-CA 3.05Å; E206-K209 WeakPolarHBondContact O-CB 3.25Å; E206-K209 PolarHBondContact O-N 3.15Å; D207-K209 VanDerWaalsContact C-N 3.26Å; D207-K209 PolarHBondContact O-N 3.21Å; K209-Y211 VanDerWaalsContact C-N 3.34Å; K209-Y211 PolarHBondContact O-N 3.26Å; K209-E212 IonicContact NZ-OE2 2.82Å; K209-E212 PolarHBondContact NZ-OE2 3.2Å; K209-E212 PolarHBondContact O-N 2.99Å; K209-A213 WeakPolarHBondContact O-CB 3.19Å; K209-A213 PolarHBondContact O-N 2.74Å
210	L	98.8	Very high	98.6	Very high	9 Å²	9	52.9 Å²	52.9	5%	0.047	25%	0.252	C	S	.	.	H	α-helix	trans	-54.9	-47.3	-174.8	-179.7	63.4	0	0	0	112.7	V127 N128 I146 A148 V205 E206 D207 A213 S214	V127-L210 WeakPolarHBondContact O-CD2 3.49Å; N128-L210 HydrophobicContact CB-CD2 3.74Å; I146-L210 HydrophobicContact CD1-CD1 4.41Å; I146-L210 HydrophobicContact CG1-CD1 3.89Å; I146-L210 HydrophobicContact CG2-CD1 4.16Å; A148-L210 HydrophobicContact CB-CD2 3.93Å; V205-L210 HydrophobicContact CG2-CB 4.25Å; V205-L210 HydrophobicContact CG2-CD1 4.06Å; E206-L210 PolarHBondContact O-N 2.85Å; D207-L210 PolarHBondContact O-N 2.99Å; L210-A213 PolarHBondContact O-N 2.98Å; L210-S214 VanDerWaalsContact O-CB 3.28Å; L210-S214 WeakPolarHBondContact O-CB 3.44Å; L210-S214 PolarHBondContact O-N 3.39Å; L210-S214 PolarHBondContact O-OG 2.99Å
211	Y	98.1	Very high	98.5	Very high	87 Å²	87	53.8 Å²	53.8	34%	0.341	26%	0.256	S	S	.	.	H	α-helix	trans	-60.3	-51.2	-178.4	179.8	-97	0	0	0	111.9	I40 K209 A213 S214 I215	I40-Y211 HydrophobicContact CD1-CE2 3.98Å; K209-Y211 VanDerWaalsContact C-N 3.34Å; K209-Y211 PolarHBondContact O-N 3.26Å; Y211-A213 PolarHBondContact O-N 3.1Å; Y211-S214 PolarHBondContact O-N 2.72Å; Y211-I215 HydrophobicContact CE1-CG1 4.26Å; Y211-I215 WeakPolarHBondContact O-CG1 3.19Å; Y211-I215 PolarHBondContact O-N 3.31Å
212	E	98.5	Very high	98.4	Very high	68 Å²	68	54 Å²	54	32%	0.318	26%	0.258	S	S	.	.	H	α-helix	trans	-60.8	-47.1	-179.2	-62.3	-179.4	151.2	0	0	110.9	C15 K209 S214 I215 E216	C15-E212 PolarHBondContact SG-OE1 3.46Å; K209-E212 IonicContact NZ-OE2 2.82Å; K209-E212 PolarHBondContact NZ-OE2 3.2Å; K209-E212 PolarHBondContact O-N 2.99Å; E212-S214 VanDerWaalsContact C-N 3.34Å; E212-S214 PolarHBondContact O-N 3.41Å; E212-I215 PolarHBondContact O-N 3.12Å; E212-E216 PolarHBondContact O-N 3.32Å
213	A	98.7	Very high	98.3	Very high	12 Å²	12	56.5 Å²	56.5	10%	0.099	27%	0.27	C	S	.	.	H	α-helix	trans	-66.3	-33.6	-179.9	0	0	0	0	0	112.9	I146 V205 K209 L210 Y211 F217	I146-A213 HydrophobicContact CD1-CB 3.5Å; V205-A213 HydrophobicContact CG1-CB 3.97Å; V205-A213 HydrophobicContact CG2-CB 4.13Å; K209-A213 WeakPolarHBondContact O-CB 3.19Å; K209-A213 PolarHBondContact O-N 2.74Å; L210-A213 PolarHBondContact O-N 2.98Å; Y211-A213 PolarHBondContact O-N 3.1Å; A213-F217 VanDerWaalsContact O-CB 3.29Å; A213-F217 WeakPolarHBondContact O-CB 3.38Å; A213-F217 PolarHBondContact O-N 3.07Å
214	S	98.7	Very high	98	Very high	2 Å²	2	58 Å²	58	1%	0.014	28%	0.28	C	S	.	.	H	α-helix	trans	-66.1	-39.5	174.6	-70.3	0	0	0	0	112.1	S126 I146 L210 Y211 E212 A218	S126-S214 VanDerWaalsContact CB-OG 3.22Å; S126-S214 WeakPolarHBondContact CB-OG 3.34Å; S126-S214 PolarHBondContact OG-OG 3.22Å; I146-S214 WeakPolarHBondContact CG2-OG 3.34Å; L210-S214 VanDerWaalsContact O-CB 3.28Å; L210-S214 WeakPolarHBondContact O-CB 3.44Å; L210-S214 PolarHBondContact O-N 3.39Å; L210-S214 PolarHBondContact O-OG 2.99Å; Y211-S214 PolarHBondContact O-N 2.72Å; E212-S214 VanDerWaalsContact C-N 3.34Å; E212-S214 PolarHBondContact O-N 3.41Å; S214-A218 WeakPolarHBondContact O-CB 3.3Å; S214-A218 PolarHBondContact O-N 3.18Å
215	I	98.4	Very high	97.8	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-71	-41.9	176.1	-58.4	-50	0	0	0	111.1	F18 I34 V38 I40 Y211 E212 F217 A218 K219	F18-I215 HydrophobicContact CD1-CG2 3.99Å; F18-I215 HydrophobicContact CE1-CG2 3.64Å; F18-I215 HydrophobicContact CE2-CG2 4.35Å; F18-I215 HydrophobicContact CG-CG2 4.49Å; F18-I215 HydrophobicContact CZ-CB 4.41Å; F18-I215 HydrophobicContact CZ-CG2 3.84Å; I34-I215 HydrophobicContact CG1-CD1 4.22Å; I34-I215 HydrophobicContact CG2-CG2 4.25Å; V38-I215 HydrophobicContact CG1-CD1 4.46Å; I40-I215 HydrophobicContact CD1-CD1 3.56Å; I40-I215 HydrophobicContact CG1-CD1 4.07Å; Y211-I215 HydrophobicContact CE1-CG1 4.26Å; Y211-I215 WeakPolarHBondContact O-CG1 3.19Å; Y211-I215 PolarHBondContact O-N 3.31Å; E212-I215 PolarHBondContact O-N 3.12Å; I215-F217 VanDerWaalsContact C-N 3.33Å; I215-F217 PolarHBondContact O-N 2.64Å; I215-A218 PolarHBondContact O-N 3.23Å; I215-K219 HydrophobicContact CG2-CD 4.39Å; I215-K219 HydrophobicContact CG2-CG 4.46Å; I215-K219 WeakPolarHBondContact O-CG 3.16Å; I215-K219 PolarHBondContact O-N 3.35Å
216	E	98.5	Very high	97.6	Very high	122 Å²	122	59 Å²	59	57%	0.57	28%	0.28	S	S	*	.	H	α-helix	trans	-58.2	-46.8	173.9	-174.6	177.5	-172.1	0	0	111.1	E212 A218 K219 E220	E212-E216 PolarHBondContact O-N 3.32Å; E216-A218 VanDerWaalsContact C-N 3.32Å; E216-A218 PolarHBondContact O-N 2.89Å; E216-K219 WeakPolarHBondContact O-CB 3.32Å; E216-K219 PolarHBondContact O-N 3.48Å; E216-E220 PolarHBondContact O-N 3.46Å
217	F	98.6	Very high	97.3	Very high	17 Å²	17	57 Å²	57	8%	0.075	27%	0.274	C	S	.	.	H	α-helix	trans	-63.7	-37.4	178.5	-165.3	-165.3	0	0	0	112.2	I124 L144 I146 H202 R203 A213 I215 E220	I124-F217 HydrophobicContact CD1-CD1 4.41Å; I124-F217 HydrophobicContact CD1-CG 4.39Å; I124-F217 HydrophobicContact CG2-CD1 4.13Å; L144-F217 HydrophobicContact CB-CE1 4.02Å; L144-F217 HydrophobicContact CB-CZ 4.12Å; L144-F217 HydrophobicContact CD1-CE1 4.33Å; L144-F217 HydrophobicContact CD1-CE2 4.02Å; L144-F217 HydrophobicContact CD1-CZ 3.77Å; L144-F217 HydrophobicContact CD2-CZ 4.14Å; L144-F217 HydrophobicContact CG-CZ 4.23Å; I146-F217 HydrophobicContact CB-CD1 4.29Å; I146-F217 HydrophobicContact CG2-CD1 4.47Å; H202-F217 HydrophobicContact CB-CE1 4.15Å; H202-F217 HydrophobicContact CB-CZ 4.08Å; R203-F217 HydrophobicContact CG-CE1 4.47Å; R203-F217 VanDerWaalsContact NH2-CD2 3.35Å; A213-F217 VanDerWaalsContact O-CB 3.29Å; A213-F217 WeakPolarHBondContact O-CB 3.38Å; A213-F217 PolarHBondContact O-N 3.07Å; I215-F217 VanDerWaalsContact C-N 3.33Å; I215-F217 PolarHBondContact O-N 2.64Å; F217-E220 PolarHBondContact O-N 2.98Å
218	A	98.6	Very high	97.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.7	-40.3	171.8	0	0	0	0	0	112.2	V38 A75 V77 I124 S214 I215 E216 E220 I221 T222	V38-A218 HydrophobicContact CB-CB 4.42Å; V38-A218 HydrophobicContact CG1-CB 3.7Å; V38-A218 HydrophobicContact CG2-CB 3.78Å; A75-A218 HydrophobicContact CB-CB 4.2Å; V77-A218 HydrophobicContact CG2-CB 3.98Å; I124-A218 HydrophobicContact CD1-CB 3.89Å; S214-A218 WeakPolarHBondContact O-CB 3.3Å; S214-A218 PolarHBondContact O-N 3.18Å; I215-A218 PolarHBondContact O-N 3.23Å; E216-A218 VanDerWaalsContact C-N 3.32Å; E216-A218 PolarHBondContact O-N 2.89Å; A218-E220 VanDerWaalsContact C-N 3.29Å; A218-E220 PolarHBondContact O-N 2.98Å; A218-I221 WeakPolarHBondContact O-CA 3.43Å; A218-I221 VanDerWaalsContact O-CB 3.3Å; A218-I221 WeakPolarHBondContact O-CB 3.42Å; A218-I221 PolarHBondContact O-N 2.89Å; A218-T222 WeakPolarHBondContact O-CG2 3.33Å; A218-T222 PolarHBondContact O-N 3.17Å
219	K	98.1	Very high	97.1	Very high	70 Å²	70	51.2 Å²	51.2	30%	0.304	25%	0.246	S	C	.	.	H	α-helix	trans	-66.5	-29.8	178.8	-77.1	-172.6	172.5	-156.2	0	113.3	F18 D35 I215 E216 I221 T222 Q223	F18-K219 HydrophobicContact CE1-CD 4.1Å; F18-K219 VanDerWaalsContact CE1-NZ 3.31Å; D35-K219 WeakPolarHBondContact OD2-CE 3.4Å; D35-K219 IonicContact OD2-NZ 2.68Å; D35-K219 PolarHBondContact OD2-NZ 3.28Å; I215-K219 HydrophobicContact CG2-CD 4.39Å; I215-K219 HydrophobicContact CG2-CG 4.46Å; I215-K219 WeakPolarHBondContact O-CG 3.16Å; I215-K219 PolarHBondContact O-N 3.35Å; E216-K219 WeakPolarHBondContact O-CB 3.32Å; E216-K219 PolarHBondContact O-N 3.48Å; K219-I221 PolarHBondContact O-N 3.47Å; K219-T222 PolarHBondContact O-N 2.92Å; K219-Q223 PolarHBondContact O-N 2.97Å; K219-Q223 VanDerWaalsContact O-N 3.13Å
220	E	98.2	Very high	96.9	Very high	72 Å²	72	49.7 Å²	49.7	34%	0.336	24%	0.24	S	C	.	.	H	α-helix	trans	-59.4	-26.2	170.3	-71.2	174.1	-137	0	0	112.4	R203 E216 F217 A218 Q223 H224	R203-E220 IonicContact CZ-OE1 3.2Å; R203-E220 IonicContact CZ-OE2 3.81Å; R203-E220 IonicContact NH1-OE1 2.77Å; R203-E220 PolarHBondContact NH1-OE1 3.09Å; R203-E220 IonicContact NH2-OE1 2.74Å; R203-E220 PolarHBondContact NH2-OE1 3.48Å; R203-E220 IonicContact NH2-OE2 2.73Å; R203-E220 PolarHBondContact NH2-OE2 3.33Å; E216-E220 PolarHBondContact O-N 3.46Å; F217-E220 PolarHBondContact O-N 2.98Å; A218-E220 VanDerWaalsContact C-N 3.29Å; A218-E220 PolarHBondContact O-N 2.98Å; E220-Q223 VanDerWaalsContact O-CG 3.24Å; E220-Q223 WeakPolarHBondContact O-CG 3.45Å; E220-Q223 PolarHBondContact O-NE2 2.87Å; E220-H224 PolarHBondContact O-CD2 3.4Å; E220-H224 VanDerWaalsContact O-CD2 3.26Å; E220-H224 PolarHBondContact O-NE2 3.15Å
221	I	97.8	Very high	96.8	Very high	23 Å²	23	50.7 Å²	50.7	12%	0.118	25%	0.245	C	C	.	.	H	α-helix	trans	-86.1	-46.5	174.1	-54.2	174.1	0	0	0	110.4	P122 I124 L144 A218 K219 Q223 H224 V229	P122-I221 HydrophobicContact CB-CD1 3.91Å; P122-I221 HydrophobicContact CB-CG2 4.26Å; P122-I221 HydrophobicContact CG-CD1 4.5Å; P122-I221 HydrophobicContact CG-CG2 3.79Å; I124-I221 HydrophobicContact CD1-CD1 3.86Å; I124-I221 HydrophobicContact CG1-CD1 4.26Å; L144-I221 HydrophobicContact CD1-CD1 3.68Å; A218-I221 WeakPolarHBondContact O-CA 3.43Å; A218-I221 VanDerWaalsContact O-CB 3.3Å; A218-I221 WeakPolarHBondContact O-CB 3.42Å; A218-I221 PolarHBondContact O-N 2.89Å; K219-I221 PolarHBondContact O-N 3.47Å; I221-Q223 PolarHBondContact O-N 2.81Å; I221-H224 WeakPolarHBondContact O-CB 3.36Å; I221-H224 PolarHBondContact O-N 3.26Å; I221-V229 HydrophobicContact CG2-CG1 4.31Å
222	T	97.2	Very high	96.7	Very high	7 Å²	7	48.5 Å²	48.5	4%	0.043	25%	0.249	C	C	.	.	H	α-helix	trans	-70.3	-17.8	-171.3	74.8	0	0	0	0	114.5	E37 V38 K74 A75 A218 K219 H224	E37-T222 HydrophobicContact CB-CG2 4.13Å; E37-T222 WeakPolarHBondContact OE2-CB 3.45Å; E37-T222 PolarHBondContact OE2-OG1 3.06Å; E37-T222 VanDerWaalsContact OE2-OG1 3.1Å; V38-T222 HydrophobicContact CG2-CG2 3.64Å; K74-T222 HydrophobicContact CB-CG2 3.67Å; K74-T222 HydrophobicContact CD-CG2 4.48Å; K74-T222 WeakPolarHBondContact CD-O 3.22Å; K74-T222 PolarHBondContact NZ-O 3.3Å; K74-T222 VanDerWaalsContact NZ-O 3.09Å; A75-T222 HydrophobicContact CB-CG2 3.9Å; A218-T222 WeakPolarHBondContact O-CG2 3.33Å; A218-T222 PolarHBondContact O-N 3.17Å; K219-T222 PolarHBondContact O-N 2.92Å; T222-H224 PolarHBondContact O-N 3.25Å
223	Q	95.1	Very high	96.6	Very high	138 Å²	138	46.1 Å²	46.1	65%	0.645	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.8	169.4	65.7	178	-27.8	0	0	113.5	K219 E220 I221	K219-Q223 PolarHBondContact O-N 2.97Å; K219-Q223 VanDerWaalsContact O-N 3.13Å; E220-Q223 VanDerWaalsContact O-CG 3.24Å; E220-Q223 WeakPolarHBondContact O-CG 3.45Å; E220-Q223 PolarHBondContact O-NE2 2.87Å; I221-Q223 PolarHBondContact O-N 2.81Å
224	H	94.1	Very high	96.5	Very high	103 Å²	103	49.7 Å²	49.7	48%	0.477	25%	0.252	S	S	.	.	S	Bend	trans	-90	157.9	176.8	-60.1	-53.5	0	0	0	111.6	E220 I221 T222 K226 V229	E220-H224 PolarHBondContact O-CD2 3.4Å; E220-H224 VanDerWaalsContact O-CD2 3.26Å; E220-H224 PolarHBondContact O-NE2 3.15Å; I221-H224 WeakPolarHBondContact O-CB 3.36Å; I221-H224 PolarHBondContact O-N 3.26Å; T222-H224 PolarHBondContact O-N 3.25Å; H224-K226 PolarHBondContact O-N 3.42Å; H224-V229 HydrophobicContact CB-CG2 3.81Å
225	N	93.2	Very high	96.4	Very high	53 Å²	53	50.6 Å²	50.6	28%	0.283	26%	0.257	S	S	.	.			trans	-64.2	126.2	175.8	178.7	-57.3	0	0	0	109.7	D227 V228 V229	N225-D227 PolarHBondContact O-N 3.43Å; N225-D227 WeakPolarHBondContact OD1-CB 3.44Å; N225-D227 PolarHBondContact OD1-N 2.81Å; N225-V228 HydrophobicContact CB-CB 4.2Å; N225-V228 HydrophobicContact CB-CG2 3.76Å; N225-V228 WeakPolarHBondContact O-CB 3.48Å; N225-V228 PolarHBondContact O-N 3.28Å; N225-V228 PolarHBondContact OD1-N 2.92Å; N225-V229 WeakPolarHBondContact O-CG2 3.35Å; N225-V229 PolarHBondContact O-N 3.04Å; N225-V229 VanDerWaalsContact O-N 3.07Å
226	K	94.3	Very high	96.3	Very high	37 Å²	37	55.8 Å²	55.8	16%	0.161	28%	0.284	C	S	.	.	H	α-helix	trans	-58.2	-44.5	-176.1	-179.1	176.4	167.8	168.9	0	112.6	S70 Q71 I73 K74 H224 V228 V229 Q230	S70-K226 PolarHBondContact O-NZ 3.06Å; Q71-K226 PolarHBondContact O-NZ 3.27Å; I73-K226 VanDerWaalsContact O-CE 3.29Å; I73-K226 WeakPolarHBondContact O-CE 3.45Å; I73-K226 PolarHBondContact O-NZ 3.07Å; K74-K226 HydrophobicContact CG-CB 4.13Å; K74-K226 HydrophobicContact CG-CD 4.14Å; K74-K226 HydrophobicContact CG-CG 4.32Å; H224-K226 PolarHBondContact O-N 3.42Å; K226-V228 VanDerWaalsContact C-N 3.3Å; K226-V228 PolarHBondContact O-N 3.3Å; K226-V229 PolarHBondContact O-N 3.36Å; K226-Q230 WeakPolarHBondContact O-CB 3.37Å; K226-Q230 PolarHBondContact O-N 3.38Å
227	D	94.1	Very high	96	Very high	78 Å²	78	53.5 Å²	53.5	42%	0.417	27%	0.273	S	S	.	.	H	α-helix	trans	-67.1	-36.4	-176.6	-60	-24	0	0	0	110.8	N225 L231 L261	N225-D227 PolarHBondContact O-N 3.43Å; N225-D227 WeakPolarHBondContact OD1-CB 3.44Å; N225-D227 PolarHBondContact OD1-N 2.81Å; D227-L231 VanDerWaalsContact O-CB 3.28Å; D227-L231 WeakPolarHBondContact O-CB 3.28Å; D227-L231 PolarHBondContact O-N 2.93Å; D227-L261 HydrophobicContact CB-CD1 3.91Å; D227-L261 HydrophobicContact CB-CD2 4.16Å
228	V	95.4	Very high	95.8	Very high	45 Å²	45	57.5 Å²	57.5	27%	0.273	29%	0.291	S	S	.	.	H	α-helix	trans	-64.2	-47.7	174.3	179.2	0	0	0	0	110.6	N225 K226 G232 N258 L261	N225-V228 HydrophobicContact CB-CB 4.2Å; N225-V228 HydrophobicContact CB-CG2 3.76Å; N225-V228 WeakPolarHBondContact O-CB 3.48Å; N225-V228 PolarHBondContact O-N 3.28Å; N225-V228 PolarHBondContact OD1-N 2.92Å; K226-V228 VanDerWaalsContact C-N 3.3Å; K226-V228 PolarHBondContact O-N 3.3Å; V228-G232 PolarHBondContact O-N 3.43Å; V228-N258 WeakPolarHBondContact CG2-OD1 3.36Å; V228-L261 HydrophobicContact CB-CD1 4.47Å; V228-L261 HydrophobicContact CG2-CD1 3.87Å
229	V	95.9	Very high	95.7	Very high	34 Å²	34	60.4 Å²	60.4	21%	0.206	30%	0.304	C	S	.	.	H	α-helix	trans	-62.7	-44.8	178.4	172.7	0	0	0	0	110.7	P122 I221 H224 N225 K226 G232 R233	P122-V229 HydrophobicContact CG-CG1 3.42Å; P122-V229 VanDerWaalsContact CG-CG1 3.42Å; I221-V229 HydrophobicContact CG2-CG1 4.31Å; H224-V229 HydrophobicContact CB-CG2 3.81Å; N225-V229 WeakPolarHBondContact O-CG2 3.35Å; N225-V229 PolarHBondContact O-N 3.04Å; N225-V229 VanDerWaalsContact O-N 3.07Å; K226-V229 PolarHBondContact O-N 3.36Å; V229-G232 PolarHBondContact O-N 3.05Å; V229-R233 WeakPolarHBondContact O-CB 3.4Å; V229-R233 PolarHBondContact O-N 3.27Å
230	Q	95.7	Very high	95.5	Very high	66 Å²	66	60.6 Å²	60.6	31%	0.308	32%	0.319	S	S	.	.	H	α-helix	trans	-61.5	-50.5	178.7	178.4	172	-15.6	0	0	111.6	P120 K226 G232 R233 E234	P120-Q230 HydrophobicContact CB-CG 4.27Å; P120-Q230 VanDerWaalsContact O-CB 3.3Å; P120-Q230 WeakPolarHBondContact O-CB 3.41Å; P120-Q230 VanDerWaalsContact O-CG 3.25Å; P120-Q230 WeakPolarHBondContact O-CG 3.22Å; K226-Q230 WeakPolarHBondContact O-CB 3.37Å; K226-Q230 PolarHBondContact O-N 3.38Å; Q230-G232 VanDerWaalsContact C-N 3.35Å; Q230-G232 PolarHBondContact O-N 2.93Å; Q230-R233 PolarHBondContact O-N 2.72Å; Q230-E234 WeakPolarHBondContact O-CB 3.21Å; Q230-E234 PolarHBondContact O-N 3.05Å
231	L	95.9	Very high	95.2	Very high	29 Å²	29	62.3 Å²	62.3	15%	0.152	34%	0.339	C	S	.	.	H	α-helix	trans	-60.1	-44.8	178	175.5	62.1	0	0	0	111.7	D227 T235 A254 K257 N258 L261	D227-L231 VanDerWaalsContact O-CB 3.28Å; D227-L231 WeakPolarHBondContact O-CB 3.28Å; D227-L231 PolarHBondContact O-N 2.93Å; L231-T235 WeakPolarHBondContact O-CB 3.39Å; L231-T235 PolarHBondContact O-N 3.35Å; L231-T235 PolarHBondContact O-OG1 3.45Å; L231-A254 HydrophobicContact CD1-CB 4.36Å; L231-K257 HydrophobicContact CD2-CB 4.03Å; L231-N258 HydrophobicContact CD2-CB 3.79Å; L231-L261 HydrophobicContact CD2-CD1 4.16Å
232	G	96.2	Very high	95.2	Very high	41 Å²	41	64.8 Å²	64.8	42%	0.423	35%	0.351	S	S	.	.	H	α-helix	trans	-62.9	-47.2	178.4	0	0	0	0	0	112.1	V228 V229 Q230 T235 L236	V228-G232 PolarHBondContact O-N 3.43Å; V229-G232 PolarHBondContact O-N 3.05Å; Q230-G232 VanDerWaalsContact C-N 3.35Å; Q230-G232 PolarHBondContact O-N 2.93Å; G232-T235 PolarHBondContact O-N 2.72Å; G232-L236 VanDerWaalsContact O-CB 3.31Å; G232-L236 WeakPolarHBondContact O-CB 3.45Å; G232-L236 PolarHBondContact O-N 2.84Å
233	R	96	Very high	95.2	Very high	19 Å²	19	68.5 Å²	68.5	7%	0.072	38%	0.375	C	S	.	.	H	α-helix	trans	-61.5	-49.7	178.3	-179	-176.7	-177.5	-65.5	-11.4	111.9	L116 A117 F119 D143 V229 Q230 T235 L236 H237	L116-R233 PolarHBondContact O-NH2 3.33Å; A117-R233 PolarHBondContact O-NH1 3.34Å; A117-R233 PolarHBondContact O-NH2 3.44Å; F119-R233 VanDerWaalsContact O-CZ 3.29Å; F119-R233 PolarHBondContact O-NH1 2.83Å; D143-R233 VanDerWaalsContact CG-NE 3.35Å; D143-R233 VanDerWaalsContact CG-NH2 3.28Å; D143-R233 IonicContact OD1-CZ 3.35Å; D143-R233 IonicContact OD1-NE 3.16Å; D143-R233 PolarHBondContact OD1-NE 3.37Å; D143-R233 VanDerWaalsContact OD1-NE 3.16Å; D143-R233 IonicContact OD1-NH2 2.87Å; D143-R233 PolarHBondContact OD1-NH2 2.87Å; D143-R233 IonicContact OD2-CZ 3.35Å; D143-R233 IonicContact OD2-NE 2.91Å; D143-R233 PolarHBondContact OD2-NE 3Å; D143-R233 IonicContact OD2-NH2 2.9Å; D143-R233 PolarHBondContact OD2-NH2 3.34Å; V229-R233 WeakPolarHBondContact O-CB 3.4Å; V229-R233 PolarHBondContact O-N 3.27Å; Q230-R233 PolarHBondContact O-N 2.72Å; R233-T235 VanDerWaalsContact C-N 3.3Å; R233-T235 PolarHBondContact O-N 3.21Å; R233-L236 PolarHBondContact O-N 3.43Å; R233-H237 PolarHBondContact NH2-NE2 3.34Å; R233-H237 PolarHBondContact O-CD2 3.11Å; R233-H237 PolarHBondContact O-N 2.91Å
234	E	95.9	Very high	95.3	Very high	87 Å²	87	67.4 Å²	67.4	41%	0.407	37%	0.373	S	S	.	.	H	α-helix	trans	-58.1	-45.1	177.9	-178.4	-176.3	178.1	0	0	111.2	Q230 K238	Q230-E234 WeakPolarHBondContact O-CB 3.21Å; Q230-E234 PolarHBondContact O-N 3.05Å; E234-K238 HydrophobicContact CG-CD 4.24Å; E234-K238 WeakPolarHBondContact O-CG 3.4Å; E234-K238 PolarHBondContact O-N 2.97Å; E234-K238 VanDerWaalsContact O-N 3.09Å; E234-K238 WeakPolarHBondContact OE1-CE 3.4Å; E234-K238 IonicContact OE1-NZ 2.7Å; E234-K238 PolarHBondContact OE1-NZ 3.29Å
235	T	96.8	Very high	95.5	Very high	21 Å²	21	68.7 Å²	68.7	13%	0.129	38%	0.381	C	S	.	.	H	α-helix	trans	-63.6	-43.8	178	-55.8	0	0	0	0	111.1	L231 G232 R233 K238 Q239 A254	L231-T235 WeakPolarHBondContact O-CB 3.39Å; L231-T235 PolarHBondContact O-N 3.35Å; L231-T235 PolarHBondContact O-OG1 3.45Å; G232-T235 PolarHBondContact O-N 2.72Å; R233-T235 VanDerWaalsContact C-N 3.3Å; R233-T235 PolarHBondContact O-N 3.21Å; T235-K238 PolarHBondContact O-N 3.2Å; T235-Q239 WeakPolarHBondContact O-CB 3.23Å; T235-Q239 VanDerWaalsContact O-CG 3.22Å; T235-Q239 WeakPolarHBondContact O-CG 3.44Å; T235-Q239 PolarHBondContact O-N 2.87Å; T235-A254 HydrophobicContact CG2-CB 3.7Å; T235-A254 VanDerWaalsContact OG1-CB 3.29Å; T235-A254 WeakPolarHBondContact OG1-CB 3.17Å
236	L	95.8	Very high	95.8	Very high	110 Å²	110	70.4 Å²	70.4	58%	0.576	39%	0.39	S	S	*	.	H	α-helix	trans	-60.6	-46.9	-179.9	-177.2	68.3	0	0	0	112	G232 R233 Q239 A240	G232-L236 VanDerWaalsContact O-CB 3.31Å; G232-L236 WeakPolarHBondContact O-CB 3.45Å; G232-L236 PolarHBondContact O-N 2.84Å; R233-L236 PolarHBondContact O-N 3.43Å; L236-Q239 WeakPolarHBondContact O-CG 3.4Å; L236-Q239 PolarHBondContact O-NE2 3.42Å; L236-A240 WeakPolarHBondContact O-CB 3.44Å; L236-A240 PolarHBondContact O-N 3.29Å
237	H	93.7	Very high	95.9	Very high	73 Å²	73	69 Å²	69	34%	0.338	39%	0.386	S	S	.	.	H	α-helix	trans	-64.1	-42.5	177.7	-85.1	-76.7	0	0	0	111.9	D143 R233	D143-H237 IonicContact OD1-CE1 3.74Å; D143-H237 IonicContact OD1-NE2 2.95Å; D143-H237 PolarHBondContact OD1-NE2 3.23Å; R233-H237 PolarHBondContact NH2-NE2 3.34Å; R233-H237 PolarHBondContact O-CD2 3.11Å; R233-H237 PolarHBondContact O-N 2.91Å
238	K	94.5	Very high	96.2	Very high	102 Å²	102	72.2 Å²	72.2	44%	0.443	39%	0.393	S	S	.	.	H	α-helix	trans	-65.6	-48.2	178.3	-73.5	178.4	-174.4	177.6	0	112.5	E234 T235 A240 S241 M242 I250	E234-K238 HydrophobicContact CG-CD 4.24Å; E234-K238 WeakPolarHBondContact O-CG 3.4Å; E234-K238 PolarHBondContact O-N 2.97Å; E234-K238 VanDerWaalsContact O-N 3.09Å; E234-K238 WeakPolarHBondContact OE1-CE 3.4Å; E234-K238 IonicContact OE1-NZ 2.7Å; E234-K238 PolarHBondContact OE1-NZ 3.29Å; T235-K238 PolarHBondContact O-N 3.2Å; K238-A240 VanDerWaalsContact C-N 3.26Å; K238-A240 PolarHBondContact O-N 3.08Å; K238-S241 PolarHBondContact O-OG 2.86Å; K238-M242 HydrophobicContact CB-CE 4.29Å; K238-M242 WeakPolarHBondContact O-CG 3.39Å; K238-I250 HydrophobicContact CB-CD1 3.89Å
239	Q	96.3	Very high	96.3	Very high	60 Å²	60	72.6 Å²	72.6	28%	0.28	40%	0.401	S	S	.	.	H	α-helix	trans	-69	-26.1	-174.9	69.4	75.1	45.6	0	0	112.7	T235 L236 S241 M242 A247 I250	T235-Q239 WeakPolarHBondContact O-CB 3.23Å; T235-Q239 VanDerWaalsContact O-CG 3.22Å; T235-Q239 WeakPolarHBondContact O-CG 3.44Å; T235-Q239 PolarHBondContact O-N 2.87Å; L236-Q239 WeakPolarHBondContact O-CG 3.4Å; L236-Q239 PolarHBondContact O-NE2 3.42Å; Q239-S241 PolarHBondContact O-N 3.46Å; Q239-S241 VanDerWaalsContact O-N 3.1Å; Q239-M242 PolarHBondContact O-N 2.96Å; Q239-A247 HydrophobicContact CB-CB 3.9Å; Q239-I250 HydrophobicContact CB-CD1 3.83Å; Q239-I250 HydrophobicContact CB-CG1 4.23Å
240	A	94.2	Very high	96.4	Very high	75 Å²	75	73.5 Å²	73.5	62%	0.62	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.1	-173.3	0	0	0	0	0	113.9	L236 K238	L236-A240 WeakPolarHBondContact O-CB 3.44Å; L236-A240 PolarHBondContact O-N 3.29Å; K238-A240 VanDerWaalsContact C-N 3.26Å; K238-A240 PolarHBondContact O-N 3.08Å
241	S	91.2	Very high	96.5	Very high	107 Å²	107	72 Å²	72	75%	0.748	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	4.7	177.4	60.4	0	0	0	0	113.7	K238 Q239	K238-S241 PolarHBondContact O-OG 2.86Å; Q239-S241 PolarHBondContact O-N 3.46Å; Q239-S241 VanDerWaalsContact O-N 3.1Å
242	M	96.7	Very high	96.6	Very high	75 Å²	75	73.8 Å²	73.8	37%	0.369	42%	0.418	S	S	.	.	S	Bend	trans	-96.1	154.9	-175.3	-70.6	-179.8	176	0	0	113.3	K238 Q239 D246 A247 I250	K238-M242 HydrophobicContact CB-CE 4.29Å; K238-M242 WeakPolarHBondContact O-CG 3.39Å; Q239-M242 PolarHBondContact O-N 2.96Å; M242-D246 HydrophobicContact CB-CB 4.37Å; M242-A247 HydrophobicContact CB-CB 4.21Å; M242-I250 HydrophobicContact CE-CD1 3.94Å; M242-I250 HydrophobicContact SD-CD1 3.49Å; M242-I250 WeakPolarHBondContact SD-CD1 3.43Å; M242-I250 HydrophobicContact SD-CG1 4.08Å; M242-I250 HydrophobicContact SD-CG2 4.5Å
243	P	98	Very high	96.7	Very high	85 Å²	85	76.3 Å²	76.3	55%	0.552	42%	0.422	S	S	*	.			trans	-57.2	149.4	162.9	-22	34.1	0	0	0	111.7	M245 D246 A247	P243-M245 VanDerWaalsContact C-N 3.31Å; P243-M245 PolarHBondContact O-N 3.42Å; P243-M245 VanDerWaalsContact O-N 3.17Å; P243-D246 WeakPolarHBondContact CG-OD2 3.38Å; P243-D246 PolarHBondContact O-N 3.14Å; P243-D246 VanDerWaalsContact O-N 3.1Å; P243-A247 PolarHBondContact O-N 3.04Å
244	L	97.9	Very high	96.8	Very high	115 Å²	115	76 Å²	76	60%	0.602	42%	0.423	S	S	*	.	H	α-helix	trans	-53.9	-42.1	-171	-174.1	65.9	0	0	0	114.1	Y248	L244-Y248 HydrophobicContact CD1-CD2 4.03Å; L244-Y248 HydrophobicContact CD1-CE2 3.57Å; L244-Y248 HydrophobicContact CD2-CE2 4.4Å; L244-Y248 HydrophobicContact CG-CD2 4Å; L244-Y248 HydrophobicContact CG-CE2 3.83Å; L244-Y248 VanDerWaalsContact O-CD2 3.27Å; L244-Y248 WeakPolarHBondContact O-CD2 3.45Å; L244-Y248 PolarHBondContact O-N 3.37Å; L244-Y248 VanDerWaalsContact O-N 3.09Å
245	M	98.1	Very high	96.8	Very high	130 Å²	130	77.5 Å²	77.5	64%	0.64	43%	0.432	S	S	*	.	H	α-helix	trans	-68.9	-41	-178.4	-62.5	-60	95.4	0	0	111.8	P243 Y248 A249	P243-M245 VanDerWaalsContact C-N 3.31Å; P243-M245 PolarHBondContact O-N 3.42Å; P243-M245 VanDerWaalsContact O-N 3.17Å; M245-Y248 HydrophobicContact CE-CD2 4.32Å; M245-Y248 PolarHBondContact O-N 3.02Å; M245-A249 PolarHBondContact O-N 3.09Å; M245-A249 VanDerWaalsContact O-N 3.08Å
246	D	98.3	Very high	96.9	Very high	90 Å²	90	80.8 Å²	80.8	48%	0.481	45%	0.451	S	S	.	.	H	α-helix	trans	-68.2	-39.7	177.8	-58	-33.2	0	0	0	110.9	M242 P243 Y248 A249 I250	M242-D246 HydrophobicContact CB-CB 4.37Å; P243-D246 WeakPolarHBondContact CG-OD2 3.38Å; P243-D246 PolarHBondContact O-N 3.14Å; P243-D246 VanDerWaalsContact O-N 3.1Å; D246-Y248 PolarHBondContact O-N 3.09Å; D246-A249 PolarHBondContact O-N 2.9Å; D246-I250 PolarHBondContact O-N 2.84Å; D246-I250 VanDerWaalsContact O-N 3.11Å
247	A	98.3	Very high	96.9	Very high	8 Å²	8	81.6 Å²	81.6	7%	0.066	45%	0.45	C	S	.	.	H	α-helix	trans	-57.9	-46.5	173.6	0	0	0	0	0	112.1	Q239 M242 P243 I250 A251	Q239-A247 HydrophobicContact CB-CB 3.9Å; M242-A247 HydrophobicContact CB-CB 4.21Å; P243-A247 PolarHBondContact O-N 3.04Å; A247-I250 WeakPolarHBondContact O-CG1 3.45Å; A247-A251 VanDerWaalsContact O-CB 3.25Å; A247-A251 WeakPolarHBondContact O-CB 3.47Å; A247-A251 PolarHBondContact O-N 3.14Å
248	Y	98.4	Very high	97	Very high	145 Å²	145	79.9 Å²	79.9	57%	0.569	44%	0.444	S	S	*	.	H	α-helix	trans	-66.7	-35.3	176.8	-84.4	-60.6	0	0	0	113.3	L244 M245 D246 A251 S252	L244-Y248 HydrophobicContact CD1-CD2 4.03Å; L244-Y248 HydrophobicContact CD1-CE2 3.57Å; L244-Y248 HydrophobicContact CD2-CE2 4.4Å; L244-Y248 HydrophobicContact CG-CD2 4Å; L244-Y248 HydrophobicContact CG-CE2 3.83Å; L244-Y248 VanDerWaalsContact O-CD2 3.27Å; L244-Y248 WeakPolarHBondContact O-CD2 3.45Å; L244-Y248 PolarHBondContact O-N 3.37Å; L244-Y248 VanDerWaalsContact O-N 3.09Å; M245-Y248 HydrophobicContact CE-CD2 4.32Å; M245-Y248 PolarHBondContact O-N 3.02Å; D246-Y248 PolarHBondContact O-N 3.09Å; Y248-A251 PolarHBondContact O-N 3.23Å; Y248-S252 WeakPolarHBondContact O-CB 3.22Å; Y248-S252 PolarHBondContact O-N 2.85Å; Y248-S252 PolarHBondContact O-OG 3.19Å
249	A	98.1	Very high	97	Very high	53 Å²	53	78.6 Å²	78.6	44%	0.438	44%	0.441	S	S	.	.	H	α-helix	trans	-60.9	-52.9	177.2	0	0	0	0	0	110.7	M245 D246 A251 S252 D253	M245-A249 PolarHBondContact O-N 3.09Å; M245-A249 VanDerWaalsContact O-N 3.08Å; D246-A249 PolarHBondContact O-N 2.9Å; A249-A251 VanDerWaalsContact C-N 3.33Å; A249-A251 PolarHBondContact O-N 3.05Å; A249-S252 PolarHBondContact O-N 3.41Å; A249-D253 PolarHBondContact O-N 3.33Å; A249-D253 VanDerWaalsContact O-N 3.12Å
250	I	97.8	Very high	96.9	Very high	52 Å²	52	81.8 Å²	81.8	27%	0.267	46%	0.456	S	S	.	.	H	α-helix	trans	-68.4	-32.5	-179.5	67.5	159.2	0	0	0	112.8	K238 Q239 M242 D246 A247 D253 A254	K238-I250 HydrophobicContact CB-CD1 3.89Å; Q239-I250 HydrophobicContact CB-CD1 3.83Å; Q239-I250 HydrophobicContact CB-CG1 4.23Å; M242-I250 HydrophobicContact CE-CD1 3.94Å; M242-I250 HydrophobicContact SD-CD1 3.49Å; M242-I250 WeakPolarHBondContact SD-CD1 3.43Å; M242-I250 HydrophobicContact SD-CG1 4.08Å; M242-I250 HydrophobicContact SD-CG2 4.5Å; D246-I250 PolarHBondContact O-N 2.84Å; D246-I250 VanDerWaalsContact O-N 3.11Å; A247-I250 WeakPolarHBondContact O-CG1 3.45Å; I250-D253 PolarHBondContact O-N 2.99Å; I250-A254 WeakPolarHBondContact O-CB 3.38Å; I250-A254 PolarHBondContact O-N 3.45Å
251	A	98.2	Very high	96.8	Very high	34 Å²	34	80.4 Å²	80.4	28%	0.281	44%	0.438	S	S	.	.	H	α-helix	trans	-67.6	-38.9	176.9	0	0	0	0	0	111.7	A247 Y248 A249 A254 M255	A247-A251 VanDerWaalsContact O-CB 3.25Å; A247-A251 WeakPolarHBondContact O-CB 3.47Å; A247-A251 PolarHBondContact O-N 3.14Å; Y248-A251 PolarHBondContact O-N 3.23Å; A249-A251 VanDerWaalsContact C-N 3.33Å; A249-A251 PolarHBondContact O-N 3.05Å; A251-A254 PolarHBondContact O-N 3.16Å; A251-M255 WeakPolarHBondContact O-CG 3.41Å; A251-M255 PolarHBondContact O-N 3.28Å
252	S	98.3	Very high	96.3	Very high	68 Å²	68	81.3 Å²	81.3	48%	0.476	43%	0.434	S	S	.	.	H	α-helix	trans	-65.6	-43.6	176	-58.6	0	0	0	0	111.4	Y248 A249 A254 M255 V256	Y248-S252 WeakPolarHBondContact O-CB 3.22Å; Y248-S252 PolarHBondContact O-N 2.85Å; Y248-S252 PolarHBondContact O-OG 3.19Å; A249-S252 PolarHBondContact O-N 3.41Å; S252-A254 VanDerWaalsContact C-N 3.33Å; S252-A254 PolarHBondContact O-N 2.79Å; S252-M255 WeakPolarHBondContact O-CB 3.18Å; S252-M255 PolarHBondContact O-N 2.92Å; S252-V256 PolarHBondContact O-N 3.15Å; S252-V256 VanDerWaalsContact O-N 3.11Å
253	D	98	Very high	95.7	Very high	94 Å²	94	81.7 Å²	81.7	50%	0.503	44%	0.438	S	S	.	.	H	α-helix	trans	-61.8	-41	174.9	-75.5	-9	0	0	0	111.9	A249 I250 M255 V256 K257	A249-D253 PolarHBondContact O-N 3.33Å; A249-D253 VanDerWaalsContact O-N 3.12Å; I250-D253 PolarHBondContact O-N 2.99Å; D253-M255 VanDerWaalsContact C-N 3.33Å; D253-M255 PolarHBondContact O-N 2.82Å; D253-V256 PolarHBondContact O-N 3.45Å; D253-K257 WeakPolarHBondContact O-CG 3.4Å; D253-K257 PolarHBondContact O-N 3.48Å
254	A	97.6	Very high	95.3	Very high	12 Å²	12	78.5 Å²	78.5	10%	0.099	42%	0.417	C	S	.	.	H	α-helix	trans	-62	-39.6	175.2	0	0	0	0	0	111.9	L231 T235 I250 A251 S252 K257 N258	L231-A254 HydrophobicContact CD1-CB 4.36Å; T235-A254 HydrophobicContact CG2-CB 3.7Å; T235-A254 VanDerWaalsContact OG1-CB 3.29Å; T235-A254 WeakPolarHBondContact OG1-CB 3.17Å; I250-A254 WeakPolarHBondContact O-CB 3.38Å; I250-A254 PolarHBondContact O-N 3.45Å; A251-A254 PolarHBondContact O-N 3.16Å; S252-A254 VanDerWaalsContact C-N 3.33Å; S252-A254 PolarHBondContact O-N 2.79Å; A254-K257 PolarHBondContact O-N 3.07Å; A254-N258 VanDerWaalsContact O-CB 3.31Å; A254-N258 WeakPolarHBondContact O-CB 3.2Å; A254-N258 PolarHBondContact O-N 3.49Å
255	M	97.5	Very high	94.9	Very high	119 Å²	119	79.7 Å²	79.7	59%	0.586	42%	0.417	S	S	*	.	H	α-helix	trans	-61.6	-43.9	174.8	-74.2	-64	-66.6	0	0	112.2	A251 S252 D253 N258 L259	A251-M255 WeakPolarHBondContact O-CG 3.41Å; A251-M255 PolarHBondContact O-N 3.28Å; S252-M255 WeakPolarHBondContact O-CB 3.18Å; S252-M255 PolarHBondContact O-N 2.92Å; D253-M255 VanDerWaalsContact C-N 3.33Å; D253-M255 PolarHBondContact O-N 2.82Å; M255-N258 PolarHBondContact O-N 2.73Å; M255-L259 WeakPolarHBondContact O-CG 3.39Å; M255-L259 PolarHBondContact O-N 2.84Å
256	V	97.1	Very high	94.4	Very high	89 Å²	89	79.5 Å²	79.5	54%	0.539	42%	0.415	S	S	.	.	H	α-helix	trans	-63.9	-44.2	176.3	175.9	0	0	0	0	110.9	S252 D253 N258 L259	S252-V256 PolarHBondContact O-N 3.15Å; S252-V256 VanDerWaalsContact O-N 3.11Å; D253-V256 PolarHBondContact O-N 3.45Å; V256-N258 VanDerWaalsContact C-N 3.34Å; V256-N258 PolarHBondContact O-N 3.06Å; V256-L259 PolarHBondContact O-N 2.84Å
257	K	96.6	Very high	94	Very high	128 Å²	128	79 Å²	79	56%	0.557	42%	0.418	S	S	*	.	H	α-helix	trans	-60.2	-43.1	175.8	-72.4	170.9	-175	172.6	0	111.8	L231 D253 A254 L259 Q260 L261	L231-K257 HydrophobicContact CD2-CB 4.03Å; D253-K257 WeakPolarHBondContact O-CG 3.4Å; D253-K257 PolarHBondContact O-N 3.48Å; A254-K257 PolarHBondContact O-N 3.07Å; K257-L259 VanDerWaalsContact C-N 3.3Å; K257-L259 PolarHBondContact O-N 3.44Å; K257-Q260 WeakPolarHBondContact O-CB 3.24Å; K257-Q260 PolarHBondContact O-N 2.89Å; K257-L261 PolarHBondContact O-N 3.12Å
258	N	96.4	Very high	93.8	Very high	37 Å²	37	82.7 Å²	82.7	20%	0.198	44%	0.435	C	S	.	.	H	α-helix	trans	-60.8	-38.1	179.2	-169.6	25.7	0	0	0	112.5	V228 L231 A254 M255 V256 Q260 L261 T264	V228-N258 WeakPolarHBondContact CG2-OD1 3.36Å; L231-N258 HydrophobicContact CD2-CB 3.79Å; A254-N258 VanDerWaalsContact O-CB 3.31Å; A254-N258 WeakPolarHBondContact O-CB 3.2Å; A254-N258 PolarHBondContact O-N 3.49Å; M255-N258 PolarHBondContact O-N 2.73Å; V256-N258 VanDerWaalsContact C-N 3.34Å; V256-N258 PolarHBondContact O-N 3.06Å; N258-Q260 PolarHBondContact O-N 3.16Å; N258-L261 WeakPolarHBondContact O-CB 3.3Å; N258-L261 PolarHBondContact O-N 3.28Å; N258-L261 VanDerWaalsContact O-N 3.08Å; N258-T264 WeakPolarHBondContact O-CB 3.35Å; N258-T264 PolarHBondContact O-OG1 3.13Å
259	L	94.9	Very high	93.5	Very high	75 Å²	75	80.5 Å²	80.5	39%	0.393	43%	0.43	S	S	.	.	H	α-helix	trans	-65.3	-18.4	175	-71.4	170.9	0	0	0	113.8	M255 V256 K257 T264 I268	M255-L259 WeakPolarHBondContact O-CG 3.39Å; M255-L259 PolarHBondContact O-N 2.84Å; V256-L259 PolarHBondContact O-N 2.84Å; K257-L259 VanDerWaalsContact C-N 3.3Å; K257-L259 PolarHBondContact O-N 3.44Å; L259-T264 HydrophobicContact CD2-CG2 4.24Å; L259-I268 HydrophobicContact CD2-CD1 4.09Å
260	Q	93.5	Very high	93.2	Very high	127 Å²	127	80.9 Å²	80.9	59%	0.593	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-9	174.5	-50.5	-50.5	-37.2	0	0	113.2	K257 N258	K257-Q260 WeakPolarHBondContact O-CB 3.24Å; K257-Q260 PolarHBondContact O-N 2.89Å; N258-Q260 PolarHBondContact O-N 3.16Å
261	L	92.2	Very high	92.9	Very high	45 Å²	45	84.1 Å²	84.1	24%	0.236	44%	0.442	C	S	.	.	S	Bend	trans	-64.9	146.7	173.8	-66.8	-179.9	0	0	0	110.3	D227 V228 L231 K257 N258 T264	D227-L261 HydrophobicContact CB-CD1 3.91Å; D227-L261 HydrophobicContact CB-CD2 4.16Å; V228-L261 HydrophobicContact CB-CD1 4.47Å; V228-L261 HydrophobicContact CG2-CD1 3.87Å; L231-L261 HydrophobicContact CD2-CD1 4.16Å; K257-L261 PolarHBondContact O-N 3.12Å; N258-L261 WeakPolarHBondContact O-CB 3.3Å; N258-L261 PolarHBondContact O-N 3.28Å; N258-L261 VanDerWaalsContact O-N 3.08Å; L261-T264 PolarHBondContact O-N 2.99Å
262	N	81.3	Confident	92.7	Very high	127 Å²	127	86.9 Å²	86.9	68%	0.679	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	145.4	176.4	-67.6	-29.8	0	0	0	109.9	T264	N262-T264 PolarHBondContact O-N 3.42Å
263	D	82.6	Confident	92.5	Very high	82 Å²	82	87.3 Å²	87.3	44%	0.439	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	-17.7	179.7	-46.8	-34.1	0	0	0	116.8	K265 Q266 C267	D263-K265 VanDerWaalsContact C-N 3.32Å; D263-K265 PolarHBondContact O-N 3.08Å; D263-Q266 CarbonylContact O-C 3.59Å; D263-Q266 WeakPolarHBondContact O-CA 3.46Å; D263-Q266 WeakPolarHBondContact O-CB 3.3Å; D263-Q266 PolarHBondContact O-N 3.13Å; D263-C267 WeakPolarHBondContact O-CB 3.33Å; D263-C267 PolarHBondContact O-N 3.13Å; D263-C267 PolarHBondContact O-SG 2.96Å; D263-C267 VanDerWaalsContact O-SG 3.4Å
264	T	90.9	Very high	92	Very high	19 Å²	19	93.1 Å²	93.1	12%	0.117	46%	0.463	C	S	.	.	H	α-helix	trans	-53.3	-48	-179.9	-63.9	0	0	0	0	111.9	N258 L259 L261 N262 Q266 C267 I268	N258-T264 WeakPolarHBondContact O-CB 3.35Å; N258-T264 PolarHBondContact O-OG1 3.13Å; L259-T264 HydrophobicContact CD2-CG2 4.24Å; L261-T264 PolarHBondContact O-N 2.99Å; N262-T264 PolarHBondContact O-N 3.42Å; T264-Q266 VanDerWaalsContact C-N 3.34Å; T264-Q266 PolarHBondContact O-N 3.45Å; T264-C267 PolarHBondContact O-N 3.08Å; T264-I268 HydrophobicContact CG2-CD1 4.13Å; T264-I268 WeakPolarHBondContact O-CG1 3.48Å; T264-I268 PolarHBondContact O-N 3.26Å
265	K	88.9	Confident	91	Very high	139 Å²	139	99.9 Å²	99.9	60%	0.604	49%	0.49	S	S	*	.	H	α-helix	trans	-63	-39	176.5	-68.7	179.6	-176.6	169.9	0	112.5	D263 I268 Q269	D263-K265 VanDerWaalsContact C-N 3.32Å; D263-K265 PolarHBondContact O-N 3.08Å; K265-I268 PolarHBondContact O-N 3.45Å; K265-Q269 WeakPolarHBondContact O-CB 3.33Å; K265-Q269 PolarHBondContact O-N 3.44Å
266	Q	87.8	Confident	89.2	Confident	127 Å²	127	105.1 Å²	105.1	59%	0.593	51%	0.51	S	S	*	.	H	α-helix	trans	-69	-39.4	179.1	-62	-177.1	10.7	0	0	111.6	D263 T264 Q269 S270	D263-Q266 CarbonylContact O-C 3.59Å; D263-Q266 WeakPolarHBondContact O-CA 3.46Å; D263-Q266 WeakPolarHBondContact O-CB 3.3Å; D263-Q266 PolarHBondContact O-N 3.13Å; T264-Q266 VanDerWaalsContact C-N 3.34Å; T264-Q266 PolarHBondContact O-N 3.45Å; Q266-Q269 PolarHBondContact O-N 3.02Å; Q266-S270 VanDerWaalsContact O-CB 3.27Å; Q266-S270 WeakPolarHBondContact O-CB 3.4Å; Q266-S270 PolarHBondContact O-N 2.69Å; Q266-S270 PolarHBondContact O-OG 3.39Å
267	C	90.4	Very high	88.9	Confident	80 Å²	80	105.9 Å²	105.9	54%	0.541	51%	0.508	S	S	.	.	H	α-helix	trans	-61.5	-46.4	174.3	-73.1	0	0	0	0	111.3	D263 T264 S270 F271	D263-C267 WeakPolarHBondContact O-CB 3.33Å; D263-C267 PolarHBondContact O-N 3.13Å; D263-C267 PolarHBondContact O-SG 2.96Å; D263-C267 VanDerWaalsContact O-SG 3.4Å; T264-C267 PolarHBondContact O-N 3.08Å; C267-S270 PolarHBondContact O-N 3.25Å; C267-F271 WeakPolarHBondContact O-CB 3.45Å; C267-F271 PolarHBondContact O-N 3.03Å
268	I	92.5	Very high	88.4	Confident	84 Å²	84	104.7 Å²	104.7	43%	0.431	51%	0.506	S	S	.	.	H	α-helix	trans	-59.6	-49.5	175	-67.1	167.4	0	0	0	110.2	L259 T264 K265 S270 F271 L272	L259-I268 HydrophobicContact CD2-CD1 4.09Å; T264-I268 HydrophobicContact CG2-CD1 4.13Å; T264-I268 WeakPolarHBondContact O-CG1 3.48Å; T264-I268 PolarHBondContact O-N 3.26Å; K265-I268 PolarHBondContact O-N 3.45Å; I268-S270 VanDerWaalsContact C-N 3.34Å; I268-S270 PolarHBondContact O-N 2.93Å; I268-F271 PolarHBondContact O-N 3.29Å; I268-L272 HydrophobicContact CG2-CD1 4.1Å; I268-L272 HydrophobicContact CG2-CG 4.49Å; I268-L272 WeakPolarHBondContact O-CG 3.41Å; I268-L272 PolarHBondContact O-N 3.18Å
269	Q	92.1	Very high	88	Confident	100 Å²	100	108.5 Å²	108.5	47%	0.467	52%	0.523	S	S	.	.	H	α-helix	trans	-62.1	-41.4	-179.8	-170	61.9	45.6	0	0	112.3	K265 Q266 F271 L272 N273	K265-Q269 WeakPolarHBondContact O-CB 3.33Å; K265-Q269 PolarHBondContact O-N 3.44Å; Q266-Q269 PolarHBondContact O-N 3.02Å; Q269-F271 VanDerWaalsContact C-N 3.35Å; Q269-L272 PolarHBondContact O-N 3.32Å; Q269-N273 PolarHBondContact NE2-OD1 3.11Å; Q269-N273 VanDerWaalsContact NE2-OD1 3.11Å; Q269-N273 WeakPolarHBondContact O-CB 3.35Å; Q269-N273 PolarHBondContact O-N 3.42Å; Q269-N273 PolarHBondContact O-ND2 3.46Å
270	S	92.1	Very high	87.6	Confident	60 Å²	60	110.5 Å²	110.5	42%	0.42	53%	0.531	S	S	.	.	H	α-helix	trans	-62.9	-41.6	177.1	-62.5	0	0	0	0	111.6	Q266 C267 I268 N273 R274	Q266-S270 VanDerWaalsContact O-CB 3.27Å; Q266-S270 WeakPolarHBondContact O-CB 3.4Å; Q266-S270 PolarHBondContact O-N 2.69Å; Q266-S270 PolarHBondContact O-OG 3.39Å; C267-S270 PolarHBondContact O-N 3.25Å; I268-S270 VanDerWaalsContact C-N 3.34Å; I268-S270 PolarHBondContact O-N 2.93Å; S270-N273 PolarHBondContact O-N 3.46Å; S270-R274 WeakPolarHBondContact O-CG 3.49Å; S270-R274 PolarHBondContact O-N 3.06Å; S270-R274 VanDerWaalsContact O-N 3.11Å
271	F	92.2	Very high	87.2	Confident	120 Å²	120	109.4 Å²	109.4	53%	0.526	53%	0.527	S	S	.	.	H	α-helix	trans	-63.8	-43	175.1	-179.8	-100.6	0	0	0	112.3	C267 I268 Q269 N273 R274 K275	C267-F271 WeakPolarHBondContact O-CB 3.45Å; C267-F271 PolarHBondContact O-N 3.03Å; I268-F271 PolarHBondContact O-N 3.29Å; Q269-F271 VanDerWaalsContact C-N 3.35Å; F271-N273 VanDerWaalsContact C-N 3.33Å; F271-N273 PolarHBondContact O-N 3.06Å; F271-R274 PolarHBondContact O-N 3.08Å; F271-K275 HydrophobicContact CE1-CD 4.24Å; F271-K275 VanDerWaalsContact CE1-CE 3.48Å; F271-K275 HydrophobicContact CZ-CD 4.44Å
272	L	94.3	Very high	86.9	Confident	92 Å²	92	113.7 Å²	113.7	48%	0.482	55%	0.546	S	S	.	.	H	α-helix	trans	-63.4	-38.6	176.4	-69	173.9	0	0	0	112.2	I268 Q269 K275	I268-L272 HydrophobicContact CG2-CD1 4.1Å; I268-L272 HydrophobicContact CG2-CG 4.49Å; I268-L272 WeakPolarHBondContact O-CG 3.41Å; I268-L272 PolarHBondContact O-N 3.18Å; Q269-L272 PolarHBondContact O-N 3.32Å; L272-K275 PolarHBondContact O-N 3.49Å
273	N	93.5	Very high	87.3	Confident	78 Å²	78	112.8 Å²	112.8	42%	0.417	54%	0.537	S	S	.	.	H	α-helix	trans	-72.2	-33.2	-179.5	-70.3	-12.9	0	0	0	113	Q269 S270 F271 K275 K276	Q269-N273 PolarHBondContact NE2-OD1 3.11Å; Q269-N273 VanDerWaalsContact NE2-OD1 3.11Å; Q269-N273 WeakPolarHBondContact O-CB 3.35Å; Q269-N273 PolarHBondContact O-N 3.42Å; Q269-N273 PolarHBondContact O-ND2 3.46Å; S270-N273 PolarHBondContact O-N 3.46Å; F271-N273 VanDerWaalsContact C-N 3.33Å; F271-N273 PolarHBondContact O-N 3.06Å; N273-K275 PolarHBondContact O-N 3.09Å; N273-K276 PolarHBondContact O-N 3.29Å
274	R	87.7	Confident	87.7	Confident	216 Å²	216	115.2 Å²	115.2	82%	0.815	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-14.8	175.1	-73.9	177.7	-175.8	-177.4	2.3	113.9	S270 F271	S270-R274 WeakPolarHBondContact O-CG 3.49Å; S270-R274 PolarHBondContact O-N 3.06Å; S270-R274 VanDerWaalsContact O-N 3.11Å; F271-R274 PolarHBondContact O-N 3.08Å
275	K	76	Confident	87.4	Confident	153 Å²	153	123.2 Å²	123.2	67%	0.665	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	0	178.1	-68.9	-169.7	174.6	-172.6	0	113.6	F271 L272 N273	F271-K275 HydrophobicContact CE1-CD 4.24Å; F271-K275 VanDerWaalsContact CE1-CE 3.48Å; F271-K275 HydrophobicContact CZ-CD 4.44Å; L272-K275 PolarHBondContact O-N 3.49Å; N273-K275 PolarHBondContact O-N 3.09Å
276	K	61.3	Low	87.3	Confident	229 Å²	229	121.7 Å²	121.7	100%	0.996	58%	0.578	S	S	*	*			trans	-94.8	0	169.1	-67	-176.4	178.2	179.8	0	109.3	N273	N273-K276 PolarHBondContact O-N 3.29Å

Retrieved 276 of 276 residues in 109.8 ms (Link to these results)

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