A0A061IA59_CRIGR Loading...

Cyclic nucleotide-gated channel alpha-4

AlphaFold DB , UniProt , Accession A0A061IA59, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Cnga4, Length 575 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.6	Very low	34.3	Very low	250 Å²	250	161.9 Å²	161.9	100%	1.232	85%	0.854	S	S	*	*				0	106.5	0	-87.4	159.8	69.5	0	0	107.2
2	S	33.3	Very low	34.5	Very low	97 Å²	97	157.9 Å²	157.9	68%	0.678	85%	0.849	S	S	*	*			trans	-80.5	141.1	-175.9	166.1	0	0	0	0	110.7
3	Q	33.7	Very low	34.3	Very low	199 Å²	199	153.8 Å²	153.8	93%	0.93	84%	0.84	S	S	*	*			trans	-136	96.8	155.2	-82.2	-168.8	-6.2	0	0	108.6
4	D	36	Very low	34.7	Very low	147 Å²	147	151 Å²	151	79%	0.786	83%	0.833	S	S	*	*			trans	-79.7	131.1	167.4	-84.3	-46.2	0	0	0	111.1	K6	D4-K6 PolarHBondContact O-N 3.28Å
5	S	35.3	Very low	35.1	Very low	112 Å²	112	149.5 Å²	149.5	78%	0.783	83%	0.833	S	S	*	*			trans	-73.6	115.2	169.5	56.4	0	0	0	0	110.9
6	K	35	Very low	35	Very low	208 Å²	208	143.8 Å²	143.8	90%	0.904	82%	0.818	S	S	*	*			trans	-97.1	99.7	173.9	-129.6	174.7	-173.7	177	0	110.4	D4 K8	D4-K6 PolarHBondContact O-N 3.28Å; K6-K8 PolarHBondContact O-N 3.31Å
7	V	34.5	Very low	35.2	Very low	125 Å²	125	143.1 Å²	143.1	76%	0.758	82%	0.82	S	S	*	*			trans	-67.3	123	166.6	175	0	0	0	0	108.3
8	K	31.6	Very low	35.3	Very low	200 Å²	200	140.1 Å²	140.1	87%	0.87	81%	0.81	S	S	*	*			trans	-95.2	94.3	-179.2	-148.9	177.5	-171.2	-177.9	0	108.1	K6 T10	K6-K8 PolarHBondContact O-N 3.31Å; K8-T10 PolarHBondContact O-N 2.89Å
9	T	33	Very low	35.8	Very low	124 Å²	124	144.2 Å²	144.2	76%	0.761	82%	0.817	S	S	*	*			trans	-70.1	114	170.1	33.9	0	0	0	0	109.2	E11	T9-E11 PolarHBondContact O-N 3.09Å
10	T	32.9	Very low	36.1	Very low	135 Å²	135	142.6 Å²	142.6	83%	0.828	81%	0.811	S	S	*	*			trans	-73.2	104.4	167.9	41.5	0	0	0	0	108.8	K8 S12	K8-T10 PolarHBondContact O-N 2.89Å; T10-S12 PolarHBondContact O-N 3.44Å; T10-S12 VanDerWaalsContact O-N 3.14Å
11	E	32.8	Very low	36.5	Very low	184 Å²	184	147.6 Å²	147.6	86%	0.86	82%	0.816	S	S	*	*			trans	-65.2	105.7	166.2	-75.5	-179.3	156.3	0	0	109.1	T9 S13	T9-E11 PolarHBondContact O-N 3.09Å; E11-S13 PolarHBondContact O-N 3.03Å
12	S	36.2	Very low	36.9	Very low	114 Å²	114	146.2 Å²	146.2	80%	0.797	80%	0.804	S	S	*	*			trans	-72.2	107.5	163.8	55.8	0	0	0	0	108.2	T10	T10-S12 PolarHBondContact O-N 3.44Å; T10-S12 VanDerWaalsContact O-N 3.14Å
13	S	32.4	Very low	38.1	Very low	105 Å²	105	143.6 Å²	143.6	73%	0.734	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-55.3	138.9	171.3	-42.2	0	0	0	0	110	E11	E11-S13 PolarHBondContact O-N 3.03Å
14	P	39	Very low	39.6	Very low	114 Å²	114	140.3 Å²	140.3	74%	0.74	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-63.3	140.7	177.4	26.5	-31.9	0	0	0	109.1	G16	P14-G16 PolarHBondContact O-N 3.4Å; P14-G16 VanDerWaalsContact O-N 3.15Å
15	P	40.8	Very low	41.8	Very low	128 Å²	128	138.2 Å²	138.2	83%	0.831	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-61.4	123.6	176.3	25.2	-30.4	0	0	0	108.3
16	G	34.5	Very low	44.3	Very low	58 Å²	58	134.2 Å²	134.2	60%	0.598	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-55	154	175.7	0	0	0	0	0	111.2	P14 S18	P14-G16 PolarHBondContact O-N 3.4Å; P14-G16 VanDerWaalsContact O-N 3.15Å; G16-S18 PolarHBondContact O-N 3.08Å
17	P	38.2	Very low	47	Very low	132 Å²	132	126.6 Å²	126.6	86%	0.857	71%	0.714	S	S	*	*			trans	-61.2	106.7	-172.2	24.6	-32.8	0	0	0	109.8	K19	P17-K19 PolarHBondContact O-N 2.93Å
18	S	37.1	Very low	49.6	Very low	90 Å²	90	124 Å²	124	63%	0.629	70%	0.696	S	S	*	*			trans	-57.2	124.1	168	63.1	0	0	0	0	107.1	G16 T20	G16-S18 PolarHBondContact O-N 3.08Å; S18-T20 PolarHBondContact O-N 3.34Å
19	K	44.3	Very low	52.3	Low	217 Å²	217	115.4 Å²	115.4	94%	0.943	66%	0.661	S	S	*	*			trans	-62.2	82.5	174.4	-71.7	177.9	178.1	175.4	0	109.2	P17	P17-K19 PolarHBondContact O-N 2.93Å
20	T	42.8	Very low	54.9	Low	113 Å²	113	112.4 Å²	112.4	69%	0.693	65%	0.645	S	S	*	*			trans	-75.4	128.4	172	39.1	0	0	0	0	108.1	S18 K22	S18-T20 PolarHBondContact O-N 3.34Å; T20-K22 PolarHBondContact O-N 2.95Å
21	R	43.5	Very low	57.6	Low	247 Å²	247	107 Å²	107	93%	0.932	62%	0.617	S	S	*	*			trans	-36.7	125.4	169.1	-107.2	173.1	168	179.7	-3.6	109.5	G23	R21-G23 PolarHBondContact O-N 3.42Å
22	K	47.7	Very low	60.4	Low	221 Å²	221	102.8 Å²	102.8	96%	0.961	60%	0.6	S	S	*	*			trans	-61.6	79.3	172.6	-68.2	-177.2	179.5	-177.8	0	109.8	T20	T20-K22 PolarHBondContact O-N 2.95Å
23	G	58	Low	63.1	Low	43 Å²	43	106.6 Å²	106.6	44%	0.443	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-73.4	162	164.6	0	0	0	0	0	109.6	R21	R21-G23 PolarHBondContact O-N 3.42Å
24	L	66.1	Low	65.9	Low	129 Å²	129	102.2 Å²	102.2	68%	0.675	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-50.9	138	173.4	-81.2	93.9	0	0	0	110.2	K102	L24-K102 PolarHBondContact O-NZ 2.93Å
25	P	82.5	Confident	68.5	Low	103 Å²	103	98.6 Å²	98.6	67%	0.669	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-61.5	148.2	179.2	26.7	-33.6	0	0	0	110.3
26	V	88.1	Confident	71.1	Confident	29 Å²	29	100.5 Å²	100.5	18%	0.176	53%	0.528	C	S	.	.	P	Polyproline II helix	trans	-74.9	133.4	171.6	174.8	0	0	0	0	108.2	H89 V100 K102 I105	V26-H89 CarbonylContact C-O 3.56Å; V26-H89 VanDerWaalsContact CA-O 3.31Å; V26-H89 WeakPolarHBondContact CA-O 3.37Å; V26-H89 WeakPolarHBondContact CG1-O 3.41Å; V26-V100 HydrophobicContact CB-CG1 3.91Å; V26-V100 HydrophobicContact CG2-CG1 3.69Å; V26-V100 WeakPolarHBondContact CG2-O 3.41Å; V26-K102 HydrophobicContact CG2-CG 4.46Å; V26-I105 HydrophobicContact CG1-CD1 3.8Å; V26-I105 HydrophobicContact CG2-CD1 4.12Å
27	L	90.5	Very high	74	Confident	47 Å²	47	100.4 Å²	100.4	25%	0.246	51%	0.51	C	S	.	.	B	Isolated β-bridge	trans	-83.4	130.5	178.3	-66.2	168.8	0	0	0	109.5	V86 H89 G91	L27-V86 HydrophobicContact CD1-CG1 3.77Å; L27-H89 PolarHBondContact N-O 3.33Å; L27-G91 PolarHBondContact O-N 3.24Å
28	D	90.3	Very high	76.7	Confident	71 Å²	71	94.2 Å²	94.2	38%	0.38	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-72.8	122.9	170.2	-178.6	-5.4	0	0	0	109.3	S30 G31 L98	D28-S30 PolarHBondContact O-N 2.8Å; D28-S30 VanDerWaalsContact O-N 3.13Å; D28-S30 WeakPolarHBondContact OD1-CB 3.14Å; D28-S30 PolarHBondContact OD1-N 3.08Å; D28-G31 PolarHBondContact O-N 2.77Å; D28-L98 HydrophobicContact CB-CD2 4.16Å
29	P	88	Confident	79.5	Confident	20 Å²	20	91.6 Å²	91.6	13%	0.13	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-16.1	175.6	27.4	-37.5	0	0	0	114	Y34 T90 G91 L98 R156	P29-Y34 WeakPolarHBondContact O-CD1 3.42Å; P29-T90 HydrophobicContact CB-CG2 3.99Å; P29-G91 WeakPolarHBondContact CD-O 3.2Å; P29-G91 WeakPolarHBondContact CG-O 3.49Å; P29-L98 HydrophobicContact CG-CD1 4.41Å; P29-R156 PolarHBondContact O-NH1 3.38Å; P29-R156 PolarHBondContact O-NH2 2.99Å
30	S	86.9	Confident	82	Confident	61 Å²	61	84.1 Å²	84.1	43%	0.427	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-10.9	174.8	-61.4	0	0	0	0	113.2	D28 R160	D28-S30 PolarHBondContact O-N 2.8Å; D28-S30 VanDerWaalsContact O-N 3.13Å; D28-S30 WeakPolarHBondContact OD1-CB 3.14Å; D28-S30 PolarHBondContact OD1-N 3.08Å; S30-R160 PolarHBondContact O-NH2 3.05Å
31	G	89	Confident	84.5	Confident	22 Å²	22	78.9 Å²	78.9	23%	0.227	39%	0.388	C	S	.	.	S	Bend	trans	-77.7	162.4	-175.9	0	0	0	0	0	114.4	D28 Y33 Y34 Y35	D28-G31 PolarHBondContact O-N 2.77Å; G31-Y33 PolarHBondContact O-N 3.24Å; G31-Y34 PolarHBondContact O-N 2.99Å; G31-Y35 PolarHBondContact O-N 2.88Å
32	D	92.3	Very high	87	Confident	95 Å²	95	68.3 Å²	68.3	51%	0.508	35%	0.351	S	S	.	.	H	α-helix	trans	-68.1	-34.3	-176.3	-65.1	-22.6	0	0	0	113.4	Y34 Y35 W36 R160	D32-Y34 VanDerWaalsContact C-N 3.34Å; D32-Y34 PolarHBondContact O-N 3.4Å; D32-Y35 WeakPolarHBondContact O-CB 3.49Å; D32-Y35 PolarHBondContact O-N 3.27Å; D32-W36 PolarHBondContact O-N 2.93Å; D32-R160 IonicContact OD1-CZ 3.3Å; D32-R160 VanDerWaalsContact OD1-CZ 3.31Å; D32-R160 IonicContact OD1-NH1 3.2Å; D32-R160 PolarHBondContact OD1-NH1 2.81Å; D32-R160 IonicContact OD1-NH2 2.78Å; D32-R160 PolarHBondContact OD1-NH2 3.41Å
33	Y	92.2	Very high	89.3	Confident	193 Å²	193	65 Å²	65	76%	0.757	34%	0.337	S	S	*	.	H	α-helix	trans	-60.7	-43.4	177.8	-71.7	-76.4	0	0	0	112.3	G31 Y35 W36 W37	G31-Y33 PolarHBondContact O-N 3.24Å; Y33-Y35 VanDerWaalsContact C-N 3.33Å; Y33-W36 PolarHBondContact O-N 2.88Å; Y33-W37 WeakPolarHBondContact O-CB 3.47Å; Y33-W37 PolarHBondContact O-N 2.85Å
34	Y	92.6	Very high	91.2	Very high	13 Å²	13	63.1 Å²	63.1	5%	0.051	32%	0.318	C	S	.	.	H	α-helix	trans	-65.9	-39.5	177.3	-175	-107.7	0	0	0	111.1	P29 G31 D32 W37 L38 T90 R149 E152	P29-Y34 WeakPolarHBondContact O-CD1 3.42Å; G31-Y34 PolarHBondContact O-N 2.99Å; D32-Y34 VanDerWaalsContact C-N 3.34Å; D32-Y34 PolarHBondContact O-N 3.4Å; Y34-W37 PolarHBondContact O-N 2.85Å; Y34-L38 HydrophobicContact CD1-CD1 3.72Å; Y34-L38 HydrophobicContact CD1-CG 4.33Å; Y34-L38 HydrophobicContact CE1-CD1 3.39Å; Y34-L38 HydrophobicContact CE1-CG 4Å; Y34-L38 WeakPolarHBondContact O-CB 3.49Å; Y34-L38 WeakPolarHBondContact O-CG 3.5Å; Y34-L38 PolarHBondContact O-N 2.88Å; Y34-T90 HydrophobicContact CD2-CG2 3.95Å; Y34-T90 HydrophobicContact CE2-CG2 3.72Å; Y34-R149 PolarHBondContact OH-NH1 3.46Å; Y34-E152 PolarHBondContact OH-OE1 3.3Å
35	Y	94.2	Very high	92.6	Very high	39 Å²	39	57.1 Å²	57.1	15%	0.153	29%	0.286	C	S	.	.	H	α-helix	trans	-60.8	-47.7	174.1	171.5	-103.3	0	0	0	112.8	G31 D32 Y33 L38 N39 R156 T157	G31-Y35 PolarHBondContact O-N 2.88Å; D32-Y35 WeakPolarHBondContact O-CB 3.49Å; D32-Y35 PolarHBondContact O-N 3.27Å; Y33-Y35 VanDerWaalsContact C-N 3.33Å; Y35-L38 WeakPolarHBondContact O-CB 3.41Å; Y35-L38 PolarHBondContact O-N 2.83Å; Y35-N39 WeakPolarHBondContact CE1-ND2 3.48Å; Y35-N39 WeakPolarHBondContact CE2-ND2 3.48Å; Y35-N39 PolarHBondContact O-N 3.28Å; Y35-N39 VanDerWaalsContact O-N 3.09Å; Y35-N39 PolarHBondContact O-ND2 2.87Å; Y35-N39 PolarHBondContact OH-ND2 3.23Å; Y35-R156 HydrophobicContact CD2-CB 4.18Å; Y35-R156 HydrophobicContact CE2-CB 4.47Å; Y35-T157 WeakPolarHBondContact CE2-OG1 3.29Å; Y35-T157 PolarHBondContact OH-OG1 3.35Å
36	W	94.5	Very high	93.3	Very high	168 Å²	168	53.5 Å²	53.5	64%	0.636	26%	0.261	S	S	*	.	H	α-helix	trans	-64.3	-41.7	177.4	-74.4	114.4	0	0	0	111.7	D32 Y33 L38 N39 T40	D32-W36 PolarHBondContact O-N 2.93Å; Y33-W36 PolarHBondContact O-N 2.88Å; W36-L38 PolarHBondContact O-N 2.85Å; W36-N39 PolarHBondContact O-N 3.41Å; W36-T40 PolarHBondContact O-N 3.21Å; W36-T40 PolarHBondContact O-OG1 2.72Å; W36-T40 VanDerWaalsContact O-OG1 3.08Å
37	W	95.7	Very high	93.7	Very high	56 Å²	56	53.9 Å²	53.9	21%	0.212	26%	0.259	C	S	.	.	H	α-helix	trans	-59.3	-45.9	174.6	179.9	-99.3	0	0	0	112.3	Y33 Y34 N39 T40 M41 L82 D83 V86	Y33-W37 WeakPolarHBondContact O-CB 3.47Å; Y33-W37 PolarHBondContact O-N 2.85Å; Y34-W37 PolarHBondContact O-N 2.85Å; W37-N39 VanDerWaalsContact C-N 3.31Å; W37-N39 PolarHBondContact O-N 2.76Å; W37-T40 WeakPolarHBondContact O-CB 3.27Å; W37-T40 PolarHBondContact O-N 2.94Å; W37-T40 VanDerWaalsContact O-N 3.11Å; W37-M41 HydrophobicContact CZ2-CG 4.32Å; W37-M41 HydrophobicContact CZ2-SD 3.84Å; W37-M41 WeakPolarHBondContact O-CG 3.39Å; W37-M41 PolarHBondContact O-N 3.47Å; W37-L82 HydrophobicContact CH2-CB 3.74Å; W37-L82 HydrophobicContact CH2-CD1 4.42Å; W37-L82 HydrophobicContact CZ2-CB 4.01Å; W37-D83 HydrophobicContact CZ2-CB 4.1Å; W37-D83 PolarHBondContact NE1-OD1 3.27Å; W37-V86 HydrophobicContact CD2-CG2 4.03Å; W37-V86 HydrophobicContact CG-CG1 4.2Å; W37-V86 HydrophobicContact CG-CG2 4.46Å; W37-V86 HydrophobicContact CH2-CG2 4.48Å; W37-V86 HydrophobicContact CZ2-CG2 3.93Å
38	L	94.7	Very high	93.9	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-55.1	-45.3	174.7	-88.3	172.4	0	0	0	112.2	Y34 Y35 W36 M41 V42 R149 E152 A153 R156	Y34-L38 HydrophobicContact CD1-CD1 3.72Å; Y34-L38 HydrophobicContact CD1-CG 4.33Å; Y34-L38 HydrophobicContact CE1-CD1 3.39Å; Y34-L38 HydrophobicContact CE1-CG 4Å; Y34-L38 WeakPolarHBondContact O-CB 3.49Å; Y34-L38 WeakPolarHBondContact O-CG 3.5Å; Y34-L38 PolarHBondContact O-N 2.88Å; Y35-L38 WeakPolarHBondContact O-CB 3.41Å; Y35-L38 PolarHBondContact O-N 2.83Å; W36-L38 PolarHBondContact O-N 2.85Å; L38-M41 WeakPolarHBondContact O-CB 3.49Å; L38-M41 PolarHBondContact O-N 2.95Å; L38-M41 VanDerWaalsContact O-N 3.15Å; L38-V42 PolarHBondContact O-N 3.46Å; L38-R149 HydrophobicContact CD2-CG 4.43Å; L38-R149 VanDerWaalsContact CD2-NH1 3.26Å; L38-E152 HydrophobicContact CD1-CG 4.2Å; L38-E152 HydrophobicContact CD2-CB 4.23Å; L38-E152 HydrophobicContact CD2-CG 3.95Å; L38-A153 HydrophobicContact CB-CB 4.16Å; L38-A153 HydrophobicContact CD2-CB 4.44Å; L38-R156 HydrophobicContact CD1-CG 4.02Å
39	N	95	Very high	94.1	Very high	36 Å²	36	49.3 Å²	49.3	19%	0.193	24%	0.235	C	C	.	.	H	α-helix	trans	-67	-35.7	176.9	-75.1	-63.4	0	0	0	112.4	Y35 W36 W37 M41 V42 T157	Y35-N39 WeakPolarHBondContact CE1-ND2 3.48Å; Y35-N39 WeakPolarHBondContact CE2-ND2 3.48Å; Y35-N39 PolarHBondContact O-N 3.28Å; Y35-N39 VanDerWaalsContact O-N 3.09Å; Y35-N39 PolarHBondContact O-ND2 2.87Å; Y35-N39 PolarHBondContact OH-ND2 3.23Å; W36-N39 PolarHBondContact O-N 3.41Å; W37-N39 VanDerWaalsContact C-N 3.31Å; W37-N39 PolarHBondContact O-N 2.76Å; N39-M41 VanDerWaalsContact C-N 3.26Å; N39-M41 PolarHBondContact O-N 3.37Å; N39-V42 VanDerWaalsContact O-CB 3.32Å; N39-V42 WeakPolarHBondContact O-CB 3.34Å; N39-V42 PolarHBondContact O-N 3.26Å; N39-T157 PolarHBondContact OD1-OG1 2.86Å
40	T	96.5	Very high	94.5	Very high	60 Å²	60	50 Å²	50	37%	0.368	24%	0.237	S	C	.	.	H	α-helix	trans	-62.6	-34.5	171.4	-56.3	0	0	0	0	111.7	W36 W37 V42 F43 P44 M79	W36-T40 PolarHBondContact O-N 3.21Å; W36-T40 PolarHBondContact O-OG1 2.72Å; W36-T40 VanDerWaalsContact O-OG1 3.08Å; W37-T40 WeakPolarHBondContact O-CB 3.27Å; W37-T40 PolarHBondContact O-N 2.94Å; W37-T40 VanDerWaalsContact O-N 3.11Å; T40-V42 PolarHBondContact O-N 3.38Å; T40-F43 WeakPolarHBondContact O-CD2 3.42Å; T40-F43 PolarHBondContact O-N 3.03Å; T40-P44 WeakPolarHBondContact O-CD 3.42Å; T40-M79 HydrophobicContact CG2-CE 3.64Å; T40-M79 WeakPolarHBondContact O-CE 3.33Å
41	M	96.4	Very high	94.9	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-71.9	-13.4	177.4	-69.4	-60.2	-63.4	0	0	114.3	W37 L38 N39 F43 P44 V45 M79 Y80 D83 R149	W37-M41 HydrophobicContact CZ2-CG 4.32Å; W37-M41 HydrophobicContact CZ2-SD 3.84Å; W37-M41 WeakPolarHBondContact O-CG 3.39Å; W37-M41 PolarHBondContact O-N 3.47Å; L38-M41 WeakPolarHBondContact O-CB 3.49Å; L38-M41 PolarHBondContact O-N 2.95Å; L38-M41 VanDerWaalsContact O-N 3.15Å; N39-M41 VanDerWaalsContact C-N 3.26Å; N39-M41 PolarHBondContact O-N 3.37Å; M41-F43 VanDerWaalsContact C-N 3.3Å; M41-F43 PolarHBondContact O-N 3.05Å; M41-P44 HydrophobicContact CE-CG 4.32Å; M41-P44 WeakPolarHBondContact O-CD 3.38Å; M41-P44 WeakPolarHBondContact O-CG 3.47Å; M41-P44 HydrophobicContact SD-CG 4.38Å; M41-V45 VanDerWaalsContact O-CG2 3.29Å; M41-V45 WeakPolarHBondContact O-CG2 3.45Å; M41-M79 HydrophobicContact SD-CB 4.29Å; M41-M79 HydrophobicContact SD-CE 4.08Å; M41-Y80 HydrophobicContact CE-CD1 3.61Å; M41-Y80 HydrophobicContact CE-CE1 4.07Å; M41-D83 HydrophobicContact CE-CB 3.38Å; M41-D83 HydrophobicContact CG-CB 4.43Å; M41-D83 HydrophobicContact SD-CB 3.8Å; M41-R149 HydrophobicContact CB-CG 4Å
42	V	96.6	Very high	95.2	Very high	25 Å²	25	48.1 Å²	48.1	15%	0.152	22%	0.217	C	C	.	.	H	α-helix	trans	-62.2	-39.4	172.9	173.3	0	0	0	0	111	L38 N39 T40 V45 M46 L150 A153 F154	L38-V42 PolarHBondContact O-N 3.46Å; N39-V42 VanDerWaalsContact O-CB 3.32Å; N39-V42 WeakPolarHBondContact O-CB 3.34Å; N39-V42 PolarHBondContact O-N 3.26Å; T40-V42 PolarHBondContact O-N 3.38Å; V42-V45 PolarHBondContact O-N 3.48Å; V42-M46 HydrophobicContact CG1-CG 3.79Å; V42-M46 WeakPolarHBondContact O-CB 3.42Å; V42-M46 VanDerWaalsContact O-CG 3.28Å; V42-M46 WeakPolarHBondContact O-CG 3.32Å; V42-M46 PolarHBondContact O-N 2.93Å; V42-L150 HydrophobicContact CB-CD1 4.25Å; V42-L150 HydrophobicContact CG1-CD1 3.66Å; V42-L150 HydrophobicContact CG2-CD1 4.06Å; V42-A153 HydrophobicContact CG2-CB 3.63Å; V42-F154 HydrophobicContact CG1-CE1 4.4Å; V42-F154 HydrophobicContact CG2-CE1 4.48Å
43	F	96.1	Very high	95.4	Very high	151 Å²	151	44.3 Å²	44.3	66%	0.662	20%	0.197	S	C	*	.	H	α-helix	trans	-60.3	-54.7	-176.4	-63	-75.4	0	0	0	114.2	T40 M41 V45 M46 Y47	T40-F43 WeakPolarHBondContact O-CD2 3.42Å; T40-F43 PolarHBondContact O-N 3.03Å; M41-F43 VanDerWaalsContact C-N 3.3Å; M41-F43 PolarHBondContact O-N 3.05Å; F43-V45 VanDerWaalsContact C-N 3.29Å; F43-V45 PolarHBondContact O-N 2.9Å; F43-M46 PolarHBondContact O-N 3.3Å; F43-Y47 VanDerWaalsContact O-CB 3.31Å; F43-Y47 WeakPolarHBondContact O-CB 3.39Å; F43-Y47 PolarHBondContact O-N 2.67Å
44	P	96.8	Very high	95.5	Very high	5 Å²	5	35.7 Å²	35.7	3%	0.032	17%	0.165	C	C	.	.	H	α-helix	trans	-65.6	-32	178.9	27.2	-37.3	0	0	0	112.6	T40 M41 N48 M79 Y80	T40-P44 WeakPolarHBondContact O-CD 3.42Å; M41-P44 HydrophobicContact CE-CG 4.32Å; M41-P44 WeakPolarHBondContact O-CD 3.38Å; M41-P44 WeakPolarHBondContact O-CG 3.47Å; M41-P44 HydrophobicContact SD-CG 4.38Å; P44-N48 PolarHBondContact O-N 2.66Å; P44-N48 PolarHBondContact O-ND2 3.4Å; P44-M79 HydrophobicContact CB-CB 4.37Å; P44-M79 HydrophobicContact CB-SD 4.12Å; P44-M79 HydrophobicContact CG-CB 4.11Å; P44-M79 HydrophobicContact CG-CE 3.66Å; P44-M79 HydrophobicContact CG-SD 3.83Å; P44-Y80 HydrophobicContact CB-CD1 4.4Å; P44-Y80 HydrophobicContact CB-CE1 3.87Å; P44-Y80 HydrophobicContact CG-CD1 4.42Å; P44-Y80 HydrophobicContact CG-CE1 3.99Å
45	V	96.6	Very high	95.7	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.018	16%	0.163	C	C	.	.	H	α-helix	trans	-68.5	-47.9	177.1	179.2	0	0	0	0	110.8	M41 V42 F43 Y47 N48 L49 Y80 R146 L150	M41-V45 VanDerWaalsContact O-CG2 3.29Å; M41-V45 WeakPolarHBondContact O-CG2 3.45Å; V42-V45 PolarHBondContact O-N 3.48Å; F43-V45 VanDerWaalsContact C-N 3.29Å; F43-V45 PolarHBondContact O-N 2.9Å; V45-Y47 PolarHBondContact O-N 3.35Å; V45-N48 PolarHBondContact O-N 3.22Å; V45-L49 VanDerWaalsContact O-CB 3.3Å; V45-L49 WeakPolarHBondContact O-CB 3.26Å; V45-L49 PolarHBondContact O-N 2.89Å; V45-Y80 WeakPolarHBondContact CA-OH 3.27Å; V45-Y80 HydrophobicContact CG2-CE1 3.87Å; V45-R146 HydrophobicContact CG2-CB 4.11Å; V45-L150 HydrophobicContact CG1-CB 4.05Å
46	M	95.9	Very high	95.7	Very high	27 Å²	27	35 Å²	35	13%	0.133	17%	0.169	C	C	.	.	H	α-helix	trans	-65.1	-38.5	177	-71.9	-57.7	-54.7	0	0	112.4	V42 F43 L49 I50 L150 L174 V178	V42-M46 HydrophobicContact CG1-CG 3.79Å; V42-M46 WeakPolarHBondContact O-CB 3.42Å; V42-M46 VanDerWaalsContact O-CG 3.28Å; V42-M46 WeakPolarHBondContact O-CG 3.32Å; V42-M46 PolarHBondContact O-N 2.93Å; F43-M46 PolarHBondContact O-N 3.3Å; M46-L49 PolarHBondContact O-N 3.47Å; M46-L49 HydrophobicContact SD-CD2 4.21Å; M46-I50 HydrophobicContact CE-CD1 3.55Å; M46-I50 HydrophobicContact CE-CG1 4.18Å; M46-I50 WeakPolarHBondContact O-CB 3.49Å; M46-I50 WeakPolarHBondContact O-CG1 3.33Å; M46-I50 PolarHBondContact O-N 2.89Å; M46-L150 HydrophobicContact CG-CD1 4.15Å; M46-L150 HydrophobicContact SD-CD1 4.01Å; M46-L150 HydrophobicContact SD-CD2 3.73Å; M46-L174 HydrophobicContact CE-CD1 3.84Å; M46-L174 HydrophobicContact CE-CD2 4.18Å; M46-L174 HydrophobicContact CE-CG 4.26Å; M46-L174 HydrophobicContact SD-CD2 4.29Å; M46-V178 HydrophobicContact CE-CG2 4.02Å
47	Y	96.4	Very high	95.7	Very high	36 Å²	36	27.7 Å²	27.7	14%	0.141	14%	0.143	C	C	.	.	H	α-helix	trans	-55.3	-54.1	172.4	167.6	-99.7	0	0	0	110.7	F43 V45 L49 I50 I51 R55 W69 L72 D73	F43-Y47 VanDerWaalsContact O-CB 3.31Å; F43-Y47 WeakPolarHBondContact O-CB 3.39Å; F43-Y47 PolarHBondContact O-N 2.67Å; V45-Y47 PolarHBondContact O-N 3.35Å; Y47-L49 PolarHBondContact O-N 3.09Å; Y47-I50 PolarHBondContact O-N 2.84Å; Y47-I51 HydrophobicContact CD2-CB 3.95Å; Y47-I51 HydrophobicContact CD2-CG1 3.74Å; Y47-I51 HydrophobicContact CD2-CG2 4.34Å; Y47-I51 HydrophobicContact CE2-CB 3.8Å; Y47-I51 HydrophobicContact CE2-CG1 3.93Å; Y47-I51 HydrophobicContact CE2-CG2 3.69Å; Y47-I51 VanDerWaalsContact O-CB 3.22Å; Y47-I51 WeakPolarHBondContact O-CB 3.49Å; Y47-I51 PolarHBondContact O-N 3.21Å; Y47-R55 PolarHBondContact OH-NH1 3.12Å; Y47-W69 HydrophobicContact CE2-CZ3 4.49Å; Y47-L72 HydrophobicContact CE1-CB 4.37Å; Y47-L72 HydrophobicContact CE2-CB 3.9Å; Y47-L72 HydrophobicContact CE2-CD1 4.03Å; Y47-L72 WeakPolarHBondContact OH-CB 3.38Å; Y47-D73 PolarHBondContact OH-OD1 2.89Å; Y47-D73 VanDerWaalsContact OH-OD1 3.13Å
48	N	95.4	Very high	95.7	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.134	C	C	.	.	I	π-helix	trans	-63.1	-44.4	-179.6	-78.2	-73.1	0	0	0	111.1	P44 V45 I50 V52 S76 Y80 R143 F144	P44-N48 PolarHBondContact O-N 2.66Å; P44-N48 PolarHBondContact O-ND2 3.4Å; V45-N48 PolarHBondContact O-N 3.22Å; N48-I50 VanDerWaalsContact C-N 3.32Å; N48-I50 PolarHBondContact O-N 2.93Å; N48-V52 HydrophobicContact CB-CG2 4.38Å; N48-V52 VanDerWaalsContact O-CB 3.28Å; N48-V52 WeakPolarHBondContact O-CB 3.47Å; N48-V52 WeakPolarHBondContact O-CG2 3.39Å; N48-V52 PolarHBondContact O-N 3.4Å; N48-S76 PolarHBondContact ND2-OG 2.91Å; N48-S76 VanDerWaalsContact ND2-OG 3.17Å; N48-Y80 PolarHBondContact ND2-OH 3.33Å; N48-R143 HydrophobicContact CB-CB 4.19Å; N48-F144 VanDerWaalsContact O-CE1 3.26Å; N48-F144 WeakPolarHBondContact O-CE1 3.49Å
49	L	95.3	Very high	95.5	Very high	22 Å²	22	26 Å²	26	12%	0.115	14%	0.139	C	C	.	.	I	π-helix	trans	-61.4	-35.2	-177.6	-170.3	70.9	0	0	0	113.7	V45 M46 Y47 V147 V178 W182	V45-L49 VanDerWaalsContact O-CB 3.3Å; V45-L49 WeakPolarHBondContact O-CB 3.26Å; V45-L49 PolarHBondContact O-N 2.89Å; M46-L49 PolarHBondContact O-N 3.47Å; M46-L49 HydrophobicContact SD-CD2 4.21Å; Y47-L49 PolarHBondContact O-N 3.09Å; L49-V147 HydrophobicContact CD1-CG2 4.13Å; L49-V178 HydrophobicContact CD2-CG1 3.9Å; L49-V178 HydrophobicContact CD2-CG2 4.27Å; L49-V178 HydrophobicContact CG-CG1 4.11Å; L49-W182 HydrophobicContact CD1-CH2 4.45Å; L49-W182 HydrophobicContact CD1-CZ2 3.64Å; L49-W182 HydrophobicContact CG-CZ2 4.35Å; L49-W182 PolarHBondContact O-NE1 3.5Å
50	I	95.8	Very high	95.3	Very high	33 Å²	33	27.9 Å²	27.9	17%	0.169	15%	0.15	C	C	.	.	I	π-helix	trans	-95.6	-56.3	-178	-63.4	174.1	0	0	0	110.3	M46 Y47 N48 V52 C54 F177 V178 H181	M46-I50 HydrophobicContact CE-CD1 3.55Å; M46-I50 HydrophobicContact CE-CG1 4.18Å; M46-I50 WeakPolarHBondContact O-CB 3.49Å; M46-I50 WeakPolarHBondContact O-CG1 3.33Å; M46-I50 PolarHBondContact O-N 2.89Å; Y47-I50 PolarHBondContact O-N 2.84Å; N48-I50 VanDerWaalsContact C-N 3.32Å; N48-I50 PolarHBondContact O-N 2.93Å; I50-V52 PolarHBondContact O-N 2.84Å; I50-C54 WeakPolarHBondContact O-CB 3.31Å; I50-C54 PolarHBondContact O-N 3.42Å; I50-C54 VanDerWaalsContact O-N 3.16Å; I50-F177 HydrophobicContact CD1-CE1 4.24Å; I50-V178 HydrophobicContact CG1-CG2 4.41Å; I50-H181 WeakPolarHBondContact CG2-NE2 3.48Å; I50-H181 PolarHBondContact O-NE2 3.11Å
51	I	95.6	Very high	95.2	Very high	45 Å²	45	26.4 Å²	26.4	23%	0.231	14%	0.139	C	C	.	.	I	π-helix	trans	-75.5	-33.5	-164.5	-58.8	-61.6	0	0	0	112.4	Y47 C54 R55 W69	Y47-I51 HydrophobicContact CD2-CB 3.95Å; Y47-I51 HydrophobicContact CD2-CG1 3.74Å; Y47-I51 HydrophobicContact CD2-CG2 4.34Å; Y47-I51 HydrophobicContact CE2-CB 3.8Å; Y47-I51 HydrophobicContact CE2-CG1 3.93Å; Y47-I51 HydrophobicContact CE2-CG2 3.69Å; Y47-I51 VanDerWaalsContact O-CB 3.22Å; Y47-I51 WeakPolarHBondContact O-CB 3.49Å; Y47-I51 PolarHBondContact O-N 3.21Å; I51-C54 PolarHBondContact O-N 3.32Å; I51-R55 VanDerWaalsContact CG2-CD 3.45Å; I51-R55 HydrophobicContact CG2-CG 4.06Å; I51-R55 WeakPolarHBondContact O-CB 3.43Å; I51-R55 WeakPolarHBondContact O-CD 3.48Å; I51-R55 WeakPolarHBondContact O-CG 3.42Å; I51-R55 PolarHBondContact O-N 3.49Å; I51-W69 HydrophobicContact CG2-CE3 4.16Å; I51-W69 HydrophobicContact CG2-CH2 4.22Å; I51-W69 HydrophobicContact CG2-CZ3 3.79Å
52	V	94.6	Very high	95	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.139	C	C	.	.	I	π-helix	trans	-66.1	-43.3	179.6	175.4	0	0	0	0	111.2	N48 I50 R55 A56 R140 L141 F144	N48-V52 HydrophobicContact CB-CG2 4.38Å; N48-V52 VanDerWaalsContact O-CB 3.28Å; N48-V52 WeakPolarHBondContact O-CB 3.47Å; N48-V52 WeakPolarHBondContact O-CG2 3.39Å; N48-V52 PolarHBondContact O-N 3.4Å; I50-V52 PolarHBondContact O-N 2.84Å; V52-R55 PolarHBondContact O-N 2.99Å; V52-A56 WeakPolarHBondContact O-CB 3.44Å; V52-A56 PolarHBondContact O-N 3.29Å; V52-R140 HydrophobicContact CG1-CB 4.18Å; V52-R140 HydrophobicContact CG2-CB 4.49Å; V52-L141 HydrophobicContact CG1-CD2 4.38Å; V52-F144 HydrophobicContact CB-CE1 4.24Å; V52-F144 HydrophobicContact CB-CZ 4.47Å; V52-F144 HydrophobicContact CG1-CE1 4.49Å
53	V	95.9	Very high	94.8	Very high	14 Å²	14	29.6 Å²	29.6	9%	0.085	15%	0.152	C	C	.	.	H	α-helix	trans	-64.3	-46.2	176	-176.9	0	0	0	0	110.4	R55 A56 C57 F144 W182 C185	V53-R55 PolarHBondContact O-N 2.91Å; V53-A56 WeakPolarHBondContact O-CB 3.36Å; V53-A56 PolarHBondContact O-N 3.35Å; V53-A56 VanDerWaalsContact O-N 3.17Å; V53-C57 PolarHBondContact O-N 2.94Å; V53-C57 PolarHBondContact O-SG 2.96Å; V53-F144 HydrophobicContact CG2-CE2 3.99Å; V53-F144 HydrophobicContact CG2-CZ 3.57Å; V53-W182 HydrophobicContact CG2-CD2 4.21Å; V53-W182 HydrophobicContact CG2-CH2 4.31Å; V53-W182 HydrophobicContact CG2-CZ2 3.67Å; V53-C185 HydrophobicContact CG1-CB 3.81Å
54	C	95.7	Very high	94.6	Very high	13 Å²	13	26.3 Å²	26.3	9%	0.088	15%	0.148	C	C	.	.	H	α-helix	trans	-57.4	-47.4	177.3	-169.1	0	0	0	0	112	I50 I51 A56 C57 F58 L61	I50-C54 WeakPolarHBondContact O-CB 3.31Å; I50-C54 PolarHBondContact O-N 3.42Å; I50-C54 VanDerWaalsContact O-N 3.16Å; I51-C54 PolarHBondContact O-N 3.32Å; C54-A56 VanDerWaalsContact C-N 3.32Å; C54-A56 PolarHBondContact O-N 3.35Å; C54-C57 PolarHBondContact O-N 3.4Å; C54-F58 WeakPolarHBondContact O-CB 3.44Å; C54-F58 WeakPolarHBondContact O-CD2 3.29Å; C54-F58 PolarHBondContact O-N 2.87Å; C54-L61 HydrophobicContact CB-CD2 4.38Å
55	R	95.2	Very high	94.5	Very high	3 Å²	3	32.4 Å²	32.4	1%	0.011	17%	0.171	C	C	.	.	H	α-helix	trans	-64.9	-33.3	177.8	-71.6	161.2	58.5	-166.1	-2.8	113	Y47 I51 V52 V53 L61 D73 P137	Y47-R55 PolarHBondContact OH-NH1 3.12Å; I51-R55 VanDerWaalsContact CG2-CD 3.45Å; I51-R55 HydrophobicContact CG2-CG 4.06Å; I51-R55 WeakPolarHBondContact O-CB 3.43Å; I51-R55 WeakPolarHBondContact O-CD 3.48Å; I51-R55 WeakPolarHBondContact O-CG 3.42Å; I51-R55 PolarHBondContact O-N 3.49Å; V52-R55 PolarHBondContact O-N 2.99Å; V53-R55 PolarHBondContact O-N 2.91Å; R55-L61 HydrophobicContact CG-CD2 3.98Å; R55-L61 HydrophobicContact CG-CG 4.31Å; R55-D73 IonicContact CZ-OD1 3.93Å; R55-D73 IonicContact CZ-OD2 3.32Å; R55-D73 IonicContact NH1-OD1 2.84Å; R55-D73 PolarHBondContact NH1-OD1 3.1Å; R55-D73 IonicContact NH1-OD2 2.89Å; R55-D73 PolarHBondContact NH1-OD2 2.95Å; R55-D73 IonicContact NH2-OD2 2.84Å; R55-D73 PolarHBondContact NH2-OD2 3.41Å; R55-P137 HydrophobicContact CB-CB 4Å; R55-P137 HydrophobicContact CB-CG 3.81Å
56	A	94	Very high	94.3	Very high	35 Å²	35	34.1 Å²	34.1	29%	0.289	18%	0.18	S	C	.	.	H	α-helix	trans	-68.2	-37.9	176.8	0	0	0	0	0	112.2	V52 V53 C54 T138	V52-A56 WeakPolarHBondContact O-CB 3.44Å; V52-A56 PolarHBondContact O-N 3.29Å; V53-A56 WeakPolarHBondContact O-CB 3.36Å; V53-A56 PolarHBondContact O-N 3.35Å; V53-A56 VanDerWaalsContact O-N 3.17Å; C54-A56 VanDerWaalsContact C-N 3.32Å; C54-A56 PolarHBondContact O-N 3.35Å; A56-T138 HydrophobicContact CB-CG2 3.62Å
57	C	95.6	Very high	94.2	Very high	13 Å²	13	38.2 Å²	38.2	9%	0.088	21%	0.207	C	C	.	.	H	α-helix	trans	-89.1	-29	-176.2	-65.4	0	0	0	0	113.6	V53 C54 P59 C185 F188 A189	V53-C57 PolarHBondContact O-N 2.94Å; V53-C57 PolarHBondContact O-SG 2.96Å; C54-C57 PolarHBondContact O-N 3.4Å; C57-P59 WeakPolarHBondContact O-CD 3.42Å; C57-C185 HydrophobicContact CB-CB 3.72Å; C57-C185 VanDerWaalsContact CB-O 3.23Å; C57-C185 WeakPolarHBondContact CB-O 3.49Å; C57-C185 VanDerWaalsContact SG-C 3.6Å; C57-C185 PolarHBondContact SG-O 2.96Å; C57-F188 VanDerWaalsContact O-CD1 3.31Å; C57-F188 WeakPolarHBondContact O-CD1 3.32Å; C57-A189 HydrophobicContact CB-CB 4.08Å
58	F	94.8	Very high	94.1	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.009	22%	0.219	C	C	.	.			trans	-112.5	89.2	178.3	-63.9	-88.7	0	0	0	110.7	C54 D60 L61 C185 F188 L214 Q217 Y218	C54-F58 WeakPolarHBondContact O-CB 3.44Å; C54-F58 WeakPolarHBondContact O-CD2 3.29Å; C54-F58 PolarHBondContact O-N 2.87Å; F58-D60 VanDerWaalsContact C-N 3.31Å; F58-D60 PolarHBondContact O-N 3.49Å; F58-L61 HydrophobicContact CB-CB 4.26Å; F58-L61 WeakPolarHBondContact O-CB 3.48Å; F58-L61 PolarHBondContact O-N 2.91Å; F58-L61 VanDerWaalsContact O-N 3.1Å; F58-C185 HydrophobicContact CE2-CB 4.44Å; F58-F188 AromaticContact CD1-CD1 3.48Å; F58-F188 HydrophobicContact CD1-CD1 3.48Å; F58-F188 VanDerWaalsContact CD1-CD1 3.48Å; F58-F188 HydrophobicContact CD1-CD2 4.44Å; F58-F188 AromaticContact CD1-CE1 3.49Å; F58-F188 HydrophobicContact CD1-CE1 3.49Å; F58-F188 VanDerWaalsContact CD1-CE1 3.49Å; F58-F188 HydrophobicContact CD1-CE2 4.46Å; F58-F188 AromaticContact CD1-CG 3.97Å; F58-F188 HydrophobicContact CD1-CG 3.97Å; F58-F188 HydrophobicContact CD1-CZ 4Å; F58-F188 HydrophobicContact CE1-CB 3.88Å; F58-F188 AromaticContact CE1-CD1 3.36Å; F58-F188 HydrophobicContact CE1-CD1 3.36Å; F58-F188 AromaticContact CE1-CD2 3.7Å; F58-F188 HydrophobicContact CE1-CD2 3.7Å; F58-F188 AromaticContact CE1-CE1 3.73Å; F58-F188 HydrophobicContact CE1-CE1 3.73Å; F58-F188 HydrophobicContact CE1-CE2 4.05Å; F58-F188 AromaticContact CE1-CG 3.33Å; F58-F188 HydrophobicContact CE1-CG 3.33Å; F58-F188 HydrophobicContact CE1-CZ 4.05Å; F58-F188 HydrophobicContact CE2-CB 4.36Å; F58-F188 HydrophobicContact CE2-CD1 4.46Å; F58-F188 HydrophobicContact CG-CD1 4.1Å; F58-F188 HydrophobicContact CG-CE1 4.26Å; F58-F188 HydrophobicContact CZ-CB 3.65Å; F58-F188 AromaticContact CZ-CD1 3.89Å; F58-F188 HydrophobicContact CZ-CD1 3.89Å; F58-F188 HydrophobicContact CZ-CD2 4.29Å; F58-F188 AromaticContact CZ-CG 3.67Å; F58-F188 HydrophobicContact CZ-CG 3.67Å; F58-L214 HydrophobicContact CB-CD1 3.87Å; F58-L214 HydrophobicContact CD1-CD1 3.92Å; F58-L214 HydrophobicContact CG-CD1 4.2Å; F58-Q217 HydrophobicContact CD1-CB 4.29Å; F58-Q217 HydrophobicContact CE1-CB 3.94Å; F58-Y218 AromaticContact CE2-CD2 3.89Å; F58-Y218 HydrophobicContact CE2-CD2 3.89Å; F58-Y218 HydrophobicContact CZ-CD2 4Å
59	P	91.6	Very high	94.1	Very high	20 Å²	20	40.2 Å²	40.2	13%	0.13	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-35.8	-172.6	-16.4	25.3	0	0	0	113.6	C57 L61 Q62 H63 R192	C57-P59 WeakPolarHBondContact O-CD 3.42Å; P59-L61 PolarHBondContact O-N 3.45Å; P59-L61 VanDerWaalsContact O-N 3.16Å; P59-Q62 WeakPolarHBondContact O-CA 3.41Å; P59-Q62 WeakPolarHBondContact O-CB 3.47Å; P59-Q62 PolarHBondContact O-N 2.88Å; P59-H63 PolarHBondContact O-CD2 3.47Å; P59-H63 PolarHBondContact O-N 3.14Å; P59-R192 VanDerWaalsContact CG-CZ 3.5Å
60	D	91.4	Very high	94	Very high	76 Å²	76	41.8 Å²	41.8	41%	0.406	23%	0.23	S	C	.	.	H	α-helix	trans	-58.7	-30.8	179.7	-64.2	-17.3	0	0	0	111.5	F58 S64	F58-D60 VanDerWaalsContact C-N 3.31Å; F58-D60 PolarHBondContact O-N 3.49Å; D60-S64 VanDerWaalsContact O-CB 3.23Å; D60-S64 WeakPolarHBondContact O-CB 3.49Å; D60-S64 PolarHBondContact O-N 3.1Å; D60-S64 PolarHBondContact O-OG 3.24Å
61	L	92.9	Very high	94	Very high	28 Å²	28	44.7 Å²	44.7	15%	0.147	25%	0.25	C	C	.	.	H	α-helix	trans	-65.5	-43.9	173.1	-172.5	66.2	0	0	0	111.3	C54 R55 F58 P59 Y65 W69 L214	C54-L61 HydrophobicContact CB-CD2 4.38Å; R55-L61 HydrophobicContact CG-CD2 3.98Å; R55-L61 HydrophobicContact CG-CG 4.31Å; F58-L61 HydrophobicContact CB-CB 4.26Å; F58-L61 WeakPolarHBondContact O-CB 3.48Å; F58-L61 PolarHBondContact O-N 2.91Å; F58-L61 VanDerWaalsContact O-N 3.1Å; P59-L61 PolarHBondContact O-N 3.45Å; P59-L61 VanDerWaalsContact O-N 3.16Å; L61-Y65 HydrophobicContact CD1-CD2 4.3Å; L61-W69 HydrophobicContact CD1-CZ2 3.76Å; L61-W69 HydrophobicContact CD2-CZ2 4.39Å; L61-W69 HydrophobicContact CG-CZ2 3.82Å; L61-W69 PolarHBondContact O-NE1 2.77Å; L61-L214 HydrophobicContact CB-CD1 4.42Å; L61-L214 HydrophobicContact CB-CD2 3.94Å; L61-L214 HydrophobicContact CD1-CD2 3.85Å; L61-L214 HydrophobicContact CG-CD2 4.5Å
62	Q	93.3	Very high	94	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.009	25%	0.254	C	S	.	.	H	α-helix	trans	-68.1	-41.8	178	176.9	62.7	11.4	0	0	111.8	P59 L66 P134 P137	P59-Q62 WeakPolarHBondContact O-CA 3.41Å; P59-Q62 WeakPolarHBondContact O-CB 3.47Å; P59-Q62 PolarHBondContact O-N 2.88Å; Q62-L66 VanDerWaalsContact NE2-CD1 3.27Å; Q62-L66 PolarHBondContact O-N 2.93Å; Q62-P134 PolarHBondContact NE2-O 3.29Å; Q62-P137 HydrophobicContact CB-CG 4.21Å; Q62-P137 HydrophobicContact CG-CG 3.8Å
63	H	92.2	Very high	94.1	Very high	92 Å²	92	45.5 Å²	45.5	43%	0.426	25%	0.254	S	S	.	.	H	α-helix	trans	-70.5	-43.4	-178.3	-69.2	-67.4	0	0	0	112.5	P59 Y65 H135	P59-H63 PolarHBondContact O-CD2 3.47Å; P59-H63 PolarHBondContact O-N 3.14Å; H63-Y65 PolarHBondContact O-N 3.28Å; H63-H135 AromaticContact CE1-CD2 3.57Å; H63-H135 AromaticContact CE1-CE1 3.78Å; H63-H135 AromaticContact CE1-CG 3.24Å; H63-H135 AromaticContact CE1-ND1 3.4Å; H63-H135 PolarHBondContact CE1-ND1 3.48Å; H63-H135 AromaticContact CE1-NE2 3.89Å; H63-H135 AromaticContact ND1-CD2 3.77Å; H63-H135 AromaticContact ND1-CE1 3.2Å; H63-H135 PolarHBondContact ND1-CE1 3.39Å; H63-H135 AromaticContact ND1-CG 3.46Å; H63-H135 AromaticContact ND1-ND1 3.09Å; H63-H135 PolarHBondContact ND1-ND1 3.49Å; H63-H135 AromaticContact ND1-NE2 3.62Å
64	S	92.5	Very high	94	Very high	83 Å²	83	50.5 Å²	50.5	58%	0.58	27%	0.272	S	S	*	.	H	α-helix	trans	-70.4	-29.1	-172.9	-57.8	0	0	0	0	114	D60	D60-S64 VanDerWaalsContact O-CB 3.23Å; D60-S64 WeakPolarHBondContact O-CB 3.49Å; D60-S64 PolarHBondContact O-N 3.1Å; D60-S64 PolarHBondContact O-OG 3.24Å
65	Y	93.6	Very high	94	Very high	132 Å²	132	54.6 Å²	54.6	52%	0.518	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.1	28.6	-171.2	-58.3	-78.1	0	0	0	113.5	L61 H63 V67 A68 W69	L61-Y65 HydrophobicContact CD1-CD2 4.3Å; H63-Y65 PolarHBondContact O-N 3.28Å; Y65-V67 VanDerWaalsContact C-N 3.32Å; Y65-V67 PolarHBondContact O-N 2.84Å; Y65-V67 VanDerWaalsContact O-N 3.15Å; Y65-A68 PolarHBondContact O-N 2.91Å; Y65-W69 VanDerWaalsContact O-CD1 3.25Å; Y65-W69 PolarHBondContact O-N 2.83Å
66	L	92.1	Very high	94	Very high	40 Å²	40	54.6 Å²	54.6	21%	0.209	29%	0.292	C	S	.	.	H	α-helix	trans	-49.6	-45.7	-171.1	-173.4	67.2	0	0	0	114.3	Q62 W69 F70 P134	Q62-L66 VanDerWaalsContact NE2-CD1 3.27Å; Q62-L66 PolarHBondContact O-N 2.93Å; L66-W69 PolarHBondContact O-N 3.34Å; L66-F70 HydrophobicContact CD1-CD2 4.44Å; L66-F70 HydrophobicContact CD1-CE2 3.81Å; L66-F70 HydrophobicContact CD1-CZ 4.2Å; L66-F70 HydrophobicContact CD2-CE2 4.11Å; L66-F70 HydrophobicContact CG-CD2 4.12Å; L66-F70 HydrophobicContact CG-CE2 3.67Å; L66-F70 WeakPolarHBondContact O-CD2 3.43Å; L66-F70 PolarHBondContact O-N 2.84Å; L66-F70 VanDerWaalsContact O-N 3.1Å; L66-P134 HydrophobicContact CD1-CB 4.29Å; L66-P134 HydrophobicContact CD2-CB 4.32Å; L66-P134 HydrophobicContact CD2-CG 4.18Å
67	V	93.9	Very high	94.1	Very high	113 Å²	113	53.7 Å²	53.7	69%	0.685	28%	0.282	S	S	*	.	H	α-helix	trans	-65.8	-43.9	-178.8	-179.7	0	0	0	0	111.4	Y65 W69 F70 V71	Y65-V67 VanDerWaalsContact C-N 3.32Å; Y65-V67 PolarHBondContact O-N 2.84Å; Y65-V67 VanDerWaalsContact O-N 3.15Å; V67-W69 VanDerWaalsContact C-N 3.25Å; V67-W69 PolarHBondContact O-N 3.28Å; V67-F70 PolarHBondContact O-N 3.31Å; V67-V71 WeakPolarHBondContact O-CG2 3.45Å; V67-V71 PolarHBondContact O-N 2.87Å; V67-V71 VanDerWaalsContact O-N 3.13Å
68	A	95.4	Very high	94.2	Very high	49 Å²	49	57.7 Å²	57.7	41%	0.405	30%	0.302	S	S	.	.	H	α-helix	trans	-62.1	-37.8	177.8	0	0	0	0	0	111	Y65 V71 L72	Y65-A68 PolarHBondContact O-N 2.91Å; A68-V71 PolarHBondContact O-N 2.91Å; A68-L72 WeakPolarHBondContact O-CG 3.49Å; A68-L72 PolarHBondContact O-N 3.36Å
69	W	94.9	Very high	94.3	Very high	30 Å²	30	59.2 Å²	59.2	11%	0.114	31%	0.309	C	S	.	.	H	α-helix	trans	-63.9	-45.3	175.7	-61.8	138.9	0	0	0	113.2	Y47 I51 L61 Y65 L66 V67 V71 L72 D73	Y47-W69 HydrophobicContact CE2-CZ3 4.49Å; I51-W69 HydrophobicContact CG2-CE3 4.16Å; I51-W69 HydrophobicContact CG2-CH2 4.22Å; I51-W69 HydrophobicContact CG2-CZ3 3.79Å; L61-W69 HydrophobicContact CD1-CZ2 3.76Å; L61-W69 HydrophobicContact CD2-CZ2 4.39Å; L61-W69 HydrophobicContact CG-CZ2 3.82Å; L61-W69 PolarHBondContact O-NE1 2.77Å; Y65-W69 VanDerWaalsContact O-CD1 3.25Å; Y65-W69 PolarHBondContact O-N 2.83Å; L66-W69 PolarHBondContact O-N 3.34Å; V67-W69 VanDerWaalsContact C-N 3.25Å; V67-W69 PolarHBondContact O-N 3.28Å; W69-V71 VanDerWaalsContact C-N 3.31Å; W69-V71 PolarHBondContact O-N 3.49Å; W69-L72 HydrophobicContact CE3-CD1 3.98Å; W69-L72 HydrophobicContact CZ3-CD1 3.9Å; W69-L72 PolarHBondContact O-N 2.94Å; W69-D73 WeakPolarHBondContact O-CB 3.48Å; W69-D73 PolarHBondContact O-N 3.5Å
70	F	93.6	Very high	94.5	Very high	54 Å²	54	58.2 Å²	58.2	24%	0.237	30%	0.303	C	S	.	.	H	α-helix	trans	-59.2	-42.9	175.3	-76.5	-51.8	0	0	0	112.3	L66 V67 L72 D73 Y74 Y129 P134	L66-F70 HydrophobicContact CD1-CD2 4.44Å; L66-F70 HydrophobicContact CD1-CE2 3.81Å; L66-F70 HydrophobicContact CD1-CZ 4.2Å; L66-F70 HydrophobicContact CD2-CE2 4.11Å; L66-F70 HydrophobicContact CG-CD2 4.12Å; L66-F70 HydrophobicContact CG-CE2 3.67Å; L66-F70 WeakPolarHBondContact O-CD2 3.43Å; L66-F70 PolarHBondContact O-N 2.84Å; L66-F70 VanDerWaalsContact O-N 3.1Å; V67-F70 PolarHBondContact O-N 3.31Å; F70-L72 PolarHBondContact O-N 3.29Å; F70-D73 PolarHBondContact O-N 3.27Å; F70-Y74 HydrophobicContact CB-CD2 4.23Å; F70-Y74 HydrophobicContact CB-CE2 4.05Å; F70-Y74 AromaticContact CD1-CE2 3.75Å; F70-Y74 HydrophobicContact CD1-CE2 3.75Å; F70-Y74 HydrophobicContact CG-CE2 4.24Å; F70-Y74 WeakPolarHBondContact O-CD2 3.46Å; F70-Y74 PolarHBondContact O-N 3.45Å; F70-Y129 HydrophobicContact CE1-CD2 4.08Å; F70-Y129 AromaticContact CE1-CE2 3.99Å; F70-Y129 HydrophobicContact CE1-CE2 3.99Å; F70-P134 HydrophobicContact CE2-CB 4.27Å; F70-P134 HydrophobicContact CZ-CB 3.78Å
71	V	95.7	Very high	94.7	Very high	95 Å²	95	59.4 Å²	59.4	58%	0.576	31%	0.309	S	S	*	.	H	α-helix	trans	-59.2	-48.7	177.5	173.5	0	0	0	0	110.9	V67 A68 W69 M75	V67-V71 WeakPolarHBondContact O-CG2 3.45Å; V67-V71 PolarHBondContact O-N 2.87Å; V67-V71 VanDerWaalsContact O-N 3.13Å; A68-V71 PolarHBondContact O-N 2.91Å; W69-V71 VanDerWaalsContact C-N 3.31Å; W69-V71 PolarHBondContact O-N 3.49Å; V71-M75 WeakPolarHBondContact O-CB 3.37Å; V71-M75 PolarHBondContact O-N 2.87Å
72	L	96.1	Very high	94.9	Very high	60 Å²	60	62.5 Å²	62.5	31%	0.314	33%	0.325	S	S	.	.	H	α-helix	trans	-68.3	-39.6	-179.6	-67.8	173.6	0	0	0	112.7	Y47 A68 W69 F70 M75 S76	Y47-L72 HydrophobicContact CE1-CB 4.37Å; Y47-L72 HydrophobicContact CE2-CB 3.9Å; Y47-L72 HydrophobicContact CE2-CD1 4.03Å; Y47-L72 WeakPolarHBondContact OH-CB 3.38Å; A68-L72 WeakPolarHBondContact O-CG 3.49Å; A68-L72 PolarHBondContact O-N 3.36Å; W69-L72 HydrophobicContact CE3-CD1 3.98Å; W69-L72 HydrophobicContact CZ3-CD1 3.9Å; W69-L72 PolarHBondContact O-N 2.94Å; F70-L72 PolarHBondContact O-N 3.29Å; L72-M75 HydrophobicContact CD2-CE 3.79Å; L72-M75 PolarHBondContact O-N 3.48Å; L72-S76 PolarHBondContact O-N 2.92Å
73	D	94.9	Very high	95	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-59	-53.8	177.5	-81.8	-27	0	0	0	110.8	Y47 R55 W69 F70 S76 D77 R140	Y47-D73 PolarHBondContact OH-OD1 2.89Å; Y47-D73 VanDerWaalsContact OH-OD1 3.13Å; R55-D73 IonicContact CZ-OD1 3.93Å; R55-D73 IonicContact CZ-OD2 3.32Å; R55-D73 IonicContact NH1-OD1 2.84Å; R55-D73 PolarHBondContact NH1-OD1 3.1Å; R55-D73 IonicContact NH1-OD2 2.89Å; R55-D73 PolarHBondContact NH1-OD2 2.95Å; R55-D73 IonicContact NH2-OD2 2.84Å; R55-D73 PolarHBondContact NH2-OD2 3.41Å; W69-D73 WeakPolarHBondContact O-CB 3.48Å; W69-D73 PolarHBondContact O-N 3.5Å; F70-D73 PolarHBondContact O-N 3.27Å; D73-S76 PolarHBondContact O-N 3.03Å; D73-S76 PolarHBondContact O-OG 3.14Å; D73-D77 PolarHBondContact O-N 3.35Å; D73-R140 VanDerWaalsContact CB-CZ 3.48Å; D73-R140 PolarHBondContact O-NH2 3.1Å; D73-R140 VanDerWaalsContact O-NH2 3.17Å; D73-R140 IonicContact OD1-CZ 2.73Å; D73-R140 IonicContact OD1-NE 3.75Å; D73-R140 PolarHBondContact OD1-NE 3.47Å; D73-R140 VanDerWaalsContact OD1-NE 3.15Å; D73-R140 IonicContact OD1-NH2 3.43Å; D73-R140 IonicContact OD2-NE 2.83Å
74	Y	94.3	Very high	95.2	Very high	119 Å²	119	59.1 Å²	59.1	47%	0.467	31%	0.31	S	S	.	.	H	α-helix	trans	-72.7	-28.3	-179.5	-65.3	-57.6	0	0	0	113.1	F70 S76 D77 L78	F70-Y74 HydrophobicContact CB-CD2 4.23Å; F70-Y74 HydrophobicContact CB-CE2 4.05Å; F70-Y74 AromaticContact CD1-CE2 3.75Å; F70-Y74 HydrophobicContact CD1-CE2 3.75Å; F70-Y74 HydrophobicContact CG-CE2 4.24Å; F70-Y74 WeakPolarHBondContact O-CD2 3.46Å; F70-Y74 PolarHBondContact O-N 3.45Å; Y74-S76 VanDerWaalsContact C-N 3.33Å; Y74-D77 PolarHBondContact O-N 2.83Å; Y74-L78 WeakPolarHBondContact O-CB 3.33Å; Y74-L78 PolarHBondContact O-N 2.83Å
75	M	96.1	Very high	95.2	Very high	100 Å²	100	56.8 Å²	56.8	49%	0.493	30%	0.299	S	S	.	.	H	α-helix	trans	-63.5	-41.2	168.8	-175.4	-175.9	73.1	0	0	111	V71 L72 L78 M79	V71-M75 WeakPolarHBondContact O-CB 3.37Å; V71-M75 PolarHBondContact O-N 2.87Å; L72-M75 HydrophobicContact CD2-CE 3.79Å; L72-M75 PolarHBondContact O-N 3.48Å; M75-L78 PolarHBondContact O-N 3.26Å; M75-M79 WeakPolarHBondContact O-CG 3.38Å; M75-M79 PolarHBondContact O-N 3.15Å; M75-M79 VanDerWaalsContact O-N 3.08Å
76	S	96	Very high	95.2	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.021	28%	0.282	C	S	.	.	H	α-helix	trans	-66.3	-40.7	176	84.1	0	0	0	0	112.2	N48 L72 D73 Y74 L78 M79 Y80	N48-S76 PolarHBondContact ND2-OG 2.91Å; N48-S76 VanDerWaalsContact ND2-OG 3.17Å; L72-S76 PolarHBondContact O-N 2.92Å; D73-S76 PolarHBondContact O-N 3.03Å; D73-S76 PolarHBondContact O-OG 3.14Å; Y74-S76 VanDerWaalsContact C-N 3.33Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 3.03Å; S76-M79 WeakPolarHBondContact O-CB 3.31Å; S76-M79 PolarHBondContact O-N 3.2Å; S76-Y80 PolarHBondContact O-N 3.45Å
77	D	95.8	Very high	95.2	Very high	15 Å²	15	51.6 Å²	51.6	8%	0.08	28%	0.278	C	S	.	.	H	α-helix	trans	-65.3	-38	176.1	-72.3	-24.5	0	0	0	111	D73 Y74 M79 Y80 L81 L122 R140 R143	D73-D77 PolarHBondContact O-N 3.35Å; Y74-D77 PolarHBondContact O-N 2.83Å; D77-M79 VanDerWaalsContact C-N 3.35Å; D77-M79 PolarHBondContact O-N 3.43Å; D77-Y80 PolarHBondContact O-N 3.29Å; D77-L81 WeakPolarHBondContact O-CG 3.39Å; D77-L81 PolarHBondContact O-N 3.41Å; D77-L122 HydrophobicContact CB-CD2 4.13Å; D77-R140 IonicContact OD1-NH2 3.86Å; D77-R140 PolarHBondContact OD1-NH2 2.9Å; D77-R140 VanDerWaalsContact OD1-NH2 3.16Å; D77-R140 IonicContact OD2-CZ 3.81Å; D77-R140 IonicContact OD2-NH1 3.24Å; D77-R140 PolarHBondContact OD2-NH1 3.31Å; D77-R140 IonicContact OD2-NH2 2.73Å; D77-R140 PolarHBondContact OD2-NH2 2.61Å; D77-R143 IonicContact OD1-CZ 3.51Å; D77-R143 IonicContact OD1-NE 3.83Å; D77-R143 PolarHBondContact OD1-NE 3.43Å; D77-R143 VanDerWaalsContact OD1-NE 3.12Å; D77-R143 IonicContact OD1-NH2 3.95Å; D77-R143 IonicContact OD2-CZ 3.93Å; D77-R143 IonicContact OD2-NE 3.92Å; D77-R143 IonicContact OD2-NH2 2.7Å; D77-R143 PolarHBondContact OD2-NH2 2.91Å; D77-R143 VanDerWaalsContact OD2-NH2 3.12Å
78	L	96.1	Very high	95.2	Very high	98 Å²	98	49.1 Å²	49.1	51%	0.513	26%	0.259	S	S	.	.	H	α-helix	trans	-60.1	-43.9	172.8	177.5	63.4	0	0	0	111.4	Y74 M75 S76 Y80 L81 L82	Y74-L78 WeakPolarHBondContact O-CB 3.33Å; Y74-L78 PolarHBondContact O-N 2.83Å; M75-L78 PolarHBondContact O-N 3.26Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 3.03Å; L78-Y80 VanDerWaalsContact C-N 3.34Å; L78-Y80 PolarHBondContact O-N 3.2Å; L78-L81 WeakPolarHBondContact O-CB 3.38Å; L78-L81 PolarHBondContact O-N 3.07Å; L78-L82 HydrophobicContact CD1-CG 4.49Å; L78-L82 HydrophobicContact CG-CD1 4.36Å; L78-L82 WeakPolarHBondContact O-CG 3.36Å; L78-L82 PolarHBondContact O-N 2.75Å
79	M	97.2	Very high	95.1	Very high	33 Å²	33	49.1 Å²	49.1	16%	0.163	25%	0.25	C	S	.	.	H	α-helix	trans	-62.9	-39.8	176.2	-70.8	-173.7	66.6	0	0	112.4	T40 M41 P44 M75 S76 D77 L81 L82 D83	T40-M79 HydrophobicContact CG2-CE 3.64Å; T40-M79 WeakPolarHBondContact O-CE 3.33Å; M41-M79 HydrophobicContact SD-CB 4.29Å; M41-M79 HydrophobicContact SD-CE 4.08Å; P44-M79 HydrophobicContact CB-CB 4.37Å; P44-M79 HydrophobicContact CB-SD 4.12Å; P44-M79 HydrophobicContact CG-CB 4.11Å; P44-M79 HydrophobicContact CG-CE 3.66Å; P44-M79 HydrophobicContact CG-SD 3.83Å; M75-M79 WeakPolarHBondContact O-CG 3.38Å; M75-M79 PolarHBondContact O-N 3.15Å; M75-M79 VanDerWaalsContact O-N 3.08Å; S76-M79 WeakPolarHBondContact O-CB 3.31Å; S76-M79 PolarHBondContact O-N 3.2Å; D77-M79 VanDerWaalsContact C-N 3.35Å; D77-M79 PolarHBondContact O-N 3.43Å; M79-L81 VanDerWaalsContact C-N 3.33Å; M79-L81 PolarHBondContact O-N 3.24Å; M79-L82 PolarHBondContact O-N 3.2Å; M79-D83 WeakPolarHBondContact O-CB 3.5Å; M79-D83 PolarHBondContact O-N 3.28Å
80	Y	96.4	Very high	95	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63.9	-36.5	175	-74.1	-1.8	0	0	0	112.8	M41 P44 V45 N48 S76 D77 L78 D83 I84 L122 R143 R146	M41-Y80 HydrophobicContact CE-CD1 3.61Å; M41-Y80 HydrophobicContact CE-CE1 4.07Å; P44-Y80 HydrophobicContact CB-CD1 4.4Å; P44-Y80 HydrophobicContact CB-CE1 3.87Å; P44-Y80 HydrophobicContact CG-CD1 4.42Å; P44-Y80 HydrophobicContact CG-CE1 3.99Å; V45-Y80 WeakPolarHBondContact CA-OH 3.27Å; V45-Y80 HydrophobicContact CG2-CE1 3.87Å; N48-Y80 PolarHBondContact ND2-OH 3.33Å; S76-Y80 PolarHBondContact O-N 3.45Å; D77-Y80 PolarHBondContact O-N 3.29Å; L78-Y80 VanDerWaalsContact C-N 3.34Å; L78-Y80 PolarHBondContact O-N 3.2Å; Y80-D83 PolarHBondContact O-N 3Å; Y80-I84 PolarHBondContact O-N 3.35Å; Y80-L122 HydrophobicContact CD2-CD2 4.45Å; Y80-R143 HydrophobicContact CE2-CB 4.14Å; Y80-R143 HydrophobicContact CE2-CG 4.02Å; Y80-R146 HydrophobicContact CD1-CG 4.29Å; Y80-R146 HydrophobicContact CD2-CG 3.86Å; Y80-R146 HydrophobicContact CE1-CB 4.12Å; Y80-R146 HydrophobicContact CE1-CG 4.03Å; Y80-R146 HydrophobicContact CE2-CB 4.08Å; Y80-R146 HydrophobicContact CE2-CG 3.59Å; Y80-R146 HydrophobicContact CG-CG 4.2Å; Y80-R146 PolarHBondContact O-NH2 3.24Å
81	L	96.3	Very high	94.8	Very high	101 Å²	101	46.1 Å²	46.1	53%	0.529	24%	0.241	S	C	.	.	H	α-helix	trans	-66.2	-45.3	172.9	-76	166.9	0	0	0	111.6	D77 L78 M79 D83 I84 G85 L122	D77-L81 WeakPolarHBondContact O-CG 3.39Å; D77-L81 PolarHBondContact O-N 3.41Å; L78-L81 WeakPolarHBondContact O-CB 3.38Å; L78-L81 PolarHBondContact O-N 3.07Å; M79-L81 VanDerWaalsContact C-N 3.33Å; M79-L81 PolarHBondContact O-N 3.24Å; L81-D83 VanDerWaalsContact C-N 3.26Å; L81-D83 PolarHBondContact O-N 3.48Å; L81-I84 PolarHBondContact O-N 3.07Å; L81-G85 PolarHBondContact O-N 3.24Å; L81-L122 HydrophobicContact CD2-CD1 3.64Å; L81-L122 HydrophobicContact CG-CD1 3.88Å; L81-L122 HydrophobicContact CG-CD2 4.17Å
82	L	95.9	Very high	94.6	Very high	92 Å²	92	42.8 Å²	42.8	48%	0.482	22%	0.219	S	C	.	.	H	α-helix	trans	-60.8	-37.7	175.5	-68.4	174.5	0	0	0	111.6	W37 L78 M79 I84 G85 V86	W37-L82 HydrophobicContact CH2-CB 3.74Å; W37-L82 HydrophobicContact CH2-CD1 4.42Å; W37-L82 HydrophobicContact CZ2-CB 4.01Å; L78-L82 HydrophobicContact CD1-CG 4.49Å; L78-L82 HydrophobicContact CG-CD1 4.36Å; L78-L82 WeakPolarHBondContact O-CG 3.36Å; L78-L82 PolarHBondContact O-N 2.75Å; M79-L82 PolarHBondContact O-N 3.2Å; L82-I84 PolarHBondContact O-N 2.65Å; L82-G85 CarbonylContact O-C 3.44Å; L82-G85 WeakPolarHBondContact O-CA 3.27Å; L82-G85 PolarHBondContact O-N 3.16Å; L82-G85 VanDerWaalsContact O-N 3.1Å; L82-V86 PolarHBondContact O-N 3.49Å
83	D	96.1	Very high	94.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.3	-37.4	178.5	-174.8	67.7	0	0	0	113	W37 M41 M79 Y80 L81 G85 V86 R87 R146 R149	W37-D83 HydrophobicContact CZ2-CB 4.1Å; W37-D83 PolarHBondContact NE1-OD1 3.27Å; M41-D83 HydrophobicContact CE-CB 3.38Å; M41-D83 HydrophobicContact CG-CB 4.43Å; M41-D83 HydrophobicContact SD-CB 3.8Å; M79-D83 WeakPolarHBondContact O-CB 3.5Å; M79-D83 PolarHBondContact O-N 3.28Å; Y80-D83 PolarHBondContact O-N 3Å; L81-D83 VanDerWaalsContact C-N 3.26Å; L81-D83 PolarHBondContact O-N 3.48Å; D83-G85 VanDerWaalsContact C-N 3.3Å; D83-G85 PolarHBondContact O-N 3.08Å; D83-V86 PolarHBondContact O-N 2.83Å; D83-R87 WeakPolarHBondContact O-CG 3.34Å; D83-R87 PolarHBondContact O-N 2.88Å; D83-R146 IonicContact OD2-NH1 2.74Å; D83-R146 PolarHBondContact OD2-NH1 2.95Å; D83-R149 IonicContact OD1-CZ 3.28Å; D83-R149 VanDerWaalsContact OD1-CZ 3.24Å; D83-R149 IonicContact OD1-NE 3.43Å; D83-R149 PolarHBondContact OD1-NE 2.98Å; D83-R149 IonicContact OD1-NH2 3.96Å; D83-R149 PolarHBondContact OD1-NH2 3Å; D83-R149 IonicContact OD2-NE 2.95Å
84	I	95.3	Very high	94.1	Very high	24 Å²	24	48.7 Å²	48.7	12%	0.123	25%	0.247	C	C	.	.	H	α-helix	trans	-60.3	-45.3	170.6	-69.6	173.2	0	0	0	109.7	Y80 L81 L82 V86 R87 F88 Y109 D118 L122	Y80-I84 PolarHBondContact O-N 3.35Å; L81-I84 PolarHBondContact O-N 3.07Å; L82-I84 PolarHBondContact O-N 2.65Å; I84-V86 VanDerWaalsContact C-N 3.35Å; I84-V86 PolarHBondContact O-N 3.46Å; I84-R87 PolarHBondContact O-N 2.9Å; I84-F88 HydrophobicContact CG2-CD2 3.73Å; I84-F88 HydrophobicContact CG2-CE2 3.48Å; I84-F88 VanDerWaalsContact CG2-CE2 3.48Å; I84-F88 WeakPolarHBondContact O-CD2 3.28Å; I84-F88 PolarHBondContact O-N 3.41Å; I84-Y109 HydrophobicContact CG2-CE1 4.31Å; I84-D118 HydrophobicContact CD1-CB 4.03Å; I84-D118 HydrophobicContact CG1-CB 3.98Å; I84-L122 HydrophobicContact CD1-CD1 3.48Å; I84-L122 VanDerWaalsContact CD1-CD1 3.48Å
85	G	93.9	Very high	93.8	Very high	34 Å²	34	52.2 Å²	52.2	35%	0.351	27%	0.268	S	S	.	.	H	α-helix	trans	-56.7	-46.5	174.4	0	0	0	0	0	112.5	L81 L82 D83 R87 F88 H89	L81-G85 PolarHBondContact O-N 3.24Å; L82-G85 CarbonylContact O-C 3.44Å; L82-G85 WeakPolarHBondContact O-CA 3.27Å; L82-G85 PolarHBondContact O-N 3.16Å; L82-G85 VanDerWaalsContact O-N 3.1Å; D83-G85 VanDerWaalsContact C-N 3.3Å; D83-G85 PolarHBondContact O-N 3.08Å; G85-R87 VanDerWaalsContact C-N 3.33Å; G85-R87 PolarHBondContact O-N 3.27Å; G85-F88 PolarHBondContact O-N 3.26Å; G85-H89 PolarHBondContact O-CD2 3.21Å; G85-H89 VanDerWaalsContact O-CD2 3.3Å; G85-H89 PolarHBondContact O-N 2.99Å
86	V	93.8	Very high	93.3	Very high	25 Å²	25	50.6 Å²	50.6	15%	0.152	28%	0.276	C	S	.	.	H	α-helix	trans	-61.1	-40.6	176	168	0	0	0	0	111.6	L27 W37 L82 D83 I84 H89 T90	L27-V86 HydrophobicContact CD1-CG1 3.77Å; W37-V86 HydrophobicContact CD2-CG2 4.03Å; W37-V86 HydrophobicContact CG-CG1 4.2Å; W37-V86 HydrophobicContact CG-CG2 4.46Å; W37-V86 HydrophobicContact CH2-CG2 4.48Å; W37-V86 HydrophobicContact CZ2-CG2 3.93Å; L82-V86 PolarHBondContact O-N 3.49Å; D83-V86 PolarHBondContact O-N 2.83Å; I84-V86 VanDerWaalsContact C-N 3.35Å; I84-V86 PolarHBondContact O-N 3.46Å; V86-H89 CarbonylContact O-C 3.53Å; V86-H89 VanDerWaalsContact O-C 3.26Å; V86-H89 WeakPolarHBondContact O-CA 3.33Å; V86-H89 PolarHBondContact O-N 3.4Å; V86-T90 PolarHBondContact O-N 2.86Å; V86-T90 PolarHBondContact O-OG1 3.38Å
87	R	92.4	Very high	92.9	Very high	37 Å²	37	56.2 Å²	56.2	14%	0.14	31%	0.305	C	S	.	.	H	α-helix	trans	-65.9	-37.2	177.8	-78.5	-176.6	151.4	-178.1	-1.2	113.2	D83 I84 G85 H89 T90 Y109 D118 E152	D83-R87 WeakPolarHBondContact O-CG 3.34Å; D83-R87 PolarHBondContact O-N 2.88Å; I84-R87 PolarHBondContact O-N 2.9Å; G85-R87 VanDerWaalsContact C-N 3.33Å; G85-R87 PolarHBondContact O-N 3.27Å; R87-H89 PolarHBondContact O-N 3.01Å; R87-T90 PolarHBondContact O-N 3.13Å; R87-Y109 HydrophobicContact CB-CD1 4.39Å; R87-Y109 HydrophobicContact CB-CD2 4.46Å; R87-Y109 HydrophobicContact CB-CE1 3.89Å; R87-Y109 HydrophobicContact CB-CE2 4.02Å; R87-Y109 HydrophobicContact CG-CE2 4.45Å; R87-D118 IonicContact CZ-OD2 3.16Å; R87-D118 VanDerWaalsContact NH1-CG 3.3Å; R87-D118 IonicContact NH1-OD1 3.61Å; R87-D118 PolarHBondContact NH1-OD1 2.89Å; R87-D118 VanDerWaalsContact NH1-OD1 3.13Å; R87-D118 IonicContact NH1-OD2 3.12Å; R87-D118 PolarHBondContact NH1-OD2 3.46Å; R87-E152 IonicContact NH2-OE2 2.69Å; R87-E152 PolarHBondContact NH2-OE2 3.49Å
88	F	93.5	Very high	92.7	Very high	61 Å²	61	58.1 Å²	58.1	27%	0.268	32%	0.315	S	S	.	.	H	α-helix	trans	-64.4	-17	169.9	-81.2	-69.7	0	0	0	113.5	I84 G85 I105 A106 Y109 V110 F115	I84-F88 HydrophobicContact CG2-CD2 3.73Å; I84-F88 HydrophobicContact CG2-CE2 3.48Å; I84-F88 VanDerWaalsContact CG2-CE2 3.48Å; I84-F88 WeakPolarHBondContact O-CD2 3.28Å; I84-F88 PolarHBondContact O-N 3.41Å; G85-F88 PolarHBondContact O-N 3.26Å; F88-I105 WeakPolarHBondContact O-CG2 3.48Å; F88-A106 HydrophobicContact CD1-CB 3.83Å; F88-A106 HydrophobicContact CE1-CB 3.98Å; F88-Y109 AromaticContact CD1-CD1 3.85Å; F88-Y109 HydrophobicContact CD1-CD1 3.85Å; F88-Y109 HydrophobicContact CD1-CE1 4.45Å; F88-Y109 HydrophobicContact CD2-CD1 4.11Å; F88-Y109 AromaticContact CD2-CE1 3.89Å; F88-Y109 HydrophobicContact CD2-CE1 3.89Å; F88-Y109 AromaticContact CE1-CD1 3.66Å; F88-Y109 HydrophobicContact CE1-CD1 3.66Å; F88-Y109 HydrophobicContact CE1-CE1 4.24Å; F88-Y109 AromaticContact CE2-CD1 3.93Å; F88-Y109 HydrophobicContact CE2-CD1 3.93Å; F88-Y109 AromaticContact CE2-CE1 3.64Å; F88-Y109 HydrophobicContact CE2-CE1 3.64Å; F88-Y109 HydrophobicContact CG-CD1 4.06Å; F88-Y109 HydrophobicContact CG-CE1 4.28Å; F88-Y109 AromaticContact CZ-CD1 3.69Å; F88-Y109 HydrophobicContact CZ-CD1 3.69Å; F88-Y109 AromaticContact CZ-CE1 3.82Å; F88-Y109 HydrophobicContact CZ-CE1 3.82Å; F88-V110 HydrophobicContact CE1-CG2 3.91Å; F88-V110 HydrophobicContact CZ-CG2 4.02Å; F88-F115 HydrophobicContact CE2-CE2 4.14Å; F88-F115 HydrophobicContact CZ-CD2 4.41Å; F88-F115 AromaticContact CZ-CE2 3.84Å; F88-F115 HydrophobicContact CZ-CE2 3.84Å
89	H	92.1	Very high	92.5	Very high	49 Å²	49	54.4 Å²	54.4	23%	0.227	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	3.8	177	-79.9	-92.9	0	0	0	113.7	V26 L27 G85 V86 R87	V26-H89 CarbonylContact C-O 3.56Å; V26-H89 VanDerWaalsContact CA-O 3.31Å; V26-H89 WeakPolarHBondContact CA-O 3.37Å; V26-H89 WeakPolarHBondContact CG1-O 3.41Å; L27-H89 PolarHBondContact N-O 3.33Å; G85-H89 PolarHBondContact O-CD2 3.21Å; G85-H89 VanDerWaalsContact O-CD2 3.3Å; G85-H89 PolarHBondContact O-N 2.99Å; V86-H89 CarbonylContact O-C 3.53Å; V86-H89 VanDerWaalsContact O-C 3.26Å; V86-H89 WeakPolarHBondContact O-CA 3.33Å; V86-H89 PolarHBondContact O-N 3.4Å; R87-H89 PolarHBondContact O-N 3.01Å
90	T	92.5	Very high	92.1	Very high	17 Å²	17	56.9 Å²	56.9	10%	0.104	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-93.2	123.1	178.2	-55.5	0	0	0	0	109.5	P29 Y34 V86 R87 I105	P29-T90 HydrophobicContact CB-CG2 3.99Å; Y34-T90 HydrophobicContact CD2-CG2 3.95Å; Y34-T90 HydrophobicContact CE2-CG2 3.72Å; V86-T90 PolarHBondContact O-N 2.86Å; V86-T90 PolarHBondContact O-OG1 3.38Å; R87-T90 PolarHBondContact O-N 3.13Å; T90-I105 VanDerWaalsContact O-CG2 3.25Å; T90-I105 WeakPolarHBondContact O-CG2 3.5Å
91	G	90.5	Very high	91.8	Very high	5 Å²	5	61.2 Å²	61.2	5%	0.052	34%	0.336	C	S	.	.			trans	-68.7	166.5	177.4	0	0	0	0	0	111.9	L27 P29	L27-G91 PolarHBondContact O-N 3.24Å; P29-G91 WeakPolarHBondContact CD-O 3.2Å; P29-G91 WeakPolarHBondContact CG-O 3.49Å
92	F	91.1	Very high	91.4	Very high	25 Å²	25	60.4 Å²	60.4	11%	0.11	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	156.7	172.2	63.9	-91.3	0	0	0	110.1	E94 V99 M104 I105 R108	F92-E94 HydrophobicContact CD2-CB 4.27Å; F92-E94 HydrophobicContact CE2-CB 3.92Å; F92-E94 WeakPolarHBondContact CE2-OE2 3.45Å; F92-V99 HydrophobicContact CD1-CB 4.41Å; F92-V99 HydrophobicContact CD2-CB 4.3Å; F92-V99 HydrophobicContact CD2-CG2 4.2Å; F92-V99 HydrophobicContact CE1-CB 4.06Å; F92-V99 HydrophobicContact CE1-CG1 4Å; F92-V99 HydrophobicContact CE2-CB 3.99Å; F92-V99 HydrophobicContact CE2-CG1 4.41Å; F92-V99 HydrophobicContact CE2-CG2 3.75Å; F92-V99 HydrophobicContact CZ-CB 3.85Å; F92-V99 HydrophobicContact CZ-CG1 3.82Å; F92-V99 HydrophobicContact CZ-CG2 4.01Å; F92-V99 PolarHBondContact O-N 3.41Å; F92-M104 HydrophobicContact CE1-CB 4.37Å; F92-M104 HydrophobicContact CZ-CB 4.31Å; F92-I105 HydrophobicContact CD1-CG1 4.04Å; F92-I105 HydrophobicContact CE1-CG1 4.03Å; F92-R108 HydrophobicContact CE1-CB 4.26Å
93	L	90.8	Very high	91.2	Very high	95 Å²	95	58.3 Å²	58.3	50%	0.497	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	126.3	175.4	-70.5	163.5	0	0	0	109.6	I97 L98	L93-I97 WeakPolarHBondContact CA-O 3.35Å; L93-L98 HydrophobicContact CD2-CB 4.42Å
94	E	89.2	Confident	90.9	Very high	89 Å²	89	62.4 Å²	62.4	42%	0.416	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	119.9	170.1	-168.7	161.9	-158.6	0	0	107.7	F92 G96 I97 V99	F92-E94 HydrophobicContact CD2-CB 4.27Å; F92-E94 HydrophobicContact CE2-CB 3.92Å; F92-E94 WeakPolarHBondContact CE2-OE2 3.45Å; E94-G96 PolarHBondContact O-N 3.14Å; E94-G96 VanDerWaalsContact O-N 3.08Å; E94-I97 PolarHBondContact N-O 3.34Å; E94-I97 PolarHBondContact O-N 3.44Å; E94-V99 HydrophobicContact CB-CG2 3.62Å
95	Q	89	Confident	90.8	Very high	194 Å²	194	61.5 Å²	61.5	91%	0.907	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	30	-173.6	-57.6	177.7	-33.6	0	0	113.9	I97	Q95-I97 VanDerWaalsContact C-N 3.29Å; Q95-I97 PolarHBondContact O-N 3.39Å
96	G	85.1	Confident	90.8	Very high	65 Å²	65	61.3 Å²	61.3	67%	0.67	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-1.8	-178.6	0	0	0	0	0	115.1	E94	E94-G96 PolarHBondContact O-N 3.14Å; E94-G96 VanDerWaalsContact O-N 3.08Å
97	I	88.9	Confident	90.8	Very high	121 Å²	121	64.2 Å²	64.2	62%	0.621	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	134.3	176.4	-56.6	174.4	0	0	0	109	L93 E94 Q95 V99	L93-I97 WeakPolarHBondContact CA-O 3.35Å; E94-I97 PolarHBondContact N-O 3.34Å; E94-I97 PolarHBondContact O-N 3.44Å; Q95-I97 VanDerWaalsContact C-N 3.29Å; Q95-I97 PolarHBondContact O-N 3.39Å; I97-V99 PolarHBondContact O-N 2.92Å
98	L	91.3	Very high	90.8	Very high	55 Å²	55	68.5 Å²	68.5	29%	0.288	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	113.2	175.1	-178.2	66.3	0	0	0	109.5	D28 P29 L93 V100	D28-L98 HydrophobicContact CB-CD2 4.16Å; P29-L98 HydrophobicContact CG-CD1 4.41Å; L93-L98 HydrophobicContact CD2-CB 4.42Å; L98-V100 HydrophobicContact CD2-CG2 4.41Å; L98-V100 HydrophobicContact CG-CG2 4.27Å; L98-V100 PolarHBondContact O-N 3.46Å
99	V	91	Very high	90.9	Very high	21 Å²	21	66.5 Å²	66.5	13%	0.127	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	118.4	174.8	-178.8	0	0	0	0	109.1	F92 E94 I97 D101 M104	F92-V99 HydrophobicContact CD1-CB 4.41Å; F92-V99 HydrophobicContact CD2-CB 4.3Å; F92-V99 HydrophobicContact CD2-CG2 4.2Å; F92-V99 HydrophobicContact CE1-CB 4.06Å; F92-V99 HydrophobicContact CE1-CG1 4Å; F92-V99 HydrophobicContact CE2-CB 3.99Å; F92-V99 HydrophobicContact CE2-CG1 4.41Å; F92-V99 HydrophobicContact CE2-CG2 3.75Å; F92-V99 HydrophobicContact CZ-CB 3.85Å; F92-V99 HydrophobicContact CZ-CG1 3.82Å; F92-V99 HydrophobicContact CZ-CG2 4.01Å; F92-V99 PolarHBondContact O-N 3.41Å; E94-V99 HydrophobicContact CB-CG2 3.62Å; I97-V99 PolarHBondContact O-N 2.92Å; V99-D101 HydrophobicContact CG1-CB 4.33Å; V99-M104 HydrophobicContact CG1-CB 4.09Å; V99-M104 HydrophobicContact CG1-CE 4.39Å; V99-M104 HydrophobicContact CG1-SD 4.05Å
100	V	89.3	Confident	91	Very high	84 Å²	84	67.7 Å²	67.7	51%	0.509	38%	0.379	S	S	.	.			trans	-103.8	-6	-177.5	-178.5	0	0	0	0	111.8	V26 L98 K102	V26-V100 HydrophobicContact CB-CG1 3.91Å; V26-V100 HydrophobicContact CG2-CG1 3.69Å; V26-V100 WeakPolarHBondContact CG2-O 3.41Å; L98-V100 HydrophobicContact CD2-CG2 4.41Å; L98-V100 HydrophobicContact CG-CG2 4.27Å; L98-V100 PolarHBondContact O-N 3.46Å; V100-K102 PolarHBondContact O-N 3.23Å
101	D	89.9	Confident	91.1	Very high	92 Å²	92	77.8 Å²	77.8	49%	0.492	42%	0.415	S	S	.	.			trans	-68.9	115.9	178.7	-170.2	-33.6	0	0	0	111.2	V99 G103 M104 I105	V99-D101 HydrophobicContact CG1-CB 4.33Å; D101-G103 VanDerWaalsContact C-N 3.29Å; D101-G103 PolarHBondContact O-N 2.9Å; D101-G103 PolarHBondContact OD1-N 2.94Å; D101-M104 HydrophobicContact CB-CB 4.18Å; D101-M104 HydrophobicContact CB-CG 4.07Å; D101-M104 HydrophobicContact CB-SD 4.23Å; D101-M104 PolarHBondContact O-N 2.87Å; D101-I105 VanDerWaalsContact O-CG1 3.24Å; D101-I105 WeakPolarHBondContact O-CG1 3.38Å; D101-I105 PolarHBondContact O-N 2.96Å
102	K	88.9	Confident	91.2	Very high	84 Å²	84	80.5 Å²	80.5	37%	0.365	43%	0.43	S	S	.	.	H	α-helix	trans	-61.7	-33.2	-179.1	-65.7	-176.7	176.9	-179.6	0	113.2	L24 V26 V100 A106	L24-K102 PolarHBondContact O-NZ 2.93Å; V26-K102 HydrophobicContact CG2-CG 4.46Å; V100-K102 PolarHBondContact O-N 3.23Å; K102-A106 VanDerWaalsContact O-CB 3.26Å; K102-A106 WeakPolarHBondContact O-CB 3.47Å; K102-A106 PolarHBondContact O-N 3.05Å
103	G	91.2	Very high	91.3	Very high	47 Å²	47	87.8 Å²	87.8	49%	0.485	46%	0.457	S	S	.	.	H	α-helix	trans	-67.2	-44.3	177.4	0	0	0	0	0	111.4	D101 S107	D101-G103 VanDerWaalsContact C-N 3.29Å; D101-G103 PolarHBondContact O-N 2.9Å; D101-G103 PolarHBondContact OD1-N 2.94Å; G103-S107 WeakPolarHBondContact O-CB 3.43Å; G103-S107 PolarHBondContact O-N 3.14Å
104	M	90.4	Very high	91.3	Very high	86 Å²	86	84.9 Å²	84.9	42%	0.424	45%	0.445	S	S	.	.	H	α-helix	trans	-66.6	-43.1	176.1	-65.5	-174.2	68.9	0	0	111.8	F92 V99 D101 S107 R108	F92-M104 HydrophobicContact CE1-CB 4.37Å; F92-M104 HydrophobicContact CZ-CB 4.31Å; V99-M104 HydrophobicContact CG1-CB 4.09Å; V99-M104 HydrophobicContact CG1-CE 4.39Å; V99-M104 HydrophobicContact CG1-SD 4.05Å; D101-M104 HydrophobicContact CB-CB 4.18Å; D101-M104 HydrophobicContact CB-CG 4.07Å; D101-M104 HydrophobicContact CB-SD 4.23Å; D101-M104 PolarHBondContact O-N 2.87Å; M104-S107 PolarHBondContact O-N 3.4Å; M104-R108 WeakPolarHBondContact O-CB 3.28Å; M104-R108 PolarHBondContact O-N 3.32Å
105	I	93.1	Very high	91.6	Very high	5 Å²	5	82.8 Å²	82.8	3%	0.026	44%	0.435	C	S	.	.	H	α-helix	trans	-58.2	-51.4	175.9	-67.6	163.8	0	0	0	110.4	V26 F88 T90 F92 D101 R108 Y109	V26-I105 HydrophobicContact CG1-CD1 3.8Å; V26-I105 HydrophobicContact CG2-CD1 4.12Å; F88-I105 WeakPolarHBondContact O-CG2 3.48Å; T90-I105 VanDerWaalsContact O-CG2 3.25Å; T90-I105 WeakPolarHBondContact O-CG2 3.5Å; F92-I105 HydrophobicContact CD1-CG1 4.04Å; F92-I105 HydrophobicContact CE1-CG1 4.03Å; D101-I105 VanDerWaalsContact O-CG1 3.24Å; D101-I105 WeakPolarHBondContact O-CG1 3.38Å; D101-I105 PolarHBondContact O-N 2.96Å; I105-R108 PolarHBondContact O-N 3.36Å; I105-Y109 WeakPolarHBondContact O-CB 3.48Å; I105-Y109 PolarHBondContact O-N 3.12Å
106	A	93.4	Very high	91.8	Very high	31 Å²	31	77.5 Å²	77.5	26%	0.256	41%	0.412	S	S	.	.	H	α-helix	trans	-62.4	-46.4	-179.6	0	0	0	0	0	112.1	F88 K102 R108 Y109 V110	F88-A106 HydrophobicContact CD1-CB 3.83Å; F88-A106 HydrophobicContact CE1-CB 3.98Å; K102-A106 VanDerWaalsContact O-CB 3.26Å; K102-A106 WeakPolarHBondContact O-CB 3.47Å; K102-A106 PolarHBondContact O-N 3.05Å; A106-R108 VanDerWaalsContact C-N 3.31Å; A106-R108 PolarHBondContact O-N 2.91Å; A106-Y109 PolarHBondContact O-N 3.3Å; A106-V110 WeakPolarHBondContact O-CB 3.34Å; A106-V110 VanDerWaalsContact O-CG2 3.3Å; A106-V110 WeakPolarHBondContact O-CG2 3.45Å; A106-V110 PolarHBondContact O-N 3.24Å
107	S	93.9	Very high	92.3	Very high	86 Å²	86	76.2 Å²	76.2	60%	0.601	39%	0.389	S	S	*	.	H	α-helix	trans	-61.9	-39.2	179.1	-174.9	0	0	0	0	112.2	G103 M104 R111	G103-S107 WeakPolarHBondContact O-CB 3.43Å; G103-S107 PolarHBondContact O-N 3.14Å; M104-S107 PolarHBondContact O-N 3.4Å; S107-R111 PolarHBondContact O-N 3.48Å
108	R	92.8	Very high	92.6	Very high	127 Å²	127	70.7 Å²	70.7	48%	0.479	36%	0.361	S	S	.	.	H	α-helix	trans	-68.4	-47.1	177.4	-177.6	176.4	177.8	143.2	-1.6	111.3	F92 M104 I105 A106 R111 T112	F92-R108 HydrophobicContact CE1-CB 4.26Å; M104-R108 WeakPolarHBondContact O-CB 3.28Å; M104-R108 PolarHBondContact O-N 3.32Å; I105-R108 PolarHBondContact O-N 3.36Å; A106-R108 VanDerWaalsContact C-N 3.31Å; A106-R108 PolarHBondContact O-N 2.91Å; R108-R111 PolarHBondContact O-N 3.14Å; R108-T112 PolarHBondContact O-N 2.82Å; R108-T112 PolarHBondContact O-OG1 3.49Å
109	Y	94	Very high	92.7	Very high	18 Å²	18	72.7 Å²	72.7	7%	0.071	37%	0.372	C	S	.	.	H	α-helix	trans	-61.9	-47.7	-178.5	175.7	-132.2	0	0	0	111.7	I84 R87 F88 I105 A106 R111 T112 F115 D118	I84-Y109 HydrophobicContact CG2-CE1 4.31Å; R87-Y109 HydrophobicContact CB-CD1 4.39Å; R87-Y109 HydrophobicContact CB-CD2 4.46Å; R87-Y109 HydrophobicContact CB-CE1 3.89Å; R87-Y109 HydrophobicContact CB-CE2 4.02Å; R87-Y109 HydrophobicContact CG-CE2 4.45Å; F88-Y109 AromaticContact CD1-CD1 3.85Å; F88-Y109 HydrophobicContact CD1-CD1 3.85Å; F88-Y109 HydrophobicContact CD1-CE1 4.45Å; F88-Y109 HydrophobicContact CD2-CD1 4.11Å; F88-Y109 AromaticContact CD2-CE1 3.89Å; F88-Y109 HydrophobicContact CD2-CE1 3.89Å; F88-Y109 AromaticContact CE1-CD1 3.66Å; F88-Y109 HydrophobicContact CE1-CD1 3.66Å; F88-Y109 HydrophobicContact CE1-CE1 4.24Å; F88-Y109 AromaticContact CE2-CD1 3.93Å; F88-Y109 HydrophobicContact CE2-CD1 3.93Å; F88-Y109 AromaticContact CE2-CE1 3.64Å; F88-Y109 HydrophobicContact CE2-CE1 3.64Å; F88-Y109 HydrophobicContact CG-CD1 4.06Å; F88-Y109 HydrophobicContact CG-CE1 4.28Å; F88-Y109 AromaticContact CZ-CD1 3.69Å; F88-Y109 HydrophobicContact CZ-CD1 3.69Å; F88-Y109 AromaticContact CZ-CE1 3.82Å; F88-Y109 HydrophobicContact CZ-CE1 3.82Å; I105-Y109 WeakPolarHBondContact O-CB 3.48Å; I105-Y109 PolarHBondContact O-N 3.12Å; A106-Y109 PolarHBondContact O-N 3.3Å; Y109-R111 PolarHBondContact O-N 2.67Å; Y109-T112 WeakPolarHBondContact O-CB 3.33Å; Y109-T112 PolarHBondContact O-N 3.43Å; Y109-F115 HydrophobicContact CD1-CD2 4.02Å; Y109-F115 HydrophobicContact CD2-CB 4.14Å; Y109-F115 AromaticContact CE1-CD2 3.5Å; Y109-F115 HydrophobicContact CE1-CD2 3.5Å; Y109-F115 HydrophobicContact CE1-CE2 4.16Å; Y109-F115 HydrophobicContact CE1-CG 4.44Å; Y109-F115 HydrophobicContact CE2-CB 3.9Å; Y109-F115 HydrophobicContact CE2-CD2 4.27Å; Y109-F115 AromaticContact CZ-CD2 3.64Å; Y109-F115 VanDerWaalsContact O-CB 3.22Å; Y109-F115 WeakPolarHBondContact O-CB 3.46Å; Y109-D118 PolarHBondContact OH-OD2 3.37Å
110	V	95.6	Very high	92.9	Very high	75 Å²	75	73.1 Å²	73.1	46%	0.455	38%	0.378	S	S	.	.	H	α-helix	trans	-61.7	-29.6	180	173	0	0	0	0	112.8	F88 A106 T112 F115	F88-V110 HydrophobicContact CE1-CG2 3.91Å; F88-V110 HydrophobicContact CZ-CG2 4.02Å; A106-V110 WeakPolarHBondContact O-CB 3.34Å; A106-V110 VanDerWaalsContact O-CG2 3.3Å; A106-V110 WeakPolarHBondContact O-CG2 3.45Å; A106-V110 PolarHBondContact O-N 3.24Å; V110-T112 VanDerWaalsContact C-N 3.32Å; V110-F115 HydrophobicContact CB-CD1 4.27Å; V110-F115 HydrophobicContact CB-CE1 4.39Å; V110-F115 HydrophobicContact CG1-CD1 4.12Å; V110-F115 HydrophobicContact CG1-CE1 3.98Å; V110-F115 HydrophobicContact CG2-CD1 4.36Å; V110-F115 HydrophobicContact CG2-CE1 4.18Å; V110-F115 HydrophobicContact CG2-CE2 4.41Å; V110-F115 HydrophobicContact CG2-CZ 4.2Å
111	R	94.1	Very high	93.2	Very high	228 Å²	228	69.1 Å²	69.1	86%	0.86	35%	0.353	S	S	*	.	H	α-helix	trans	-79.7	-13.8	176.2	-168.7	173	177.4	-178.8	-0.4	113.3	S107 R108 Y109	S107-R111 PolarHBondContact O-N 3.48Å; R108-R111 PolarHBondContact O-N 3.14Å; Y109-R111 PolarHBondContact O-N 2.67Å
112	T	93	Very high	93.4	Very high	62 Å²	62	66.2 Å²	66.2	38%	0.38	34%	0.337	S	S	.	.	S	Bend	trans	-83.8	143.4	-176.4	-52.3	0	0	0	0	110.7	R108 Y109 V110 S114 F115	R108-T112 PolarHBondContact O-N 2.82Å; R108-T112 PolarHBondContact O-OG1 3.49Å; Y109-T112 WeakPolarHBondContact O-CB 3.33Å; Y109-T112 PolarHBondContact O-N 3.43Å; V110-T112 VanDerWaalsContact C-N 3.32Å; T112-S114 WeakPolarHBondContact CB-OG 3.37Å; T112-S114 WeakPolarHBondContact CG2-OG 3.21Å; T112-S114 PolarHBondContact O-N 2.99Å; T112-S114 VanDerWaalsContact O-N 3.12Å; T112-F115 PolarHBondContact O-N 3.01Å
113	W	92.9	Very high	93.6	Very high	179 Å²	179	65.6 Å²	65.6	68%	0.678	34%	0.341	S	S	*	.	H	α-helix	trans	-56.4	-28.3	175.5	-171.8	-105.7	0	0	0	113.4	F115 L116 L117	W113-F115 VanDerWaalsContact C-N 3.3Å; W113-F115 PolarHBondContact O-N 3.5Å; W113-L116 HydrophobicContact CD2-CD2 4.34Å; W113-L116 HydrophobicContact CE3-CD2 3.75Å; W113-L116 HydrophobicContact CH2-CD2 3.53Å; W113-L116 HydrophobicContact CZ2-CD2 4.13Å; W113-L116 HydrophobicContact CZ3-CD2 3.33Å; W113-L116 PolarHBondContact O-N 3.3Å; W113-L117 PolarHBondContact O-N 3.11Å; W113-L117 VanDerWaalsContact O-N 3.14Å
114	S	91.2	Very high	93.4	Very high	33 Å²	33	67.7 Å²	67.7	23%	0.231	35%	0.346	C	S	.	.	H	α-helix	trans	-58.7	-38.8	175.2	55.5	0	0	0	0	112.8	T112 L116 L117 D118	T112-S114 WeakPolarHBondContact CB-OG 3.37Å; T112-S114 WeakPolarHBondContact CG2-OG 3.21Å; T112-S114 PolarHBondContact O-N 2.99Å; T112-S114 VanDerWaalsContact O-N 3.12Å; S114-L116 VanDerWaalsContact C-N 3.35Å; S114-L116 PolarHBondContact O-N 2.97Å; S114-L117 PolarHBondContact O-N 3.04Å; S114-D118 WeakPolarHBondContact O-CB 3.45Å; S114-D118 PolarHBondContact O-N 3.15Å
115	F	93.9	Very high	93.3	Very high	46 Å²	46	65.7 Å²	65.7	20%	0.202	34%	0.338	C	S	.	.	H	α-helix	trans	-65.8	-38.4	177.7	177.1	-108	0	0	0	112	F88 Y109 V110 T112 W113 D118 L119	F88-F115 HydrophobicContact CE2-CE2 4.14Å; F88-F115 HydrophobicContact CZ-CD2 4.41Å; F88-F115 AromaticContact CZ-CE2 3.84Å; F88-F115 HydrophobicContact CZ-CE2 3.84Å; Y109-F115 HydrophobicContact CD1-CD2 4.02Å; Y109-F115 HydrophobicContact CD2-CB 4.14Å; Y109-F115 AromaticContact CE1-CD2 3.5Å; Y109-F115 HydrophobicContact CE1-CD2 3.5Å; Y109-F115 HydrophobicContact CE1-CE2 4.16Å; Y109-F115 HydrophobicContact CE1-CG 4.44Å; Y109-F115 HydrophobicContact CE2-CB 3.9Å; Y109-F115 HydrophobicContact CE2-CD2 4.27Å; Y109-F115 AromaticContact CZ-CD2 3.64Å; Y109-F115 VanDerWaalsContact O-CB 3.22Å; Y109-F115 WeakPolarHBondContact O-CB 3.46Å; V110-F115 HydrophobicContact CB-CD1 4.27Å; V110-F115 HydrophobicContact CB-CE1 4.39Å; V110-F115 HydrophobicContact CG1-CD1 4.12Å; V110-F115 HydrophobicContact CG1-CE1 3.98Å; V110-F115 HydrophobicContact CG2-CD1 4.36Å; V110-F115 HydrophobicContact CG2-CE1 4.18Å; V110-F115 HydrophobicContact CG2-CE2 4.41Å; V110-F115 HydrophobicContact CG2-CZ 4.2Å; T112-F115 PolarHBondContact O-N 3.01Å; W113-F115 VanDerWaalsContact C-N 3.3Å; W113-F115 PolarHBondContact O-N 3.5Å; F115-D118 PolarHBondContact O-N 3.46Å; F115-L119 PolarHBondContact O-N 3.09Å
116	L	94.5	Very high	93	Very high	83 Å²	83	66 Å²	66	44%	0.435	34%	0.34	S	S	.	.	H	α-helix	trans	-63	-44.4	175.4	-179.1	65	0	0	0	111.4	W113 S114 D118 L119 A120	W113-L116 HydrophobicContact CD2-CD2 4.34Å; W113-L116 HydrophobicContact CE3-CD2 3.75Å; W113-L116 HydrophobicContact CH2-CD2 3.53Å; W113-L116 HydrophobicContact CZ2-CD2 4.13Å; W113-L116 HydrophobicContact CZ3-CD2 3.33Å; W113-L116 PolarHBondContact O-N 3.3Å; S114-L116 VanDerWaalsContact C-N 3.35Å; S114-L116 PolarHBondContact O-N 2.97Å; L116-D118 VanDerWaalsContact C-N 3.32Å; L116-D118 PolarHBondContact O-N 3.11Å; L116-L119 PolarHBondContact O-N 3.21Å; L116-A120 WeakPolarHBondContact O-CB 3.43Å; L116-A120 PolarHBondContact O-N 2.88Å
117	L	95	Very high	92.7	Very high	37 Å²	37	67.7 Å²	67.7	19%	0.194	35%	0.354	C	S	.	.	H	α-helix	trans	-62.6	-40.7	175.4	-65.7	177.4	0	0	0	111.6	W113 S114 A120 S121 L145 P148	W113-L117 PolarHBondContact O-N 3.11Å; W113-L117 VanDerWaalsContact O-N 3.14Å; S114-L117 PolarHBondContact O-N 3.04Å; L117-A120 PolarHBondContact O-N 3.37Å; L117-S121 VanDerWaalsContact O-CB 3.31Å; L117-S121 WeakPolarHBondContact O-CB 3.35Å; L117-S121 PolarHBondContact O-N 3.26Å; L117-S121 PolarHBondContact O-OG 2.65Å; L117-L145 HydrophobicContact CD2-CB 4.4Å; L117-L145 HydrophobicContact CD2-CD2 4.17Å; L117-P148 HydrophobicContact CD1-CG 4.27Å
118	D	94.8	Very high	92.5	Very high	5 Å²	5	65.3 Å²	65.3	3%	0.027	34%	0.34	C	S	.	.	H	α-helix	trans	-63.4	-43.2	178.7	-67.1	-22.6	0	0	0	111.4	I84 R87 Y109 S114 F115 L116 S121 R146	I84-D118 HydrophobicContact CD1-CB 4.03Å; I84-D118 HydrophobicContact CG1-CB 3.98Å; R87-D118 IonicContact CZ-OD2 3.16Å; R87-D118 VanDerWaalsContact NH1-CG 3.3Å; R87-D118 IonicContact NH1-OD1 3.61Å; R87-D118 PolarHBondContact NH1-OD1 2.89Å; R87-D118 VanDerWaalsContact NH1-OD1 3.13Å; R87-D118 IonicContact NH1-OD2 3.12Å; R87-D118 PolarHBondContact NH1-OD2 3.46Å; Y109-D118 PolarHBondContact OH-OD2 3.37Å; S114-D118 WeakPolarHBondContact O-CB 3.45Å; S114-D118 PolarHBondContact O-N 3.15Å; F115-D118 PolarHBondContact O-N 3.46Å; L116-D118 VanDerWaalsContact C-N 3.32Å; L116-D118 PolarHBondContact O-N 3.11Å; D118-S121 PolarHBondContact O-OG 3.39Å; D118-R146 WeakPolarHBondContact OD1-CD 3.34Å; D118-R146 IonicContact OD1-CZ 3.53Å; D118-R146 IonicContact OD1-NE 3.82Å; D118-R146 PolarHBondContact OD1-NE 3.15Å; D118-R146 IonicContact OD1-NH1 3.52Å; D118-R146 PolarHBondContact OD1-NH1 3.44Å; D118-R146 IonicContact OD2-NH1 2.84Å
119	L	94.8	Very high	92.3	Very high	98 Å²	98	60.2 Å²	60.2	51%	0.513	32%	0.321	S	S	.	.	H	α-helix	trans	-68.7	-46.2	176.2	-175.3	62.4	0	0	0	111.9	F115 L116 S121 L122 V123	F115-L119 PolarHBondContact O-N 3.09Å; L116-L119 PolarHBondContact O-N 3.21Å; L119-S121 PolarHBondContact O-N 2.72Å; L119-L122 PolarHBondContact O-N 3.49Å; L119-L122 VanDerWaalsContact O-N 3.09Å; L119-V123 PolarHBondContact O-N 3.32Å
120	A	95.1	Very high	92	Very high	30 Å²	30	66 Å²	66	25%	0.248	36%	0.358	C	S	.	.	H	α-helix	trans	-60	-34.9	178.6	0	0	0	0	0	112.1	L116 L117 L122 V123 N142 L145	L116-A120 WeakPolarHBondContact O-CB 3.43Å; L116-A120 PolarHBondContact O-N 2.88Å; L117-A120 PolarHBondContact O-N 3.37Å; A120-L122 VanDerWaalsContact C-N 3.25Å; A120-L122 PolarHBondContact O-N 3.06Å; A120-V123 WeakPolarHBondContact O-CG2 3.41Å; A120-V123 PolarHBondContact O-N 3.23Å; A120-N142 PolarHBondContact O-ND2 3.19Å; A120-N142 VanDerWaalsContact O-ND2 3.15Å; A120-L145 HydrophobicContact CB-CD1 3.49Å; A120-L145 VanDerWaalsContact CB-CD1 3.49Å
121	S	94.5	Very high	91.8	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-67.2	-23.2	177.3	75.6	0	0	0	0	114.6	L117 D118 L119 N142 R143 R146	L117-S121 VanDerWaalsContact O-CB 3.31Å; L117-S121 WeakPolarHBondContact O-CB 3.35Å; L117-S121 PolarHBondContact O-N 3.26Å; L117-S121 PolarHBondContact O-OG 2.65Å; D118-S121 PolarHBondContact O-OG 3.39Å; L119-S121 PolarHBondContact O-N 2.72Å; S121-N142 WeakPolarHBondContact CA-O 3.33Å; S121-N142 PolarHBondContact O-ND2 2.85Å; S121-R143 VanDerWaalsContact O-CD 3.28Å; S121-R143 WeakPolarHBondContact O-CD 3.35Å; S121-R143 PolarHBondContact O-NE 3.22Å; S121-R146 WeakPolarHBondContact OG-CG 3.36Å; S121-R146 PolarHBondContact OG-NE 2.96Å
122	L	93.4	Very high	91.5	Very high	30 Å²	30	67.2 Å²	67.2	16%	0.157	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	4.1	-177.8	-78.2	170.3	0	0	0	113.3	D77 Y80 L81 I84 L119 A120 P124	D77-L122 HydrophobicContact CB-CD2 4.13Å; Y80-L122 HydrophobicContact CD2-CD2 4.45Å; L81-L122 HydrophobicContact CD2-CD1 3.64Å; L81-L122 HydrophobicContact CG-CD1 3.88Å; L81-L122 HydrophobicContact CG-CD2 4.17Å; I84-L122 HydrophobicContact CD1-CD1 3.48Å; I84-L122 VanDerWaalsContact CD1-CD1 3.48Å; L119-L122 PolarHBondContact O-N 3.49Å; L119-L122 VanDerWaalsContact O-N 3.09Å; A120-L122 VanDerWaalsContact C-N 3.25Å; A120-L122 PolarHBondContact O-N 3.06Å; L122-P124 WeakPolarHBondContact O-CD 3.29Å
123	V	93.3	Very high	91.2	Very high	72 Å²	72	65.4 Å²	65.4	44%	0.436	36%	0.355	S	S	.	.			trans	-55	124.6	171.4	174.5	0	0	0	0	108.1	L119 A120 T125 N142 R143	L119-V123 PolarHBondContact O-N 3.32Å; A120-V123 WeakPolarHBondContact O-CG2 3.41Å; A120-V123 PolarHBondContact O-N 3.23Å; V123-T125 HydrophobicContact CG1-CG2 4.09Å; V123-T125 PolarHBondContact O-N 3.12Å; V123-N142 PolarHBondContact O-ND2 3.35Å; V123-R143 PolarHBondContact O-NH1 3.01Å
124	P	87.8	Confident	90.9	Very high	91 Å²	91	58.9 Å²	58.9	59%	0.591	34%	0.336	S	S	*	.			trans	-78	62.1	-172.5	33.1	-37.4	0	0	0	111.1	L122 D126 A127	L122-P124 WeakPolarHBondContact O-CD 3.29Å; P124-D126 PolarHBondContact O-N 3.45Å; P124-D126 VanDerWaalsContact O-N 3.15Å; P124-A127 VanDerWaalsContact O-CB 3.26Å; P124-A127 WeakPolarHBondContact O-CB 3.49Å; P124-A127 PolarHBondContact O-N 3.39Å
125	T	89.1	Confident	90.8	Very high	43 Å²	43	61.3 Å²	61.3	26%	0.264	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-58.1	-23.9	175.4	50.4	0	0	0	0	112.3	V123 A127 A128 L139 N142 R143	V123-T125 HydrophobicContact CG1-CG2 4.09Å; V123-T125 PolarHBondContact O-N 3.12Å; T125-A127 PolarHBondContact O-N 3.43Å; T125-A128 WeakPolarHBondContact O-CB 3.22Å; T125-A128 PolarHBondContact O-N 3.49Å; T125-A128 VanDerWaalsContact O-N 3.15Å; T125-L139 VanDerWaalsContact CB-O 3.22Å; T125-L139 WeakPolarHBondContact CB-O 3.26Å; T125-L139 PolarHBondContact OG1-O 2.94Å; T125-N142 PolarHBondContact OG1-OD1 2.84Å; T125-R143 PolarHBondContact OG1-NH1 3.11Å
126	D	85.4	Confident	90.6	Very high	11 Å²	11	61.9 Å²	61.9	6%	0.059	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-62.6	-19.3	173.2	-54.4	-76.9	0	0	0	113.8	P124 A128 Y129 R140 R143	P124-D126 PolarHBondContact O-N 3.45Å; P124-D126 VanDerWaalsContact O-N 3.15Å; D126-A128 PolarHBondContact O-N 3.1Å; D126-A128 VanDerWaalsContact O-N 3.08Å; D126-Y129 HydrophobicContact CB-CD2 3.7Å; D126-Y129 HydrophobicContact CB-CE2 3.53Å; D126-Y129 WeakPolarHBondContact O-CB 3.3Å; D126-Y129 WeakPolarHBondContact O-CD2 3.45Å; D126-Y129 VanDerWaalsContact O-CG 3.24Å; D126-Y129 PolarHBondContact O-N 3Å; D126-Y129 WeakPolarHBondContact OD1-CE2 3.28Å; D126-Y129 PolarHBondContact OD1-OH 2.99Å; D126-Y129 VanDerWaalsContact OD1-OH 3.12Å; D126-R140 VanDerWaalsContact OD1-CD 3.24Å; D126-R140 WeakPolarHBondContact OD1-CD 3.2Å; D126-R140 WeakPolarHBondContact OD1-CG 3.49Å; D126-R140 IonicContact OD1-CZ 3.63Å; D126-R140 IonicContact OD1-NE 3.15Å; D126-R140 IonicContact OD1-NH1 2.99Å; D126-R140 PolarHBondContact OD1-NH1 3.4Å; D126-R140 IonicContact OD2-CZ 3.98Å; D126-R140 IonicContact OD2-NH1 3.31Å; D126-R140 PolarHBondContact OD2-NH1 3.24Å; D126-R143 IonicContact OD2-CZ 3.8Å; D126-R143 VanDerWaalsContact OD2-CZ 3.29Å; D126-R143 IonicContact OD2-NH1 2.81Å; D126-R143 PolarHBondContact OD2-NH1 3.27Å; D126-R143 IonicContact OD2-NH2 2.7Å; D126-R143 PolarHBondContact OD2-NH2 2.97Å
127	A	87.2	Confident	90.4	Very high	68 Å²	68	58.1 Å²	58.1	56%	0.562	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-56.8	-25.8	173.3	0	0	0	0	0	111.6	P124 T125 Y129 V130	P124-A127 VanDerWaalsContact O-CB 3.26Å; P124-A127 WeakPolarHBondContact O-CB 3.49Å; P124-A127 PolarHBondContact O-N 3.39Å; T125-A127 PolarHBondContact O-N 3.43Å; A127-Y129 PolarHBondContact O-N 3.4Å; A127-V130 PolarHBondContact O-N 3.04Å
128	A	90.2	Very high	90.2	Very high	36 Å²	36	59.6 Å²	59.6	30%	0.298	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-67.9	-14.1	174.2	0	0	0	0	0	113.8	T125 D126 V130 R131 L132 L139	T125-A128 WeakPolarHBondContact O-CB 3.22Å; T125-A128 PolarHBondContact O-N 3.49Å; T125-A128 VanDerWaalsContact O-N 3.15Å; D126-A128 PolarHBondContact O-N 3.1Å; D126-A128 VanDerWaalsContact O-N 3.08Å; A128-V130 PolarHBondContact O-N 2.99Å; A128-R131 PolarHBondContact O-N 2.95Å; A128-L132 HydrophobicContact CB-CD1 4.02Å; A128-L132 WeakPolarHBondContact O-CB 3.45Å; A128-L132 PolarHBondContact O-N 3.08Å; A128-L139 HydrophobicContact CB-CD1 3.95Å
129	Y	88.4	Confident	90	Very high	20 Å²	20	61.3 Å²	61.3	8%	0.078	35%	0.348	C	S	.	.	H	α-helix	trans	-58.7	-28.1	172	-68.6	-35.5	0	0	0	113	F70 D126 A127 R131 G133 I136 L139	F70-Y129 HydrophobicContact CE1-CD2 4.08Å; F70-Y129 AromaticContact CE1-CE2 3.99Å; F70-Y129 HydrophobicContact CE1-CE2 3.99Å; D126-Y129 HydrophobicContact CB-CD2 3.7Å; D126-Y129 HydrophobicContact CB-CE2 3.53Å; D126-Y129 WeakPolarHBondContact O-CB 3.3Å; D126-Y129 WeakPolarHBondContact O-CD2 3.45Å; D126-Y129 VanDerWaalsContact O-CG 3.24Å; D126-Y129 PolarHBondContact O-N 3Å; D126-Y129 WeakPolarHBondContact OD1-CE2 3.28Å; D126-Y129 PolarHBondContact OD1-OH 2.99Å; D126-Y129 VanDerWaalsContact OD1-OH 3.12Å; A127-Y129 PolarHBondContact O-N 3.4Å; Y129-R131 PolarHBondContact O-N 3.28Å; Y129-G133 VanDerWaalsContact CD1-O 3.25Å; Y129-G133 WeakPolarHBondContact CD1-O 3.26Å; Y129-G133 CarbonylContact O-C 3.53Å; Y129-G133 WeakPolarHBondContact O-CA 3.48Å; Y129-G133 PolarHBondContact O-N 3.35Å; Y129-I136 WeakPolarHBondContact CE1-O 3.35Å; Y129-L139 HydrophobicContact CD1-CD1 3.79Å; Y129-L139 HydrophobicContact CE1-CB 4.39Å; Y129-L139 HydrophobicContact CE1-CD1 3.72Å
130	V	87.8	Confident	89.9	Confident	139 Å²	139	56.7 Å²	56.7	84%	0.842	32%	0.323	S	S	*	.	H	α-helix	trans	-62.4	-32.4	176.8	-179.5	0	0	0	0	111.3	A127 A128	A127-V130 PolarHBondContact O-N 3.04Å; A128-V130 PolarHBondContact O-N 2.99Å
131	R	90.5	Very high	89.8	Confident	227 Å²	227	58.9 Å²	58.9	86%	0.857	33%	0.331	S	S	*	.	H	α-helix	trans	-100.6	-38.2	-178.1	-169.6	176.1	-178.5	86.9	0.4	113.2	A128 Y129	A128-R131 PolarHBondContact O-N 2.95Å; Y129-R131 PolarHBondContact O-N 3.28Å
132	L	88.9	Confident	89.8	Confident	102 Å²	102	60.3 Å²	60.3	53%	0.534	34%	0.338	S	S	.	.	H	α-helix	trans	-97.5	-10	-173.2	-58.6	172.4	0	0	0	113.3	A128 I136 L139	A128-L132 HydrophobicContact CB-CD1 4.02Å; A128-L132 WeakPolarHBondContact O-CB 3.45Å; A128-L132 PolarHBondContact O-N 3.08Å; L132-I136 HydrophobicContact CB-CD1 3.72Å; L132-I136 WeakPolarHBondContact O-CD1 3.4Å; L132-L139 HydrophobicContact CD1-CD1 4.26Å; L132-L139 HydrophobicContact CD1-CD2 4.48Å
133	G	87.4	Confident	89.8	Confident	24 Å²	24	59.1 Å²	59.1	25%	0.247	33%	0.332	C	S	.	.			trans	90.5	157.1	-176.5	0	0	0	0	0	113.3	Y129 H135	Y129-G133 VanDerWaalsContact CD1-O 3.25Å; Y129-G133 WeakPolarHBondContact CD1-O 3.26Å; Y129-G133 CarbonylContact O-C 3.53Å; Y129-G133 WeakPolarHBondContact O-CA 3.48Å; Y129-G133 PolarHBondContact O-N 3.35Å; G133-H135 PolarHBondContact O-N 3.44Å; G133-H135 VanDerWaalsContact O-N 3.16Å
134	P	86.6	Confident	89.8	Confident	42 Å²	42	57.5 Å²	57.5	27%	0.273	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	5.7	-172.4	33.8	-37.9	0	0	0	114.3	Q62 L66 F70	Q62-P134 PolarHBondContact NE2-O 3.29Å; L66-P134 HydrophobicContact CD1-CB 4.29Å; L66-P134 HydrophobicContact CD2-CB 4.32Å; L66-P134 HydrophobicContact CD2-CG 4.18Å; F70-P134 HydrophobicContact CE2-CB 4.27Å; F70-P134 HydrophobicContact CZ-CB 3.78Å
135	H	88.7	Confident	90.2	Very high	83 Å²	83	56.5 Å²	56.5	38%	0.384	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	21.9	-171.4	-58.3	-58.5	0	0	0	113.4	H63 G133 P137	H63-H135 AromaticContact CE1-CD2 3.57Å; H63-H135 AromaticContact CE1-CE1 3.78Å; H63-H135 AromaticContact CE1-CG 3.24Å; H63-H135 AromaticContact CE1-ND1 3.4Å; H63-H135 PolarHBondContact CE1-ND1 3.48Å; H63-H135 AromaticContact CE1-NE2 3.89Å; H63-H135 AromaticContact ND1-CD2 3.77Å; H63-H135 AromaticContact ND1-CE1 3.2Å; H63-H135 PolarHBondContact ND1-CE1 3.39Å; H63-H135 AromaticContact ND1-CG 3.46Å; H63-H135 AromaticContact ND1-ND1 3.09Å; H63-H135 PolarHBondContact ND1-ND1 3.49Å; H63-H135 AromaticContact ND1-NE2 3.62Å; G133-H135 PolarHBondContact O-N 3.44Å; G133-H135 VanDerWaalsContact O-N 3.16Å; H135-P137 VanDerWaalsContact C-CD 3.49Å; H135-P137 VanDerWaalsContact O-CD 3.31Å; H135-P137 WeakPolarHBondContact O-CD 3.42Å
136	I	89.6	Confident	90.5	Very high	58 Å²	58	54.5 Å²	54.5	30%	0.297	30%	0.296	S	S	.	.			trans	-119.8	75.3	-177.6	-49.9	-176.1	0	0	0	111	Y129 L132 T138 L139	Y129-I136 WeakPolarHBondContact CE1-O 3.35Å; L132-I136 HydrophobicContact CB-CD1 3.72Å; L132-I136 WeakPolarHBondContact O-CD1 3.4Å; I136-T138 VanDerWaalsContact CG2-OG1 3.27Å; I136-T138 WeakPolarHBondContact CG2-OG1 3.23Å; I136-T138 PolarHBondContact O-N 3.13Å; I136-L139 HydrophobicContact CB-CD1 4.41Å; I136-L139 HydrophobicContact CG2-CD1 4.49Å; I136-L139 HydrophobicContact CG2-CG 4.21Å; I136-L139 PolarHBondContact O-N 3.38Å
137	P	89.7	Confident	90.9	Very high	5 Å²	5	55.5 Å²	55.5	3%	0.032	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-60.4	-20.4	-176.7	-23.6	34.9	0	0	0	114.5	R55 Q62 H135 L139 R140	R55-P137 HydrophobicContact CB-CB 4Å; R55-P137 HydrophobicContact CB-CG 3.81Å; Q62-P137 HydrophobicContact CB-CG 4.21Å; Q62-P137 HydrophobicContact CG-CG 3.8Å; H135-P137 VanDerWaalsContact C-CD 3.49Å; H135-P137 VanDerWaalsContact O-CD 3.31Å; H135-P137 WeakPolarHBondContact O-CD 3.42Å; P137-L139 PolarHBondContact O-N 3.34Å; P137-L139 VanDerWaalsContact O-N 3.12Å; P137-R140 WeakPolarHBondContact O-CB 3.46Å; P137-R140 PolarHBondContact O-N 3.16Å
138	T	90.8	Very high	91.3	Very high	67 Å²	67	55.4 Å²	55.4	41%	0.411	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-61.5	-19.5	-179.3	54.3	0	0	0	0	113.6	A56 I136 R140 L141	A56-T138 HydrophobicContact CB-CG2 3.62Å; I136-T138 VanDerWaalsContact CG2-OG1 3.27Å; I136-T138 WeakPolarHBondContact CG2-OG1 3.23Å; I136-T138 PolarHBondContact O-N 3.13Å; T138-R140 PolarHBondContact O-N 3.1Å; T138-L141 WeakPolarHBondContact O-CB 3.42Å; T138-L141 WeakPolarHBondContact O-CD1 3.47Å; T138-L141 WeakPolarHBondContact O-CG 3.28Å; T138-L141 PolarHBondContact O-N 3.29Å
139	L	91.3	Very high	91.4	Very high	41 Å²	41	53.9 Å²	53.9	22%	0.215	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-62.8	-20.9	173.2	-66.4	173	0	0	0	112.4	T125 A128 Y129 L132 I136 P137 N142	T125-L139 VanDerWaalsContact CB-O 3.22Å; T125-L139 WeakPolarHBondContact CB-O 3.26Å; T125-L139 PolarHBondContact OG1-O 2.94Å; A128-L139 HydrophobicContact CB-CD1 3.95Å; Y129-L139 HydrophobicContact CD1-CD1 3.79Å; Y129-L139 HydrophobicContact CE1-CB 4.39Å; Y129-L139 HydrophobicContact CE1-CD1 3.72Å; L132-L139 HydrophobicContact CD1-CD1 4.26Å; L132-L139 HydrophobicContact CD1-CD2 4.48Å; I136-L139 HydrophobicContact CB-CD1 4.41Å; I136-L139 HydrophobicContact CG2-CD1 4.49Å; I136-L139 HydrophobicContact CG2-CG 4.21Å; I136-L139 PolarHBondContact O-N 3.38Å; P137-L139 PolarHBondContact O-N 3.34Å; P137-L139 VanDerWaalsContact O-N 3.12Å; L139-N142 PolarHBondContact O-OD1 2.9Å
140	R	93	Very high	91.7	Very high	1 Å²	1	53.1 Å²	53.1	0%	0.004	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-87.9	4.3	179.6	-64	-175.5	70.7	79.2	2.4	114.7	V52 D73 D77 D126 P137 T138 N142 R143	V52-R140 HydrophobicContact CG1-CB 4.18Å; V52-R140 HydrophobicContact CG2-CB 4.49Å; D73-R140 VanDerWaalsContact CB-CZ 3.48Å; D73-R140 PolarHBondContact O-NH2 3.1Å; D73-R140 VanDerWaalsContact O-NH2 3.17Å; D73-R140 IonicContact OD1-CZ 2.73Å; D73-R140 IonicContact OD1-NE 3.75Å; D73-R140 PolarHBondContact OD1-NE 3.47Å; D73-R140 VanDerWaalsContact OD1-NE 3.15Å; D73-R140 IonicContact OD1-NH2 3.43Å; D73-R140 IonicContact OD2-NE 2.83Å; D77-R140 IonicContact OD1-NH2 3.86Å; D77-R140 PolarHBondContact OD1-NH2 2.9Å; D77-R140 VanDerWaalsContact OD1-NH2 3.16Å; D77-R140 IonicContact OD2-CZ 3.81Å; D77-R140 IonicContact OD2-NH1 3.24Å; D77-R140 PolarHBondContact OD2-NH1 3.31Å; D77-R140 IonicContact OD2-NH2 2.73Å; D77-R140 PolarHBondContact OD2-NH2 2.61Å; D126-R140 VanDerWaalsContact OD1-CD 3.24Å; D126-R140 WeakPolarHBondContact OD1-CD 3.2Å; D126-R140 WeakPolarHBondContact OD1-CG 3.49Å; D126-R140 IonicContact OD1-CZ 3.63Å; D126-R140 IonicContact OD1-NE 3.15Å; D126-R140 IonicContact OD1-NH1 2.99Å; D126-R140 PolarHBondContact OD1-NH1 3.4Å; D126-R140 IonicContact OD2-CZ 3.98Å; D126-R140 IonicContact OD2-NH1 3.31Å; D126-R140 PolarHBondContact OD2-NH1 3.24Å; P137-R140 WeakPolarHBondContact O-CB 3.46Å; P137-R140 PolarHBondContact O-N 3.16Å; T138-R140 PolarHBondContact O-N 3.1Å; R140-N142 PolarHBondContact O-N 3.39Å; R140-N142 VanDerWaalsContact O-N 3.1Å; R140-N142 PolarHBondContact O-OD1 3.43Å; R140-R143 WeakPolarHBondContact O-CB 3.29Å; R140-R143 WeakPolarHBondContact O-CD 3.45Å; R140-R143 PolarHBondContact O-N 2.77Å
141	L	92.1	Very high	92.1	Very high	77 Å²	77	51 Å²	51	40%	0.403	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-60.6	-22.5	-178.6	-71.4	173.8	0	0	0	113.8	V52 T138 R143 F144	V52-L141 HydrophobicContact CG1-CD2 4.38Å; T138-L141 WeakPolarHBondContact O-CB 3.42Å; T138-L141 WeakPolarHBondContact O-CD1 3.47Å; T138-L141 WeakPolarHBondContact O-CG 3.28Å; T138-L141 PolarHBondContact O-N 3.29Å; L141-R143 PolarHBondContact O-N 2.76Å; L141-R143 VanDerWaalsContact O-N 3.12Å; L141-F144 HydrophobicContact CD2-CD2 4.15Å; L141-F144 HydrophobicContact CD2-CE1 4.28Å; L141-F144 HydrophobicContact CD2-CE2 3.39Å; L141-F144 HydrophobicContact CD2-CZ 3.46Å; L141-F144 VanDerWaalsContact CD2-CZ 3.46Å; L141-F144 WeakPolarHBondContact O-CB 3.5Å; L141-F144 WeakPolarHBondContact O-CG 3.48Å; L141-F144 PolarHBondContact O-N 3.45Å; L141-F144 VanDerWaalsContact O-N 3.09Å
142	N	93.9	Very high	92.3	Very high	29 Å²	29	42.5 Å²	42.5	16%	0.155	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-59.8	-20.6	173	65.5	-41.9	0	0	0	113.3	A120 S121 V123 T125 L139 R140 F144 L145	A120-N142 PolarHBondContact O-ND2 3.19Å; A120-N142 VanDerWaalsContact O-ND2 3.15Å; S121-N142 WeakPolarHBondContact CA-O 3.33Å; S121-N142 PolarHBondContact O-ND2 2.85Å; V123-N142 PolarHBondContact O-ND2 3.35Å; T125-N142 PolarHBondContact OG1-OD1 2.84Å; L139-N142 PolarHBondContact O-OD1 2.9Å; R140-N142 PolarHBondContact O-N 3.39Å; R140-N142 VanDerWaalsContact O-N 3.1Å; R140-N142 PolarHBondContact O-OD1 3.43Å; N142-F144 PolarHBondContact O-N 3.18Å; N142-L145 WeakPolarHBondContact O-CB 3.33Å; N142-L145 VanDerWaalsContact O-CG 3.26Å; N142-L145 WeakPolarHBondContact O-CG 3.23Å; N142-L145 PolarHBondContact O-N 2.95Å
143	R	94.5	Very high	92.6	Very high	5 Å²	5	37.7 Å²	37.7	2%	0.019	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-67.5	-14.4	176.4	-80.1	61.7	179.9	-166.2	-4.2	112.9	N48 D77 Y80 S121 V123 T125 D126 R140 L141 L145 R146	N48-R143 HydrophobicContact CB-CB 4.19Å; D77-R143 IonicContact OD1-CZ 3.51Å; D77-R143 IonicContact OD1-NE 3.83Å; D77-R143 PolarHBondContact OD1-NE 3.43Å; D77-R143 VanDerWaalsContact OD1-NE 3.12Å; D77-R143 IonicContact OD1-NH2 3.95Å; D77-R143 IonicContact OD2-CZ 3.93Å; D77-R143 IonicContact OD2-NE 3.92Å; D77-R143 IonicContact OD2-NH2 2.7Å; D77-R143 PolarHBondContact OD2-NH2 2.91Å; D77-R143 VanDerWaalsContact OD2-NH2 3.12Å; Y80-R143 HydrophobicContact CE2-CB 4.14Å; Y80-R143 HydrophobicContact CE2-CG 4.02Å; S121-R143 VanDerWaalsContact O-CD 3.28Å; S121-R143 WeakPolarHBondContact O-CD 3.35Å; S121-R143 PolarHBondContact O-NE 3.22Å; V123-R143 PolarHBondContact O-NH1 3.01Å; T125-R143 PolarHBondContact OG1-NH1 3.11Å; D126-R143 IonicContact OD2-CZ 3.8Å; D126-R143 VanDerWaalsContact OD2-CZ 3.29Å; D126-R143 IonicContact OD2-NH1 2.81Å; D126-R143 PolarHBondContact OD2-NH1 3.27Å; D126-R143 IonicContact OD2-NH2 2.7Å; D126-R143 PolarHBondContact OD2-NH2 2.97Å; R140-R143 WeakPolarHBondContact O-CB 3.29Å; R140-R143 WeakPolarHBondContact O-CD 3.45Å; R140-R143 PolarHBondContact O-N 2.77Å; L141-R143 PolarHBondContact O-N 2.76Å; L141-R143 VanDerWaalsContact O-N 3.12Å; R143-L145 PolarHBondContact O-N 3.24Å; R143-R146 PolarHBondContact O-N 3.24Å
144	F	93.6	Very high	93	Very high	39 Å²	39	37.3 Å²	37.3	17%	0.171	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-70.7	-16.8	176.3	-65.3	2.3	0	0	0	112.6	N48 V52 V53 L141 N142 R146 V147 W182	N48-F144 VanDerWaalsContact O-CE1 3.26Å; N48-F144 WeakPolarHBondContact O-CE1 3.49Å; V52-F144 HydrophobicContact CB-CE1 4.24Å; V52-F144 HydrophobicContact CB-CZ 4.47Å; V52-F144 HydrophobicContact CG1-CE1 4.49Å; V53-F144 HydrophobicContact CG2-CE2 3.99Å; V53-F144 HydrophobicContact CG2-CZ 3.57Å; L141-F144 HydrophobicContact CD2-CD2 4.15Å; L141-F144 HydrophobicContact CD2-CE1 4.28Å; L141-F144 HydrophobicContact CD2-CE2 3.39Å; L141-F144 HydrophobicContact CD2-CZ 3.46Å; L141-F144 VanDerWaalsContact CD2-CZ 3.46Å; L141-F144 WeakPolarHBondContact O-CB 3.5Å; L141-F144 WeakPolarHBondContact O-CG 3.48Å; L141-F144 PolarHBondContact O-N 3.45Å; L141-F144 VanDerWaalsContact O-N 3.09Å; N142-F144 PolarHBondContact O-N 3.18Å; F144-R146 PolarHBondContact O-N 2.79Å; F144-V147 WeakPolarHBondContact O-CB 3.27Å; F144-V147 WeakPolarHBondContact O-CG2 3.08Å; F144-V147 PolarHBondContact O-N 2.86Å; F144-W182 AromaticContact CD2-CH2 3.74Å; F144-W182 HydrophobicContact CD2-CH2 3.74Å; F144-W182 HydrophobicContact CD2-CZ2 4.12Å; F144-W182 AromaticContact CE2-CH2 3.33Å; F144-W182 HydrophobicContact CE2-CH2 3.33Å; F144-W182 AromaticContact CE2-CZ2 3.51Å; F144-W182 HydrophobicContact CE2-CZ2 3.51Å; F144-W182 HydrophobicContact CE2-CZ3 4.43Å; F144-W182 HydrophobicContact CZ-CH2 4.24Å; F144-W182 AromaticContact CZ-CZ2 3.98Å; F144-W182 HydrophobicContact CZ-CZ2 3.98Å
145	L	95	Very high	93.3	Very high	69 Å²	69	39.8 Å²	39.8	36%	0.361	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-62.6	-10.8	175.7	-60.4	175.5	0	0	0	112.9	L117 A120 N142 R143 P148	L117-L145 HydrophobicContact CD2-CB 4.4Å; L117-L145 HydrophobicContact CD2-CD2 4.17Å; A120-L145 HydrophobicContact CB-CD1 3.49Å; A120-L145 VanDerWaalsContact CB-CD1 3.49Å; N142-L145 WeakPolarHBondContact O-CB 3.33Å; N142-L145 VanDerWaalsContact O-CG 3.26Å; N142-L145 WeakPolarHBondContact O-CG 3.23Å; N142-L145 PolarHBondContact O-N 2.95Å; R143-L145 PolarHBondContact O-N 3.24Å; L145-P148 WeakPolarHBondContact O-CD 3.48Å
146	R	95.1	Very high	93.4	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.008	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-86.8	-0.8	174.2	-68.6	-63.5	-166.3	137.4	13.6	115.5	V45 Y80 D83 D118 S121 R143 F144 P148 R149	V45-R146 HydrophobicContact CG2-CB 4.11Å; Y80-R146 HydrophobicContact CD1-CG 4.29Å; Y80-R146 HydrophobicContact CD2-CG 3.86Å; Y80-R146 HydrophobicContact CE1-CB 4.12Å; Y80-R146 HydrophobicContact CE1-CG 4.03Å; Y80-R146 HydrophobicContact CE2-CB 4.08Å; Y80-R146 HydrophobicContact CE2-CG 3.59Å; Y80-R146 HydrophobicContact CG-CG 4.2Å; Y80-R146 PolarHBondContact O-NH2 3.24Å; D83-R146 IonicContact OD2-NH1 2.74Å; D83-R146 PolarHBondContact OD2-NH1 2.95Å; D118-R146 WeakPolarHBondContact OD1-CD 3.34Å; D118-R146 IonicContact OD1-CZ 3.53Å; D118-R146 IonicContact OD1-NE 3.82Å; D118-R146 PolarHBondContact OD1-NE 3.15Å; D118-R146 IonicContact OD1-NH1 3.52Å; D118-R146 PolarHBondContact OD1-NH1 3.44Å; D118-R146 IonicContact OD2-NH1 2.84Å; S121-R146 WeakPolarHBondContact OG-CG 3.36Å; S121-R146 PolarHBondContact OG-NE 2.96Å; R143-R146 PolarHBondContact O-N 3.24Å; F144-R146 PolarHBondContact O-N 2.79Å; R146-P148 VanDerWaalsContact C-N 3.28Å; R146-R149 VanDerWaalsContact O-CB 3.26Å; R146-R149 WeakPolarHBondContact O-CB 3.43Å; R146-R149 PolarHBondContact O-N 3.33Å
147	V	94.8	Very high	93.6	Very high	32 Å²	32	37.7 Å²	37.7	19%	0.194	19%	0.193	C	C	.	.	H	α-helix	trans	-51.4	-35.4	175.7	167.9	0	0	0	0	114.3	L49 F144 R149 L150 F151	L49-V147 HydrophobicContact CD1-CG2 4.13Å; F144-V147 WeakPolarHBondContact O-CB 3.27Å; F144-V147 WeakPolarHBondContact O-CG2 3.08Å; F144-V147 PolarHBondContact O-N 2.86Å; V147-R149 PolarHBondContact O-N 2.97Å; V147-L150 VanDerWaalsContact O-CB 3.23Å; V147-L150 WeakPolarHBondContact O-CB 3.46Å; V147-L150 PolarHBondContact O-N 3.48Å; V147-F151 HydrophobicContact CG1-CD2 4.11Å; V147-F151 HydrophobicContact CG1-CE2 3.46Å; V147-F151 VanDerWaalsContact CG1-CE2 3.46Å; V147-F151 HydrophobicContact CG1-CZ 3.7Å; V147-F151 PolarHBondContact O-N 2.98Å
148	P	94.8	Very high	93.7	Very high	65 Å²	65	38.8 Å²	38.8	42%	0.422	20%	0.198	S	C	.	.	H	α-helix	trans	-55.7	-27.6	175.5	-28.2	36.9	0	0	0	114.4	L117 L145 R146 L150 F151 E152	L117-P148 HydrophobicContact CD1-CG 4.27Å; L145-P148 WeakPolarHBondContact O-CD 3.48Å; R146-P148 VanDerWaalsContact C-N 3.28Å; P148-L150 VanDerWaalsContact C-N 3.33Å; P148-F151 PolarHBondContact O-N 3.44Å; P148-E152 PolarHBondContact O-N 3.29Å
149	R	93.6	Very high	93.7	Very high	4 Å²	4	41 Å²	41	2%	0.015	21%	0.211	C	C	.	.	H	α-helix	trans	-67.5	-34.1	176.5	-163.7	61.5	162.9	163.4	3.4	112.2	Y34 L38 M41 D83 R146 V147 E152 A153	Y34-R149 PolarHBondContact OH-NH1 3.46Å; L38-R149 HydrophobicContact CD2-CG 4.43Å; L38-R149 VanDerWaalsContact CD2-NH1 3.26Å; M41-R149 HydrophobicContact CB-CG 4Å; D83-R149 IonicContact OD1-CZ 3.28Å; D83-R149 VanDerWaalsContact OD1-CZ 3.24Å; D83-R149 IonicContact OD1-NE 3.43Å; D83-R149 PolarHBondContact OD1-NE 2.98Å; D83-R149 IonicContact OD1-NH2 3.96Å; D83-R149 PolarHBondContact OD1-NH2 3Å; D83-R149 IonicContact OD2-NE 2.95Å; R146-R149 VanDerWaalsContact O-CB 3.26Å; R146-R149 WeakPolarHBondContact O-CB 3.43Å; R146-R149 PolarHBondContact O-N 3.33Å; V147-R149 PolarHBondContact O-N 2.97Å; R149-E152 IonicContact CZ-OE2 3Å; R149-E152 IonicContact NH1-OE1 3.92Å; R149-E152 PolarHBondContact NH1-OE1 2.95Å; R149-E152 IonicContact NH1-OE2 2.67Å; R149-E152 PolarHBondContact NH1-OE2 3.41Å; R149-A153 PolarHBondContact O-N 3.46Å
150	L	95	Very high	93.6	Very high	5 Å²	5	43.8 Å²	43.8	3%	0.026	22%	0.219	C	C	.	.	H	α-helix	trans	-64.1	-46.3	174.5	-177.1	66.7	0	0	0	110.7	V42 V45 M46 V147 P148 A153 F154	V42-L150 HydrophobicContact CB-CD1 4.25Å; V42-L150 HydrophobicContact CG1-CD1 3.66Å; V42-L150 HydrophobicContact CG2-CD1 4.06Å; V45-L150 HydrophobicContact CG1-CB 4.05Å; M46-L150 HydrophobicContact CG-CD1 4.15Å; M46-L150 HydrophobicContact SD-CD1 4.01Å; M46-L150 HydrophobicContact SD-CD2 3.73Å; V147-L150 VanDerWaalsContact O-CB 3.23Å; V147-L150 WeakPolarHBondContact O-CB 3.46Å; V147-L150 PolarHBondContact O-N 3.48Å; P148-L150 VanDerWaalsContact C-N 3.33Å; L150-A153 PolarHBondContact O-N 2.96Å; L150-F154 HydrophobicContact CD1-CD1 4.37Å; L150-F154 HydrophobicContact CD1-CD2 4.47Å; L150-F154 HydrophobicContact CD1-CE1 3.7Å; L150-F154 HydrophobicContact CD1-CE2 3.82Å; L150-F154 HydrophobicContact CD1-CZ 3.38Å; L150-F154 HydrophobicContact CD2-CE2 4.07Å; L150-F154 HydrophobicContact CD2-CZ 4.35Å; L150-F154 HydrophobicContact CG-CD2 4.15Å; L150-F154 HydrophobicContact CG-CE1 4.39Å; L150-F154 HydrophobicContact CG-CE2 3.7Å; L150-F154 HydrophobicContact CG-CZ 3.84Å; L150-F154 WeakPolarHBondContact O-CG 3.43Å; L150-F154 PolarHBondContact O-N 2.9Å
151	F	95	Very high	93.5	Very high	94 Å²	94	46 Å²	46	41%	0.412	23%	0.233	S	C	.	.	H	α-helix	trans	-63.4	-42.7	177.8	-61.2	-42.3	0	0	0	111.7	V147 P148 A153 F154 D155 Y175	V147-F151 HydrophobicContact CG1-CD2 4.11Å; V147-F151 HydrophobicContact CG1-CE2 3.46Å; V147-F151 VanDerWaalsContact CG1-CE2 3.46Å; V147-F151 HydrophobicContact CG1-CZ 3.7Å; V147-F151 PolarHBondContact O-N 2.98Å; P148-F151 PolarHBondContact O-N 3.44Å; F151-A153 VanDerWaalsContact C-N 3.33Å; F151-A153 PolarHBondContact O-N 2.98Å; F151-F154 PolarHBondContact O-N 3.39Å; F151-D155 PolarHBondContact O-N 3.35Å; F151-Y175 WeakPolarHBondContact CD1-OH 3.22Å; F151-Y175 HydrophobicContact CE1-CE1 4.2Å; F151-Y175 AromaticContact CE1-CZ 3.96Å; F151-Y175 WeakPolarHBondContact CE1-OH 3.28Å
152	E	94.4	Very high	93.3	Very high	49 Å²	49	46.3 Å²	46.3	23%	0.229	25%	0.246	C	C	.	.	H	α-helix	trans	-57.8	-44.6	174.5	-170.6	-177	174.8	0	0	111.9	Y34 L38 R87 P148 R149 R156	Y34-E152 PolarHBondContact OH-OE1 3.3Å; L38-E152 HydrophobicContact CD1-CG 4.2Å; L38-E152 HydrophobicContact CD2-CB 4.23Å; L38-E152 HydrophobicContact CD2-CG 3.95Å; R87-E152 IonicContact NH2-OE2 2.69Å; R87-E152 PolarHBondContact NH2-OE2 3.49Å; P148-E152 PolarHBondContact O-N 3.29Å; R149-E152 IonicContact CZ-OE2 3Å; R149-E152 IonicContact NH1-OE1 3.92Å; R149-E152 PolarHBondContact NH1-OE1 2.95Å; R149-E152 IonicContact NH1-OE2 2.67Å; R149-E152 PolarHBondContact NH1-OE2 3.41Å; E152-R156 WeakPolarHBondContact O-CB 3.43Å; E152-R156 WeakPolarHBondContact O-CG 3.44Å; E152-R156 PolarHBondContact O-N 2.97Å; E152-R156 VanDerWaalsContact O-N 3.16Å
153	A	95.1	Very high	93	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.1	-39.3	177.4	0	0	0	0	0	112.5	L38 V42 R149 L150 F151 T157	L38-A153 HydrophobicContact CB-CB 4.16Å; L38-A153 HydrophobicContact CD2-CB 4.44Å; V42-A153 HydrophobicContact CG2-CB 3.63Å; R149-A153 PolarHBondContact O-N 3.46Å; L150-A153 PolarHBondContact O-N 2.96Å; F151-A153 VanDerWaalsContact C-N 3.33Å; F151-A153 PolarHBondContact O-N 2.98Å; A153-T157 WeakPolarHBondContact O-CB 3.36Å; A153-T157 PolarHBondContact O-N 2.91Å; A153-T157 PolarHBondContact O-OG1 2.95Å
154	F	95.4	Very high	92.7	Very high	17 Å²	17	55.2 Å²	55.2	8%	0.075	29%	0.286	C	S	.	.	H	α-helix	trans	-68.6	-43.7	178.3	-72.1	-7.6	0	0	0	112.7	V42 L150 F151 R156 T157 E158 F167 K171 L174 Y175	V42-F154 HydrophobicContact CG1-CE1 4.4Å; V42-F154 HydrophobicContact CG2-CE1 4.48Å; L150-F154 HydrophobicContact CD1-CD1 4.37Å; L150-F154 HydrophobicContact CD1-CD2 4.47Å; L150-F154 HydrophobicContact CD1-CE1 3.7Å; L150-F154 HydrophobicContact CD1-CE2 3.82Å; L150-F154 HydrophobicContact CD1-CZ 3.38Å; L150-F154 HydrophobicContact CD2-CE2 4.07Å; L150-F154 HydrophobicContact CD2-CZ 4.35Å; L150-F154 HydrophobicContact CG-CD2 4.15Å; L150-F154 HydrophobicContact CG-CE1 4.39Å; L150-F154 HydrophobicContact CG-CE2 3.7Å; L150-F154 HydrophobicContact CG-CZ 3.84Å; L150-F154 WeakPolarHBondContact O-CG 3.43Å; L150-F154 PolarHBondContact O-N 2.9Å; F151-F154 PolarHBondContact O-N 3.39Å; F154-R156 VanDerWaalsContact C-N 3.31Å; F154-R156 PolarHBondContact O-N 3.41Å; F154-T157 PolarHBondContact O-N 2.93Å; F154-E158 WeakPolarHBondContact O-CB 3.47Å; F154-E158 PolarHBondContact O-N 3.24Å; F154-F167 HydrophobicContact CB-CE1 4.31Å; F154-F167 HydrophobicContact CB-CZ 4.39Å; F154-F167 HydrophobicContact CD1-CZ 4.05Å; F154-F167 HydrophobicContact CG-CZ 4.39Å; F154-F167 VanDerWaalsContact O-CE1 3.32Å; F154-F167 WeakPolarHBondContact O-CE1 3.28Å; F154-K171 HydrophobicContact CB-CD 3.93Å; F154-K171 HydrophobicContact CD2-CD 3.79Å; F154-K171 HydrophobicContact CD2-CG 3.8Å; F154-K171 HydrophobicContact CE2-CG 4.18Å; F154-K171 HydrophobicContact CG-CD 4.16Å; F154-K171 HydrophobicContact CG-CG 4.48Å; F154-L174 HydrophobicContact CE2-CD2 4.01Å; F154-L174 HydrophobicContact CZ-CD2 3.57Å; F154-Y175 HydrophobicContact CD2-CE1 4.26Å; F154-Y175 AromaticContact CE2-CE1 3.94Å; F154-Y175 HydrophobicContact CE2-CE1 3.94Å
155	D	93	Very high	92.4	Very high	94 Å²	94	55.4 Å²	55.4	50%	0.503	29%	0.288	S	S	.	.	H	α-helix	trans	-64.2	-38.6	178.4	-68.7	-16.2	0	0	0	111.5	F151 T159	F151-D155 PolarHBondContact O-N 3.35Å; D155-T159 PolarHBondContact O-N 3.26Å; D155-T159 PolarHBondContact O-OG1 3.33Å
156	R	92.4	Very high	92	Very high	81 Å²	81	55 Å²	55	31%	0.306	30%	0.295	S	S	.	.	H	α-helix	trans	-67.6	-35.2	174.4	-68.4	-66.4	-171.6	146.4	8.3	112.7	P29 Y35 L38 E152 F154 T159 R160	P29-R156 PolarHBondContact O-NH1 3.38Å; P29-R156 PolarHBondContact O-NH2 2.99Å; Y35-R156 HydrophobicContact CD2-CB 4.18Å; Y35-R156 HydrophobicContact CE2-CB 4.47Å; L38-R156 HydrophobicContact CD1-CG 4.02Å; E152-R156 WeakPolarHBondContact O-CB 3.43Å; E152-R156 WeakPolarHBondContact O-CG 3.44Å; E152-R156 PolarHBondContact O-N 2.97Å; E152-R156 VanDerWaalsContact O-N 3.16Å; F154-R156 VanDerWaalsContact C-N 3.31Å; F154-R156 PolarHBondContact O-N 3.41Å; R156-T159 PolarHBondContact O-OG1 3.04Å; R156-T159 VanDerWaalsContact O-OG1 3.07Å; R156-R160 WeakPolarHBondContact O-CG 3.42Å; R156-R160 PolarHBondContact O-N 3.22Å
157	T	93.8	Very high	91.8	Very high	15 Å²	15	57 Å²	57	9%	0.092	30%	0.303	C	S	.	.	H	α-helix	trans	-74.8	-37.2	177.9	-59.5	0	0	0	0	111.6	Y35 N39 A153 F154 T159 R160 T161 F167	Y35-T157 WeakPolarHBondContact CE2-OG1 3.29Å; Y35-T157 PolarHBondContact OH-OG1 3.35Å; N39-T157 PolarHBondContact OD1-OG1 2.86Å; A153-T157 WeakPolarHBondContact O-CB 3.36Å; A153-T157 PolarHBondContact O-N 2.91Å; A153-T157 PolarHBondContact O-OG1 2.95Å; F154-T157 PolarHBondContact O-N 2.93Å; T157-T159 VanDerWaalsContact C-N 3.29Å; T157-T159 PolarHBondContact O-N 2.94Å; T157-R160 PolarHBondContact O-N 2.67Å; T157-T161 WeakPolarHBondContact O-CB 3.24Å; T157-T161 VanDerWaalsContact O-CG2 3.3Å; T157-T161 WeakPolarHBondContact O-CG2 3.49Å; T157-T161 PolarHBondContact O-N 3.15Å; T157-F167 HydrophobicContact CG2-CD2 3.93Å; T157-F167 HydrophobicContact CG2-CE1 4.2Å; T157-F167 HydrophobicContact CG2-CE2 3.4Å; T157-F167 VanDerWaalsContact CG2-CE2 3.4Å; T157-F167 HydrophobicContact CG2-CZ 3.56Å
158	E	91.8	Very high	91.6	Very high	29 Å²	29	59.1 Å²	59.1	14%	0.136	31%	0.308	C	S	.	.	H	α-helix	trans	-62.4	-35.9	176.3	-172.2	168	171.4	0	0	112.2	F154 T161 P164 F167 R168 K171	F154-E158 WeakPolarHBondContact O-CB 3.47Å; F154-E158 PolarHBondContact O-N 3.24Å; E158-T161 WeakPolarHBondContact O-CG2 3.24Å; E158-P164 HydrophobicContact CG-CB 4.44Å; E158-F167 HydrophobicContact CB-CD1 3.76Å; E158-F167 HydrophobicContact CB-CE1 4.02Å; E158-F167 HydrophobicContact CG-CD1 4.25Å; E158-R168 IonicContact OE1-CZ 3.26Å; E158-R168 VanDerWaalsContact OE1-CZ 3.3Å; E158-R168 IonicContact OE1-NE 3.24Å; E158-R168 PolarHBondContact OE1-NE 2.93Å; E158-R168 IonicContact OE1-NH2 3.29Å; E158-R168 PolarHBondContact OE1-NH2 2.87Å; E158-K171 IonicContact OE2-NZ 3.97Å; E158-K171 PolarHBondContact OE2-NZ 2.99Å
159	T	89.8	Confident	91.2	Very high	112 Å²	112	59.2 Å²	59.2	69%	0.687	30%	0.304	S	S	*	.	H	α-helix	trans	-80.3	-25.2	179.2	46.8	0	0	0	0	114.2	D155 R156 T157	D155-T159 PolarHBondContact O-N 3.26Å; D155-T159 PolarHBondContact O-OG1 3.33Å; R156-T159 PolarHBondContact O-OG1 3.04Å; R156-T159 VanDerWaalsContact O-OG1 3.07Å; T157-T159 VanDerWaalsContact C-N 3.29Å; T157-T159 PolarHBondContact O-N 2.94Å
160	R	90.4	Very high	91.1	Very high	101 Å²	101	61.7 Å²	61.7	38%	0.381	33%	0.326	S	S	.	.	H	α-helix	trans	-94.9	-22.1	-178.9	-74.7	-178.1	164.9	-139.5	-3.9	114.3	S30 D32 R156 T157	S30-R160 PolarHBondContact O-NH2 3.05Å; D32-R160 IonicContact OD1-CZ 3.3Å; D32-R160 VanDerWaalsContact OD1-CZ 3.31Å; D32-R160 IonicContact OD1-NH1 3.2Å; D32-R160 PolarHBondContact OD1-NH1 2.81Å; D32-R160 IonicContact OD1-NH2 2.78Å; D32-R160 PolarHBondContact OD1-NH2 3.41Å; R156-R160 WeakPolarHBondContact O-CG 3.42Å; R156-R160 PolarHBondContact O-N 3.22Å; T157-R160 PolarHBondContact O-N 2.67Å
161	T	90.3	Very high	90.9	Very high	47 Å²	47	63 Å²	63	29%	0.288	33%	0.332	S	S	.	.			trans	-70.3	143.9	-178.8	-177.2	0	0	0	0	111.6	T157 E158 Y163 P164 F167	T157-T161 WeakPolarHBondContact O-CB 3.24Å; T157-T161 VanDerWaalsContact O-CG2 3.3Å; T157-T161 WeakPolarHBondContact O-CG2 3.49Å; T157-T161 PolarHBondContact O-N 3.15Å; E158-T161 WeakPolarHBondContact O-CG2 3.24Å; T161-Y163 PolarHBondContact O-N 2.66Å; T161-Y163 PolarHBondContact OG1-N 2.88Å; T161-Y163 VanDerWaalsContact OG1-N 3.15Å; T161-P164 HydrophobicContact CG2-CB 4.3Å; T161-F167 HydrophobicContact CG2-CB 4.05Å
162	A	88.6	Confident	90.7	Very high	84 Å²	84	60 Å²	60	69%	0.694	32%	0.319	S	S	*	.	S	Bend	trans	-67.9	-15.2	169.8	0	0	0	0	0	112.6	P164	A162-P164 VanDerWaalsContact C-CD 3.47Å; A162-P164 WeakPolarHBondContact O-CD 3.24Å
163	Y	86.4	Confident	90.5	Very high	170 Å²	170	62.1 Å²	62.1	67%	0.667	33%	0.33	S	S	*	.			trans	-126.4	66.9	-175.5	-52.8	-72.8	0	0	0	111.9	T161 N165 A166 F167	T161-Y163 PolarHBondContact O-N 2.66Å; T161-Y163 PolarHBondContact OG1-N 2.88Å; T161-Y163 VanDerWaalsContact OG1-N 3.15Å; Y163-N165 VanDerWaalsContact C-N 3.31Å; Y163-N165 PolarHBondContact O-N 3.33Å; Y163-A166 PolarHBondContact O-N 3.12Å; Y163-F167 PolarHBondContact O-N 2.74Å; Y163-F167 VanDerWaalsContact O-N 3.11Å
164	P	88.9	Confident	90.4	Very high	51 Å²	51	64.6 Å²	64.6	33%	0.331	34%	0.344	S	S	.	.	H	α-helix	trans	-61.5	-38.2	-174.3	22.8	-33.6	0	0	0	112.7	E158 T161 A162 F167 R168	E158-P164 HydrophobicContact CG-CB 4.44Å; T161-P164 HydrophobicContact CG2-CB 4.3Å; A162-P164 VanDerWaalsContact C-CD 3.47Å; A162-P164 WeakPolarHBondContact O-CD 3.24Å; P164-F167 PolarHBondContact O-N 2.7Å; P164-R168 WeakPolarHBondContact O-CB 3.45Å; P164-R168 PolarHBondContact O-N 3.24Å
165	N	86.4	Confident	90.3	Very high	42 Å²	42	67.5 Å²	67.5	23%	0.225	35%	0.354	C	S	.	.	H	α-helix	trans	-63.9	-43.5	178.2	-75.8	-24.1	0	0	0	113	Y163 R168 I169 V268	Y163-N165 VanDerWaalsContact C-N 3.31Å; Y163-N165 PolarHBondContact O-N 3.33Å; N165-R168 PolarHBondContact O-N 3.3Å; N165-I169 WeakPolarHBondContact O-CG1 3.41Å; N165-I169 PolarHBondContact O-N 2.82Å; N165-I169 VanDerWaalsContact O-N 3.17Å; N165-V268 HydrophobicContact CB-CG1 3.65Å
166	A	87	Confident	90.2	Very high	60 Å²	60	64.9 Å²	64.9	50%	0.496	34%	0.34	S	S	.	.	H	α-helix	trans	-66.2	-41.1	177.1	0	0	0	0	0	111.2	Y163 R168 I169 A170	Y163-A166 PolarHBondContact O-N 3.12Å; A166-R168 VanDerWaalsContact C-N 3.35Å; A166-R168 PolarHBondContact O-N 2.77Å; A166-I169 PolarHBondContact O-N 2.99Å; A166-A170 PolarHBondContact O-N 2.94Å
167	F	91.6	Very high	90.3	Very high	44 Å²	44	65 Å²	65	19%	0.193	34%	0.343	C	S	.	.	H	α-helix	trans	-63	-40.3	175.7	-174.1	-99.4	0	0	0	112.2	F154 T157 E158 T161 Y163 P164 I169 A170 K171	F154-F167 HydrophobicContact CB-CE1 4.31Å; F154-F167 HydrophobicContact CB-CZ 4.39Å; F154-F167 HydrophobicContact CD1-CZ 4.05Å; F154-F167 HydrophobicContact CG-CZ 4.39Å; F154-F167 VanDerWaalsContact O-CE1 3.32Å; F154-F167 WeakPolarHBondContact O-CE1 3.28Å; T157-F167 HydrophobicContact CG2-CD2 3.93Å; T157-F167 HydrophobicContact CG2-CE1 4.2Å; T157-F167 HydrophobicContact CG2-CE2 3.4Å; T157-F167 VanDerWaalsContact CG2-CE2 3.4Å; T157-F167 HydrophobicContact CG2-CZ 3.56Å; E158-F167 HydrophobicContact CB-CD1 3.76Å; E158-F167 HydrophobicContact CB-CE1 4.02Å; E158-F167 HydrophobicContact CG-CD1 4.25Å; T161-F167 HydrophobicContact CG2-CB 4.05Å; Y163-F167 PolarHBondContact O-N 2.74Å; Y163-F167 VanDerWaalsContact O-N 3.11Å; P164-F167 PolarHBondContact O-N 2.7Å; F167-I169 VanDerWaalsContact C-N 3.34Å; F167-I169 PolarHBondContact O-N 3.06Å; F167-A170 PolarHBondContact O-N 2.98Å; F167-K171 WeakPolarHBondContact O-CB 3.33Å; F167-K171 PolarHBondContact O-N 3.26Å
168	R	88.9	Confident	90.4	Very high	77 Å²	77	65.1 Å²	65.1	29%	0.291	34%	0.344	S	S	.	.	H	α-helix	trans	-60.1	-42.3	175.4	-170	178.6	-62	156.2	3.3	112.3	E158 P164 N165 A166 L172	E158-R168 IonicContact OE1-CZ 3.26Å; E158-R168 VanDerWaalsContact OE1-CZ 3.3Å; E158-R168 IonicContact OE1-NE 3.24Å; E158-R168 PolarHBondContact OE1-NE 2.93Å; E158-R168 IonicContact OE1-NH2 3.29Å; E158-R168 PolarHBondContact OE1-NH2 2.87Å; P164-R168 WeakPolarHBondContact O-CB 3.45Å; P164-R168 PolarHBondContact O-N 3.24Å; N165-R168 PolarHBondContact O-N 3.3Å; A166-R168 VanDerWaalsContact C-N 3.35Å; A166-R168 PolarHBondContact O-N 2.77Å; R168-L172 WeakPolarHBondContact O-CB 3.33Å; R168-L172 PolarHBondContact O-N 2.92Å
169	I	87.9	Confident	90.6	Very high	67 Å²	67	66.6 Å²	66.6	34%	0.344	36%	0.355	S	S	.	.	H	α-helix	trans	-64.5	-46.3	174.6	-66	169.5	0	0	0	110.4	N165 A166 F167 K171 L172 M173 V268	N165-I169 WeakPolarHBondContact O-CG1 3.41Å; N165-I169 PolarHBondContact O-N 2.82Å; N165-I169 VanDerWaalsContact O-N 3.17Å; A166-I169 PolarHBondContact O-N 2.99Å; F167-I169 VanDerWaalsContact C-N 3.34Å; F167-I169 PolarHBondContact O-N 3.06Å; I169-K171 VanDerWaalsContact C-N 3.35Å; I169-K171 PolarHBondContact O-N 2.85Å; I169-L172 PolarHBondContact O-N 3.23Å; I169-M173 HydrophobicContact CG2-CG 4.33Å; I169-M173 WeakPolarHBondContact O-CG 3.18Å; I169-M173 PolarHBondContact O-N 3.26Å; I169-V268 HydrophobicContact CD1-CG1 3.99Å; I169-V268 HydrophobicContact CG1-CG1 4.44Å
170	A	90.7	Very high	90.9	Very high	57 Å²	57	61.9 Å²	61.9	47%	0.471	33%	0.325	S	S	.	.	H	α-helix	trans	-60.5	-42.9	178.7	0	0	0	0	0	112.4	A166 F167 M173 L174	A166-A170 PolarHBondContact O-N 2.94Å; F167-A170 PolarHBondContact O-N 2.98Å; A170-M173 PolarHBondContact O-N 2.88Å; A170-L174 PolarHBondContact O-N 3.13Å
171	K	91.4	Very high	91.2	Very high	33 Å²	33	57.2 Å²	57.2	14%	0.143	31%	0.308	C	S	.	.	H	α-helix	trans	-58.8	-46.1	174.4	-178.5	174.8	73.7	-178.1	0	111.7	F154 E158 F167 I169 L174 Y175	F154-K171 HydrophobicContact CB-CD 3.93Å; F154-K171 HydrophobicContact CD2-CD 3.79Å; F154-K171 HydrophobicContact CD2-CG 3.8Å; F154-K171 HydrophobicContact CE2-CG 4.18Å; F154-K171 HydrophobicContact CG-CD 4.16Å; F154-K171 HydrophobicContact CG-CG 4.48Å; E158-K171 IonicContact OE2-NZ 3.97Å; E158-K171 PolarHBondContact OE2-NZ 2.99Å; F167-K171 WeakPolarHBondContact O-CB 3.33Å; F167-K171 PolarHBondContact O-N 3.26Å; I169-K171 VanDerWaalsContact C-N 3.35Å; I169-K171 PolarHBondContact O-N 2.85Å; K171-L174 WeakPolarHBondContact O-CB 3.38Å; K171-L174 PolarHBondContact O-N 2.71Å; K171-Y175 HydrophobicContact CD-CE2 4.31Å; K171-Y175 HydrophobicContact CG-CE1 4.14Å; K171-Y175 HydrophobicContact CG-CE2 3.78Å; K171-Y175 PolarHBondContact O-N 3.47Å
172	L	90.1	Very high	91.5	Very high	29 Å²	29	58.8 Å²	58.8	15%	0.152	31%	0.308	C	S	.	.	H	α-helix	trans	-63.2	-44.6	176.6	-179.3	67.2	0	0	0	112	R168 I169 L174 Y175 I176 I261	R168-L172 WeakPolarHBondContact O-CB 3.33Å; R168-L172 PolarHBondContact O-N 2.92Å; I169-L172 PolarHBondContact O-N 3.23Å; L172-L174 VanDerWaalsContact C-N 3.28Å; L172-L174 PolarHBondContact O-N 3.47Å; L172-Y175 PolarHBondContact O-N 3.22Å; L172-Y175 VanDerWaalsContact O-N 3.17Å; L172-I176 HydrophobicContact CG-CD1 4.36Å; L172-I176 WeakPolarHBondContact O-CG1 3.47Å; L172-I176 PolarHBondContact O-N 2.96Å; L172-I261 HydrophobicContact CD1-CG1 4.18Å; L172-I261 HydrophobicContact CD2-CB 4.32Å; L172-I261 HydrophobicContact CD2-CG1 4.27Å; L172-I261 HydrophobicContact CD2-CG2 4.11Å; L172-I261 HydrophobicContact CG-CG1 4.33Å
173	M	90.1	Very high	91.9	Very high	94 Å²	94	55.1 Å²	55.1	46%	0.463	28%	0.277	S	S	.	.	H	α-helix	trans	-60.2	-38.5	175.5	-69.1	-62.2	123.8	0	0	112.2	I169 A170 I176 F177 I261	I169-M173 HydrophobicContact CG2-CG 4.33Å; I169-M173 WeakPolarHBondContact O-CG 3.18Å; I169-M173 PolarHBondContact O-N 3.26Å; A170-M173 PolarHBondContact O-N 2.88Å; M173-I176 HydrophobicContact CE-CD1 3.69Å; M173-I176 PolarHBondContact O-N 2.88Å; M173-I176 HydrophobicContact SD-CD1 4.06Å; M173-F177 WeakPolarHBondContact O-CB 3.44Å; M173-F177 PolarHBondContact O-N 3.19Å; M173-I261 HydrophobicContact CE-CG2 4.38Å
174	L	93.6	Very high	92.5	Very high	53 Å²	53	47 Å²	47	28%	0.277	25%	0.245	S	C	.	.	H	α-helix	trans	-63.4	-43	174.3	-178.8	65	0	0	0	112	M46 F154 A170 K171 L172 F177 V178	M46-L174 HydrophobicContact CE-CD1 3.84Å; M46-L174 HydrophobicContact CE-CD2 4.18Å; M46-L174 HydrophobicContact CE-CG 4.26Å; M46-L174 HydrophobicContact SD-CD2 4.29Å; F154-L174 HydrophobicContact CE2-CD2 4.01Å; F154-L174 HydrophobicContact CZ-CD2 3.57Å; A170-L174 PolarHBondContact O-N 3.13Å; K171-L174 WeakPolarHBondContact O-CB 3.38Å; K171-L174 PolarHBondContact O-N 2.71Å; L172-L174 VanDerWaalsContact C-N 3.28Å; L172-L174 PolarHBondContact O-N 3.47Å; L174-F177 PolarHBondContact O-N 3.18Å; L174-V178 WeakPolarHBondContact O-CG2 3.25Å; L174-V178 PolarHBondContact O-N 3.05Å
175	Y	92.5	Very high	92.9	Very high	77 Å²	77	44.6 Å²	44.6	30%	0.302	23%	0.229	S	C	.	.	H	α-helix	trans	-61.6	-44.6	176.6	-63	-21	0	0	0	111.8	F151 F154 K171 L172 F177 V178 V179	F151-Y175 WeakPolarHBondContact CD1-OH 3.22Å; F151-Y175 HydrophobicContact CE1-CE1 4.2Å; F151-Y175 AromaticContact CE1-CZ 3.96Å; F151-Y175 WeakPolarHBondContact CE1-OH 3.28Å; F154-Y175 HydrophobicContact CD2-CE1 4.26Å; F154-Y175 AromaticContact CE2-CE1 3.94Å; F154-Y175 HydrophobicContact CE2-CE1 3.94Å; K171-Y175 HydrophobicContact CD-CE2 4.31Å; K171-Y175 HydrophobicContact CG-CE1 4.14Å; K171-Y175 HydrophobicContact CG-CE2 3.78Å; K171-Y175 PolarHBondContact O-N 3.47Å; L172-Y175 PolarHBondContact O-N 3.22Å; L172-Y175 VanDerWaalsContact O-N 3.17Å; Y175-F177 VanDerWaalsContact C-N 3.33Å; Y175-F177 PolarHBondContact O-N 3.35Å; Y175-V178 PolarHBondContact O-N 3.32Å; Y175-V179 WeakPolarHBondContact O-CG2 3.28Å; Y175-V179 PolarHBondContact O-N 3.12Å
176	I	91.9	Very high	93.4	Very high	40 Å²	40	47 Å²	47	21%	0.205	24%	0.242	C	C	.	.	H	α-helix	trans	-58.8	-47.9	175.2	-62.4	163.8	0	0	0	110.4	L172 M173 V178 V179 I180 I261	L172-I176 HydrophobicContact CG-CD1 4.36Å; L172-I176 WeakPolarHBondContact O-CG1 3.47Å; L172-I176 PolarHBondContact O-N 2.96Å; M173-I176 HydrophobicContact CE-CD1 3.69Å; M173-I176 PolarHBondContact O-N 2.88Å; M173-I176 HydrophobicContact SD-CD1 4.06Å; I176-V178 VanDerWaalsContact C-N 3.31Å; I176-V178 PolarHBondContact O-N 3.35Å; I176-V179 PolarHBondContact O-N 3.34Å; I176-I180 HydrophobicContact CG2-CD1 3.64Å; I176-I180 HydrophobicContact CG2-CG1 4.21Å; I176-I180 WeakPolarHBondContact O-CG1 3.25Å; I176-I180 PolarHBondContact O-N 2.84Å; I176-I261 HydrophobicContact CD1-CD1 3.28Å; I176-I261 HydrophobicContact CD1-CG1 3.66Å; I176-I261 HydrophobicContact CD1-CG2 4.41Å; I176-I261 HydrophobicContact CG1-CD1 3.63Å; I176-I261 HydrophobicContact CG1-CG1 4.11Å
177	F	94.6	Very high	93.9	Very high	84 Å²	84	44.1 Å²	44.1	37%	0.368	22%	0.218	S	C	.	.	H	α-helix	trans	-57.2	-45.1	178.6	174.3	-92.6	0	0	0	111.8	I50 M173 L174 Y175 I180 H181 F222	I50-F177 HydrophobicContact CD1-CE1 4.24Å; M173-F177 WeakPolarHBondContact O-CB 3.44Å; M173-F177 PolarHBondContact O-N 3.19Å; L174-F177 PolarHBondContact O-N 3.18Å; Y175-F177 VanDerWaalsContact C-N 3.33Å; Y175-F177 PolarHBondContact O-N 3.35Å; F177-I180 PolarHBondContact O-N 3.43Å; F177-H181 WeakPolarHBondContact O-CB 3.5Å; F177-H181 PolarHBondContact O-N 3.39Å; F177-F222 HydrophobicContact CD2-CE2 4.38Å; F177-F222 AromaticContact CD2-CZ 3.97Å; F177-F222 HydrophobicContact CD2-CZ 3.97Å; F177-F222 HydrophobicContact CE2-CE2 4.04Å; F177-F222 AromaticContact CE2-CZ 3.84Å; F177-F222 HydrophobicContact CE2-CZ 3.84Å
178	V	95.6	Very high	94.1	Very high	17 Å²	17	42.2 Å²	42.2	10%	0.103	21%	0.21	C	C	.	.	H	α-helix	trans	-64	-41.5	177.8	172.4	0	0	0	0	111.2	M46 L49 I50 L174 Y175 I176 H181 W182	M46-V178 HydrophobicContact CE-CG2 4.02Å; L49-V178 HydrophobicContact CD2-CG1 3.9Å; L49-V178 HydrophobicContact CD2-CG2 4.27Å; L49-V178 HydrophobicContact CG-CG1 4.11Å; I50-V178 HydrophobicContact CG1-CG2 4.41Å; L174-V178 WeakPolarHBondContact O-CG2 3.25Å; L174-V178 PolarHBondContact O-N 3.05Å; Y175-V178 PolarHBondContact O-N 3.32Å; I176-V178 VanDerWaalsContact C-N 3.31Å; I176-V178 PolarHBondContact O-N 3.35Å; V178-H181 WeakPolarHBondContact O-CB 3.49Å; V178-H181 PolarHBondContact O-N 2.99Å; V178-W182 WeakPolarHBondContact O-CB 3.22Å; V178-W182 PolarHBondContact O-N 3.32Å
179	V	95.1	Very high	94.5	Very high	60 Å²	60	40.2 Å²	40.2	36%	0.364	21%	0.209	S	C	.	.	H	α-helix	trans	-64.4	-47.2	177.7	172.1	0	0	0	0	111.4	Y175 I176 H181 W182 N183 L229 L253	Y175-V179 WeakPolarHBondContact O-CG2 3.28Å; Y175-V179 PolarHBondContact O-N 3.12Å; I176-V179 PolarHBondContact O-N 3.34Å; V179-H181 VanDerWaalsContact C-N 3.3Å; V179-H181 PolarHBondContact O-N 2.93Å; V179-W182 PolarHBondContact O-N 2.84Å; V179-N183 WeakPolarHBondContact O-CB 3.42Å; V179-N183 PolarHBondContact O-N 2.94Å; V179-L229 HydrophobicContact CG1-CD1 4.14Å; V179-L253 HydrophobicContact CG1-CD2 3.84Å; V179-L253 HydrophobicContact CG1-CG 4.45Å
180	I	96.2	Very high	94.9	Very high	13 Å²	13	38.7 Å²	38.7	7%	0.067	20%	0.202	C	C	.	.	H	α-helix	trans	-60.6	-42.5	175.5	-65.2	172	0	0	0	110.4	I176 F177 N183 S184 F222 T226 L229	I176-I180 HydrophobicContact CG2-CD1 3.64Å; I176-I180 HydrophobicContact CG2-CG1 4.21Å; I176-I180 WeakPolarHBondContact O-CG1 3.25Å; I176-I180 PolarHBondContact O-N 2.84Å; F177-I180 PolarHBondContact O-N 3.43Å; I180-N183 PolarHBondContact O-N 3.41Å; I180-S184 WeakPolarHBondContact O-CB 3.31Å; I180-S184 PolarHBondContact O-N 3.3Å; I180-S184 PolarHBondContact O-OG 2.89Å; I180-F222 HydrophobicContact CB-CE2 4.28Å; I180-F222 HydrophobicContact CB-CZ 4.35Å; I180-F222 HydrophobicContact CG2-CD1 4.42Å; I180-F222 HydrophobicContact CG2-CD2 3.99Å; I180-F222 HydrophobicContact CG2-CE1 4.07Å; I180-F222 HydrophobicContact CG2-CE2 3.62Å; I180-F222 HydrophobicContact CG2-CG 4.38Å; I180-F222 HydrophobicContact CG2-CZ 3.66Å; I180-T226 WeakPolarHBondContact CG2-OG1 3.45Å; I180-L229 HydrophobicContact CB-CD1 4.19Å; I180-L229 HydrophobicContact CG1-CB 4.19Å; I180-L229 HydrophobicContact CG1-CD1 3.65Å
181	H	97.1	Very high	95.2	Very high	3 Å²	3	36 Å²	36	1%	0.014	18%	0.179	C	C	.	.	H	α-helix	trans	-59.2	-49	175.9	176	72	0	0	0	111.8	I50 F177 V178 V179 S184 C185 Y218 F222	I50-H181 WeakPolarHBondContact CG2-NE2 3.48Å; I50-H181 PolarHBondContact O-NE2 3.11Å; F177-H181 WeakPolarHBondContact O-CB 3.5Å; F177-H181 PolarHBondContact O-N 3.39Å; V178-H181 WeakPolarHBondContact O-CB 3.49Å; V178-H181 PolarHBondContact O-N 2.99Å; V179-H181 VanDerWaalsContact C-N 3.3Å; V179-H181 PolarHBondContact O-N 2.93Å; H181-S184 PolarHBondContact O-N 2.8Å; H181-S184 PolarHBondContact O-OG 3.46Å; H181-C185 PolarHBondContact O-N 3.04Å; H181-C185 PolarHBondContact O-SG 3.04Å; H181-Y218 AromaticContact CE1-CE2 3.7Å; H181-Y218 AromaticContact ND1-CE2 3.56Å; H181-Y218 AromaticContact ND1-CZ 3.68Å; H181-Y218 PolarHBondContact ND1-OH 2.85Å; H181-F222 HydrophobicContact CB-CE2 4.35Å
182	W	97.2	Very high	95.4	Very high	80 Å²	80	41.1 Å²	41.1	30%	0.303	20%	0.198	S	C	.	.	H	α-helix	trans	-62.2	-46.1	178.4	-82.6	43.6	0	0	0	111.7	L49 V53 F144 V178 V179 S184 C185 L186	L49-W182 HydrophobicContact CD1-CH2 4.45Å; L49-W182 HydrophobicContact CD1-CZ2 3.64Å; L49-W182 HydrophobicContact CG-CZ2 4.35Å; L49-W182 PolarHBondContact O-NE1 3.5Å; V53-W182 HydrophobicContact CG2-CD2 4.21Å; V53-W182 HydrophobicContact CG2-CH2 4.31Å; V53-W182 HydrophobicContact CG2-CZ2 3.67Å; F144-W182 AromaticContact CD2-CH2 3.74Å; F144-W182 HydrophobicContact CD2-CH2 3.74Å; F144-W182 HydrophobicContact CD2-CZ2 4.12Å; F144-W182 AromaticContact CE2-CH2 3.33Å; F144-W182 HydrophobicContact CE2-CH2 3.33Å; F144-W182 AromaticContact CE2-CZ2 3.51Å; F144-W182 HydrophobicContact CE2-CZ2 3.51Å; F144-W182 HydrophobicContact CE2-CZ3 4.43Å; F144-W182 HydrophobicContact CZ-CH2 4.24Å; F144-W182 AromaticContact CZ-CZ2 3.98Å; F144-W182 HydrophobicContact CZ-CZ2 3.98Å; V178-W182 WeakPolarHBondContact O-CB 3.22Å; V178-W182 PolarHBondContact O-N 3.32Å; V179-W182 PolarHBondContact O-N 2.84Å; W182-S184 VanDerWaalsContact C-N 3.29Å; W182-S184 PolarHBondContact O-N 2.85Å; W182-C185 WeakPolarHBondContact O-CB 3.33Å; W182-C185 PolarHBondContact O-N 3.13Å; W182-L186 WeakPolarHBondContact O-CG 3.41Å; W182-L186 PolarHBondContact O-N 3.28Å
183	N	97.1	Very high	95.6	Very high	7 Å²	7	48.7 Å²	48.7	4%	0.037	23%	0.226	C	C	.	.	H	α-helix	trans	-59.2	-41.5	176.7	-177.2	-98.3	0	0	0	111.7	V179 I180 C185 L186 Y187 S225 L229 F246 D250	V179-N183 WeakPolarHBondContact O-CB 3.42Å; V179-N183 PolarHBondContact O-N 2.94Å; I180-N183 PolarHBondContact O-N 3.41Å; N183-C185 VanDerWaalsContact C-N 3.33Å; N183-C185 PolarHBondContact O-N 3.38Å; N183-L186 PolarHBondContact O-N 3.13Å; N183-Y187 WeakPolarHBondContact O-CB 3.35Å; N183-Y187 PolarHBondContact O-N 3.44Å; N183-S225 WeakPolarHBondContact OD1-CB 3.44Å; N183-S225 PolarHBondContact OD1-OG 3.31Å; N183-L229 HydrophobicContact CB-CD1 3.82Å; N183-F246 WeakPolarHBondContact ND2-CZ 3.38Å; N183-D250 PolarHBondContact ND2-OD1 3.21Å; N183-D250 PolarHBondContact ND2-OD2 3.31Å; N183-D250 PolarHBondContact OD1-OD2 2.8Å
184	S	97.8	Very high	95.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.3	-37.2	177.4	74.9	0	0	0	0	113.2	I180 H181 W182 F188 S221 S225	I180-S184 WeakPolarHBondContact O-CB 3.31Å; I180-S184 PolarHBondContact O-N 3.3Å; I180-S184 PolarHBondContact O-OG 2.89Å; H181-S184 PolarHBondContact O-N 2.8Å; H181-S184 PolarHBondContact O-OG 3.46Å; W182-S184 VanDerWaalsContact C-N 3.29Å; W182-S184 PolarHBondContact O-N 2.85Å; S184-F188 PolarHBondContact O-N 2.95Å; S184-F188 VanDerWaalsContact O-N 3.11Å; S184-S221 WeakPolarHBondContact CB-O 3.5Å; S184-S221 WeakPolarHBondContact O-CB 3.38Å; S184-S225 WeakPolarHBondContact CA-OG 3.23Å; S184-S225 PolarHBondContact N-OG 2.8Å
185	C	97.6	Very high	96	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-67.6	-43.8	174.9	-64.9	0	0	0	0	110.9	V53 C57 F58 H181 W182 N183 F188 A189	V53-C185 HydrophobicContact CG1-CB 3.81Å; C57-C185 HydrophobicContact CB-CB 3.72Å; C57-C185 VanDerWaalsContact CB-O 3.23Å; C57-C185 WeakPolarHBondContact CB-O 3.49Å; C57-C185 VanDerWaalsContact SG-C 3.6Å; C57-C185 PolarHBondContact SG-O 2.96Å; F58-C185 HydrophobicContact CE2-CB 4.44Å; H181-C185 PolarHBondContact O-N 3.04Å; H181-C185 PolarHBondContact O-SG 3.04Å; W182-C185 WeakPolarHBondContact O-CB 3.33Å; W182-C185 PolarHBondContact O-N 3.13Å; N183-C185 VanDerWaalsContact C-N 3.33Å; N183-C185 PolarHBondContact O-N 3.38Å; C185-F188 PolarHBondContact O-N 2.97Å; C185-A189 WeakPolarHBondContact O-CB 3.25Å; C185-A189 PolarHBondContact O-N 3.33Å
186	L	96.9	Very high	96.1	Very high	92 Å²	92	41.5 Å²	41.5	48%	0.482	20%	0.196	S	C	.	.	H	α-helix	trans	-64.7	-43.9	177.5	-68.4	174.3	0	0	0	111.9	W182 N183 F188 A189 L190 F246	W182-L186 WeakPolarHBondContact O-CG 3.41Å; W182-L186 PolarHBondContact O-N 3.28Å; N183-L186 PolarHBondContact O-N 3.13Å; L186-F188 PolarHBondContact O-N 3.38Å; L186-A189 PolarHBondContact O-N 3.49Å; L186-L190 VanDerWaalsContact O-CB 3.31Å; L186-L190 WeakPolarHBondContact O-CB 3.26Å; L186-L190 PolarHBondContact O-N 3.06Å; L186-F246 HydrophobicContact CB-CE2 4.08Å
187	Y	97.3	Very high	96.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-57.2	-47.6	175.3	165.6	-100.6	0	0	0	111.7	N183 L190 S191 W201 Y203 Y220 F224 F246	N183-Y187 WeakPolarHBondContact O-CB 3.35Å; N183-Y187 PolarHBondContact O-N 3.44Å; Y187-L190 PolarHBondContact O-N 3.3Å; Y187-S191 WeakPolarHBondContact O-CB 3.38Å; Y187-S191 PolarHBondContact O-N 3.32Å; Y187-S191 PolarHBondContact O-OG 3.42Å; Y187-W201 AromaticContact CD2-CH2 3.6Å; Y187-W201 HydrophobicContact CD2-CH2 3.6Å; Y187-W201 AromaticContact CD2-CZ2 3.89Å; Y187-W201 HydrophobicContact CD2-CZ2 3.89Å; Y187-W201 HydrophobicContact CD2-CZ3 4.1Å; Y187-W201 HydrophobicContact CE2-CD2 4.38Å; Y187-W201 HydrophobicContact CE2-CE3 4.21Å; Y187-W201 AromaticContact CE2-CH2 3.8Å; Y187-W201 HydrophobicContact CE2-CH2 3.8Å; Y187-W201 AromaticContact CE2-CZ2 3.97Å; Y187-W201 HydrophobicContact CE2-CZ2 3.97Å; Y187-W201 AromaticContact CE2-CZ3 3.92Å; Y187-W201 HydrophobicContact CE2-CZ3 3.92Å; Y187-W201 PolarHBondContact OH-O 3.06Å; Y187-Y203 PolarHBondContact OH-N 3.37Å; Y187-Y220 HydrophobicContact CE1-CD1 4.41Å; Y187-Y220 HydrophobicContact CE1-CE1 4.38Å; Y187-F224 HydrophobicContact CD1-CD1 4.02Å; Y187-F224 HydrophobicContact CD1-CG 4.47Å; Y187-F224 AromaticContact CD2-CD1 3.54Å; Y187-F224 HydrophobicContact CD2-CD1 3.54Å; Y187-F224 AromaticContact CD2-CE1 3.29Å; Y187-F224 HydrophobicContact CD2-CE1 3.29Å; Y187-F224 HydrophobicContact CD2-CG 4.41Å; Y187-F224 HydrophobicContact CD2-CZ 4.01Å; Y187-F224 HydrophobicContact CE1-CB 4.35Å; Y187-F224 HydrophobicContact CE1-CD1 4.11Å; Y187-F224 HydrophobicContact CE1-CG 4.18Å; Y187-F224 AromaticContact CE2-CD1 3.65Å; Y187-F224 HydrophobicContact CE2-CD1 3.65Å; Y187-F224 HydrophobicContact CE2-CD2 4.34Å; Y187-F224 AromaticContact CE2-CE1 3.39Å; Y187-F224 HydrophobicContact CE2-CE1 3.39Å; Y187-F224 HydrophobicContact CE2-CE2 4.12Å; Y187-F224 HydrophobicContact CE2-CG 4.12Å; Y187-F224 AromaticContact CE2-CZ 3.66Å; Y187-F224 HydrophobicContact CE2-CZ 3.66Å; Y187-F224 AromaticContact CG-CD1 3.73Å; Y187-F224 HydrophobicContact CG-CD1 3.73Å; Y187-F224 AromaticContact CG-CE1 3.95Å; Y187-F224 HydrophobicContact CG-CE1 3.95Å; Y187-F224 AromaticContact CZ-CD1 3.93Å; Y187-F224 AromaticContact CZ-CG 3.99Å; Y187-F246 HydrophobicContact CD2-CE1 4.37Å
188	F	97.3	Very high	96	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.018	22%	0.221	C	C	.	.	H	α-helix	trans	-65.4	-42.4	178.6	-174	-99.7	0	0	0	112	C57 F58 S184 C185 L186 L190 S191 R192 F196 Y203 Q217	C57-F188 VanDerWaalsContact O-CD1 3.31Å; C57-F188 WeakPolarHBondContact O-CD1 3.32Å; F58-F188 AromaticContact CD1-CD1 3.48Å; F58-F188 HydrophobicContact CD1-CD1 3.48Å; F58-F188 VanDerWaalsContact CD1-CD1 3.48Å; F58-F188 HydrophobicContact CD1-CD2 4.44Å; F58-F188 AromaticContact CD1-CE1 3.49Å; F58-F188 HydrophobicContact CD1-CE1 3.49Å; F58-F188 VanDerWaalsContact CD1-CE1 3.49Å; F58-F188 HydrophobicContact CD1-CE2 4.46Å; F58-F188 AromaticContact CD1-CG 3.97Å; F58-F188 HydrophobicContact CD1-CG 3.97Å; F58-F188 HydrophobicContact CD1-CZ 4Å; F58-F188 HydrophobicContact CE1-CB 3.88Å; F58-F188 AromaticContact CE1-CD1 3.36Å; F58-F188 HydrophobicContact CE1-CD1 3.36Å; F58-F188 AromaticContact CE1-CD2 3.7Å; F58-F188 HydrophobicContact CE1-CD2 3.7Å; F58-F188 AromaticContact CE1-CE1 3.73Å; F58-F188 HydrophobicContact CE1-CE1 3.73Å; F58-F188 HydrophobicContact CE1-CE2 4.05Å; F58-F188 AromaticContact CE1-CG 3.33Å; F58-F188 HydrophobicContact CE1-CG 3.33Å; F58-F188 HydrophobicContact CE1-CZ 4.05Å; F58-F188 HydrophobicContact CE2-CB 4.36Å; F58-F188 HydrophobicContact CE2-CD1 4.46Å; F58-F188 HydrophobicContact CG-CD1 4.1Å; F58-F188 HydrophobicContact CG-CE1 4.26Å; F58-F188 HydrophobicContact CZ-CB 3.65Å; F58-F188 AromaticContact CZ-CD1 3.89Å; F58-F188 HydrophobicContact CZ-CD1 3.89Å; F58-F188 HydrophobicContact CZ-CD2 4.29Å; F58-F188 AromaticContact CZ-CG 3.67Å; F58-F188 HydrophobicContact CZ-CG 3.67Å; S184-F188 PolarHBondContact O-N 2.95Å; S184-F188 VanDerWaalsContact O-N 3.11Å; C185-F188 PolarHBondContact O-N 2.97Å; L186-F188 PolarHBondContact O-N 3.38Å; F188-L190 VanDerWaalsContact C-N 3.34Å; F188-L190 PolarHBondContact O-N 3.03Å; F188-S191 PolarHBondContact O-N 2.79Å; F188-R192 WeakPolarHBondContact O-CB 3.44Å; F188-R192 PolarHBondContact O-N 3.03Å; F188-F196 HydrophobicContact CE1-CZ 4.29Å; F188-F196 HydrophobicContact CE2-CE1 4.05Å; F188-F196 HydrophobicContact CE2-CZ 4.03Å; F188-F196 HydrophobicContact CZ-CE1 4.21Å; F188-F196 AromaticContact CZ-CZ 3.74Å; F188-F196 HydrophobicContact CZ-CZ 3.74Å; F188-Y203 HydrophobicContact CD2-CD2 4.32Å; F188-Y203 HydrophobicContact CD2-CG 4.18Å; F188-Y203 AromaticContact CE2-CD1 3.98Å; F188-Y203 HydrophobicContact CE2-CD1 3.98Å; F188-Y203 HydrophobicContact CE2-CD2 4.35Å; F188-Y203 HydrophobicContact CE2-CE1 4.3Å; F188-Y203 HydrophobicContact CE2-CG 4.02Å; F188-Q217 HydrophobicContact CD2-CB 4.28Å; F188-Q217 HydrophobicContact CE2-CB 3.62Å; F188-Q217 HydrophobicContact CE2-CG 3.79Å; F188-Q217 HydrophobicContact CZ-CB 4Å; F188-Q217 HydrophobicContact CZ-CG 4.01Å
189	A	96.5	Very high	96	Very high	34 Å²	34	47.4 Å²	47.4	28%	0.281	23%	0.227	S	C	.	.	H	α-helix	trans	-63.5	-39.8	176.7	0	0	0	0	0	112.2	C57 C185 L186 R192 Y193	C57-A189 HydrophobicContact CB-CB 4.08Å; C185-A189 WeakPolarHBondContact O-CB 3.25Å; C185-A189 PolarHBondContact O-N 3.33Å; L186-A189 PolarHBondContact O-N 3.49Å; A189-R192 WeakPolarHBondContact O-CB 3.38Å; A189-R192 PolarHBondContact O-N 3.09Å; A189-Y193 PolarHBondContact O-N 3.2Å
190	L	96.8	Very high	95.9	Very high	36 Å²	36	48.1 Å²	48.1	19%	0.188	24%	0.239	C	C	.	.	H	α-helix	trans	-67.3	-45.4	175.5	-177.4	59.3	0	0	0	111.2	L186 Y187 F188 R192 Y193 L194 W201 F246	L186-L190 VanDerWaalsContact O-CB 3.31Å; L186-L190 WeakPolarHBondContact O-CB 3.26Å; L186-L190 PolarHBondContact O-N 3.06Å; Y187-L190 PolarHBondContact O-N 3.3Å; F188-L190 VanDerWaalsContact C-N 3.34Å; F188-L190 PolarHBondContact O-N 3.03Å; L190-R192 PolarHBondContact O-N 2.79Å; L190-Y193 HydrophobicContact CD1-CD1 4.4Å; L190-Y193 WeakPolarHBondContact O-CB 2.96Å; L190-Y193 PolarHBondContact O-N 2.98Å; L190-L194 HydrophobicContact CD1-CD1 4.03Å; L190-L194 HydrophobicContact CD1-CD2 4.4Å; L190-L194 HydrophobicContact CD1-CG 4.02Å; L190-L194 HydrophobicContact CG-CD1 3.9Å; L190-L194 HydrophobicContact CG-CG 4.3Å; L190-L194 WeakPolarHBondContact O-CG 3.38Å; L190-L194 PolarHBondContact O-N 3.31Å; L190-W201 HydrophobicContact CD2-CH2 4.02Å; L190-W201 HydrophobicContact CD2-CZ3 4.31Å; L190-F246 HydrophobicContact CD2-CB 3.87Å; L190-F246 HydrophobicContact CD2-CD2 3.77Å; L190-F246 HydrophobicContact CD2-CE2 4.5Å; L190-F246 HydrophobicContact CD2-CG 3.84Å
191	S	96.7	Very high	95.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-55.4	-39.6	173.5	-67.6	0	0	0	0	111.8	Y187 F188 G195 Y203	Y187-S191 WeakPolarHBondContact O-CB 3.38Å; Y187-S191 PolarHBondContact O-N 3.32Å; Y187-S191 PolarHBondContact O-OG 3.42Å; F188-S191 PolarHBondContact O-N 2.79Å; S191-G195 CarbonylContact O-C 3.27Å; S191-G195 VanDerWaalsContact O-C 3.27Å; S191-G195 WeakPolarHBondContact O-CA 3.46Å; S191-G195 PolarHBondContact O-N 3Å; S191-Y203 PolarHBondContact OG-N 2.92Å; S191-Y203 VanDerWaalsContact OG-N 3.07Å
192	R	95.1	Very high	95.8	Very high	140 Å²	140	47.5 Å²	47.5	53%	0.528	24%	0.236	S	C	.	.	H	α-helix	trans	-66.9	-40.7	175.9	-172	-179.9	-177.4	-151.7	5	112.4	P59 F188 A189 L190 F196	P59-R192 VanDerWaalsContact CG-CZ 3.5Å; F188-R192 WeakPolarHBondContact O-CB 3.44Å; F188-R192 PolarHBondContact O-N 3.03Å; A189-R192 WeakPolarHBondContact O-CB 3.38Å; A189-R192 PolarHBondContact O-N 3.09Å; L190-R192 PolarHBondContact O-N 2.79Å; R192-F196 VanDerWaalsContact CA-CE1 3.43Å; R192-F196 HydrophobicContact CB-CE1 3.7Å; R192-F196 HydrophobicContact CB-CE2 4.36Å; R192-F196 HydrophobicContact CB-CZ 3.52Å; R192-F196 HydrophobicContact CG-CE1 4.33Å; R192-F196 HydrophobicContact CG-CE2 4.1Å; R192-F196 HydrophobicContact CG-CZ 3.7Å
193	Y	95.5	Very high	95.7	Very high	189 Å²	189	43.7 Å²	43.7	74%	0.741	22%	0.221	S	C	*	.	H	α-helix	trans	-67.3	-43.9	178.7	174.2	-100.6	0	0	0	112.1	A189 L190 G195	A189-Y193 PolarHBondContact O-N 3.2Å; L190-Y193 HydrophobicContact CD1-CD1 4.4Å; L190-Y193 WeakPolarHBondContact O-CB 2.96Å; L190-Y193 PolarHBondContact O-N 2.98Å; Y193-G195 VanDerWaalsContact C-N 3.31Å
194	L	95.4	Very high	95.6	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-72.5	-27.2	177.6	-60	174.6	0	0	0	112	L190 R198 W201 V202 E242 E243	L190-L194 HydrophobicContact CD1-CD1 4.03Å; L190-L194 HydrophobicContact CD1-CD2 4.4Å; L190-L194 HydrophobicContact CD1-CG 4.02Å; L190-L194 HydrophobicContact CG-CD1 3.9Å; L190-L194 HydrophobicContact CG-CG 4.3Å; L190-L194 WeakPolarHBondContact O-CG 3.38Å; L190-L194 PolarHBondContact O-N 3.31Å; L194-R198 WeakPolarHBondContact O-CD 3.47Å; L194-R198 PolarHBondContact O-NH1 3.19Å; L194-W201 HydrophobicContact CD1-CZ3 4.46Å; L194-V202 HydrophobicContact CB-CG1 4.2Å; L194-V202 HydrophobicContact CD1-CG1 4.22Å; L194-E242 HydrophobicContact CD2-CB 4.19Å; L194-E242 HydrophobicContact CD2-CG 4.27Å; L194-E243 HydrophobicContact CD1-CG 3.69Å
195	G	95	Very high	95.4	Very high	16 Å²	16	47.7 Å²	47.7	17%	0.165	24%	0.244	C	C	.	.			trans	107.1	126.4	179.4	0	0	0	0	0	111.2	S191 Y193 R198	S191-G195 CarbonylContact O-C 3.27Å; S191-G195 VanDerWaalsContact O-C 3.27Å; S191-G195 WeakPolarHBondContact O-CA 3.46Å; S191-G195 PolarHBondContact O-N 3Å; Y193-G195 VanDerWaalsContact C-N 3.31Å; G195-R198 WeakPolarHBondContact O-CG 3.45Å
196	F	95.3	Very high	95	Very high	53 Å²	53	49.2 Å²	49.2	23%	0.232	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	143	-178.4	-58.1	-47.4	0	0	0	112.6	F188 R192 R198 Y203 P206	F188-F196 HydrophobicContact CE1-CZ 4.29Å; F188-F196 HydrophobicContact CE2-CE1 4.05Å; F188-F196 HydrophobicContact CE2-CZ 4.03Å; F188-F196 HydrophobicContact CZ-CE1 4.21Å; F188-F196 AromaticContact CZ-CZ 3.74Å; F188-F196 HydrophobicContact CZ-CZ 3.74Å; R192-F196 VanDerWaalsContact CA-CE1 3.43Å; R192-F196 HydrophobicContact CB-CE1 3.7Å; R192-F196 HydrophobicContact CB-CE2 4.36Å; R192-F196 HydrophobicContact CB-CZ 3.52Å; R192-F196 HydrophobicContact CG-CE1 4.33Å; R192-F196 HydrophobicContact CG-CE2 4.1Å; R192-F196 HydrophobicContact CG-CZ 3.7Å; F196-R198 PolarHBondContact O-N 2.76Å; F196-Y203 WeakPolarHBondContact CA-O 3.44Å; F196-Y203 HydrophobicContact CD1-CD1 4.06Å; F196-Y203 HydrophobicContact CD1-CG 4.45Å; F196-Y203 HydrophobicContact CE1-CD1 4.23Å; F196-Y203 HydrophobicContact CG-CD1 4.49Å; F196-P206 HydrophobicContact CB-CG 4.48Å; F196-P206 HydrophobicContact CD2-CG 3.54Å; F196-P206 HydrophobicContact CE2-CG 3.95Å; F196-P206 HydrophobicContact CG-CG 4.18Å
197	G	92.6	Very high	94.7	Very high	39 Å²	39	49 Å²	49	40%	0.402	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	14.2	176.6	0	0	0	0	0	116.2	D199 Y203	G197-D199 VanDerWaalsContact C-N 3.33Å; G197-Y203 PolarHBondContact N-O 2.93Å
198	R	93	Very high	94.4	Very high	186 Å²	186	53.4 Å²	53.4	70%	0.702	29%	0.286	S	S	*	.	S	Bend	trans	-71.1	-28.5	178.7	-76.4	-157.7	177.4	158.2	-5.6	114	L194 G195 F196	L194-R198 WeakPolarHBondContact O-CD 3.47Å; L194-R198 PolarHBondContact O-NH1 3.19Å; G195-R198 WeakPolarHBondContact O-CG 3.45Å; F196-R198 PolarHBondContact O-N 2.76Å
199	D	94	Very high	93.9	Very high	40 Å²	40	59.1 Å²	59.1	21%	0.214	32%	0.323	C	S	.	.	S	Bend	trans	-148.4	-177.4	175.5	52.4	62.4	0	0	0	109.3	G197 W201 V202 A239	G197-D199 VanDerWaalsContact C-N 3.33Å; D199-W201 VanDerWaalsContact C-N 3.3Å; D199-W201 WeakPolarHBondContact OD1-CA 3.4Å; D199-W201 WeakPolarHBondContact OD1-CB 3.49Å; D199-W201 PolarHBondContact OD1-N 3.13Å; D199-V202 PolarHBondContact OD1-N 2.98Å; D199-A239 HydrophobicContact CB-CB 4.17Å
200	A	92.6	Very high	93.5	Very high	75 Å²	75	58.8 Å²	58.8	62%	0.62	32%	0.323	S	S	*	.	S	Bend	trans	-76.7	-16	-178.4	0	0	0	0	0	113.5	P236	A200-P236 HydrophobicContact CB-CB 4.18Å; A200-P236 WeakPolarHBondContact O-CB 3.19Å; A200-P236 WeakPolarHBondContact O-CG 3.32Å
201	W	95.3	Very high	93.2	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.321	C	S	.	.	S	Bend	trans	-86.8	-43	-175.1	-176	91.8	0	0	0	112.1	Y187 L190 L194 D199 F224 P238 E243 F246 M247	Y187-W201 AromaticContact CD2-CH2 3.6Å; Y187-W201 HydrophobicContact CD2-CH2 3.6Å; Y187-W201 AromaticContact CD2-CZ2 3.89Å; Y187-W201 HydrophobicContact CD2-CZ2 3.89Å; Y187-W201 HydrophobicContact CD2-CZ3 4.1Å; Y187-W201 HydrophobicContact CE2-CD2 4.38Å; Y187-W201 HydrophobicContact CE2-CE3 4.21Å; Y187-W201 AromaticContact CE2-CH2 3.8Å; Y187-W201 HydrophobicContact CE2-CH2 3.8Å; Y187-W201 AromaticContact CE2-CZ2 3.97Å; Y187-W201 HydrophobicContact CE2-CZ2 3.97Å; Y187-W201 AromaticContact CE2-CZ3 3.92Å; Y187-W201 HydrophobicContact CE2-CZ3 3.92Å; Y187-W201 PolarHBondContact OH-O 3.06Å; L190-W201 HydrophobicContact CD2-CH2 4.02Å; L190-W201 HydrophobicContact CD2-CZ3 4.31Å; L194-W201 HydrophobicContact CD1-CZ3 4.46Å; D199-W201 VanDerWaalsContact C-N 3.3Å; D199-W201 WeakPolarHBondContact OD1-CA 3.4Å; D199-W201 WeakPolarHBondContact OD1-CB 3.49Å; D199-W201 PolarHBondContact OD1-N 3.13Å; W201-F224 AromaticContact CE2-CZ 3.72Å; W201-F224 HydrophobicContact CZ2-CE1 4.13Å; W201-F224 AromaticContact CZ2-CZ 3.93Å; W201-F224 HydrophobicContact CZ2-CZ 3.93Å; W201-F224 AromaticContact NE1-CZ 3.49Å; W201-P238 HydrophobicContact CG-CB 4.42Å; W201-E243 HydrophobicContact CD2-CB 3.99Å; W201-E243 HydrophobicContact CD2-CG 3.97Å; W201-E243 HydrophobicContact CE3-CB 3.98Å; W201-E243 HydrophobicContact CE3-CG 3.48Å; W201-E243 VanDerWaalsContact CE3-CG 3.48Å; W201-E243 HydrophobicContact CH2-CB 4.47Å; W201-E243 HydrophobicContact CH2-CG 4.42Å; W201-E243 HydrophobicContact CZ2-CB 4.47Å; W201-E243 HydrophobicContact CZ3-CB 4.22Å; W201-E243 HydrophobicContact CZ3-CG 3.74Å; W201-F246 AromaticContact CH2-CD1 3.75Å; W201-F246 HydrophobicContact CH2-CD1 3.75Å; W201-F246 HydrophobicContact CH2-CE1 4.21Å; W201-F246 HydrophobicContact CH2-CG 4.26Å; W201-F246 AromaticContact CZ2-CD1 3.59Å; W201-F246 HydrophobicContact CZ2-CD1 3.59Å; W201-F246 HydrophobicContact CZ2-CE1 4.12Å; W201-F246 HydrophobicContact CZ2-CG 4.41Å; W201-M247 HydrophobicContact CZ2-CG 4.25Å; W201-M247 HydrophobicContact CZ2-SD 4.09Å; W201-M247 PolarHBondContact NE1-SD 3.16Å
202	V	96.1	Very high	92.8	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.012	34%	0.341	C	S	.	.	S	Bend	trans	-66.3	159.4	178.4	-63.4	0	0	0	0	112.4	L194 D199	L194-V202 HydrophobicContact CB-CG1 4.2Å; L194-V202 HydrophobicContact CD1-CG1 4.22Å; D199-V202 PolarHBondContact OD1-N 2.98Å
203	Y	95.6	Very high	92.7	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-51.6	133.3	172.6	-174.4	-98.4	0	0	0	111.6	Y187 F188 S191 F196 G197 P206 F211 Q217 Y220	Y187-Y203 PolarHBondContact OH-N 3.37Å; F188-Y203 HydrophobicContact CD2-CD2 4.32Å; F188-Y203 HydrophobicContact CD2-CG 4.18Å; F188-Y203 AromaticContact CE2-CD1 3.98Å; F188-Y203 HydrophobicContact CE2-CD1 3.98Å; F188-Y203 HydrophobicContact CE2-CD2 4.35Å; F188-Y203 HydrophobicContact CE2-CE1 4.3Å; F188-Y203 HydrophobicContact CE2-CG 4.02Å; S191-Y203 PolarHBondContact OG-N 2.92Å; S191-Y203 VanDerWaalsContact OG-N 3.07Å; F196-Y203 WeakPolarHBondContact CA-O 3.44Å; F196-Y203 HydrophobicContact CD1-CD1 4.06Å; F196-Y203 HydrophobicContact CD1-CG 4.45Å; F196-Y203 HydrophobicContact CE1-CD1 4.23Å; F196-Y203 HydrophobicContact CG-CD1 4.49Å; G197-Y203 PolarHBondContact N-O 2.93Å; Y203-P206 HydrophobicContact CE1-CG 4.45Å; Y203-F211 HydrophobicContact CE1-CB 4.21Å; Y203-F211 HydrophobicContact CE1-CD1 4.41Å; Y203-F211 HydrophobicContact CE2-CD1 4.27Å; Y203-F211 AromaticContact CZ-CD1 3.83Å; Y203-F211 PolarHBondContact OH-O 2.75Å; Y203-Q217 HydrophobicContact CE1-CG 3.83Å; Y203-Q217 HydrophobicContact CE2-CB 4.41Å; Y203-Q217 HydrophobicContact CE2-CG 4.36Å; Y203-Q217 WeakPolarHBondContact OH-CA 3.41Å; Y203-Q217 VanDerWaalsContact OH-CG 3.32Å; Y203-Q217 WeakPolarHBondContact OH-CG 3.29Å; Y203-Q217 PolarHBondContact OH-N 2.86Å; Y203-Y220 AromaticContact CD2-CD1 3.57Å; Y203-Y220 HydrophobicContact CD2-CD1 3.57Å; Y203-Y220 HydrophobicContact CD2-CE1 4.12Å; Y203-Y220 HydrophobicContact CD2-CG 4.16Å; Y203-Y220 AromaticContact CE2-CD1 3.81Å; Y203-Y220 HydrophobicContact CE2-CD1 3.81Å; Y203-Y220 AromaticContact CE2-CG 3.9Å; Y203-Y220 HydrophobicContact CE2-CG 3.9Å
204	P	94.9	Very high	92.5	Very high	23 Å²	23	56.4 Å²	56.4	15%	0.149	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-57.4	152.5	-179.3	-28.8	37.7	0	0	0	113.2	P206 F211	P204-P206 VanDerWaalsContact O-CD 3.31Å; P204-P206 WeakPolarHBondContact O-CD 3.3Å; P204-F211 HydrophobicContact CB-CD1 3.69Å; P204-F211 HydrophobicContact CB-CD2 4.28Å; P204-F211 HydrophobicContact CB-CE1 3.76Å; P204-F211 HydrophobicContact CB-CE2 4.31Å; P204-F211 HydrophobicContact CB-CG 3.96Å; P204-F211 HydrophobicContact CB-CZ 4.06Å; P204-F211 HydrophobicContact CG-CD1 3.86Å; P204-F211 HydrophobicContact CG-CE1 3.52Å; P204-F211 HydrophobicContact CG-CZ 3.99Å
205	D	93.1	Very high	92.4	Very high	68 Å²	68	65.3 Å²	65.3	36%	0.364	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-57.3	121.7	-178.7	-172.9	-10	0	0	0	111.1	A207 Q208	D205-A207 PolarHBondContact O-N 3.24Å; D205-A207 WeakPolarHBondContact OD1-CB 3.39Å; D205-A207 PolarHBondContact OD1-N 2.87Å; D205-Q208 HydrophobicContact CB-CG 4.36Å; D205-Q208 WeakPolarHBondContact O-CB 3.37Å; D205-Q208 PolarHBondContact O-N 3.2Å
206	P	90.9	Very high	92.4	Very high	33 Å²	33	70.4 Å²	70.4	21%	0.214	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-17.1	175	-25.9	34.9	0	0	0	114.7	F196 Y203 P204 Q208	F196-P206 HydrophobicContact CB-CG 4.48Å; F196-P206 HydrophobicContact CD2-CG 3.54Å; F196-P206 HydrophobicContact CE2-CG 3.95Å; F196-P206 HydrophobicContact CG-CG 4.18Å; Y203-P206 HydrophobicContact CE1-CG 4.45Å; P204-P206 VanDerWaalsContact O-CD 3.31Å; P204-P206 WeakPolarHBondContact O-CD 3.3Å; P206-Q208 PolarHBondContact O-N 3.25Å
207	A	90.2	Very high	92.3	Very high	86 Å²	86	68.3 Å²	68.3	71%	0.711	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-19.4	171.9	0	0	0	0	0	113	D205	D205-A207 PolarHBondContact O-N 3.24Å; D205-A207 WeakPolarHBondContact OD1-CB 3.39Å; D205-A207 PolarHBondContact OD1-N 2.87Å
208	Q	89.7	Confident	92.5	Very high	94 Å²	94	69 Å²	69	44%	0.439	35%	0.347	S	S	.	.	S	Bend	trans	-75.7	136.9	175	-62.6	179.7	27.6	0	0	110.9	D205 P206 G210 F211	D205-Q208 HydrophobicContact CB-CG 4.36Å; D205-Q208 WeakPolarHBondContact O-CB 3.37Å; D205-Q208 PolarHBondContact O-N 3.2Å; P206-Q208 PolarHBondContact O-N 3.25Å; Q208-G210 PolarHBondContact O-N 2.95Å; Q208-F211 HydrophobicContact CB-CD2 3.89Å; Q208-F211 PolarHBondContact O-N 2.89Å; Q208-F211 VanDerWaalsContact O-N 3.14Å
209	P	88.5	Confident	92.7	Very high	124 Å²	124	65.5 Å²	65.5	81%	0.805	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	123	-175.2	24.2	-33.3	0	0	0	111.5
210	G	86.6	Confident	92.8	Very high	26 Å²	26	66 Å²	66	27%	0.268	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.4	-20.1	178.2	0	0	0	0	0	114.3	Q208 E212 R216	Q208-G210 PolarHBondContact O-N 2.95Å; G210-E212 WeakPolarHBondContact CA-OE2 3.37Å; G210-E212 PolarHBondContact N-OE2 2.78Å; G210-R216 WeakPolarHBondContact O-CB 3.45Å; G210-R216 VanDerWaalsContact O-CG 3.3Å; G210-R216 WeakPolarHBondContact O-CG 3.26Å
211	F	90.3	Very high	93	Very high	36 Å²	36	62.4 Å²	62.4	16%	0.158	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-6.7	178.3	-67.3	-84.6	0	0	0	113.1	Y203 P204 Q208 R213 R216 Y220	Y203-F211 HydrophobicContact CE1-CB 4.21Å; Y203-F211 HydrophobicContact CE1-CD1 4.41Å; Y203-F211 HydrophobicContact CE2-CD1 4.27Å; Y203-F211 AromaticContact CZ-CD1 3.83Å; Y203-F211 PolarHBondContact OH-O 2.75Å; P204-F211 HydrophobicContact CB-CD1 3.69Å; P204-F211 HydrophobicContact CB-CD2 4.28Å; P204-F211 HydrophobicContact CB-CE1 3.76Å; P204-F211 HydrophobicContact CB-CE2 4.31Å; P204-F211 HydrophobicContact CB-CG 3.96Å; P204-F211 HydrophobicContact CB-CZ 4.06Å; P204-F211 HydrophobicContact CG-CD1 3.86Å; P204-F211 HydrophobicContact CG-CE1 3.52Å; P204-F211 HydrophobicContact CG-CZ 3.99Å; Q208-F211 HydrophobicContact CB-CD2 3.89Å; Q208-F211 PolarHBondContact O-N 2.89Å; Q208-F211 VanDerWaalsContact O-N 3.14Å; F211-R213 VanDerWaalsContact C-N 3.3Å; F211-R213 PolarHBondContact O-N 2.84Å; F211-R216 HydrophobicContact CD1-CG 4.43Å; F211-Y220 HydrophobicContact CE1-CD2 4.4Å
212	E	88.8	Confident	93	Very high	87 Å²	87	64.4 Å²	64.4	41%	0.407	32%	0.32	S	S	.	.	S	Bend	trans	-71.5	-24.2	174.9	75.5	-76.5	163.9	0	0	113.5	G210 L214 Q217	G210-E212 WeakPolarHBondContact CA-OE2 3.37Å; G210-E212 PolarHBondContact N-OE2 2.78Å; E212-L214 PolarHBondContact O-N 2.81Å; E212-Q217 PolarHBondContact O-NE2 2.88Å
213	R	92.6	Very high	93	Very high	147 Å²	147	70.9 Å²	70.9	56%	0.555	35%	0.345	S	S	*	.			trans	-78.2	127	-168.8	-59.5	176.8	-173.9	179.5	-4.1	111	F211 R215 R216 Q217	F211-R213 VanDerWaalsContact C-N 3.3Å; F211-R213 PolarHBondContact O-N 2.84Å; R213-R215 VanDerWaalsContact C-N 3.25Å; R213-R215 PolarHBondContact O-N 2.83Å; R213-R215 VanDerWaalsContact O-N 3.11Å; R213-R216 HydrophobicContact CB-CB 4.22Å; R213-R216 WeakPolarHBondContact O-CA 3.23Å; R213-R216 WeakPolarHBondContact O-CB 3.37Å; R213-R216 PolarHBondContact O-N 2.9Å; R213-Q217 PolarHBondContact O-N 2.88Å
214	L	92.3	Very high	93	Very high	45 Å²	45	71.1 Å²	71.1	24%	0.236	35%	0.346	C	S	.	.	H	α-helix	trans	-48.4	-43.2	175.5	177.3	62.2	0	0	0	113.8	F58 L61 E212 R216 Q217 Y218	F58-L214 HydrophobicContact CB-CD1 3.87Å; F58-L214 HydrophobicContact CD1-CD1 3.92Å; F58-L214 HydrophobicContact CG-CD1 4.2Å; L61-L214 HydrophobicContact CB-CD1 4.42Å; L61-L214 HydrophobicContact CB-CD2 3.94Å; L61-L214 HydrophobicContact CD1-CD2 3.85Å; L61-L214 HydrophobicContact CG-CD2 4.5Å; E212-L214 PolarHBondContact O-N 2.81Å; L214-R216 VanDerWaalsContact C-N 3.3Å; L214-R216 PolarHBondContact O-N 3.05Å; L214-Q217 WeakPolarHBondContact O-CB 3.44Å; L214-Q217 PolarHBondContact O-N 3.12Å; L214-Y218 PolarHBondContact O-N 2.94Å
215	R	93.2	Very high	93	Very high	191 Å²	191	70 Å²	70	72%	0.721	34%	0.339	S	S	*	.	H	α-helix	trans	-60.8	-39.5	176.7	-66.2	-175.4	-62.4	-166.6	-0.7	112.2	R213 L219	R213-R215 VanDerWaalsContact C-N 3.25Å; R213-R215 PolarHBondContact O-N 2.83Å; R213-R215 VanDerWaalsContact O-N 3.11Å; R215-L219 VanDerWaalsContact O-CB 3.31Å; R215-L219 WeakPolarHBondContact O-CB 3.14Å; R215-L219 WeakPolarHBondContact O-CG 3.26Å; R215-L219 PolarHBondContact O-N 2.98Å
216	R	94.1	Very high	93.1	Very high	124 Å²	124	68.6 Å²	68.6	47%	0.468	33%	0.333	S	S	.	.	H	α-helix	trans	-69	-43.1	177.7	-178.4	66.5	168.1	-175.6	-1.1	110.5	G210 F211 R213 L214 Y218 L219 Y220	G210-R216 WeakPolarHBondContact O-CB 3.45Å; G210-R216 VanDerWaalsContact O-CG 3.3Å; G210-R216 WeakPolarHBondContact O-CG 3.26Å; F211-R216 HydrophobicContact CD1-CG 4.43Å; R213-R216 HydrophobicContact CB-CB 4.22Å; R213-R216 WeakPolarHBondContact O-CA 3.23Å; R213-R216 WeakPolarHBondContact O-CB 3.37Å; R213-R216 PolarHBondContact O-N 2.9Å; L214-R216 VanDerWaalsContact C-N 3.3Å; L214-R216 PolarHBondContact O-N 3.05Å; R216-Y218 PolarHBondContact O-N 3.47Å; R216-L219 PolarHBondContact O-N 3.14Å; R216-Y220 WeakPolarHBondContact O-CB 3.42Å; R216-Y220 PolarHBondContact O-N 3.48Å
217	Q	95	Very high	93.3	Very high	8 Å²	8	68 Å²	68	4%	0.037	33%	0.328	C	S	.	.	H	α-helix	trans	-55.8	-50.6	176.3	-66.4	170.2	-0.6	0	0	111.4	F58 F188 Y203 E212 R213 L214 S221	F58-Q217 HydrophobicContact CD1-CB 4.29Å; F58-Q217 HydrophobicContact CE1-CB 3.94Å; F188-Q217 HydrophobicContact CD2-CB 4.28Å; F188-Q217 HydrophobicContact CE2-CB 3.62Å; F188-Q217 HydrophobicContact CE2-CG 3.79Å; F188-Q217 HydrophobicContact CZ-CB 4Å; F188-Q217 HydrophobicContact CZ-CG 4.01Å; Y203-Q217 HydrophobicContact CE1-CG 3.83Å; Y203-Q217 HydrophobicContact CE2-CB 4.41Å; Y203-Q217 HydrophobicContact CE2-CG 4.36Å; Y203-Q217 WeakPolarHBondContact OH-CA 3.41Å; Y203-Q217 VanDerWaalsContact OH-CG 3.32Å; Y203-Q217 WeakPolarHBondContact OH-CG 3.29Å; Y203-Q217 PolarHBondContact OH-N 2.86Å; E212-Q217 PolarHBondContact O-NE2 2.88Å; R213-Q217 PolarHBondContact O-N 2.88Å; L214-Q217 WeakPolarHBondContact O-CB 3.44Å; L214-Q217 PolarHBondContact O-N 3.12Å; Q217-S221 WeakPolarHBondContact O-CB 3.47Å; Q217-S221 PolarHBondContact O-N 3.43Å; Q217-S221 VanDerWaalsContact O-N 3.1Å; Q217-S221 PolarHBondContact O-OG 3.26Å
218	Y	96.6	Very high	93.4	Very high	55 Å²	55	63.9 Å²	63.9	22%	0.216	29%	0.294	C	S	.	.	H	α-helix	trans	-63.6	-52.2	177.7	-179.8	-98.2	0	0	0	112.2	F58 H181 L214 R216 Y220 S221 F222	F58-Y218 AromaticContact CE2-CD2 3.89Å; F58-Y218 HydrophobicContact CE2-CD2 3.89Å; F58-Y218 HydrophobicContact CZ-CD2 4Å; H181-Y218 AromaticContact CE1-CE2 3.7Å; H181-Y218 AromaticContact ND1-CE2 3.56Å; H181-Y218 AromaticContact ND1-CZ 3.68Å; H181-Y218 PolarHBondContact ND1-OH 2.85Å; L214-Y218 PolarHBondContact O-N 2.94Å; R216-Y218 PolarHBondContact O-N 3.47Å; Y218-Y220 VanDerWaalsContact C-N 3.34Å; Y218-Y220 PolarHBondContact O-N 2.67Å; Y218-S221 PolarHBondContact O-N 3.05Å; Y218-F222 HydrophobicContact CE1-CB 4.41Å; Y218-F222 HydrophobicContact CE1-CD2 4.37Å; Y218-F222 AromaticContact CZ-CD2 3.98Å; Y218-F222 VanDerWaalsContact O-CB 3.3Å; Y218-F222 WeakPolarHBondContact O-CB 3.19Å; Y218-F222 PolarHBondContact O-N 2.86Å
219	L	96.4	Very high	93.5	Very high	112 Å²	112	60.4 Å²	60.4	59%	0.586	28%	0.279	S	S	*	.	H	α-helix	trans	-64.2	-37.5	-176.2	-71.9	174.4	0	0	0	112.9	R215 R216 Y223	R215-L219 VanDerWaalsContact O-CB 3.31Å; R215-L219 WeakPolarHBondContact O-CB 3.14Å; R215-L219 WeakPolarHBondContact O-CG 3.26Å; R215-L219 PolarHBondContact O-N 2.98Å; R216-L219 PolarHBondContact O-N 3.14Å; L219-Y223 VanDerWaalsContact O-CB 3.22Å; L219-Y223 WeakPolarHBondContact O-CB 3.39Å; L219-Y223 PolarHBondContact O-N 3.19Å
220	Y	95.5	Very high	93.7	Very high	50 Å²	50	57.3 Å²	57.3	20%	0.196	26%	0.257	C	S	.	.	H	α-helix	trans	-65.6	-47.2	175.6	-177.9	-82.7	0	0	0	111	Y187 Y203 F211 R216 Y218 F222 Y223 F224	Y187-Y220 HydrophobicContact CE1-CD1 4.41Å; Y187-Y220 HydrophobicContact CE1-CE1 4.38Å; Y203-Y220 AromaticContact CD2-CD1 3.57Å; Y203-Y220 HydrophobicContact CD2-CD1 3.57Å; Y203-Y220 HydrophobicContact CD2-CE1 4.12Å; Y203-Y220 HydrophobicContact CD2-CG 4.16Å; Y203-Y220 AromaticContact CE2-CD1 3.81Å; Y203-Y220 HydrophobicContact CE2-CD1 3.81Å; Y203-Y220 AromaticContact CE2-CG 3.9Å; Y203-Y220 HydrophobicContact CE2-CG 3.9Å; F211-Y220 HydrophobicContact CE1-CD2 4.4Å; R216-Y220 WeakPolarHBondContact O-CB 3.42Å; R216-Y220 PolarHBondContact O-N 3.48Å; Y218-Y220 VanDerWaalsContact C-N 3.34Å; Y218-Y220 PolarHBondContact O-N 2.67Å; Y220-F222 VanDerWaalsContact C-N 3.31Å; Y220-F222 PolarHBondContact O-N 3.49Å; Y220-Y223 WeakPolarHBondContact O-CB 3.2Å; Y220-Y223 PolarHBondContact O-N 3.49Å; Y220-F224 WeakPolarHBondContact O-CB 3.36Å; Y220-F224 PolarHBondContact O-N 2.7Å
221	S	96.6	Very high	93.8	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.8	-41.2	178.6	-55.6	0	0	0	0	111.2	S184 Q217 Y218 F224 S225	S184-S221 WeakPolarHBondContact CB-O 3.5Å; S184-S221 WeakPolarHBondContact O-CB 3.38Å; Q217-S221 WeakPolarHBondContact O-CB 3.47Å; Q217-S221 PolarHBondContact O-N 3.43Å; Q217-S221 VanDerWaalsContact O-N 3.1Å; Q217-S221 PolarHBondContact O-OG 3.26Å; Y218-S221 PolarHBondContact O-N 3.05Å; S221-F224 PolarHBondContact O-N 3.18Å; S221-S225 WeakPolarHBondContact O-CB 3.47Å; S221-S225 PolarHBondContact O-N 2.88Å; S221-S225 PolarHBondContact O-OG 3.44Å; S221-S225 VanDerWaalsContact O-OG 3.13Å
222	F	96.9	Very high	93.8	Very high	42 Å²	42	62.3 Å²	62.3	18%	0.184	29%	0.286	C	S	.	.	H	α-helix	trans	-65.6	-41.2	176.5	-167.2	-88.2	0	0	0	111.9	F177 I180 H181 Y218 Y220 T226	F177-F222 HydrophobicContact CD2-CE2 4.38Å; F177-F222 AromaticContact CD2-CZ 3.97Å; F177-F222 HydrophobicContact CD2-CZ 3.97Å; F177-F222 HydrophobicContact CE2-CE2 4.04Å; F177-F222 AromaticContact CE2-CZ 3.84Å; F177-F222 HydrophobicContact CE2-CZ 3.84Å; I180-F222 HydrophobicContact CB-CE2 4.28Å; I180-F222 HydrophobicContact CB-CZ 4.35Å; I180-F222 HydrophobicContact CG2-CD1 4.42Å; I180-F222 HydrophobicContact CG2-CD2 3.99Å; I180-F222 HydrophobicContact CG2-CE1 4.07Å; I180-F222 HydrophobicContact CG2-CE2 3.62Å; I180-F222 HydrophobicContact CG2-CG 4.38Å; I180-F222 HydrophobicContact CG2-CZ 3.66Å; H181-F222 HydrophobicContact CB-CE2 4.35Å; Y218-F222 HydrophobicContact CE1-CB 4.41Å; Y218-F222 HydrophobicContact CE1-CD2 4.37Å; Y218-F222 AromaticContact CZ-CD2 3.98Å; Y218-F222 VanDerWaalsContact O-CB 3.3Å; Y218-F222 WeakPolarHBondContact O-CB 3.19Å; Y218-F222 PolarHBondContact O-N 2.86Å; Y220-F222 VanDerWaalsContact C-N 3.31Å; Y220-F222 PolarHBondContact O-N 3.49Å; F222-T226 VanDerWaalsContact O-CB 3.31Å; F222-T226 WeakPolarHBondContact O-CB 3.33Å; F222-T226 PolarHBondContact O-N 3.1Å; F222-T226 PolarHBondContact O-OG1 3.43Å
223	Y	95.6	Very high	93.2	Very high	138 Å²	138	59.9 Å²	59.9	54%	0.541	28%	0.284	S	S	.	.	H	α-helix	trans	-60.9	-48.5	174	171.9	-102.5	0	0	0	111.6	L219 Y220 T226 L227	L219-Y223 VanDerWaalsContact O-CB 3.22Å; L219-Y223 WeakPolarHBondContact O-CB 3.39Å; L219-Y223 PolarHBondContact O-N 3.19Å; Y220-Y223 WeakPolarHBondContact O-CB 3.2Å; Y220-Y223 PolarHBondContact O-N 3.49Å; Y223-T226 WeakPolarHBondContact O-CB 3.43Å; Y223-T226 PolarHBondContact O-N 3.42Å; Y223-L227 HydrophobicContact CD1-CD1 4.13Å; Y223-L227 HydrophobicContact CE1-CD1 3.46Å; Y223-L227 VanDerWaalsContact CE1-CD1 3.46Å; Y223-L227 HydrophobicContact CE1-CG 4.27Å; Y223-L227 HydrophobicContact CE2-CD1 4.2Å; Y223-L227 HydrophobicContact CE2-CD2 4.34Å; Y223-L227 HydrophobicContact CE2-CG 4.22Å; Y223-L227 PolarHBondContact O-N 3.46Å
224	F	95.5	Very high	92.8	Very high	4 Å²	4	59.3 Å²	59.3	2%	0.018	29%	0.292	C	S	.	.	H	α-helix	trans	-56.6	-53	176.9	178.9	-90	0	0	0	111.7	Y187 W201 Y220 S221 T226 L227 I228 T235 M247	Y187-F224 HydrophobicContact CD1-CD1 4.02Å; Y187-F224 HydrophobicContact CD1-CG 4.47Å; Y187-F224 AromaticContact CD2-CD1 3.54Å; Y187-F224 HydrophobicContact CD2-CD1 3.54Å; Y187-F224 AromaticContact CD2-CE1 3.29Å; Y187-F224 HydrophobicContact CD2-CE1 3.29Å; Y187-F224 HydrophobicContact CD2-CG 4.41Å; Y187-F224 HydrophobicContact CD2-CZ 4.01Å; Y187-F224 HydrophobicContact CE1-CB 4.35Å; Y187-F224 HydrophobicContact CE1-CD1 4.11Å; Y187-F224 HydrophobicContact CE1-CG 4.18Å; Y187-F224 AromaticContact CE2-CD1 3.65Å; Y187-F224 HydrophobicContact CE2-CD1 3.65Å; Y187-F224 HydrophobicContact CE2-CD2 4.34Å; Y187-F224 AromaticContact CE2-CE1 3.39Å; Y187-F224 HydrophobicContact CE2-CE1 3.39Å; Y187-F224 HydrophobicContact CE2-CE2 4.12Å; Y187-F224 HydrophobicContact CE2-CG 4.12Å; Y187-F224 AromaticContact CE2-CZ 3.66Å; Y187-F224 HydrophobicContact CE2-CZ 3.66Å; Y187-F224 AromaticContact CG-CD1 3.73Å; Y187-F224 HydrophobicContact CG-CD1 3.73Å; Y187-F224 AromaticContact CG-CE1 3.95Å; Y187-F224 HydrophobicContact CG-CE1 3.95Å; Y187-F224 AromaticContact CZ-CD1 3.93Å; Y187-F224 AromaticContact CZ-CG 3.99Å; W201-F224 AromaticContact CE2-CZ 3.72Å; W201-F224 HydrophobicContact CZ2-CE1 4.13Å; W201-F224 AromaticContact CZ2-CZ 3.93Å; W201-F224 HydrophobicContact CZ2-CZ 3.93Å; W201-F224 AromaticContact NE1-CZ 3.49Å; Y220-F224 WeakPolarHBondContact O-CB 3.36Å; Y220-F224 PolarHBondContact O-N 2.7Å; S221-F224 PolarHBondContact O-N 3.18Å; F224-T226 VanDerWaalsContact C-N 3.28Å; F224-T226 PolarHBondContact O-N 2.89Å; F224-L227 PolarHBondContact O-N 2.87Å; F224-I228 HydrophobicContact CD1-CD1 3.75Å; F224-I228 HydrophobicContact CE1-CD1 3.17Å; F224-I228 HydrophobicContact CE1-CG1 4.47Å; F224-I228 HydrophobicContact CE2-CD1 4.29Å; F224-I228 HydrophobicContact CG-CD1 4.49Å; F224-I228 HydrophobicContact CZ-CD1 3.49Å; F224-I228 VanDerWaalsContact CZ-CD1 3.49Å; F224-I228 PolarHBondContact O-N 3.22Å; F224-T235 HydrophobicContact CD2-CG2 3.88Å; F224-T235 HydrophobicContact CE2-CG2 3.77Å; F224-T235 HydrophobicContact CZ-CG2 4.4Å; F224-M247 HydrophobicContact CZ-SD 4.15Å
225	S	95.6	Very high	92.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.1	-36	177.1	-65.8	0	0	0	0	113.2	N183 S184 S221 I228 L229	N183-S225 WeakPolarHBondContact OD1-CB 3.44Å; N183-S225 PolarHBondContact OD1-OG 3.31Å; S184-S225 WeakPolarHBondContact CA-OG 3.23Å; S184-S225 PolarHBondContact N-OG 2.8Å; S221-S225 WeakPolarHBondContact O-CB 3.47Å; S221-S225 PolarHBondContact O-N 2.88Å; S221-S225 PolarHBondContact O-OG 3.44Å; S221-S225 VanDerWaalsContact O-OG 3.13Å; S225-I228 PolarHBondContact O-N 3.29Å; S225-L229 WeakPolarHBondContact O-CB 3.43Å; S225-L229 WeakPolarHBondContact O-CG 3.43Å; S225-L229 PolarHBondContact O-N 3.21Å
226	T	94.4	Very high	92.4	Very high	39 Å²	39	51.3 Å²	51.3	24%	0.239	27%	0.267	C	S	.	.	H	α-helix	trans	-63.1	-49.9	176.3	-60.2	0	0	0	0	110.3	I180 F222 Y223 F224 I228 L229 T230	I180-T226 WeakPolarHBondContact CG2-OG1 3.45Å; F222-T226 VanDerWaalsContact O-CB 3.31Å; F222-T226 WeakPolarHBondContact O-CB 3.33Å; F222-T226 PolarHBondContact O-N 3.1Å; F222-T226 PolarHBondContact O-OG1 3.43Å; Y223-T226 WeakPolarHBondContact O-CB 3.43Å; Y223-T226 PolarHBondContact O-N 3.42Å; F224-T226 VanDerWaalsContact C-N 3.28Å; F224-T226 PolarHBondContact O-N 2.89Å; T226-I228 PolarHBondContact O-N 3.43Å; T226-L229 PolarHBondContact O-N 3.43Å; T226-T230 HydrophobicContact CG2-CG2 3.98Å; T226-T230 WeakPolarHBondContact O-CB 3.22Å; T226-T230 WeakPolarHBondContact O-CG2 3.35Å; T226-T230 PolarHBondContact O-N 2.96Å; T226-T230 PolarHBondContact O-OG1 2.73Å
227	L	94.1	Very high	92.2	Very high	20 Å²	20	52.4 Å²	52.4	11%	0.105	28%	0.281	C	S	.	.	H	α-helix	trans	-55.9	-38.7	-179.9	-72.9	176.7	0	0	0	113	Y223 F224 T231 V232 G233 T235	Y223-L227 HydrophobicContact CD1-CD1 4.13Å; Y223-L227 HydrophobicContact CE1-CD1 3.46Å; Y223-L227 VanDerWaalsContact CE1-CD1 3.46Å; Y223-L227 HydrophobicContact CE1-CG 4.27Å; Y223-L227 HydrophobicContact CE2-CD1 4.2Å; Y223-L227 HydrophobicContact CE2-CD2 4.34Å; Y223-L227 HydrophobicContact CE2-CG 4.22Å; Y223-L227 PolarHBondContact O-N 3.46Å; F224-L227 PolarHBondContact O-N 2.87Å; L227-T231 PolarHBondContact O-N 2.79Å; L227-V232 HydrophobicContact CD2-CB 4.01Å; L227-V232 HydrophobicContact CD2-CG1 3.87Å; L227-V232 PolarHBondContact O-N 2.73Å; L227-G233 PolarHBondContact O-N 3.43Å; L227-G233 VanDerWaalsContact O-N 3.12Å; L227-T235 HydrophobicContact CB-CG2 4.1Å; L227-T235 HydrophobicContact CD1-CG2 4.23Å
228	I	93	Very high	92.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-73.5	-52.6	179.2	-61.5	169.1	0	0	0	110.6	F224 S225 T226 T230 T231 T235 M247 D250 F251	F224-I228 HydrophobicContact CD1-CD1 3.75Å; F224-I228 HydrophobicContact CE1-CD1 3.17Å; F224-I228 HydrophobicContact CE1-CG1 4.47Å; F224-I228 HydrophobicContact CE2-CD1 4.29Å; F224-I228 HydrophobicContact CG-CD1 4.49Å; F224-I228 HydrophobicContact CZ-CD1 3.49Å; F224-I228 VanDerWaalsContact CZ-CD1 3.49Å; F224-I228 PolarHBondContact O-N 3.22Å; S225-I228 PolarHBondContact O-N 3.29Å; T226-I228 PolarHBondContact O-N 3.43Å; I228-T230 VanDerWaalsContact C-N 3.26Å; I228-T230 PolarHBondContact O-N 2.7Å; I228-T231 WeakPolarHBondContact O-CA 3.42Å; I228-T231 PolarHBondContact O-N 2.99Å; I228-T235 HydrophobicContact CD1-CG2 4.21Å; I228-T235 HydrophobicContact CG1-CG2 3.76Å; I228-M247 HydrophobicContact CD1-CE 3.88Å; I228-M247 HydrophobicContact CD1-SD 3.56Å; I228-M247 VanDerWaalsContact CD1-SD 3.56Å; I228-M247 HydrophobicContact CG1-CE 4.21Å; I228-M247 HydrophobicContact CG1-SD 4.49Å; I228-D250 HydrophobicContact CG2-CB 3.62Å; I228-F251 HydrophobicContact CG2-CD1 4.22Å; I228-F251 HydrophobicContact CG2-CE1 4.15Å
229	L	92.6	Very high	92	Very high	21 Å²	21	53.5 Å²	53.5	11%	0.11	30%	0.301	C	S	.	.	H	α-helix	trans	-70.7	-21.4	-175.2	-69.4	172.7	0	0	0	113.4	V179 I180 N183 S225 T226 T231 L253 A254	V179-L229 HydrophobicContact CG1-CD1 4.14Å; I180-L229 HydrophobicContact CB-CD1 4.19Å; I180-L229 HydrophobicContact CG1-CB 4.19Å; I180-L229 HydrophobicContact CG1-CD1 3.65Å; N183-L229 HydrophobicContact CB-CD1 3.82Å; S225-L229 WeakPolarHBondContact O-CB 3.43Å; S225-L229 WeakPolarHBondContact O-CG 3.43Å; S225-L229 PolarHBondContact O-N 3.21Å; T226-L229 PolarHBondContact O-N 3.43Å; L229-T231 VanDerWaalsContact C-N 3.34Å; L229-L253 HydrophobicContact CD2-CB 4.37Å; L229-L253 HydrophobicContact CD2-CD2 4.05Å; L229-L253 HydrophobicContact CD2-CG 4.11Å; L229-A254 HydrophobicContact CD2-CB 4.2Å
230	T	91.2	Very high	91.9	Very high	59 Å²	59	52.5 Å²	52.5	36%	0.362	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	6.8	169.7	65.9	0	0	0	0	113.1	T226 I228 V232	T226-T230 HydrophobicContact CG2-CG2 3.98Å; T226-T230 WeakPolarHBondContact O-CB 3.22Å; T226-T230 WeakPolarHBondContact O-CG2 3.35Å; T226-T230 PolarHBondContact O-N 2.96Å; T226-T230 PolarHBondContact O-OG1 2.73Å; I228-T230 VanDerWaalsContact C-N 3.26Å; I228-T230 PolarHBondContact O-N 2.7Å; T230-V232 PolarHBondContact O-N 2.53Å; T230-V232 VanDerWaalsContact O-N 3.17Å; T230-V232 WeakPolarHBondContact OG1-CG2 3.48Å
231	T	89.5	Confident	92	Very high	70 Å²	70	58.3 Å²	58.3	43%	0.429	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	24.4	177.4	66.4	0	0	0	0	115.1	L227 I228 L229 A254	L227-T231 PolarHBondContact O-N 2.79Å; I228-T231 WeakPolarHBondContact O-CA 3.42Å; I228-T231 PolarHBondContact O-N 2.99Å; L229-T231 VanDerWaalsContact C-N 3.34Å; T231-A254 HydrophobicContact CG2-CB 3.87Å
232	V	90.3	Very high	91.9	Very high	97 Å²	97	62 Å²	62	59%	0.588	34%	0.336	S	S	*	.			trans	-76	-38.9	174.3	176.4	0	0	0	0	110	L227 T230 D234	L227-V232 HydrophobicContact CD2-CB 4.01Å; L227-V232 HydrophobicContact CD2-CG1 3.87Å; L227-V232 PolarHBondContact O-N 2.73Å; T230-V232 PolarHBondContact O-N 2.53Å; T230-V232 VanDerWaalsContact O-N 3.17Å; T230-V232 WeakPolarHBondContact OG1-CG2 3.48Å; V232-D234 VanDerWaalsContact C-N 3.34Å; V232-D234 PolarHBondContact O-N 2.59Å
233	G	76.6	Confident	91.8	Very high	36 Å²	36	60 Å²	60	37%	0.371	33%	0.327	S	S	.	.			trans	74.7	8.4	161.9	0	0	0	0	0	117.4	L227 T235	L227-G233 PolarHBondContact O-N 3.43Å; L227-G233 VanDerWaalsContact O-N 3.12Å; G233-T235 PolarHBondContact O-N 2.83Å
234	D	83	Confident	91.8	Very high	134 Å²	134	59.5 Å²	59.5	72%	0.717	33%	0.325	S	S	*	.			trans	-79.9	64.2	175.4	-167.7	28.7	0	0	0	111.4	V232	V232-D234 VanDerWaalsContact C-N 3.34Å; V232-D234 PolarHBondContact O-N 2.59Å
235	T	87.7	Confident	91.8	Very high	23 Å²	23	65.7 Å²	65.7	14%	0.141	36%	0.358	C	S	.	.			trans	-118.1	149.6	179.7	55.6	0	0	0	0	111.3	F224 L227 I228 G233	F224-T235 HydrophobicContact CD2-CG2 3.88Å; F224-T235 HydrophobicContact CE2-CG2 3.77Å; F224-T235 HydrophobicContact CZ-CG2 4.4Å; L227-T235 HydrophobicContact CB-CG2 4.1Å; L227-T235 HydrophobicContact CD1-CG2 4.23Å; I228-T235 HydrophobicContact CD1-CG2 4.21Å; I228-T235 HydrophobicContact CG1-CG2 3.76Å; G233-T235 PolarHBondContact O-N 2.83Å
236	P	90.3	Very high	91.8	Very high	45 Å²	45	67.3 Å²	67.3	29%	0.292	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-52.6	149.1	172.8	-23.8	32.8	0	0	0	112	A200	A200-P236 HydrophobicContact CB-CB 4.18Å; A200-P236 WeakPolarHBondContact O-CB 3.19Å; A200-P236 WeakPolarHBondContact O-CG 3.32Å
237	L	90.4	Very high	91.8	Very high	148 Å²	148	65.9 Å²	65.9	78%	0.775	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-72.2	134	178.6	-67.8	166.5	0	0	0	110
238	P	94.1	Very high	91.8	Very high	16 Å²	16	68.9 Å²	68.9	10%	0.104	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-62.7	141.9	171.3	28	-34.4	0	0	0	109.9	W201 E243 Y244 M247	W201-P238 HydrophobicContact CG-CB 4.42Å; P238-E243 WeakPolarHBondContact CA-OE2 3.4Å; P238-E243 HydrophobicContact CB-CB 3.51Å; P238-Y244 HydrophobicContact CB-CD1 4.42Å; P238-Y244 HydrophobicContact CB-CD2 4.22Å; P238-Y244 HydrophobicContact CB-CE2 4.35Å; P238-Y244 HydrophobicContact CB-CG 4.25Å; P238-Y244 HydrophobicContact CG-CD1 3.65Å; P238-Y244 HydrophobicContact CG-CD2 4.23Å; P238-Y244 HydrophobicContact CG-CE1 3.6Å; P238-Y244 HydrophobicContact CG-CE2 4.18Å; P238-Y244 HydrophobicContact CG-CG 3.98Å; P238-Y244 WeakPolarHBondContact O-CE2 3.41Å; P238-Y244 PolarHBondContact O-OH 3.49Å; P238-M247 HydrophobicContact CB-CG 4.36Å; P238-M247 HydrophobicContact CG-CG 4.2Å
239	A	93.6	Very high	91.9	Very high	69 Å²	69	70.6 Å²	70.6	57%	0.57	39%	0.392	S	S	*	.			trans	-104.7	-26.4	178.7	0	0	0	0	0	112.3	D199 E243	D199-A239 HydrophobicContact CB-CB 4.17Å; A239-E243 PolarHBondContact N-OE2 2.9Å
240	R	94.3	Very high	92	Very high	91 Å²	91	70.1 Å²	70.1	34%	0.343	39%	0.39	S	S	.	.	S	Bend	trans	-116.5	156	-171.8	-47.9	-176.6	71.6	-148.8	-14.5	112.6	E242 E243 Y244	R240-E242 VanDerWaalsContact C-N 3.26Å; R240-E242 VanDerWaalsContact CB-OE2 3.27Å; R240-E242 WeakPolarHBondContact CB-OE2 3.44Å; R240-E242 IonicContact CZ-OE1 3.89Å; R240-E242 IonicContact CZ-OE2 3.93Å; R240-E242 IonicContact NE-OE2 3.96Å; R240-E242 IonicContact NH2-OE1 3.36Å; R240-E242 PolarHBondContact NH2-OE1 3.5Å; R240-E242 IonicContact NH2-OE2 3.95Å; R240-E242 PolarHBondContact O-N 3.41Å; R240-E243 HydrophobicContact CB-CG 4.12Å; R240-E243 WeakPolarHBondContact CD-OE1 3.46Å; R240-E243 WeakPolarHBondContact CG-OE1 3.34Å; R240-E243 PolarHBondContact N-OE2 2.85Å; R240-E243 VanDerWaalsContact N-OE2 3.09Å; R240-E243 WeakPolarHBondContact O-CB 3.31Å; R240-E243 PolarHBondContact O-N 3.28Å; R240-E243 VanDerWaalsContact O-N 3.09Å; R240-Y244 VanDerWaalsContact O-CD2 3.26Å; R240-Y244 WeakPolarHBondContact O-CD2 3.45Å; R240-Y244 PolarHBondContact O-N 3.44Å
241	E	95.7	Very high	92.1	Very high	172 Å²	172	71.5 Å²	71.5	80%	0.804	39%	0.391	S	S	*	.	H	α-helix	trans	-59.5	-36.8	-177.9	-64.8	-177.9	179.5	0	0	112.4	E243 Y244 L245	E241-E243 VanDerWaalsContact C-N 3.3Å; E241-E243 PolarHBondContact O-N 2.95Å; E241-Y244 PolarHBondContact O-N 3.41Å; E241-L245 PolarHBondContact O-N 3.39Å
242	E	95.1	Very high	92.3	Very high	77 Å²	77	73.3 Å²	73.3	36%	0.36	40%	0.398	S	S	.	.	H	α-helix	trans	-64.5	-36.5	177.9	-53.4	93.2	148.8	0	0	111.9	L194 R240 F246	L194-E242 HydrophobicContact CD2-CB 4.19Å; L194-E242 HydrophobicContact CD2-CG 4.27Å; R240-E242 VanDerWaalsContact C-N 3.26Å; R240-E242 VanDerWaalsContact CB-OE2 3.27Å; R240-E242 WeakPolarHBondContact CB-OE2 3.44Å; R240-E242 IonicContact CZ-OE1 3.89Å; R240-E242 IonicContact CZ-OE2 3.93Å; R240-E242 IonicContact NE-OE2 3.96Å; R240-E242 IonicContact NH2-OE1 3.36Å; R240-E242 PolarHBondContact NH2-OE1 3.5Å; R240-E242 IonicContact NH2-OE2 3.95Å; R240-E242 PolarHBondContact O-N 3.41Å; E242-F246 PolarHBondContact O-N 2.93Å; E242-F246 VanDerWaalsContact O-N 3.09Å
243	E	95.6	Very high	92.4	Very high	0 Å²	0	72 Å²	72	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-74.1	-41.5	178.8	-56.5	165.5	-168.4	0	0	110.5	L194 W201 P238 A239 R240 E241 L245 F246 M247	L194-E243 HydrophobicContact CD1-CG 3.69Å; W201-E243 HydrophobicContact CD2-CB 3.99Å; W201-E243 HydrophobicContact CD2-CG 3.97Å; W201-E243 HydrophobicContact CE3-CB 3.98Å; W201-E243 HydrophobicContact CE3-CG 3.48Å; W201-E243 VanDerWaalsContact CE3-CG 3.48Å; W201-E243 HydrophobicContact CH2-CB 4.47Å; W201-E243 HydrophobicContact CH2-CG 4.42Å; W201-E243 HydrophobicContact CZ2-CB 4.47Å; W201-E243 HydrophobicContact CZ3-CB 4.22Å; W201-E243 HydrophobicContact CZ3-CG 3.74Å; P238-E243 WeakPolarHBondContact CA-OE2 3.4Å; P238-E243 HydrophobicContact CB-CB 3.51Å; A239-E243 PolarHBondContact N-OE2 2.9Å; R240-E243 HydrophobicContact CB-CG 4.12Å; R240-E243 WeakPolarHBondContact CD-OE1 3.46Å; R240-E243 WeakPolarHBondContact CG-OE1 3.34Å; R240-E243 PolarHBondContact N-OE2 2.85Å; R240-E243 VanDerWaalsContact N-OE2 3.09Å; R240-E243 WeakPolarHBondContact O-CB 3.31Å; R240-E243 PolarHBondContact O-N 3.28Å; R240-E243 VanDerWaalsContact O-N 3.09Å; E241-E243 VanDerWaalsContact C-N 3.3Å; E241-E243 PolarHBondContact O-N 2.95Å; E243-L245 VanDerWaalsContact C-N 3.33Å; E243-L245 PolarHBondContact O-N 3.21Å; E243-F246 PolarHBondContact O-N 3.38Å; E243-M247 WeakPolarHBondContact O-CB 3.46Å; E243-M247 VanDerWaalsContact O-CG 3.24Å; E243-M247 WeakPolarHBondContact O-CG 3.45Å; E243-M247 PolarHBondContact O-N 3.33Å
244	Y	95.4	Very high	93.2	Very high	128 Å²	128	70.4 Å²	70.4	50%	0.502	37%	0.37	S	S	.	.	H	α-helix	trans	-58.4	-44.5	172	-84.9	-74.5	0	0	0	111.6	P238 R240 E241 F246 M247 V248	P238-Y244 HydrophobicContact CB-CD1 4.42Å; P238-Y244 HydrophobicContact CB-CD2 4.22Å; P238-Y244 HydrophobicContact CB-CE2 4.35Å; P238-Y244 HydrophobicContact CB-CG 4.25Å; P238-Y244 HydrophobicContact CG-CD1 3.65Å; P238-Y244 HydrophobicContact CG-CD2 4.23Å; P238-Y244 HydrophobicContact CG-CE1 3.6Å; P238-Y244 HydrophobicContact CG-CE2 4.18Å; P238-Y244 HydrophobicContact CG-CG 3.98Å; P238-Y244 WeakPolarHBondContact O-CE2 3.41Å; P238-Y244 PolarHBondContact O-OH 3.49Å; R240-Y244 VanDerWaalsContact O-CD2 3.26Å; R240-Y244 WeakPolarHBondContact O-CD2 3.45Å; R240-Y244 PolarHBondContact O-N 3.44Å; E241-Y244 PolarHBondContact O-N 3.41Å; Y244-F246 PolarHBondContact O-N 3.33Å; Y244-M247 PolarHBondContact O-N 3.32Å; Y244-V248 WeakPolarHBondContact O-CB 3.49Å; Y244-V248 VanDerWaalsContact O-CG2 3.27Å; Y244-V248 WeakPolarHBondContact O-CG2 3.43Å; Y244-V248 PolarHBondContact O-N 2.87Å
245	L	96.1	Very high	93.7	Very high	134 Å²	134	68.6 Å²	68.6	70%	0.702	36%	0.364	S	S	*	.	H	α-helix	trans	-63.5	-42.2	178.5	-175.3	64	0	0	0	111.7	E241 E243 G249	E241-L245 PolarHBondContact O-N 3.39Å; E243-L245 VanDerWaalsContact C-N 3.33Å; E243-L245 PolarHBondContact O-N 3.21Å; L245-G249 PolarHBondContact O-N 3.07Å
246	F	95.6	Very high	93.8	Very high	35 Å²	35	73.2 Å²	73.2	15%	0.154	39%	0.385	C	S	.	.	H	α-helix	trans	-61.2	-49.1	175.4	-175.3	-92.2	0	0	0	111.4	N183 L186 Y187 L190 W201 E242 E243 Y244 V248 G249 D250	N183-F246 WeakPolarHBondContact ND2-CZ 3.38Å; L186-F246 HydrophobicContact CB-CE2 4.08Å; Y187-F246 HydrophobicContact CD2-CE1 4.37Å; L190-F246 HydrophobicContact CD2-CB 3.87Å; L190-F246 HydrophobicContact CD2-CD2 3.77Å; L190-F246 HydrophobicContact CD2-CE2 4.5Å; L190-F246 HydrophobicContact CD2-CG 3.84Å; W201-F246 AromaticContact CH2-CD1 3.75Å; W201-F246 HydrophobicContact CH2-CD1 3.75Å; W201-F246 HydrophobicContact CH2-CE1 4.21Å; W201-F246 HydrophobicContact CH2-CG 4.26Å; W201-F246 AromaticContact CZ2-CD1 3.59Å; W201-F246 HydrophobicContact CZ2-CD1 3.59Å; W201-F246 HydrophobicContact CZ2-CE1 4.12Å; W201-F246 HydrophobicContact CZ2-CG 4.41Å; E242-F246 PolarHBondContact O-N 2.93Å; E242-F246 VanDerWaalsContact O-N 3.09Å; E243-F246 PolarHBondContact O-N 3.38Å; Y244-F246 PolarHBondContact O-N 3.33Å; F246-V248 PolarHBondContact O-N 2.68Å; F246-G249 PolarHBondContact O-N 3.13Å; F246-D250 WeakPolarHBondContact CE1-OD2 3.46Å; F246-D250 WeakPolarHBondContact CZ-OD2 3.41Å; F246-D250 PolarHBondContact O-N 3Å
247	M	94.5	Very high	93.7	Very high	9 Å²	9	72.2 Å²	72.2	4%	0.044	38%	0.383	C	S	.	.	H	α-helix	trans	-62.1	-42.2	178.7	-69.9	-65.1	-67.8	0	0	112.6	W201 F224 I228 P238 E243 Y244 D250 F251	W201-M247 HydrophobicContact CZ2-CG 4.25Å; W201-M247 HydrophobicContact CZ2-SD 4.09Å; W201-M247 PolarHBondContact NE1-SD 3.16Å; F224-M247 HydrophobicContact CZ-SD 4.15Å; I228-M247 HydrophobicContact CD1-CE 3.88Å; I228-M247 HydrophobicContact CD1-SD 3.56Å; I228-M247 VanDerWaalsContact CD1-SD 3.56Å; I228-M247 HydrophobicContact CG1-CE 4.21Å; I228-M247 HydrophobicContact CG1-SD 4.49Å; P238-M247 HydrophobicContact CB-CG 4.36Å; P238-M247 HydrophobicContact CG-CG 4.2Å; E243-M247 WeakPolarHBondContact O-CB 3.46Å; E243-M247 VanDerWaalsContact O-CG 3.24Å; E243-M247 WeakPolarHBondContact O-CG 3.45Å; E243-M247 PolarHBondContact O-N 3.33Å; Y244-M247 PolarHBondContact O-N 3.32Å; M247-D250 PolarHBondContact O-N 3.23Å; M247-F251 HydrophobicContact CB-CE2 4.38Å; M247-F251 HydrophobicContact CE-CE2 3.78Å; M247-F251 HydrophobicContact CE-CZ 3.76Å; M247-F251 WeakPolarHBondContact O-CD2 3.43Å; M247-F251 WeakPolarHBondContact O-CG 3.35Å; M247-F251 PolarHBondContact O-N 3.4Å
248	V	94.3	Very high	93.5	Very high	82 Å²	82	70 Å²	70	50%	0.497	37%	0.367	S	S	.	.	H	α-helix	trans	-63	-44.3	176.7	168.9	0	0	0	0	110.9	Y244 F246 D250 F251 L252	Y244-V248 WeakPolarHBondContact O-CB 3.49Å; Y244-V248 VanDerWaalsContact O-CG2 3.27Å; Y244-V248 WeakPolarHBondContact O-CG2 3.43Å; Y244-V248 PolarHBondContact O-N 2.87Å; F246-V248 PolarHBondContact O-N 2.68Å; V248-D250 VanDerWaalsContact C-N 3.32Å; V248-D250 PolarHBondContact O-N 3.34Å; V248-F251 PolarHBondContact O-N 3.32Å; V248-L252 HydrophobicContact CG1-CD1 4.3Å; V248-L252 WeakPolarHBondContact O-CG 3.21Å; V248-L252 PolarHBondContact O-N 2.62Å; V248-L252 VanDerWaalsContact O-N 3.07Å
249	G	94.9	Very high	93.3	Very high	36 Å²	36	72 Å²	72	37%	0.371	39%	0.386	S	S	.	.	H	α-helix	trans	-58.5	-44.7	174.8	0	0	0	0	0	112.2	L245 F246 L252 L253	L245-G249 PolarHBondContact O-N 3.07Å; F246-G249 PolarHBondContact O-N 3.13Å; G249-L252 PolarHBondContact O-N 3.42Å; G249-L253 WeakPolarHBondContact O-CB 3.45Å; G249-L253 PolarHBondContact O-N 2.94Å
250	D	94.5	Very high	93	Very high	11 Å²	11	72.7 Å²	72.7	6%	0.059	38%	0.383	C	S	.	.	H	α-helix	trans	-68.2	-39.2	179.5	-77.4	-5.8	0	0	0	113.1	N183 I228 F246 M247 V248 L253 A254	N183-D250 PolarHBondContact ND2-OD1 3.21Å; N183-D250 PolarHBondContact ND2-OD2 3.31Å; N183-D250 PolarHBondContact OD1-OD2 2.8Å; I228-D250 HydrophobicContact CG2-CB 3.62Å; F246-D250 WeakPolarHBondContact CE1-OD2 3.46Å; F246-D250 WeakPolarHBondContact CZ-OD2 3.41Å; F246-D250 PolarHBondContact O-N 3Å; M247-D250 PolarHBondContact O-N 3.23Å; V248-D250 VanDerWaalsContact C-N 3.32Å; V248-D250 PolarHBondContact O-N 3.34Å; D250-L253 PolarHBondContact O-N 2.85Å; D250-A254 WeakPolarHBondContact O-CB 3.21Å; D250-A254 PolarHBondContact O-N 2.87Å
251	F	93.1	Very high	92.7	Very high	88 Å²	88	70 Å²	70	39%	0.386	37%	0.374	S	S	.	.	H	α-helix	trans	-65.1	-39.9	175.2	-75.5	-50.8	0	0	0	112.1	I228 M247 V248 A254 V255	I228-F251 HydrophobicContact CG2-CD1 4.22Å; I228-F251 HydrophobicContact CG2-CE1 4.15Å; M247-F251 HydrophobicContact CB-CE2 4.38Å; M247-F251 HydrophobicContact CE-CE2 3.78Å; M247-F251 HydrophobicContact CE-CZ 3.76Å; M247-F251 WeakPolarHBondContact O-CD2 3.43Å; M247-F251 WeakPolarHBondContact O-CG 3.35Å; M247-F251 PolarHBondContact O-N 3.4Å; V248-F251 PolarHBondContact O-N 3.32Å; F251-A254 PolarHBondContact O-N 3.12Å; F251-V255 WeakPolarHBondContact O-CG2 3.47Å; F251-V255 PolarHBondContact O-N 2.73Å
252	L	93.4	Very high	92.2	Very high	109 Å²	109	66.5 Å²	66.5	57%	0.571	36%	0.36	S	S	*	.	H	α-helix	trans	-62.3	-45	173.8	-71.1	173.3	0	0	0	111.1	V248 G249 M256	V248-L252 HydrophobicContact CG1-CD1 4.3Å; V248-L252 WeakPolarHBondContact O-CG 3.21Å; V248-L252 PolarHBondContact O-N 2.62Å; V248-L252 VanDerWaalsContact O-N 3.07Å; G249-L252 PolarHBondContact O-N 3.42Å; L252-M256 WeakPolarHBondContact O-CE 3.26Å; L252-M256 WeakPolarHBondContact O-CG 3.3Å; L252-M256 PolarHBondContact O-N 2.61Å; L252-M256 VanDerWaalsContact O-N 3.12Å
253	L	93.3	Very high	91.8	Very high	70 Å²	70	64.9 Å²	64.9	37%	0.366	36%	0.364	S	S	.	.	H	α-helix	trans	-62.8	-41.5	176.2	-177	61.4	0	0	0	111.9	V179 L229 G249 D250 G257	V179-L253 HydrophobicContact CG1-CD2 3.84Å; V179-L253 HydrophobicContact CG1-CG 4.45Å; L229-L253 HydrophobicContact CD2-CB 4.37Å; L229-L253 HydrophobicContact CD2-CD2 4.05Å; L229-L253 HydrophobicContact CD2-CG 4.11Å; G249-L253 WeakPolarHBondContact O-CB 3.45Å; G249-L253 PolarHBondContact O-N 2.94Å; D250-L253 PolarHBondContact O-N 2.85Å; L253-G257 WeakPolarHBondContact O-CA 3.29Å; L253-G257 PolarHBondContact O-N 2.76Å
254	A	93	Very high	91.4	Very high	2 Å²	2	67.2 Å²	67.2	2%	0.017	38%	0.38	C	S	.	.	H	α-helix	trans	-63.4	-48.2	179.2	0	0	0	0	0	111.6	L229 T231 D250 F251 G257 F258	L229-A254 HydrophobicContact CD2-CB 4.2Å; T231-A254 HydrophobicContact CG2-CB 3.87Å; D250-A254 WeakPolarHBondContact O-CB 3.21Å; D250-A254 PolarHBondContact O-N 2.87Å; F251-A254 PolarHBondContact O-N 3.12Å; A254-G257 PolarHBondContact O-N 2.82Å; A254-F258 VanDerWaalsContact O-CB 3.23Å; A254-F258 WeakPolarHBondContact O-CB 3.4Å; A254-F258 PolarHBondContact O-N 3.26Å
255	V	92	Very high	90.8	Very high	96 Å²	96	65.8 Å²	65.8	58%	0.582	38%	0.379	S	S	*	.	H	α-helix	trans	-64.2	-45.1	-180	172.4	0	0	0	0	111	F251 A259	F251-V255 WeakPolarHBondContact O-CG2 3.47Å; F251-V255 PolarHBondContact O-N 2.73Å; V255-A259 WeakPolarHBondContact O-CB 3.39Å; V255-A259 PolarHBondContact O-N 3.14Å
256	M	90.8	Very high	90.4	Very high	119 Å²	119	63 Å²	63	59%	0.586	37%	0.371	S	S	*	.	H	α-helix	trans	-64.2	-46.5	175.6	-69.4	-172.1	-63.8	0	0	111.6	L252 A259 T260	L252-M256 WeakPolarHBondContact O-CE 3.26Å; L252-M256 WeakPolarHBondContact O-CG 3.3Å; L252-M256 PolarHBondContact O-N 2.61Å; L252-M256 VanDerWaalsContact O-N 3.12Å; M256-A259 PolarHBondContact O-N 2.9Å; M256-T260 WeakPolarHBondContact O-CG2 3.36Å; M256-T260 PolarHBondContact O-N 3.31Å
257	G	88.1	Confident	89.9	Confident	24 Å²	24	63.9 Å²	63.9	25%	0.247	38%	0.381	C	S	.	.	H	α-helix	trans	-57.7	-53.3	177.8	0	0	0	0	0	111.5	L253 A254 A259 T260 I261	L253-G257 WeakPolarHBondContact O-CA 3.29Å; L253-G257 PolarHBondContact O-N 2.76Å; A254-G257 PolarHBondContact O-N 2.82Å; G257-A259 VanDerWaalsContact C-N 3.33Å; G257-A259 PolarHBondContact O-N 3.1Å; G257-T260 PolarHBondContact O-N 2.95Å; G257-T260 VanDerWaalsContact O-N 3.15Å; G257-T260 PolarHBondContact O-OG1 3.45Å; G257-I261 WeakPolarHBondContact O-CD1 3.47Å; G257-I261 WeakPolarHBondContact O-CG1 3.38Å; G257-I261 PolarHBondContact O-N 3.18Å
258	F	86.5	Confident	89.3	Confident	101 Å²	101	63.9 Å²	63.9	44%	0.443	38%	0.381	S	S	.	.	H	α-helix	trans	-57.9	-42.9	178.3	-172.7	-100.9	0	0	0	112.4	A254 T260 I261 M262	A254-F258 VanDerWaalsContact O-CB 3.23Å; A254-F258 WeakPolarHBondContact O-CB 3.4Å; A254-F258 PolarHBondContact O-N 3.26Å; F258-T260 PolarHBondContact O-N 3.41Å; F258-I261 PolarHBondContact O-N 3.5Å; F258-M262 HydrophobicContact CD1-CG 4.07Å; F258-M262 HydrophobicContact CE1-CG 3.62Å; F258-M262 HydrophobicContact CE1-SD 4.46Å; F258-M262 HydrophobicContact CE2-CG 4.16Å; F258-M262 HydrophobicContact CE2-SD 4.49Å; F258-M262 HydrophobicContact CZ-CG 3.67Å; F258-M262 HydrophobicContact CZ-SD 4Å; F258-M262 WeakPolarHBondContact O-CB 3.34Å; F258-M262 WeakPolarHBondContact O-CG 3.08Å; F258-M262 PolarHBondContact O-N 3.25Å
259	A	89.7	Confident	88.8	Confident	60 Å²	60	63.8 Å²	63.8	50%	0.496	38%	0.377	S	S	.	.	H	α-helix	trans	-60.5	-45	175.9	0	0	0	0	0	112.4	V255 M256 G257 I261 G263	V255-A259 WeakPolarHBondContact O-CB 3.39Å; V255-A259 PolarHBondContact O-N 3.14Å; M256-A259 PolarHBondContact O-N 2.9Å; G257-A259 VanDerWaalsContact C-N 3.33Å; G257-A259 PolarHBondContact O-N 3.1Å; A259-I261 VanDerWaalsContact C-N 3.31Å; A259-I261 PolarHBondContact O-N 3.22Å; A259-G263 PolarHBondContact O-N 3.2Å
260	T	87.8	Confident	88.2	Confident	83 Å²	83	69.5 Å²	69.5	51%	0.509	39%	0.389	S	S	.	.	H	α-helix	trans	-64.6	-35.6	177.7	62.5	0	0	0	0	112.7	M256 G257 F258 S264	M256-T260 WeakPolarHBondContact O-CG2 3.36Å; M256-T260 PolarHBondContact O-N 3.31Å; G257-T260 PolarHBondContact O-N 2.95Å; G257-T260 VanDerWaalsContact O-N 3.15Å; G257-T260 PolarHBondContact O-OG1 3.45Å; F258-T260 PolarHBondContact O-N 3.41Å; T260-S264 VanDerWaalsContact O-CB 3.31Å; T260-S264 WeakPolarHBondContact O-CB 3.17Å; T260-S264 PolarHBondContact O-N 2.79Å; T260-S264 PolarHBondContact O-OG 3.14Å
261	I	86.6	Confident	87.4	Confident	33 Å²	33	72 Å²	72	17%	0.169	40%	0.402	C	S	.	.	H	α-helix	trans	-68.7	-51.2	179.4	-64.3	158.8	0	0	0	110.4	L172 M173 I176 G257 F258 A259 G263 S264 M265	L172-I261 HydrophobicContact CD1-CG1 4.18Å; L172-I261 HydrophobicContact CD2-CB 4.32Å; L172-I261 HydrophobicContact CD2-CG1 4.27Å; L172-I261 HydrophobicContact CD2-CG2 4.11Å; L172-I261 HydrophobicContact CG-CG1 4.33Å; M173-I261 HydrophobicContact CE-CG2 4.38Å; I176-I261 HydrophobicContact CD1-CD1 3.28Å; I176-I261 HydrophobicContact CD1-CG1 3.66Å; I176-I261 HydrophobicContact CD1-CG2 4.41Å; I176-I261 HydrophobicContact CG1-CD1 3.63Å; I176-I261 HydrophobicContact CG1-CG1 4.11Å; G257-I261 WeakPolarHBondContact O-CD1 3.47Å; G257-I261 WeakPolarHBondContact O-CG1 3.38Å; G257-I261 PolarHBondContact O-N 3.18Å; F258-I261 PolarHBondContact O-N 3.5Å; A259-I261 VanDerWaalsContact C-N 3.31Å; A259-I261 PolarHBondContact O-N 3.22Å; I261-G263 VanDerWaalsContact C-N 3.3Å; I261-G263 PolarHBondContact O-N 3.01Å; I261-S264 PolarHBondContact O-N 3.14Å; I261-M265 WeakPolarHBondContact O-CB 3.35Å; I261-M265 PolarHBondContact O-N 3.42Å
262	M	85.4	Confident	86.5	Confident	100 Å²	100	72.6 Å²	72.6	49%	0.493	41%	0.408	S	S	.	.	H	α-helix	trans	-58.8	-42.7	177.4	-75.4	-63.3	-62.6	0	0	111.3	F258 S266	F258-M262 HydrophobicContact CD1-CG 4.07Å; F258-M262 HydrophobicContact CE1-CG 3.62Å; F258-M262 HydrophobicContact CE1-SD 4.46Å; F258-M262 HydrophobicContact CE2-CG 4.16Å; F258-M262 HydrophobicContact CE2-SD 4.49Å; F258-M262 HydrophobicContact CZ-CG 3.67Å; F258-M262 HydrophobicContact CZ-SD 4Å; F258-M262 WeakPolarHBondContact O-CB 3.34Å; F258-M262 WeakPolarHBondContact O-CG 3.08Å; F258-M262 PolarHBondContact O-N 3.25Å; M262-S266 WeakPolarHBondContact O-CB 3.2Å; M262-S266 PolarHBondContact O-N 2.91Å
263	G	88.3	Confident	85.6	Confident	43 Å²	43	72 Å²	72	44%	0.443	41%	0.405	S	S	.	.	H	α-helix	trans	-62.8	-46.6	175.9	0	0	0	0	0	112.9	A259 I261 S266 S267	A259-G263 PolarHBondContact O-N 3.2Å; I261-G263 VanDerWaalsContact C-N 3.3Å; I261-G263 PolarHBondContact O-N 3.01Å; G263-S266 PolarHBondContact O-N 3.34Å; G263-S267 WeakPolarHBondContact O-CB 3.41Å; G263-S267 PolarHBondContact O-N 3.44Å
264	S	85.1	Confident	84.4	Confident	48 Å²	48	71.3 Å²	71.3	34%	0.336	40%	0.403	S	S	.	.	H	α-helix	trans	-65.7	-43.6	179.5	-60.4	0	0	0	0	112.2	T260 I261 S267 V268	T260-S264 VanDerWaalsContact O-CB 3.31Å; T260-S264 WeakPolarHBondContact O-CB 3.17Å; T260-S264 PolarHBondContact O-N 2.79Å; T260-S264 PolarHBondContact O-OG 3.14Å; I261-S264 PolarHBondContact O-N 3.14Å; S264-S267 PolarHBondContact O-N 2.87Å; S264-V268 WeakPolarHBondContact O-CG2 3.34Å; S264-V268 PolarHBondContact O-N 3.3Å
265	M	84.1	Confident	83	Confident	98 Å²	98	73.5 Å²	73.5	48%	0.483	42%	0.422	S	S	.	.	H	α-helix	trans	-64.9	-43.2	177.4	-176.5	175.7	173	0	0	111.3	I261 V268 I269	I261-M265 WeakPolarHBondContact O-CB 3.35Å; I261-M265 PolarHBondContact O-N 3.42Å; M265-V268 PolarHBondContact O-N 3.13Å; M265-I269 HydrophobicContact CE-CD1 4.17Å; M265-I269 HydrophobicContact CG-CD1 4.11Å; M265-I269 WeakPolarHBondContact O-CG1 3.47Å; M265-I269 PolarHBondContact O-N 3.25Å
266	S	86.4	Confident	81.8	Confident	77 Å²	77	73.4 Å²	73.4	54%	0.538	42%	0.418	S	S	.	.	H	α-helix	trans	-61.1	-44.3	175.3	-176.8	0	0	0	0	111.8	M262 G263 V268 I269 Y270	M262-S266 WeakPolarHBondContact O-CB 3.2Å; M262-S266 PolarHBondContact O-N 2.91Å; G263-S266 PolarHBondContact O-N 3.34Å; S266-V268 VanDerWaalsContact C-N 3.35Å; S266-V268 PolarHBondContact O-N 2.92Å; S266-I269 PolarHBondContact O-N 3.48Å; S266-Y270 WeakPolarHBondContact O-CB 3.47Å; S266-Y270 PolarHBondContact O-N 3.21Å
267	S	85	Confident	80.5	Confident	53 Å²	53	70.9 Å²	70.9	37%	0.371	42%	0.416	S	S	.	.	H	α-helix	trans	-61.2	-40.9	176	177.1	0	0	0	0	112.4	G263 S264 Y270 N271	G263-S267 WeakPolarHBondContact O-CB 3.41Å; G263-S267 PolarHBondContact O-N 3.44Å; S264-S267 PolarHBondContact O-N 2.87Å; S267-Y270 PolarHBondContact O-N 3.3Å; S267-N271 WeakPolarHBondContact O-CB 3.38Å; S267-N271 PolarHBondContact O-N 2.98Å; S267-N271 PolarHBondContact O-ND2 2.96Å
268	V	83.3	Confident	79.4	Confident	8 Å²	8	73.4 Å²	73.4	5%	0.048	43%	0.434	C	S	.	.	H	α-helix	trans	-63.8	-45.8	176.4	169	0	0	0	0	111.5	N165 I169 S264 M265 S266 Y270 N271 M272	N165-V268 HydrophobicContact CB-CG1 3.65Å; I169-V268 HydrophobicContact CD1-CG1 3.99Å; I169-V268 HydrophobicContact CG1-CG1 4.44Å; S264-V268 WeakPolarHBondContact O-CG2 3.34Å; S264-V268 PolarHBondContact O-N 3.3Å; M265-V268 PolarHBondContact O-N 3.13Å; S266-V268 VanDerWaalsContact C-N 3.35Å; S266-V268 PolarHBondContact O-N 2.92Å; V268-Y270 VanDerWaalsContact C-N 3.31Å; V268-Y270 PolarHBondContact O-N 3.21Å; V268-N271 PolarHBondContact O-N 3.01Å; V268-M272 WeakPolarHBondContact O-CB 3.5Å; V268-M272 PolarHBondContact O-N 3.26Å
269	I	82.8	Confident	78.3	Confident	80 Å²	80	72.7 Å²	72.7	41%	0.41	43%	0.431	S	S	.	.	H	α-helix	trans	-61.3	-43.5	177.4	-67.7	166.6	0	0	0	110.5	M265 S266 M272 N273	M265-I269 HydrophobicContact CE-CD1 4.17Å; M265-I269 HydrophobicContact CG-CD1 4.11Å; M265-I269 WeakPolarHBondContact O-CG1 3.47Å; M265-I269 PolarHBondContact O-N 3.25Å; S266-I269 PolarHBondContact O-N 3.48Å; I269-M272 PolarHBondContact O-N 3.48Å; I269-N273 PolarHBondContact O-N 3.46Å; I269-N273 VanDerWaalsContact O-N 3.14Å
270	Y	82.4	Confident	77.4	Confident	156 Å²	156	71.6 Å²	71.6	61%	0.612	42%	0.415	S	S	*	.	H	α-helix	trans	-62.6	-46.3	177.3	-176.7	-95.4	0	0	0	112.2	S266 S267 V268 M272 N273 T274	S266-Y270 WeakPolarHBondContact O-CB 3.47Å; S266-Y270 PolarHBondContact O-N 3.21Å; S267-Y270 PolarHBondContact O-N 3.3Å; V268-Y270 VanDerWaalsContact C-N 3.31Å; V268-Y270 PolarHBondContact O-N 3.21Å; Y270-M272 VanDerWaalsContact C-N 3.33Å; Y270-M272 PolarHBondContact O-N 2.9Å; Y270-N273 PolarHBondContact O-N 3.31Å; Y270-T274 HydrophobicContact CD1-CG2 4.12Å; Y270-T274 HydrophobicContact CE1-CG2 3.69Å; Y270-T274 HydrophobicContact CE2-CG2 4.33Å; Y270-T274 WeakPolarHBondContact O-CG2 3.36Å; Y270-T274 PolarHBondContact O-N 3.49Å; Y270-T274 PolarHBondContact O-OG1 3.37Å
271	N	78.5	Confident	76.4	Confident	63 Å²	63	70.5 Å²	70.5	34%	0.337	41%	0.409	S	S	.	.	H	α-helix	trans	-66.3	-33.6	179.3	-72.2	-15.3	0	0	0	112.7	S267 V268 T274 A275	S267-N271 WeakPolarHBondContact O-CB 3.38Å; S267-N271 PolarHBondContact O-N 2.98Å; S267-N271 PolarHBondContact O-ND2 2.96Å; V268-N271 PolarHBondContact O-N 3.01Å; N271-T274 VanDerWaalsContact CA-OG1 3.22Å; N271-T274 WeakPolarHBondContact CA-OG1 3.5Å; N271-T274 PolarHBondContact O-OG1 3.27Å; N271-A275 PolarHBondContact O-N 3.39Å; N271-A275 VanDerWaalsContact O-N 3.12Å
272	M	74.2	Confident	75.6	Confident	102 Å²	102	73.2 Å²	73.2	50%	0.502	42%	0.424	S	S	.	.	H	α-helix	trans	-67	-43.9	175.6	-169	176.5	73.7	0	0	111.4	V268 I269 Y270 A275	V268-M272 WeakPolarHBondContact O-CB 3.5Å; V268-M272 PolarHBondContact O-N 3.26Å; I269-M272 PolarHBondContact O-N 3.48Å; Y270-M272 VanDerWaalsContact C-N 3.33Å; Y270-M272 PolarHBondContact O-N 2.9Å; M272-A275 PolarHBondContact O-N 2.94Å
273	N	73.3	Confident	75.1	Confident	96 Å²	96	71.1 Å²	71.1	51%	0.513	41%	0.413	S	S	.	.	H	α-helix	trans	-70.7	-33.2	178.9	-71.6	-14.3	0	0	0	112.8	I269 Y270 A277	I269-N273 PolarHBondContact O-N 3.46Å; I269-N273 VanDerWaalsContact O-N 3.14Å; Y270-N273 PolarHBondContact O-N 3.31Å; N273-A277 PolarHBondContact O-N 3.22Å
274	T	69.9	Low	74.8	Confident	55 Å²	55	71.9 Å²	71.9	34%	0.337	42%	0.415	S	S	.	.	H	α-helix	trans	-73	-32.2	177.2	46.4	0	0	0	0	112.8	Y270 N271 D276 A277 A278	Y270-T274 HydrophobicContact CD1-CG2 4.12Å; Y270-T274 HydrophobicContact CE1-CG2 3.69Å; Y270-T274 HydrophobicContact CE2-CG2 4.33Å; Y270-T274 WeakPolarHBondContact O-CG2 3.36Å; Y270-T274 PolarHBondContact O-N 3.49Å; Y270-T274 PolarHBondContact O-OG1 3.37Å; N271-T274 VanDerWaalsContact CA-OG1 3.22Å; N271-T274 WeakPolarHBondContact CA-OG1 3.5Å; N271-T274 PolarHBondContact O-OG1 3.27Å; T274-D276 PolarHBondContact O-N 2.94Å; T274-A277 PolarHBondContact O-N 2.83Å; T274-A278 PolarHBondContact O-N 3.11Å
275	A	63.1	Low	74.7	Confident	48 Å²	48	75 Å²	75	40%	0.397	43%	0.427	S	S	.	.	H	α-helix	trans	-58.6	-47.7	173.6	0	0	0	0	0	111.1	N271 M272 A277 A278 F279	N271-A275 PolarHBondContact O-N 3.39Å; N271-A275 VanDerWaalsContact O-N 3.12Å; M272-A275 PolarHBondContact O-N 2.94Å; A275-A277 VanDerWaalsContact C-N 3.33Å; A275-A277 PolarHBondContact O-N 3.08Å; A275-A278 WeakPolarHBondContact O-CB 3.49Å; A275-A278 PolarHBondContact O-N 2.92Å; A275-F279 WeakPolarHBondContact O-CD2 3.32Å
276	D	65.5	Low	74.8	Confident	94 Å²	94	72.3 Å²	72.3	50%	0.503	42%	0.416	S	S	.	.	H	α-helix	trans	-65.5	-35.8	176.2	-74.6	-20.8	0	0	0	112.3	T274 A278 F279 Y280	T274-D276 PolarHBondContact O-N 2.94Å; D276-A278 PolarHBondContact O-N 3.48Å; D276-F279 PolarHBondContact O-N 2.93Å; D276-Y280 WeakPolarHBondContact O-CD2 3.39Å; D276-Y280 PolarHBondContact O-N 3.01Å
277	A	64.9	Low	74.9	Confident	66 Å²	66	72.3 Å²	72.3	55%	0.545	41%	0.407	S	S	.	.	H	α-helix	trans	-67.3	-20.8	175.6	0	0	0	0	0	113.7	N273 T274 A275 Y280	N273-A277 PolarHBondContact O-N 3.22Å; T274-A277 PolarHBondContact O-N 2.83Å; A275-A277 VanDerWaalsContact C-N 3.33Å; A275-A277 PolarHBondContact O-N 3.08Å; A277-Y280 VanDerWaalsContact O-O 3.09Å
278	A	64.4	Low	75.1	Confident	77 Å²	77	76.3 Å²	76.3	64%	0.636	42%	0.417	S	S	*	.	H	α-helix	trans	-74.7	-28.7	173.9	0	0	0	0	0	112.3	T274 A275 D276	T274-A278 PolarHBondContact O-N 3.11Å; A275-A278 WeakPolarHBondContact O-CB 3.49Å; A275-A278 PolarHBondContact O-N 2.92Å; D276-A278 PolarHBondContact O-N 3.48Å
279	F	64.6	Low	75.4	Confident	86 Å²	86	82.7 Å²	82.7	38%	0.377	44%	0.441	S	S	.	.	H	α-helix	trans	-88.1	-30.4	-178.1	-69.8	-76.8	0	0	0	113.5	A275 D276 M316 I322	A275-F279 WeakPolarHBondContact O-CD2 3.32Å; D276-F279 PolarHBondContact O-N 2.93Å; F279-M316 HydrophobicContact CD1-CG 4.38Å; F279-M316 HydrophobicContact CD1-SD 3.74Å; F279-M316 HydrophobicContact CE1-SD 4.09Å; F279-I322 HydrophobicContact CD1-CD1 3.49Å; F279-I322 VanDerWaalsContact CD1-CD1 3.49Å; F279-I322 HydrophobicContact CD1-CG1 4.45Å; F279-I322 HydrophobicContact CE1-CD1 3.68Å; F279-I322 HydrophobicContact CE1-CG1 4.37Å; F279-I322 HydrophobicContact CE1-CG2 4.32Å
280	Y	69.4	Low	75.9	Confident	38 Å²	38	79.4 Å²	79.4	15%	0.149	42%	0.424	C	S	.	.	S	Bend	trans	-121.2	127.2	-178.8	-50	-75.7	0	0	0	110.3	D276 A277 Q311 K314	D276-Y280 WeakPolarHBondContact O-CD2 3.39Å; D276-Y280 PolarHBondContact O-N 3.01Å; A277-Y280 VanDerWaalsContact O-O 3.09Å; Y280-Q311 HydrophobicContact CD1-CB 4.41Å; Y280-Q311 HydrophobicContact CD2-CG 4.26Å; Y280-Q311 HydrophobicContact CE2-CG 4.45Å; Y280-Q311 HydrophobicContact CG-CG 4.35Å; Y280-K314 WeakPolarHBondContact OH-CA 3.3Å; Y280-K314 WeakPolarHBondContact OH-CB 3.44Å
281	P	66.6	Low	76.3	Confident	60 Å²	60	78 Å²	78	39%	0.39	42%	0.422	S	S	.	.			trans	-54.3	143.3	178.1	-19.7	27.7	0	0	0	111.4	H283 Y307	P281-H283 PolarHBondContact O-N 2.75Å; P281-Y307 HydrophobicContact CB-CE1 4.04Å; P281-Y307 HydrophobicContact CG-CE1 4.18Å
282	D	70.1	Confident	77.1	Confident	90 Å²	90	80.5 Å²	80.5	48%	0.481	43%	0.434	S	S	.	.			trans	-62.3	96.3	-177.5	-173.8	-0.6	0	0	0	111.5	A284 L285	D282-A284 PolarHBondContact O-N 3.05Å; D282-A284 VanDerWaalsContact O-N 3.14Å; D282-A284 WeakPolarHBondContact OD1-CB 3.34Å; D282-A284 PolarHBondContact OD1-N 3.09Å; D282-L285 HydrophobicContact CB-CD1 4.13Å; D282-L285 HydrophobicContact CB-CG 4.26Å; D282-L285 PolarHBondContact O-N 3.35Å; D282-L285 VanDerWaalsContact O-N 3.14Å; D282-L285 WeakPolarHBondContact OD2-CG 3.45Å
283	H	75.8	Confident	78.1	Confident	56 Å²	56	81.2 Å²	81.2	26%	0.259	44%	0.436	S	S	.	.	H	α-helix	trans	-58	-25.3	177.3	165.8	-98.4	0	0	0	112.1	P281 K287 Y307	P281-H283 PolarHBondContact O-N 2.75Å; H283-K287 VanDerWaalsContact O-CB 3.27Å; H283-K287 WeakPolarHBondContact O-CB 3.38Å; H283-K287 PolarHBondContact O-N 3.43Å; H283-Y307 HydrophobicContact CB-CD1 4.48Å
284	A	80.9	Confident	79	Confident	59 Å²	59	84.7 Å²	84.7	49%	0.488	45%	0.449	S	S	.	.	H	α-helix	trans	-67.3	-38.9	178.5	0	0	0	0	0	112	D282 K287 K288	D282-A284 PolarHBondContact O-N 3.05Å; D282-A284 VanDerWaalsContact O-N 3.14Å; D282-A284 WeakPolarHBondContact OD1-CB 3.34Å; D282-A284 PolarHBondContact OD1-N 3.09Å; A284-K287 PolarHBondContact O-N 3.37Å; A284-K288 WeakPolarHBondContact O-CB 3.47Å; A284-K288 PolarHBondContact O-N 3.15Å
285	L	84.6	Confident	80.2	Confident	112 Å²	112	84.1 Å²	84.1	59%	0.586	45%	0.445	S	S	*	.	H	α-helix	trans	-65.7	-45.5	177	-70.5	176	0	0	0	111.5	D282 K287 K288 Y289	D282-L285 HydrophobicContact CB-CD1 4.13Å; D282-L285 HydrophobicContact CB-CG 4.26Å; D282-L285 PolarHBondContact O-N 3.35Å; D282-L285 VanDerWaalsContact O-N 3.14Å; D282-L285 WeakPolarHBondContact OD2-CG 3.45Å; L285-K287 VanDerWaalsContact C-N 3.35Å; L285-K287 PolarHBondContact O-N 2.89Å; L285-K288 WeakPolarHBondContact O-CB 3.47Å; L285-K288 PolarHBondContact O-N 3.47Å; L285-Y289 PolarHBondContact O-N 3.44Å
286	V	86.3	Confident	81.7	Confident	43 Å²	43	87.2 Å²	87.2	26%	0.261	46%	0.455	S	S	.	.	H	α-helix	trans	-63.1	-43.8	177.8	-177.6	0	0	0	0	110.6	K288 Y289 M290 V303 Y307	V286-K288 VanDerWaalsContact C-N 3.32Å; V286-K288 PolarHBondContact O-N 3.35Å; V286-Y289 WeakPolarHBondContact O-CB 3.44Å; V286-Y289 PolarHBondContact O-N 3.09Å; V286-M290 HydrophobicContact CG1-CE 4.23Å; V286-M290 WeakPolarHBondContact O-CG 3.4Å; V286-M290 PolarHBondContact O-N 3.15Å; V286-V303 HydrophobicContact CG1-CG1 4.12Å; V286-Y307 HydrophobicContact CB-CE2 4.44Å; V286-Y307 HydrophobicContact CG1-CE2 4.21Å; V286-Y307 HydrophobicContact CG2-CE2 4.31Å
287	K	87.1	Confident	82.9	Confident	77 Å²	77	92.4 Å²	92.4	34%	0.335	47%	0.468	S	S	.	.	H	α-helix	trans	-61.4	-40.2	175.4	-172.2	173.8	-175.2	174.1	0	112.2	H283 A284 L285 K291	H283-K287 VanDerWaalsContact O-CB 3.27Å; H283-K287 WeakPolarHBondContact O-CB 3.38Å; H283-K287 PolarHBondContact O-N 3.43Å; A284-K287 PolarHBondContact O-N 3.37Å; L285-K287 VanDerWaalsContact C-N 3.35Å; L285-K287 PolarHBondContact O-N 2.89Å; K287-K291 WeakPolarHBondContact O-CG 3.45Å; K287-K291 PolarHBondContact O-N 3.45Å; K287-K291 VanDerWaalsContact O-N 3.13Å
288	K	89.4	Confident	84.1	Confident	136 Å²	136	99.3 Å²	99.3	59%	0.591	48%	0.48	S	S	*	.	H	α-helix	trans	-64.4	-44.7	175.3	-171.9	179.2	179.5	-177.3	0	111.1	A284 L285 V286 K291 L292	A284-K288 WeakPolarHBondContact O-CB 3.47Å; A284-K288 PolarHBondContact O-N 3.15Å; L285-K288 WeakPolarHBondContact O-CB 3.47Å; L285-K288 PolarHBondContact O-N 3.47Å; V286-K288 VanDerWaalsContact C-N 3.32Å; V286-K288 PolarHBondContact O-N 3.35Å; K288-K291 PolarHBondContact O-N 3.27Å; K288-L292 HydrophobicContact CG-CD1 4.19Å; K288-L292 WeakPolarHBondContact O-CG 3.44Å; K288-L292 PolarHBondContact O-N 3.29Å
289	Y	90.4	Very high	85.3	Confident	143 Å²	143	99.8 Å²	99.8	56%	0.561	47%	0.471	S	S	*	.	H	α-helix	trans	-59	-48.7	175.9	175.9	-94.8	0	0	0	112	L285 V286 K291 L292 Q293	L285-Y289 PolarHBondContact O-N 3.44Å; V286-Y289 WeakPolarHBondContact O-CB 3.44Å; V286-Y289 PolarHBondContact O-N 3.09Å; Y289-K291 VanDerWaalsContact C-N 3.27Å; Y289-K291 PolarHBondContact O-N 2.68Å; Y289-L292 PolarHBondContact O-N 3.46Å; Y289-L292 VanDerWaalsContact O-N 3.13Å; Y289-Q293 HydrophobicContact CD1-CG 4.34Å; Y289-Q293 HydrophobicContact CD2-CG 4.17Å; Y289-Q293 HydrophobicContact CE1-CG 3.94Å; Y289-Q293 HydrophobicContact CE2-CG 3.76Å; Y289-Q293 HydrophobicContact CG-CG 4.45Å; Y289-Q293 WeakPolarHBondContact O-CG 3.16Å; Y289-Q293 PolarHBondContact O-N 2.85Å
290	M	92.6	Very high	86.5	Confident	10 Å²	10	97.5 Å²	97.5	5%	0.049	46%	0.461	C	S	.	.	H	α-helix	trans	-60.1	-37.3	178.7	-71.3	-170	-65.9	0	0	112.6	V286 H294 V295 E300 V303	V286-M290 HydrophobicContact CG1-CE 4.23Å; V286-M290 WeakPolarHBondContact O-CG 3.4Å; V286-M290 PolarHBondContact O-N 3.15Å; M290-H294 PolarHBondContact O-N 2.92Å; M290-V295 HydrophobicContact CB-CB 4.15Å; M290-V295 HydrophobicContact CB-CG2 4.15Å; M290-V295 HydrophobicContact CG-CB 4.45Å; M290-V295 HydrophobicContact CG-CG2 4.25Å; M290-V295 PolarHBondContact O-N 3.06Å; M290-E300 HydrophobicContact CE-CG 3.88Å; M290-E300 HydrophobicContact SD-CB 4.39Å; M290-E300 HydrophobicContact SD-CG 4.28Å; M290-V303 HydrophobicContact CE-CB 4.17Å; M290-V303 HydrophobicContact CE-CG1 3.91Å; M290-V303 HydrophobicContact SD-CB 3.95Å; M290-V303 HydrophobicContact SD-CG1 4Å; M290-V303 HydrophobicContact SD-CG2 4.08Å
291	K	90.8	Very high	87.5	Confident	128 Å²	128	103.9 Å²	103.9	56%	0.557	49%	0.485	S	S	*	.	H	α-helix	trans	-66.8	-44.2	174.3	-76	-177.5	176.1	-170.8	0	112.4	K287 K288 Y289 Q293 H294	K287-K291 WeakPolarHBondContact O-CG 3.45Å; K287-K291 PolarHBondContact O-N 3.45Å; K287-K291 VanDerWaalsContact O-N 3.13Å; K288-K291 PolarHBondContact O-N 3.27Å; Y289-K291 VanDerWaalsContact C-N 3.27Å; Y289-K291 PolarHBondContact O-N 2.68Å; K291-Q293 VanDerWaalsContact C-N 3.31Å; K291-Q293 PolarHBondContact O-N 2.99Å; K291-H294 PolarHBondContact O-N 2.94Å
292	L	94.8	Very high	88.6	Confident	115 Å²	115	106.5 Å²	106.5	60%	0.602	49%	0.488	S	S	*	.	H	α-helix	trans	-64.7	-35.5	178.6	-71.5	170.8	0	0	0	112.2	K288 Y289 H294	K288-L292 HydrophobicContact CG-CD1 4.19Å; K288-L292 WeakPolarHBondContact O-CG 3.44Å; K288-L292 PolarHBondContact O-N 3.29Å; Y289-L292 PolarHBondContact O-N 3.46Å; Y289-L292 VanDerWaalsContact O-N 3.13Å; L292-H294 VanDerWaalsContact C-N 3.32Å
293	Q	95.6	Very high	89.5	Confident	116 Å²	116	103.9 Å²	103.9	54%	0.542	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	5.8	178.6	-62.6	-58.5	-39.5	0	0	113.6	Y289 K291 V295	Y289-Q293 HydrophobicContact CD1-CG 4.34Å; Y289-Q293 HydrophobicContact CD2-CG 4.17Å; Y289-Q293 HydrophobicContact CE1-CG 3.94Å; Y289-Q293 HydrophobicContact CE2-CG 3.76Å; Y289-Q293 HydrophobicContact CG-CG 4.45Å; Y289-Q293 WeakPolarHBondContact O-CG 3.16Å; Y289-Q293 PolarHBondContact O-N 2.85Å; K291-Q293 VanDerWaalsContact C-N 3.31Å; K291-Q293 PolarHBondContact O-N 2.99Å; Q293-V295 VanDerWaalsContact C-N 3.26Å; Q293-V295 HydrophobicContact CB-CG2 4.15Å; Q293-V295 PolarHBondContact O-N 3.05Å
294	H	93.3	Very high	90.1	Very high	170 Å²	170	102.6 Å²	102.6	79%	0.787	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	42	-179.9	-60.9	-71.5	0	0	0	114.1	M290 K291 L292	M290-H294 PolarHBondContact O-N 2.92Å; K291-H294 PolarHBondContact O-N 2.94Å; L292-H294 VanDerWaalsContact C-N 3.32Å
295	V	93.8	Very high	90.5	Very high	42 Å²	42	103 Å²	103	26%	0.255	46%	0.463	S	S	.	.			trans	-62.2	142.4	179.2	177	0	0	0	0	110.6	M290 Q293 R297 L299	M290-V295 HydrophobicContact CB-CB 4.15Å; M290-V295 HydrophobicContact CB-CG2 4.15Å; M290-V295 HydrophobicContact CG-CB 4.45Å; M290-V295 HydrophobicContact CG-CG2 4.25Å; M290-V295 PolarHBondContact O-N 3.06Å; Q293-V295 VanDerWaalsContact C-N 3.26Å; Q293-V295 HydrophobicContact CB-CG2 4.15Å; Q293-V295 PolarHBondContact O-N 3.05Å; V295-R297 PolarHBondContact O-N 3.19Å; V295-L299 HydrophobicContact CG1-CB 3.84Å; V295-L299 HydrophobicContact CG1-CD2 3.72Å; V295-L299 HydrophobicContact CG1-CG 3.93Å
296	N	94.9	Very high	90.6	Very high	113 Å²	113	100.6 Å²	100.6	60%	0.604	45%	0.446	S	S	*	.			trans	-55.6	133.6	177.3	-178.4	-11.5	0	0	0	111.3	R298 L299 E300	N296-R298 PolarHBondContact O-N 2.96Å; N296-R298 PolarHBondContact OD1-N 3.28Å; N296-L299 PolarHBondContact O-N 3.39Å; N296-E300 PolarHBondContact O-N 3.03Å
297	R	89.8	Confident	90.6	Very high	204 Å²	204	100.2 Å²	100.2	77%	0.77	44%	0.441	S	S	*	.	H	α-helix	trans	-50.2	-31.1	176.9	-73.1	-171.2	174.4	-169.7	-0.4	114.1	V295 R301	V295-R297 PolarHBondContact O-N 3.19Å; R297-R301 WeakPolarHBondContact O-CB 3.4Å; R297-R301 PolarHBondContact O-N 3.17Å
298	R	91	Very high	90.5	Very high	211 Å²	211	101.3 Å²	101.3	80%	0.796	45%	0.447	S	S	*	.	H	α-helix	trans	-66.4	-42.4	176.1	-173.1	177.9	179.8	178.9	0.6	112.1	N296 R302	N296-R298 PolarHBondContact O-N 2.96Å; N296-R298 PolarHBondContact OD1-N 3.28Å; R298-R302 PolarHBondContact O-N 2.9Å
299	L	90.3	Very high	90.4	Very high	86 Å²	86	96 Å²	96	45%	0.45	42%	0.424	S	S	.	.	H	α-helix	trans	-73.6	-40.5	176.8	-178.4	59	0	0	0	110.5	V295 N296 R301 R302 V303	V295-L299 HydrophobicContact CG1-CB 3.84Å; V295-L299 HydrophobicContact CG1-CD2 3.72Å; V295-L299 HydrophobicContact CG1-CG 3.93Å; N296-L299 PolarHBondContact O-N 3.39Å; L299-R301 VanDerWaalsContact C-N 3.34Å; L299-R301 PolarHBondContact O-N 2.99Å; L299-R302 PolarHBondContact O-N 2.85Å; L299-V303 HydrophobicContact CD1-CG2 4.29Å; L299-V303 HydrophobicContact CG-CG2 4.48Å; L299-V303 WeakPolarHBondContact O-CG2 3.46Å; L299-V303 PolarHBondContact O-N 3Å
300	E	90.1	Very high	90.1	Very high	38 Å²	38	89.4 Å²	89.4	18%	0.178	40%	0.398	C	S	.	.	H	α-helix	trans	-54.8	-49.6	174.3	-171.5	-173.2	177.9	0	0	111.1	M290 N296 R302 V303 I304	M290-E300 HydrophobicContact CE-CG 3.88Å; M290-E300 HydrophobicContact SD-CB 4.39Å; M290-E300 HydrophobicContact SD-CG 4.28Å; N296-E300 PolarHBondContact O-N 3.03Å; E300-R302 PolarHBondContact O-N 2.82Å; E300-V303 PolarHBondContact O-N 3.15Å; E300-I304 HydrophobicContact CG-CD1 3.93Å; E300-I304 VanDerWaalsContact O-CG1 3.23Å; E300-I304 WeakPolarHBondContact O-CG1 3.31Å; E300-I304 PolarHBondContact O-N 3.33Å
301	R	90.1	Very high	89.5	Confident	172 Å²	172	94.2 Å²	94.2	65%	0.649	42%	0.421	S	S	*	.	H	α-helix	trans	-60.7	-45.3	177.5	-172.3	177.3	-62.7	173.3	-0.9	112	R297 L299 V303 I304 D305	R297-R301 WeakPolarHBondContact O-CB 3.4Å; R297-R301 PolarHBondContact O-N 3.17Å; L299-R301 VanDerWaalsContact C-N 3.34Å; L299-R301 PolarHBondContact O-N 2.99Å; R301-V303 VanDerWaalsContact C-N 3.33Å; R301-V303 PolarHBondContact O-N 3.29Å; R301-I304 PolarHBondContact O-N 3.07Å; R301-D305 WeakPolarHBondContact O-CB 3.36Å; R301-D305 PolarHBondContact O-N 3.23Å
302	R	89.6	Confident	89.2	Confident	116 Å²	116	94.3 Å²	94.3	44%	0.438	43%	0.426	S	S	.	.	H	α-helix	trans	-60.2	-41.4	178.8	-179.4	178.3	161.7	-155	-8.6	112.4	R298 L299 E300 W306 E373	R298-R302 PolarHBondContact O-N 2.9Å; L299-R302 PolarHBondContact O-N 2.85Å; E300-R302 PolarHBondContact O-N 2.82Å; R302-W306 WeakPolarHBondContact O-CB 3.26Å; R302-W306 PolarHBondContact O-N 3.49Å; R302-W306 VanDerWaalsContact O-N 3.08Å; R302-E373 IonicContact CZ-OE1 3.05Å; R302-E373 IonicContact NH2-OE1 2.68Å; R302-E373 PolarHBondContact NH2-OE1 3.35Å; R302-E373 IonicContact NH2-OE2 2.76Å
303	V	89	Confident	88.6	Confident	34 Å²	34	92.8 Å²	92.8	21%	0.206	42%	0.419	C	S	.	.	H	α-helix	trans	-65.4	-43.9	176.3	172.4	0	0	0	0	110.7	V286 M290 L299 E300 R301 W306 Y307	V286-V303 HydrophobicContact CG1-CG1 4.12Å; M290-V303 HydrophobicContact CE-CB 4.17Å; M290-V303 HydrophobicContact CE-CG1 3.91Å; M290-V303 HydrophobicContact SD-CB 3.95Å; M290-V303 HydrophobicContact SD-CG1 4Å; M290-V303 HydrophobicContact SD-CG2 4.08Å; L299-V303 HydrophobicContact CD1-CG2 4.29Å; L299-V303 HydrophobicContact CG-CG2 4.48Å; L299-V303 WeakPolarHBondContact O-CG2 3.46Å; L299-V303 PolarHBondContact O-N 3Å; E300-V303 PolarHBondContact O-N 3.15Å; R301-V303 VanDerWaalsContact C-N 3.33Å; R301-V303 PolarHBondContact O-N 3.29Å; V303-W306 PolarHBondContact O-N 3.12Å; V303-Y307 HydrophobicContact CG1-CD2 3.8Å; V303-Y307 HydrophobicContact CG1-CE2 3.88Å; V303-Y307 WeakPolarHBondContact O-CD2 3.37Å; V303-Y307 PolarHBondContact O-N 3.11Å
304	I	87.8	Confident	87.8	Confident	29 Å²	29	95 Å²	95	15%	0.149	43%	0.427	C	S	.	.	H	α-helix	trans	-61.3	-47.2	177.3	-66.1	166.4	0	0	0	110.9	E300 R301 W306 Y307 Q308	E300-I304 HydrophobicContact CG-CD1 3.93Å; E300-I304 VanDerWaalsContact O-CG1 3.23Å; E300-I304 WeakPolarHBondContact O-CG1 3.31Å; E300-I304 PolarHBondContact O-N 3.33Å; R301-I304 PolarHBondContact O-N 3.07Å; I304-W306 VanDerWaalsContact C-N 3.31Å; I304-W306 PolarHBondContact O-N 2.9Å; I304-Y307 PolarHBondContact O-N 3.46Å; I304-Q308 HydrophobicContact CG2-CG 4.32Å; I304-Q308 WeakPolarHBondContact O-CB 3.49Å; I304-Q308 WeakPolarHBondContact O-CG 3.49Å; I304-Q308 PolarHBondContact O-N 3.38Å
305	D	88.8	Confident	87	Confident	67 Å²	67	88.2 Å²	88.2	36%	0.358	40%	0.395	S	S	.	.	H	α-helix	trans	-61.6	-40.6	-179.5	-65	-15.5	0	0	0	111.2	R301 Q308 H309	R301-D305 WeakPolarHBondContact O-CB 3.36Å; R301-D305 PolarHBondContact O-N 3.23Å; D305-Q308 PolarHBondContact O-N 3.4Å; D305-H309 WeakPolarHBondContact O-CB 3.44Å; D305-H309 PolarHBondContact O-N 2.78Å
306	W	87.8	Confident	86	Confident	62 Å²	62	90 Å²	90	24%	0.235	40%	0.401	C	S	.	.	H	α-helix	trans	-62.7	-47	174.8	176.6	83.9	0	0	0	112.4	R302 V303 I304 Q308 H309 L310 T317 T368	R302-W306 WeakPolarHBondContact O-CB 3.26Å; R302-W306 PolarHBondContact O-N 3.49Å; R302-W306 VanDerWaalsContact O-N 3.08Å; V303-W306 PolarHBondContact O-N 3.12Å; I304-W306 VanDerWaalsContact C-N 3.31Å; I304-W306 PolarHBondContact O-N 2.9Å; W306-Q308 PolarHBondContact O-N 2.68Å; W306-H309 PolarHBondContact O-N 2.93Å; W306-L310 HydrophobicContact CD2-CD1 3.91Å; W306-L310 HydrophobicContact CD2-CG 4.43Å; W306-L310 HydrophobicContact CE3-CD1 3.84Å; W306-L310 HydrophobicContact CH2-CD1 3.39Å; W306-L310 HydrophobicContact CZ2-CD1 3.46Å; W306-L310 VanDerWaalsContact CZ2-CD1 3.46Å; W306-L310 HydrophobicContact CZ2-CG 4.4Å; W306-L310 HydrophobicContact CZ3-CD1 3.57Å; W306-L310 PolarHBondContact O-N 3.01Å; W306-T317 HydrophobicContact CH2-CG2 4.4Å; W306-T317 HydrophobicContact CZ2-CG2 4.47Å; W306-T368 PolarHBondContact NE1-O 3.22Å
307	Y	85.3	Confident	84.7	Confident	36 Å²	36	87.1 Å²	87.1	14%	0.141	39%	0.388	C	S	.	.	H	α-helix	trans	-61.7	-43.5	176.4	-93.4	-72.8	0	0	0	112.2	P281 H283 V286 V303 I304 H309 L310 Q311	P281-Y307 HydrophobicContact CB-CE1 4.04Å; P281-Y307 HydrophobicContact CG-CE1 4.18Å; H283-Y307 HydrophobicContact CB-CD1 4.48Å; V286-Y307 HydrophobicContact CB-CE2 4.44Å; V286-Y307 HydrophobicContact CG1-CE2 4.21Å; V286-Y307 HydrophobicContact CG2-CE2 4.31Å; V303-Y307 HydrophobicContact CG1-CD2 3.8Å; V303-Y307 HydrophobicContact CG1-CE2 3.88Å; V303-Y307 WeakPolarHBondContact O-CD2 3.37Å; V303-Y307 PolarHBondContact O-N 3.11Å; I304-Y307 PolarHBondContact O-N 3.46Å; Y307-H309 VanDerWaalsContact C-N 3.32Å; Y307-H309 PolarHBondContact O-N 2.9Å; Y307-L310 PolarHBondContact O-N 3.45Å; Y307-Q311 PolarHBondContact O-N 3.33Å
308	Q	86	Confident	83.7	Confident	100 Å²	100	81.6 Å²	81.6	47%	0.467	37%	0.374	S	S	.	.	H	α-helix	trans	-60.9	-42.5	176.8	-75.2	179.6	-8.6	0	0	111.4	I304 D305 W306 Q311 I312	I304-Q308 HydrophobicContact CG2-CG 4.32Å; I304-Q308 WeakPolarHBondContact O-CB 3.49Å; I304-Q308 WeakPolarHBondContact O-CG 3.49Å; I304-Q308 PolarHBondContact O-N 3.38Å; D305-Q308 PolarHBondContact O-N 3.4Å; W306-Q308 PolarHBondContact O-N 2.68Å; Q308-Q311 PolarHBondContact O-N 3.28Å; Q308-I312 WeakPolarHBondContact O-CB 3.37Å; Q308-I312 VanDerWaalsContact O-CG1 3.23Å; Q308-I312 WeakPolarHBondContact O-CG1 3.32Å; Q308-I312 PolarHBondContact O-N 3.45Å
309	H	86.4	Confident	83	Confident	24 Å²	24	73.2 Å²	73.2	11%	0.111	34%	0.343	C	S	.	.	H	α-helix	trans	-60.9	-45.2	175.8	175.3	-89.4	0	0	0	112.2	D305 W306 Y307 Q311 N313 Y439	D305-H309 WeakPolarHBondContact O-CB 3.44Å; D305-H309 PolarHBondContact O-N 2.78Å; W306-H309 PolarHBondContact O-N 2.93Å; Y307-H309 VanDerWaalsContact C-N 3.32Å; Y307-H309 PolarHBondContact O-N 2.9Å; H309-Q311 VanDerWaalsContact C-N 3.33Å; H309-Q311 PolarHBondContact O-N 3.03Å; H309-N313 PolarHBondContact CD2-ND2 3.44Å; H309-N313 PolarHBondContact NE2-ND2 3.03Å; H309-N313 WeakPolarHBondContact O-CB 3.46Å; H309-N313 PolarHBondContact O-N 3.28Å; H309-N313 VanDerWaalsContact O-N 3.11Å; H309-N313 PolarHBondContact O-ND2 3.43Å; H309-Y439 HydrophobicContact CB-CD1 4.13Å; H309-Y439 HydrophobicContact CB-CE1 3.62Å; H309-Y439 HydrophobicContact CB-CE2 4.32Å; H309-Y439 AromaticContact CD2-CD1 3.62Å; H309-Y439 AromaticContact CD2-CD2 3.34Å; H309-Y439 WeakPolarHBondContact CD2-CD2 3.34Å; H309-Y439 AromaticContact CD2-CE1 3.86Å; H309-Y439 AromaticContact CD2-CE2 3.59Å; H309-Y439 AromaticContact CD2-CG 3.35Å; H309-Y439 AromaticContact CD2-CZ 3.83Å; H309-Y439 VanDerWaalsContact CE1-CB 3.45Å; H309-Y439 WeakPolarHBondContact CE1-CB 3.33Å; H309-Y439 AromaticContact CE1-CD1 3.57Å; H309-Y439 AromaticContact CE1-CG 3.5Å; H309-Y439 AromaticContact CG-CD1 3.45Å; H309-Y439 VanDerWaalsContact CG-CD1 3.45Å; H309-Y439 AromaticContact CG-CD2 4Å; H309-Y439 AromaticContact CG-CE1 3.47Å; H309-Y439 VanDerWaalsContact CG-CE1 3.47Å; H309-Y439 AromaticContact CG-CG 3.72Å; H309-Y439 AromaticContact CG-CZ 3.75Å; H309-Y439 AromaticContact ND1-CD1 3.42Å; H309-Y439 WeakPolarHBondContact ND1-CD1 3.2Å; H309-Y439 AromaticContact ND1-CE1 3.83Å; H309-Y439 AromaticContact ND1-CG 3.8Å; H309-Y439 VanDerWaalsContact NE2-CB 3.28Å; H309-Y439 WeakPolarHBondContact NE2-CB 3.34Å; H309-Y439 AromaticContact NE2-CD1 3.71Å; H309-Y439 AromaticContact NE2-CD2 3.57Å; H309-Y439 AromaticContact NE2-CG 3.23Å
310	L	84.1	Confident	82.2	Confident	4 Å²	4	73.3 Å²	73.3	2%	0.021	35%	0.347	C	S	.	.	H	α-helix	trans	-58.8	-45.2	176	-71.5	177.4	0	0	0	111.9	W306 Y307 K314 K315 T317 T368	W306-L310 HydrophobicContact CD2-CD1 3.91Å; W306-L310 HydrophobicContact CD2-CG 4.43Å; W306-L310 HydrophobicContact CE3-CD1 3.84Å; W306-L310 HydrophobicContact CH2-CD1 3.39Å; W306-L310 HydrophobicContact CZ2-CD1 3.46Å; W306-L310 VanDerWaalsContact CZ2-CD1 3.46Å; W306-L310 HydrophobicContact CZ2-CG 4.4Å; W306-L310 HydrophobicContact CZ3-CD1 3.57Å; W306-L310 PolarHBondContact O-N 3.01Å; Y307-L310 PolarHBondContact O-N 3.45Å; L310-K314 WeakPolarHBondContact O-CA 3.39Å; L310-K314 PolarHBondContact O-N 3.12Å; L310-K315 HydrophobicContact CD2-CB 3.71Å; L310-K315 PolarHBondContact O-N 3.14Å; L310-T317 HydrophobicContact CD1-CG2 3.68Å; L310-T317 HydrophobicContact CD2-CG2 4.13Å; L310-T368 HydrophobicContact CD2-CG2 4.09Å
311	Q	80.1	Confident	81.5	Confident	111 Å²	111	73.3 Å²	73.3	52%	0.519	35%	0.354	S	S	.	.	H	α-helix	trans	-69.8	-45.4	-177.3	-170.2	177.1	-3.2	0	0	112.6	Y280 Y307 Q308 H309 N313 K314	Y280-Q311 HydrophobicContact CD1-CB 4.41Å; Y280-Q311 HydrophobicContact CD2-CG 4.26Å; Y280-Q311 HydrophobicContact CE2-CG 4.45Å; Y280-Q311 HydrophobicContact CG-CG 4.35Å; Y307-Q311 PolarHBondContact O-N 3.33Å; Q308-Q311 PolarHBondContact O-N 3.28Å; H309-Q311 VanDerWaalsContact C-N 3.33Å; H309-Q311 PolarHBondContact O-N 3.03Å; Q311-N313 VanDerWaalsContact C-N 3.33Å; Q311-N313 PolarHBondContact O-N 2.96Å; Q311-K314 PolarHBondContact O-N 3.49Å
312	I	84.4	Confident	80.8	Confident	131 Å²	131	68 Å²	68	67%	0.672	34%	0.338	S	S	*	.	H	α-helix	trans	-63.2	-41.8	-179.8	-69.6	166.7	0	0	0	110.7	Q308 K314	Q308-I312 WeakPolarHBondContact O-CB 3.37Å; Q308-I312 VanDerWaalsContact O-CG1 3.23Å; Q308-I312 WeakPolarHBondContact O-CG1 3.32Å; Q308-I312 PolarHBondContact O-N 3.45Å; I312-K314 VanDerWaalsContact C-N 3.31Å
313	N	82.9	Confident	80.4	Confident	83 Å²	83	63.6 Å²	63.6	44%	0.444	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	8.3	-177	-65.8	-34.8	0	0	0	113.6	H309 Q311 K315	H309-N313 PolarHBondContact CD2-ND2 3.44Å; H309-N313 PolarHBondContact NE2-ND2 3.03Å; H309-N313 WeakPolarHBondContact O-CB 3.46Å; H309-N313 PolarHBondContact O-N 3.28Å; H309-N313 VanDerWaalsContact O-N 3.11Å; H309-N313 PolarHBondContact O-ND2 3.43Å; Q311-N313 VanDerWaalsContact C-N 3.33Å; Q311-N313 PolarHBondContact O-N 2.96Å; N313-K315 VanDerWaalsContact C-N 3.25Å; N313-K315 HydrophobicContact CB-CD 4.33Å; N313-K315 HydrophobicContact CB-CG 3.93Å; N313-K315 PolarHBondContact O-N 2.95Å
314	K	78.8	Confident	80	Confident	163 Å²	163	67.5 Å²	67.5	71%	0.709	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	40.4	-180	-55.9	-170	177.3	-172.3	0	114.8	Y280 L310 Q311 I312	Y280-K314 WeakPolarHBondContact OH-CA 3.3Å; Y280-K314 WeakPolarHBondContact OH-CB 3.44Å; L310-K314 WeakPolarHBondContact O-CA 3.39Å; L310-K314 PolarHBondContact O-N 3.12Å; Q311-K314 PolarHBondContact O-N 3.49Å; I312-K314 VanDerWaalsContact C-N 3.31Å
315	K	76.9	Confident	79.6	Confident	27 Å²	27	73.4 Å²	73.4	12%	0.117	37%	0.366	C	S	.	.			trans	-87.1	119.2	-178.2	-58.3	-162	178.3	-153.7	0	110	L310 N313 E390 D441	L310-K315 HydrophobicContact CD2-CB 3.71Å; L310-K315 PolarHBondContact O-N 3.14Å; N313-K315 VanDerWaalsContact C-N 3.25Å; N313-K315 HydrophobicContact CB-CD 4.33Å; N313-K315 HydrophobicContact CB-CG 3.93Å; N313-K315 PolarHBondContact O-N 2.95Å; K315-E390 IonicContact NZ-OE2 2.93Å; K315-E390 PolarHBondContact NZ-OE2 3.43Å; K315-D441 VanDerWaalsContact CD-OD1 3.29Å; K315-D441 WeakPolarHBondContact CD-OD1 3.34Å; K315-D441 VanDerWaalsContact CD-OD2 3.26Å; K315-D441 WeakPolarHBondContact CD-OD2 3.47Å; K315-D441 VanDerWaalsContact CE-OD2 3.3Å; K315-D441 WeakPolarHBondContact CE-OD2 3.36Å; K315-D441 IonicContact NZ-OD1 2.65Å; K315-D441 PolarHBondContact NZ-OD1 3.33Å; K315-D441 IonicContact NZ-OD2 3.12Å; K315-D441 PolarHBondContact NZ-OD2 3.15Å
316	M	72.3	Confident	79.4	Confident	79 Å²	79	73.3 Å²	73.3	39%	0.389	37%	0.365	S	S	.	.			trans	-86.8	128.7	178.4	-70.3	-177.3	-85.7	0	0	110.3	F279 I322	F279-M316 HydrophobicContact CD1-CG 4.38Å; F279-M316 HydrophobicContact CD1-SD 3.74Å; F279-M316 HydrophobicContact CE1-SD 4.09Å; M316-I322 HydrophobicContact CG-CD1 4.4Å; M316-I322 HydrophobicContact SD-CD1 3.45Å; M316-I322 WeakPolarHBondContact SD-CD1 3.49Å
317	T	66.4	Low	79.5	Confident	52 Å²	52	74.3 Å²	74.3	32%	0.319	38%	0.379	S	S	.	.	S	Bend	trans	-92.5	-22.1	177.4	52.6	0	0	0	0	112.9	W306 L310	W306-T317 HydrophobicContact CH2-CG2 4.4Å; W306-T317 HydrophobicContact CZ2-CG2 4.47Å; L310-T317 HydrophobicContact CD1-CG2 3.68Å; L310-T317 HydrophobicContact CD2-CG2 4.13Å
318	N	70.1	Confident	79.4	Confident	89 Å²	89	79.5 Å²	79.5	48%	0.476	40%	0.404	S	S	.	.			trans	-133.9	78	178.3	-167.4	-10.9	0	0	0	111.4	V320 A321	N318-V320 VanDerWaalsContact C-N 3.25Å; N318-V320 PolarHBondContact O-N 3.18Å; N318-V320 PolarHBondContact OD1-N 3.48Å; N318-A321 HydrophobicContact CB-CB 4.4Å; N318-A321 PolarHBondContact OD1-N 3.45Å
319	E	75.1	Confident	79.3	Confident	34 Å²	34	84.9 Å²	84.9	16%	0.159	42%	0.42	C	S	.	.	H	α-helix	trans	-63.7	-33.2	175.9	-170.2	173.1	-175.2	0	0	111.7	A321 I322 L323 H339	E319-A321 VanDerWaalsContact C-N 3.35Å; E319-A321 PolarHBondContact O-N 2.9Å; E319-I322 PolarHBondContact O-N 3.03Å; E319-I322 VanDerWaalsContact O-N 3.13Å; E319-L323 HydrophobicContact CG-CD1 3.74Å; E319-L323 HydrophobicContact CG-CG 4.13Å; E319-L323 WeakPolarHBondContact O-CG 3.15Å; E319-L323 PolarHBondContact O-N 3.41Å; E319-H339 IonicContact OE1-NE2 2.75Å; E319-H339 IonicContact OE2-CE1 3.2Å; E319-H339 PolarHBondContact OE2-CE1 3.45Å; E319-H339 IonicContact OE2-NE2 3.33Å; E319-H339 PolarHBondContact OE2-NE2 3Å
320	V	73.4	Confident	79.4	Confident	88 Å²	88	87.6 Å²	87.6	53%	0.533	44%	0.436	S	S	.	.	H	α-helix	trans	-60.2	-42.9	-179	-177.1	0	0	0	0	111.7	N318 I322 L323 Q324	N318-V320 VanDerWaalsContact C-N 3.25Å; N318-V320 PolarHBondContact O-N 3.18Å; N318-V320 PolarHBondContact OD1-N 3.48Å; V320-I322 PolarHBondContact O-N 3.25Å; V320-L323 PolarHBondContact O-N 3.08Å; V320-Q324 WeakPolarHBondContact O-CB 3.38Å; V320-Q324 PolarHBondContact O-N 3.4Å
321	A	75.4	Confident	79.4	Confident	39 Å²	39	91.3 Å²	91.3	32%	0.322	45%	0.449	S	S	.	.	H	α-helix	trans	-63.4	-27.7	179.3	0	0	0	0	0	113.3	N318 E319 Q324	N318-A321 HydrophobicContact CB-CB 4.4Å; N318-A321 PolarHBondContact OD1-N 3.45Å; E319-A321 VanDerWaalsContact C-N 3.35Å; E319-A321 PolarHBondContact O-N 2.9Å; A321-Q324 WeakPolarHBondContact O-CG 3.28Å; A321-Q324 PolarHBondContact O-NE2 3.36Å; A321-Q324 VanDerWaalsContact O-NE2 3.09Å
322	I	76.7	Confident	79.5	Confident	60 Å²	60	87.2 Å²	87.2	31%	0.308	44%	0.435	S	S	.	.	H	α-helix	trans	-83.5	-42.8	178.7	-62.9	159.7	0	0	0	109.8	F279 M316 E319 V320 Q324	F279-I322 HydrophobicContact CD1-CD1 3.49Å; F279-I322 VanDerWaalsContact CD1-CD1 3.49Å; F279-I322 HydrophobicContact CD1-CG1 4.45Å; F279-I322 HydrophobicContact CE1-CD1 3.68Å; F279-I322 HydrophobicContact CE1-CG1 4.37Å; F279-I322 HydrophobicContact CE1-CG2 4.32Å; M316-I322 HydrophobicContact CG-CD1 4.4Å; M316-I322 HydrophobicContact SD-CD1 3.45Å; M316-I322 WeakPolarHBondContact SD-CD1 3.49Å; E319-I322 PolarHBondContact O-N 3.03Å; E319-I322 VanDerWaalsContact O-N 3.13Å; V320-I322 PolarHBondContact O-N 3.25Å; I322-Q324 VanDerWaalsContact C-N 3.27Å; I322-Q324 PolarHBondContact O-N 2.86Å
323	L	80.1	Confident	79.6	Confident	23 Å²	23	87.2 Å²	87.2	12%	0.12	43%	0.432	C	S	.	.	H	α-helix	trans	-77.9	-8.1	-178	-58.1	-179.5	0	0	0	113.7	E319 V320 H325 L326 R331 V334	E319-L323 HydrophobicContact CG-CD1 3.74Å; E319-L323 HydrophobicContact CG-CG 4.13Å; E319-L323 WeakPolarHBondContact O-CG 3.15Å; E319-L323 PolarHBondContact O-N 3.41Å; V320-L323 PolarHBondContact O-N 3.08Å; L323-H325 PolarHBondContact O-N 3.4Å; L323-H325 VanDerWaalsContact O-N 3.13Å; L323-L326 HydrophobicContact CB-CD1 4.48Å; L323-L326 HydrophobicContact CD2-CD1 3.72Å; L323-L326 WeakPolarHBondContact O-CB 3.45Å; L323-L326 PolarHBondContact O-N 2.87Å; L323-R331 HydrophobicContact CB-CG 3.95Å; L323-R331 HydrophobicContact CD1-CG 4.31Å; L323-V334 HydrophobicContact CD1-CG1 4.42Å; L323-V334 HydrophobicContact CD2-CG1 4.08Å
324	Q	80.9	Confident	79.9	Confident	117 Å²	117	85.8 Å²	85.8	55%	0.547	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.4	180	75.1	-171.9	-11.1	0	0	113.9	V320 A321 I322 L326	V320-Q324 WeakPolarHBondContact O-CB 3.38Å; V320-Q324 PolarHBondContact O-N 3.4Å; A321-Q324 WeakPolarHBondContact O-CG 3.28Å; A321-Q324 PolarHBondContact O-NE2 3.36Å; A321-Q324 VanDerWaalsContact O-NE2 3.09Å; I322-Q324 VanDerWaalsContact C-N 3.27Å; I322-Q324 PolarHBondContact O-N 2.86Å; Q324-L326 VanDerWaalsContact C-N 3.32Å
325	H	80.5	Confident	80.1	Confident	153 Å²	153	78.4 Å²	78.4	71%	0.708	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-11.5	179.2	-61.4	-63.6	0	0	0	113.2	L323	L323-H325 PolarHBondContact O-N 3.4Å; L323-H325 VanDerWaalsContact O-N 3.13Å
326	L	84.6	Confident	80.5	Confident	65 Å²	65	78.4 Å²	78.4	34%	0.34	40%	0.397	S	S	.	.	S	Bend	trans	-84.5	143	175.6	-65.5	169.5	0	0	0	110	L323 Q324 L330 R331 V334	L323-L326 HydrophobicContact CB-CD1 4.48Å; L323-L326 HydrophobicContact CD2-CD1 3.72Å; L323-L326 WeakPolarHBondContact O-CB 3.45Å; L323-L326 PolarHBondContact O-N 2.87Å; Q324-L326 VanDerWaalsContact C-N 3.32Å; L326-L330 HydrophobicContact CB-CB 4.37Å; L326-R331 HydrophobicContact CB-CB 4.33Å; L326-V334 HydrophobicContact CD1-CG2 4.38Å
327	P	88.8	Confident	81.2	Confident	82 Å²	82	78.9 Å²	78.9	53%	0.532	41%	0.409	S	S	.	.			trans	-52.2	145.8	164.2	-23.6	32.2	0	0	0	111.1	R329 L330 R331	P327-R329 PolarHBondContact O-N 3.2Å; P327-R329 VanDerWaalsContact O-N 3.1Å; P327-L330 HydrophobicContact CG-CD1 4.24Å; P327-L330 PolarHBondContact O-N 3.01Å; P327-R331 PolarHBondContact O-N 2.95Å
328	E	83.1	Confident	82	Confident	145 Å²	145	79.1 Å²	79.1	68%	0.678	41%	0.41	S	S	*	.	H	α-helix	trans	-50.6	-41.4	-174.9	-178.1	171.4	-154.9	0	0	113.6	R331 A332	E328-R331 PolarHBondContact O-N 2.97Å; E328-A332 PolarHBondContact O-N 3.46Å
329	R	84.6	Confident	82.7	Confident	213 Å²	213	75 Å²	75	80%	0.804	39%	0.388	S	S	*	.	H	α-helix	trans	-62.1	-46.2	177	-65	-173.2	-178.7	175.7	-0	112.8	P327 A332 E333	P327-R329 PolarHBondContact O-N 3.2Å; P327-R329 VanDerWaalsContact O-N 3.1Å; R329-A332 PolarHBondContact O-N 3.2Å; R329-E333 WeakPolarHBondContact O-CG 3.45Å; R329-E333 PolarHBondContact O-N 2.91Å
330	L	87.6	Confident	83.2	Confident	82 Å²	82	75.9 Å²	75.9	43%	0.429	39%	0.393	S	S	.	.	H	α-helix	trans	-69.2	-36.5	179.1	-71	178.8	0	0	0	111.5	L326 P327 A332 E333 V334	L326-L330 HydrophobicContact CB-CB 4.37Å; P327-L330 HydrophobicContact CG-CD1 4.24Å; P327-L330 PolarHBondContact O-N 3.01Å; L330-A332 VanDerWaalsContact C-N 3.31Å; L330-A332 PolarHBondContact O-N 3.21Å; L330-E333 PolarHBondContact O-N 3.48Å; L330-V334 VanDerWaalsContact O-CG2 3.28Å; L330-V334 WeakPolarHBondContact O-CG2 3.26Å; L330-V334 PolarHBondContact O-N 3.39Å
331	R	84.9	Confident	83.8	Confident	81 Å²	81	74.7 Å²	74.7	31%	0.306	39%	0.389	S	S	.	.	H	α-helix	trans	-59.9	-43.6	173	179.2	176.4	68.8	-175.4	1.1	111.3	L323 L326 P327 E328 V334 A335	L323-R331 HydrophobicContact CB-CG 3.95Å; L323-R331 HydrophobicContact CD1-CG 4.31Å; L326-R331 HydrophobicContact CB-CB 4.33Å; P327-R331 PolarHBondContact O-N 2.95Å; E328-R331 PolarHBondContact O-N 2.97Å; R331-V334 PolarHBondContact O-N 3.33Å; R331-A335 WeakPolarHBondContact O-CB 3.4Å; R331-A335 PolarHBondContact O-N 2.94Å
332	A	82.8	Confident	84.2	Confident	26 Å²	26	73.2 Å²	73.2	22%	0.215	38%	0.376	C	S	.	.	H	α-helix	trans	-64.1	-47.5	176.7	0	0	0	0	0	112.2	E328 R329 L330 V334 A335 V336 L362	E328-A332 PolarHBondContact O-N 3.46Å; R329-A332 PolarHBondContact O-N 3.2Å; L330-A332 VanDerWaalsContact C-N 3.31Å; L330-A332 PolarHBondContact O-N 3.21Å; A332-V334 VanDerWaalsContact C-N 3.31Å; A332-V334 PolarHBondContact O-N 3.41Å; A332-A335 PolarHBondContact O-N 2.96Å; A332-V336 WeakPolarHBondContact O-CB 3.39Å; A332-V336 VanDerWaalsContact O-CG2 3.24Å; A332-V336 WeakPolarHBondContact O-CG2 3.42Å; A332-V336 PolarHBondContact O-N 2.9Å; A332-L362 HydrophobicContact CB-CD1 4.34Å; A332-L362 HydrophobicContact CB-CD2 3.98Å
333	E	86.4	Confident	84.6	Confident	130 Å²	130	70.5 Å²	70.5	61%	0.607	36%	0.362	S	S	*	.	H	α-helix	trans	-57.5	-43.5	176.7	-74.1	178	-160.6	0	0	112.3	R329 L330 S337	R329-E333 WeakPolarHBondContact O-CG 3.45Å; R329-E333 PolarHBondContact O-N 2.91Å; L330-E333 PolarHBondContact O-N 3.48Å; E333-S337 WeakPolarHBondContact O-CB 3.32Å; E333-S337 PolarHBondContact O-N 2.9Å; E333-S337 PolarHBondContact O-OG 2.96Å
334	V	87.6	Confident	84.9	Confident	53 Å²	53	71.9 Å²	71.9	32%	0.321	37%	0.373	S	S	.	.	H	α-helix	trans	-63.1	-51.4	176.3	172.3	0	0	0	0	110.6	L323 L326 L330 R331 A332 V336 S337 V338	L323-V334 HydrophobicContact CD1-CG1 4.42Å; L323-V334 HydrophobicContact CD2-CG1 4.08Å; L326-V334 HydrophobicContact CD1-CG2 4.38Å; L330-V334 VanDerWaalsContact O-CG2 3.28Å; L330-V334 WeakPolarHBondContact O-CG2 3.26Å; L330-V334 PolarHBondContact O-N 3.39Å; R331-V334 PolarHBondContact O-N 3.33Å; A332-V334 VanDerWaalsContact C-N 3.31Å; A332-V334 PolarHBondContact O-N 3.41Å; V334-V336 VanDerWaalsContact C-N 3.35Å; V334-V336 PolarHBondContact O-N 3.39Å; V334-S337 PolarHBondContact O-N 3.05Å; V334-S337 PolarHBondContact O-OG 3.19Å; V334-V338 WeakPolarHBondContact O-CG2 3.23Å; V334-V338 PolarHBondContact O-N 2.91Å; V334-V338 VanDerWaalsContact O-N 3.13Å
335	A	83.9	Confident	85.1	Confident	8 Å²	8	73.3 Å²	73.3	7%	0.066	37%	0.374	C	S	.	.	H	α-helix	trans	-58.5	-46.1	-178.6	0	0	0	0	0	111.8	R331 A332 S337 V338 H339 V361 L362	R331-A335 WeakPolarHBondContact O-CB 3.4Å; R331-A335 PolarHBondContact O-N 2.94Å; A332-A335 PolarHBondContact O-N 2.96Å; A335-S337 PolarHBondContact O-N 3.13Å; A335-V338 PolarHBondContact O-N 3.39Å; A335-H339 PolarHBondContact O-N 2.97Å; A335-V361 HydrophobicContact CB-CG1 3.72Å; A335-V361 VanDerWaalsContact O-CG1 3.25Å; A335-V361 WeakPolarHBondContact O-CG1 3.37Å; A335-L362 HydrophobicContact CB-CD2 4.09Å
336	V	86.4	Confident	85.3	Confident	27 Å²	27	66 Å²	66	16%	0.164	34%	0.34	C	S	.	.	H	α-helix	trans	-59.5	-46.7	176.7	173.5	0	0	0	0	110.6	A332 V334 V338 L340 E358 V361	A332-V336 WeakPolarHBondContact O-CB 3.39Å; A332-V336 VanDerWaalsContact O-CG2 3.24Å; A332-V336 WeakPolarHBondContact O-CG2 3.42Å; A332-V336 PolarHBondContact O-N 2.9Å; V334-V336 VanDerWaalsContact C-N 3.35Å; V334-V336 PolarHBondContact O-N 3.39Å; V336-V338 PolarHBondContact O-N 3.49Å; V336-L340 HydrophobicContact CG1-CB 4.09Å; V336-L340 HydrophobicContact CG1-CD2 3.8Å; V336-L340 HydrophobicContact CG1-CG 4.4Å; V336-L340 WeakPolarHBondContact O-CB 3.34Å; V336-L340 PolarHBondContact O-N 3.02Å; V336-E358 HydrophobicContact CG1-CG 4.2Å; V336-E358 HydrophobicContact CG2-CB 4.06Å; V336-E358 HydrophobicContact CG2-CG 3.85Å; V336-V361 HydrophobicContact CG2-CG1 4.48Å
337	S	86.3	Confident	85	Confident	90 Å²	90	68 Å²	68	63%	0.629	35%	0.348	S	S	*	.	H	α-helix	trans	-60.7	-32.6	-179.8	76.4	0	0	0	0	113.6	E333 V334 A335	E333-S337 WeakPolarHBondContact O-CB 3.32Å; E333-S337 PolarHBondContact O-N 2.9Å; E333-S337 PolarHBondContact O-OG 2.96Å; V334-S337 PolarHBondContact O-N 3.05Å; V334-S337 PolarHBondContact O-OG 3.19Å; A335-S337 PolarHBondContact O-N 3.13Å
338	V	83.8	Confident	84.6	Confident	56 Å²	56	64.5 Å²	64.5	34%	0.339	32%	0.324	S	S	.	.	H	α-helix	trans	-85.6	-45.9	-177.1	179.6	0	0	0	0	111.6	V334 A335 V336	V334-V338 WeakPolarHBondContact O-CG2 3.23Å; V334-V338 PolarHBondContact O-N 2.91Å; V334-V338 VanDerWaalsContact O-N 3.13Å; A335-V338 PolarHBondContact O-N 3.39Å; V336-V338 PolarHBondContact O-N 3.49Å
339	H	84.6	Confident	84.5	Confident	4 Å²	4	57.9 Å²	57.9	2%	0.019	29%	0.293	C	S	.	.	H	α-helix	trans	-103.3	-22.1	-165	-60.1	-48.7	0	0	0	114.4	E319 A335 S341 T342 L343 V361 F443	E319-H339 IonicContact OE1-NE2 2.75Å; E319-H339 IonicContact OE2-CE1 3.2Å; E319-H339 PolarHBondContact OE2-CE1 3.45Å; E319-H339 IonicContact OE2-NE2 3.33Å; E319-H339 PolarHBondContact OE2-NE2 3Å; A335-H339 PolarHBondContact O-N 2.97Å; H339-S341 VanDerWaalsContact C-N 3.28Å; H339-S341 PolarHBondContact O-N 3.08Å; H339-T342 PolarHBondContact O-N 3.26Å; H339-L343 PolarHBondContact O-N 3.48Å; H339-L343 VanDerWaalsContact O-N 3.12Å; H339-V361 HydrophobicContact CB-CB 4.5Å; H339-V361 HydrophobicContact CB-CG1 3.84Å; H339-V361 HydrophobicContact CB-CG2 3.96Å; H339-F443 AromaticContact CE1-CE1 3.62Å; H339-F443 AromaticContact CE1-CZ 3.57Å; H339-F443 AromaticContact ND1-CE1 3.6Å; H339-F443 AromaticContact ND1-CZ 3.14Å; H339-F443 WeakPolarHBondContact ND1-CZ 3.44Å
340	L	85.9	Confident	84.3	Confident	51 Å²	51	52.9 Å²	52.9	27%	0.267	28%	0.279	S	S	.	.	H	α-helix	trans	-59.1	-37.1	-175.5	-175.3	69.3	0	0	0	112.7	V336 T342 L343 S344 L357	V336-L340 HydrophobicContact CG1-CB 4.09Å; V336-L340 HydrophobicContact CG1-CD2 3.8Å; V336-L340 HydrophobicContact CG1-CG 4.4Å; V336-L340 WeakPolarHBondContact O-CB 3.34Å; V336-L340 PolarHBondContact O-N 3.02Å; L340-T342 PolarHBondContact O-N 3.47Å; L340-L343 PolarHBondContact O-N 3.04Å; L340-S344 WeakPolarHBondContact O-CB 3.43Å; L340-S344 PolarHBondContact O-N 3.4Å; L340-S344 PolarHBondContact O-OG 3.32Å; L340-L357 HydrophobicContact CD1-CB 3.57Å; L340-L357 HydrophobicContact CD1-CD1 4.1Å; L340-L357 HydrophobicContact CD1-CG 4.5Å
341	S	84.8	Confident	84	Confident	64 Å²	64	56.7 Å²	56.7	45%	0.448	30%	0.3	S	S	.	.	H	α-helix	trans	-64.4	-27.9	177.4	68.3	0	0	0	0	113.2	H339 S344 R345	H339-S341 VanDerWaalsContact C-N 3.28Å; H339-S341 PolarHBondContact O-N 3.08Å; S341-S344 WeakPolarHBondContact CA-OG 3.33Å; S341-S344 PolarHBondContact O-OG 3Å; S341-R345 WeakPolarHBondContact O-CG 3.22Å; S341-R345 PolarHBondContact O-NE 3.22Å
342	T	83.6	Confident	83.9	Confident	8 Å²	8	54.2 Å²	54.2	5%	0.049	30%	0.295	C	S	.	.	H	α-helix	trans	-81.2	-44.3	176.5	-56.7	0	0	0	0	110.2	H339 L340 R345 V346 R389 F443	H339-T342 PolarHBondContact O-N 3.26Å; L340-T342 PolarHBondContact O-N 3.47Å; T342-R345 PolarHBondContact O-N 3.15Å; T342-R345 PolarHBondContact OG1-NH2 3.12Å; T342-V346 WeakPolarHBondContact O-CG2 3.49Å; T342-R389 HydrophobicContact CG2-CB 4.28Å; T342-R389 HydrophobicContact CG2-CG 4.16Å; T342-F443 HydrophobicContact CG2-CD2 4.42Å; T342-F443 HydrophobicContact CG2-CE2 4.05Å
343	L	85.8	Confident	84.1	Confident	3 Å²	3	58.4 Å²	58.4	2%	0.016	31%	0.31	C	S	.	.	H	α-helix	trans	-65.1	-42.6	-178.5	-130.4	154.8	0	0	0	112.2	H339 L340 R345 V346 F349 L357 L360 V361 L364	H339-L343 PolarHBondContact O-N 3.48Å; H339-L343 VanDerWaalsContact O-N 3.12Å; L340-L343 PolarHBondContact O-N 3.04Å; L343-R345 PolarHBondContact O-N 3.16Å; L343-V346 WeakPolarHBondContact O-CB 3.34Å; L343-V346 WeakPolarHBondContact O-CG2 3.49Å; L343-V346 PolarHBondContact O-N 3.39Å; L343-F349 HydrophobicContact CD2-CB 3.97Å; L343-F349 HydrophobicContact CD2-CD1 4.37Å; L343-F349 HydrophobicContact CD2-CD2 3.33Å; L343-F349 HydrophobicContact CD2-CE2 3.86Å; L343-F349 HydrophobicContact CD2-CG 3.65Å; L343-F349 HydrophobicContact CG-CD2 4.45Å; L343-L357 HydrophobicContact CD2-CD2 3.71Å; L343-L360 HydrophobicContact CD1-CB 4.08Å; L343-L360 HydrophobicContact CD2-CD1 4.29Å; L343-V361 HydrophobicContact CD1-CG2 3.56Å; L343-L364 HydrophobicContact CD1-CD1 3.45Å; L343-L364 VanDerWaalsContact CD1-CD1 3.45Å; L343-L364 HydrophobicContact CD1-CG 4.17Å; L343-L364 HydrophobicContact CG-CD1 4.36Å
344	S	85.8	Confident	84	Confident	51 Å²	51	55 Å²	55	36%	0.357	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-23.5	176.3	53.7	0	0	0	0	114.3	L340 S341 V346 Q350	L340-S344 WeakPolarHBondContact O-CB 3.43Å; L340-S344 PolarHBondContact O-N 3.4Å; L340-S344 PolarHBondContact O-OG 3.32Å; S341-S344 WeakPolarHBondContact CA-OG 3.33Å; S341-S344 PolarHBondContact O-OG 3Å; S344-V346 VanDerWaalsContact C-N 3.33Å; S344-Q350 VanDerWaalsContact O-CG 3.28Å; S344-Q350 WeakPolarHBondContact O-CG 3.36Å
345	R	85	Confident	83.9	Confident	147 Å²	147	55.5 Å²	55.5	56%	0.555	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-18.6	175.4	-74.6	-178.7	-74.1	171.5	0.2	112.8	S341 T342 L343 Q347 Q350	S341-R345 WeakPolarHBondContact O-CG 3.22Å; S341-R345 PolarHBondContact O-NE 3.22Å; T342-R345 PolarHBondContact O-N 3.15Å; T342-R345 PolarHBondContact OG1-NH2 3.12Å; L343-R345 PolarHBondContact O-N 3.16Å; R345-Q347 PolarHBondContact O-N 3.38Å; R345-Q350 PolarHBondContact O-NE2 3.27Å
346	V	85	Confident	84.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.307	C	S	.	.	S	Bend	trans	-72.1	126.3	-176.4	-173.3	0	0	0	0	110.3	T342 L343 S344 I348 F349 Q350 I387 G410 Y412	T342-V346 WeakPolarHBondContact O-CG2 3.49Å; L343-V346 WeakPolarHBondContact O-CB 3.34Å; L343-V346 WeakPolarHBondContact O-CG2 3.49Å; L343-V346 PolarHBondContact O-N 3.39Å; S344-V346 VanDerWaalsContact C-N 3.33Å; V346-I348 HydrophobicContact CG1-CG2 3.94Å; V346-I348 PolarHBondContact O-N 3.45Å; V346-F349 HydrophobicContact CB-CB 4.48Å; V346-F349 HydrophobicContact CB-CD2 3.9Å; V346-F349 HydrophobicContact CG1-CD2 3.93Å; V346-F349 HydrophobicContact CG1-CE2 4.44Å; V346-F349 HydrophobicContact CG2-CD2 4.48Å; V346-F349 PolarHBondContact O-N 3.41Å; V346-Q350 WeakPolarHBondContact O-CG 3.23Å; V346-Q350 PolarHBondContact O-N 3.22Å; V346-Q350 VanDerWaalsContact O-N 3.11Å; V346-I387 HydrophobicContact CG2-CG2 3.47Å; V346-I387 VanDerWaalsContact CG2-CG2 3.47Å; V346-G410 WeakPolarHBondContact CA-O 3.19Å; V346-Y412 HydrophobicContact CG1-CD1 3.42Å; V346-Y412 VanDerWaalsContact CG1-CD1 3.42Å; V346-Y412 HydrophobicContact CG1-CE1 4.17Å; V346-Y412 HydrophobicContact CG1-CG 4.08Å
347	Q	78.8	Confident	84.1	Confident	107 Å²	107	54.5 Å²	54.5	50%	0.5	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-20.3	-172.5	-66.8	-173.8	-2.9	0	0	115.9	R345 K467	R345-Q347 PolarHBondContact O-N 3.38Å; Q347-K467 PolarHBondContact O-NZ 2.75Å
348	I	79.2	Confident	84.1	Confident	8 Å²	8	54.5 Å²	54.5	4%	0.041	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-23.5	177.7	-156.8	164.9	0	0	0	112.5	V346 Y412 M464 K467	V346-I348 HydrophobicContact CG1-CG2 3.94Å; V346-I348 PolarHBondContact O-N 3.45Å; I348-Y412 HydrophobicContact CB-CD1 4.46Å; I348-Y412 HydrophobicContact CB-CE1 3.73Å; I348-Y412 HydrophobicContact CB-CE2 4.42Å; I348-Y412 HydrophobicContact CD1-CE2 3.83Å; I348-Y412 WeakPolarHBondContact CD1-OH 3.4Å; I348-Y412 HydrophobicContact CG2-CD1 4.24Å; I348-Y412 HydrophobicContact CG2-CE1 3.99Å; I348-Y412 HydrophobicContact CG2-CE2 4.48Å; I348-M464 HydrophobicContact CD1-CB 4.26Å; I348-M464 HydrophobicContact CD1-CE 3.85Å; I348-M464 HydrophobicContact CD1-CG 3.21Å; I348-M464 HydrophobicContact CD1-SD 4.37Å; I348-M464 HydrophobicContact CG1-CG 4.05Å; I348-K467 HydrophobicContact CG1-CD 4.45Å
349	F	82.4	Confident	84.2	Confident	6 Å²	6	53.8 Å²	53.8	3%	0.026	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-4.6	-174.1	-63.5	-52.5	0	0	0	113.4	L343 V346 N351 C352 L357 L360 M385 I387 M464	L343-F349 HydrophobicContact CD2-CB 3.97Å; L343-F349 HydrophobicContact CD2-CD1 4.37Å; L343-F349 HydrophobicContact CD2-CD2 3.33Å; L343-F349 HydrophobicContact CD2-CE2 3.86Å; L343-F349 HydrophobicContact CD2-CG 3.65Å; L343-F349 HydrophobicContact CG-CD2 4.45Å; V346-F349 HydrophobicContact CB-CB 4.48Å; V346-F349 HydrophobicContact CB-CD2 3.9Å; V346-F349 HydrophobicContact CG1-CD2 3.93Å; V346-F349 HydrophobicContact CG1-CE2 4.44Å; V346-F349 HydrophobicContact CG2-CD2 4.48Å; V346-F349 PolarHBondContact O-N 3.41Å; F349-N351 VanDerWaalsContact C-N 3.26Å; F349-N351 PolarHBondContact O-N 2.77Å; F349-C352 WeakPolarHBondContact O-CB 3.36Å; F349-C352 PolarHBondContact O-N 3.4Å; F349-L357 HydrophobicContact CB-CD2 3.69Å; F349-L357 HydrophobicContact CD1-CD2 4.42Å; F349-L357 HydrophobicContact CG-CD2 4.22Å; F349-L360 HydrophobicContact CD1-CD1 4.05Å; F349-L360 HydrophobicContact CE1-CD1 3.6Å; F349-L360 HydrophobicContact CZ-CD1 3.96Å; F349-M385 HydrophobicContact CE2-CE 4.35Å; F349-M385 HydrophobicContact CZ-CE 4.36Å; F349-I387 HydrophobicContact CE2-CD1 3.95Å; F349-M464 HydrophobicContact CE1-CE 3.94Å; F349-M464 HydrophobicContact CZ-CE 3.73Å
350	Q	80.4	Confident	84.4	Confident	109 Å²	109	53.7 Å²	53.7	51%	0.509	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-33.1	179.9	-81.8	173.2	11.9	0	0	114.2	S344 R345 V346	S344-Q350 VanDerWaalsContact O-CG 3.28Å; S344-Q350 WeakPolarHBondContact O-CG 3.36Å; R345-Q350 PolarHBondContact O-NE2 3.27Å; V346-Q350 WeakPolarHBondContact O-CG 3.23Å; V346-Q350 PolarHBondContact O-N 3.22Å; V346-Q350 VanDerWaalsContact O-N 3.11Å
351	N	80.4	Confident	84.5	Confident	161 Å²	161	51.4 Å²	51.4	86%	0.861	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	14	-178.5	-62.4	-23.5	0	0	0	112.6	F349	F349-N351 VanDerWaalsContact C-N 3.26Å; F349-N351 PolarHBondContact O-N 2.77Å
352	C	83.5	Confident	84.4	Confident	29 Å²	29	52.4 Å²	52.4	20%	0.196	27%	0.273	C	S	.	.	S	Bend	trans	-86.1	154.7	178.6	-74.9	0	0	0	0	111.4	F349 L356 L357	F349-C352 WeakPolarHBondContact O-CB 3.36Å; F349-C352 PolarHBondContact O-N 3.4Å; C352-L356 HydrophobicContact CB-CD2 3.8Å; C352-L357 HydrophobicContact CB-CD2 4.14Å
353	E	86	Confident	84.6	Confident	114 Å²	114	53.9 Å²	53.9	53%	0.533	28%	0.279	S	S	.	.			trans	-63.5	146.7	174.1	-63.1	-179	174.5	0	0	111.2	S355 L356 L357	E353-S355 VanDerWaalsContact C-N 3.28Å; E353-S355 PolarHBondContact O-N 2.97Å; E353-L356 WeakPolarHBondContact O-CB 3.16Å; E353-L356 PolarHBondContact O-N 3.29Å; E353-L357 PolarHBondContact O-N 3.44Å
354	A	84.9	Confident	84.6	Confident	60 Å²	60	54.4 Å²	54.4	50%	0.496	28%	0.282	S	S	.	.	H	α-helix	trans	-60.7	-37.3	-178.3	0	0	0	0	0	112.4	L356 L357 E358	A354-L356 VanDerWaalsContact C-N 3.32Å; A354-L356 PolarHBondContact O-N 3.43Å; A354-L357 WeakPolarHBondContact O-CB 3.27Å; A354-L357 PolarHBondContact O-N 3.12Å; A354-E358 WeakPolarHBondContact O-CG 3.37Å; A354-E358 PolarHBondContact O-N 3.27Å
355	S	85.9	Confident	84.7	Confident	63 Å²	63	57 Å²	57	44%	0.441	29%	0.288	S	S	.	.	H	α-helix	trans	-60.2	-39.4	178.4	-55.8	0	0	0	0	112.7	E353 L357 E358 E359 Y457	E353-S355 VanDerWaalsContact C-N 3.28Å; E353-S355 PolarHBondContact O-N 2.97Å; S355-L357 PolarHBondContact O-N 3.38Å; S355-E358 PolarHBondContact O-N 3.32Å; S355-E359 PolarHBondContact O-N 3.39Å; S355-E359 VanDerWaalsContact O-N 3.12Å; S355-Y457 WeakPolarHBondContact CB-OH 3.42Å
356	L	87.8	Confident	84.8	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-62.1	-42.6	173	168.7	60	0	0	0	111.4	C352 E353 A354 E359 L360 V453 Y457 A460	C352-L356 HydrophobicContact CB-CD2 3.8Å; E353-L356 WeakPolarHBondContact O-CB 3.16Å; E353-L356 PolarHBondContact O-N 3.29Å; A354-L356 VanDerWaalsContact C-N 3.32Å; A354-L356 PolarHBondContact O-N 3.43Å; L356-E359 PolarHBondContact O-N 3.31Å; L356-L360 HydrophobicContact CD1-CD1 3.85Å; L356-L360 HydrophobicContact CD1-CG 4.01Å; L356-L360 HydrophobicContact CG-CD1 4.06Å; L356-L360 WeakPolarHBondContact O-CB 3.39Å; L356-L360 VanDerWaalsContact O-CG 3.28Å; L356-L360 WeakPolarHBondContact O-CG 3.38Å; L356-L360 PolarHBondContact O-N 2.99Å; L356-V453 HydrophobicContact CD1-CG1 3.2Å; L356-Y457 HydrophobicContact CB-CD1 3.95Å; L356-Y457 HydrophobicContact CB-CD2 4.05Å; L356-Y457 HydrophobicContact CB-CE1 3.96Å; L356-Y457 HydrophobicContact CB-CE2 4.09Å; L356-Y457 HydrophobicContact CB-CG 3.99Å; L356-Y457 HydrophobicContact CD1-CD2 3.65Å; L356-Y457 HydrophobicContact CD1-CE2 4.13Å; L356-Y457 HydrophobicContact CD1-CG 4.04Å; L356-Y457 HydrophobicContact CD2-CG 4.31Å; L356-Y457 HydrophobicContact CG-CD2 4.34Å; L356-Y457 HydrophobicContact CG-CG 4.35Å; L356-A460 HydrophobicContact CD2-CB 3.3Å
357	L	87.2	Confident	85	Confident	13 Å²	13	54 Å²	54	7%	0.068	28%	0.283	C	S	.	.	H	α-helix	trans	-66.6	-40.2	179.5	-55.4	-180	0	0	0	111.9	L340 L343 F349 C352 E353 A354 S355 E359 L360 V361	L340-L357 HydrophobicContact CD1-CB 3.57Å; L340-L357 HydrophobicContact CD1-CD1 4.1Å; L340-L357 HydrophobicContact CD1-CG 4.5Å; L343-L357 HydrophobicContact CD2-CD2 3.71Å; F349-L357 HydrophobicContact CB-CD2 3.69Å; F349-L357 HydrophobicContact CD1-CD2 4.42Å; F349-L357 HydrophobicContact CG-CD2 4.22Å; C352-L357 HydrophobicContact CB-CD2 4.14Å; E353-L357 PolarHBondContact O-N 3.44Å; A354-L357 WeakPolarHBondContact O-CB 3.27Å; A354-L357 PolarHBondContact O-N 3.12Å; S355-L357 PolarHBondContact O-N 3.38Å; L357-E359 VanDerWaalsContact C-N 3.34Å; L357-L360 PolarHBondContact O-N 2.99Å; L357-V361 WeakPolarHBondContact O-CB 3.47Å; L357-V361 VanDerWaalsContact O-CG2 3.24Å; L357-V361 WeakPolarHBondContact O-CG2 3.49Å; L357-V361 PolarHBondContact O-N 3.32Å
358	E	85.3	Confident	85.5	Confident	89 Å²	89	49.9 Å²	49.9	42%	0.416	27%	0.265	S	S	.	.	H	α-helix	trans	-61.7	-42.2	177.4	-70.5	176.1	-177	0	0	111.6	V336 A354 S355 V361 L362	V336-E358 HydrophobicContact CG1-CG 4.2Å; V336-E358 HydrophobicContact CG2-CB 4.06Å; V336-E358 HydrophobicContact CG2-CG 3.85Å; A354-E358 WeakPolarHBondContact O-CG 3.37Å; A354-E358 PolarHBondContact O-N 3.27Å; S355-E358 PolarHBondContact O-N 3.32Å; E358-V361 PolarHBondContact O-N 3.11Å; E358-L362 PolarHBondContact O-N 3.23Å
359	E	86.4	Confident	86.1	Confident	42 Å²	42	50.8 Å²	50.8	20%	0.196	27%	0.268	C	S	.	.	H	α-helix	trans	-69.9	-41.2	178.1	-161.4	-176.1	163.5	0	0	112.5	S355 L356 L357 V361 L362 K363 V453	S355-E359 PolarHBondContact O-N 3.39Å; S355-E359 VanDerWaalsContact O-N 3.12Å; L356-E359 PolarHBondContact O-N 3.31Å; L357-E359 VanDerWaalsContact C-N 3.34Å; E359-V361 VanDerWaalsContact C-N 3.33Å; E359-V361 PolarHBondContact O-N 3.19Å; E359-L362 PolarHBondContact O-N 3.09Å; E359-K363 IonicContact OE1-NZ 3.01Å; E359-V453 HydrophobicContact CB-CG1 4.44Å; E359-V453 HydrophobicContact CG-CG2 4.06Å
360	L	88.1	Confident	86.6	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-41.1	175.3	-73.8	173.1	0	0	0	111.8	L343 F349 L356 L357 L362 K363 L364 L445 L450 V453	L343-L360 HydrophobicContact CD1-CB 4.08Å; L343-L360 HydrophobicContact CD2-CD1 4.29Å; F349-L360 HydrophobicContact CD1-CD1 4.05Å; F349-L360 HydrophobicContact CE1-CD1 3.6Å; F349-L360 HydrophobicContact CZ-CD1 3.96Å; L356-L360 HydrophobicContact CD1-CD1 3.85Å; L356-L360 HydrophobicContact CD1-CG 4.01Å; L356-L360 HydrophobicContact CG-CD1 4.06Å; L356-L360 WeakPolarHBondContact O-CB 3.39Å; L356-L360 VanDerWaalsContact O-CG 3.28Å; L356-L360 WeakPolarHBondContact O-CG 3.38Å; L356-L360 PolarHBondContact O-N 2.99Å; L357-L360 PolarHBondContact O-N 2.99Å; L360-L362 PolarHBondContact O-N 3.48Å; L360-K363 PolarHBondContact O-N 3.05Å; L360-L364 WeakPolarHBondContact O-CG 3.32Å; L360-L364 PolarHBondContact O-N 3.44Å; L360-L445 HydrophobicContact CD2-CD1 4.48Å; L360-L445 HydrophobicContact CD2-CD2 3.76Å; L360-L450 HydrophobicContact CD2-CD1 4.01Å; L360-V453 HydrophobicContact CD2-CB 4.15Å; L360-V453 HydrophobicContact CD2-CG1 3.97Å; L360-V453 HydrophobicContact CD2-CG2 4.21Å; L360-V453 HydrophobicContact CG-CG1 4.1Å
361	V	87.4	Confident	87.2	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.018	27%	0.266	C	S	.	.	H	α-helix	trans	-56.5	-37.8	179	159.6	0	0	0	0	111.9	A335 V336 H339 L343 L357 E358 E359 K363 L364	A335-V361 HydrophobicContact CB-CG1 3.72Å; A335-V361 VanDerWaalsContact O-CG1 3.25Å; A335-V361 WeakPolarHBondContact O-CG1 3.37Å; V336-V361 HydrophobicContact CG2-CG1 4.48Å; H339-V361 HydrophobicContact CB-CB 4.5Å; H339-V361 HydrophobicContact CB-CG1 3.84Å; H339-V361 HydrophobicContact CB-CG2 3.96Å; L343-V361 HydrophobicContact CD1-CG2 3.56Å; L357-V361 WeakPolarHBondContact O-CB 3.47Å; L357-V361 VanDerWaalsContact O-CG2 3.24Å; L357-V361 WeakPolarHBondContact O-CG2 3.49Å; L357-V361 PolarHBondContact O-N 3.32Å; E358-V361 PolarHBondContact O-N 3.11Å; E359-V361 VanDerWaalsContact C-N 3.33Å; E359-V361 PolarHBondContact O-N 3.19Å; V361-K363 PolarHBondContact O-N 3.3Å; V361-L364 PolarHBondContact O-N 3.17Å
362	L	83.7	Confident	87.6	Confident	85 Å²	85	42.9 Å²	42.9	45%	0.445	24%	0.242	S	C	.	.	H	α-helix	trans	-67.1	-23.9	179.6	-71.2	173.9	0	0	0	113.6	A332 A335 E358 E359 L360	A332-L362 HydrophobicContact CB-CD1 4.34Å; A332-L362 HydrophobicContact CB-CD2 3.98Å; A335-L362 HydrophobicContact CB-CD2 4.09Å; E358-L362 PolarHBondContact O-N 3.23Å; E359-L362 PolarHBondContact O-N 3.09Å; L360-L362 PolarHBondContact O-N 3.48Å
363	K	87.3	Confident	88	Confident	40 Å²	40	43.9 Å²	43.9	17%	0.174	24%	0.244	C	C	.	.	H	α-helix	trans	-101.4	-3.7	-178	-56.3	-169.5	-172.8	179.5	0	113.3	E359 L360 V361 L445 D449 E452 V453	E359-K363 IonicContact OE1-NZ 3.01Å; L360-K363 PolarHBondContact O-N 3.05Å; V361-K363 PolarHBondContact O-N 3.3Å; K363-L445 HydrophobicContact CB-CD1 3.97Å; K363-D449 HydrophobicContact CB-CB 4.08Å; K363-D449 HydrophobicContact CD-CB 3.6Å; K363-D449 HydrophobicContact CG-CB 4.42Å; K363-E452 IonicContact NZ-OE1 2.75Å; K363-E452 IonicContact NZ-OE2 3.72Å; K363-E452 PolarHBondContact NZ-OE2 2.92Å; K363-V453 HydrophobicContact CD-CG2 4.03Å
364	L	87	Confident	88.3	Confident	14 Å²	14	41.8 Å²	41.8	7%	0.073	23%	0.232	C	C	.	.			trans	-71	132.5	177.8	-70.3	-173.6	0	0	0	112	L343 L360 V361 I387 F443 L445	L343-L364 HydrophobicContact CD1-CD1 3.45Å; L343-L364 VanDerWaalsContact CD1-CD1 3.45Å; L343-L364 HydrophobicContact CD1-CG 4.17Å; L343-L364 HydrophobicContact CG-CD1 4.36Å; L360-L364 WeakPolarHBondContact O-CG 3.32Å; L360-L364 PolarHBondContact O-N 3.44Å; V361-L364 PolarHBondContact O-N 3.17Å; L364-I387 HydrophobicContact CD2-CD1 4.24Å; L364-F443 HydrophobicContact CB-CB 4.32Å; L364-F443 HydrophobicContact CB-CD1 4.05Å; L364-F443 HydrophobicContact CB-CG 4.38Å; L364-F443 HydrophobicContact CD1-CB 4.02Å; L364-F443 HydrophobicContact CD1-CD1 4.19Å; L364-F443 HydrophobicContact CD1-CD2 4.17Å; L364-F443 HydrophobicContact CD1-CG 3.89Å; L364-F443 HydrophobicContact CD2-CB 4.03Å; L364-F443 HydrophobicContact CG-CB 4.35Å; L364-L445 HydrophobicContact CD2-CB 4.1Å; L364-L445 HydrophobicContact CD2-CD1 4.35Å
365	Q	87.2	Confident	88.7	Confident	105 Å²	105	39.6 Å²	39.6	49%	0.491	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.3	174.8	-64.5	-174.7	-1.8	0	0	110.9	C444	Q365-C444 HydrophobicContact CB-CB 4.47Å; Q365-C444 PolarHBondContact N-O 3.35Å; Q365-C444 PolarHBondContact O-N 3.37Å
366	P	87	Confident	89	Confident	31 Å²	31	37 Å²	37	20%	0.201	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	133.6	176.8	28.1	-32.9	0	0	0	111.4	F443	P366-F443 HydrophobicContact CB-CD1 4.3Å; P366-F443 HydrophobicContact CB-CE1 4.15Å
367	Q	88.8	Confident	89.2	Confident	54 Å²	54	43.7 Å²	43.7	25%	0.252	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	135.1	175.3	-63.5	-169.5	15.8	0	0	110.8	Y369 L442 C444	Q367-Y369 HydrophobicContact CB-CE2 4.05Å; Q367-Y369 PolarHBondContact OE1-OH 2.91Å; Q367-Y369 VanDerWaalsContact OE1-OH 3.06Å; Q367-L442 PolarHBondContact N-O 3.48Å; Q367-L442 PolarHBondContact O-N 3.02Å; Q367-C444 HydrophobicContact CG-CB 4.13Å
368	T	90.6	Very high	89.3	Confident	20 Å²	20	47.8 Å²	47.8	12%	0.123	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	127.9	179.8	-61.3	0	0	0	0	111	W306 L310 S440 D441	W306-T368 PolarHBondContact NE1-O 3.22Å; L310-T368 HydrophobicContact CD2-CG2 4.09Å; T368-S440 WeakPolarHBondContact CA-O 3.48Å; T368-D441 WeakPolarHBondContact CG2-OD1 3.43Å; T368-D441 PolarHBondContact OG1-OD1 3.38Å
369	Y	91.6	Very high	89.3	Confident	26 Å²	26	44.9 Å²	44.9	10%	0.102	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	147.3	179.8	-69.7	-91.2	0	0	0	112	Q367 E373 V375 Y439 S440 L442	Q367-Y369 HydrophobicContact CB-CE2 4.05Å; Q367-Y369 PolarHBondContact OE1-OH 2.91Å; Q367-Y369 VanDerWaalsContact OE1-OH 3.06Å; Y369-E373 HydrophobicContact CD1-CG 4.06Å; Y369-V375 HydrophobicContact CD1-CB 4.48Å; Y369-V375 HydrophobicContact CD1-CG2 3.86Å; Y369-V375 HydrophobicContact CD2-CG2 4.07Å; Y369-V375 HydrophobicContact CE1-CB 4.18Å; Y369-V375 HydrophobicContact CE1-CG1 4.04Å; Y369-V375 HydrophobicContact CE1-CG2 4.03Å; Y369-V375 HydrophobicContact CE2-CG1 4.01Å; Y369-V375 HydrophobicContact CE2-CG2 4.24Å; Y369-V375 HydrophobicContact CG-CG2 3.86Å; Y369-Y439 WeakPolarHBondContact O-CA 3.36Å; Y369-S440 PolarHBondContact N-O 3.28Å; Y369-S440 PolarHBondContact O-N 3.42Å; Y369-S440 VanDerWaalsContact O-N 3.12Å; Y369-L442 HydrophobicContact CD2-CD1 3.62Å; Y369-L442 HydrophobicContact CD2-CG 3.98Å; Y369-L442 HydrophobicContact CE2-CB 4.45Å; Y369-L442 HydrophobicContact CE2-CD1 3.57Å; Y369-L442 HydrophobicContact CE2-CG 4.16Å
370	S	91.9	Very high	89.4	Confident	8 Å²	8	46.5 Å²	46.5	6%	0.056	24%	0.24	C	C	.	.			trans	-86.2	158.2	179.7	-52.1	0	0	0	0	112.2	G372 E373 S436 G438	S370-G372 PolarHBondContact O-N 3.37Å; S370-E373 WeakPolarHBondContact CB-OE2 3.49Å; S370-E373 PolarHBondContact N-OE2 2.85Å; S370-E373 WeakPolarHBondContact O-CB 3.32Å; S370-E373 PolarHBondContact O-N 3.05Å; S370-E373 VanDerWaalsContact O-N 3.1Å; S370-E373 PolarHBondContact OG-OE2 2.86Å; S370-S436 WeakPolarHBondContact O-CB 3.45Å; S370-G438 CarbonylContact C-O 3.52Å
371	P	92.9	Very high	89.4	Confident	66 Å²	66	51 Å²	51	43%	0.429	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	130.4	172.9	-22.1	29.5	0	0	0	112.3	E373 G438 Y439	P371-E373 VanDerWaalsContact C-N 3.26Å; P371-E373 PolarHBondContact O-N 3.46Å; P371-G438 WeakPolarHBondContact CA-O 3.46Å; P371-Y439 HydrophobicContact CG-CD2 3.85Å; P371-Y439 HydrophobicContact CG-CE2 3.86Å; P371-Y439 HydrophobicContact CG-CG 4.25Å
372	G	89.9	Confident	89.3	Confident	36 Å²	36	50.8 Å²	50.8	37%	0.371	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	1	179.7	0	0	0	0	0	115.6	S370 K435 S436	S370-G372 PolarHBondContact O-N 3.37Å; G372-K435 VanDerWaalsContact CA-CE 3.44Å; G372-K435 WeakPolarHBondContact O-CE 3.26Å; G372-S436 WeakPolarHBondContact CA-O 3.38Å; G372-S436 PolarHBondContact N-O 3.22Å
373	E	91.4	Very high	89.5	Confident	51 Å²	51	54.4 Å²	54.4	24%	0.238	27%	0.27	C	S	.	.			trans	-76.6	140.3	176.8	-172.9	161.2	-151.5	0	0	111.6	R302 Y369 S370 P371 K435 S436	R302-E373 IonicContact CZ-OE1 3.05Å; R302-E373 IonicContact NH2-OE1 2.68Å; R302-E373 PolarHBondContact NH2-OE1 3.35Å; R302-E373 IonicContact NH2-OE2 2.76Å; Y369-E373 HydrophobicContact CD1-CG 4.06Å; S370-E373 WeakPolarHBondContact CB-OE2 3.49Å; S370-E373 PolarHBondContact N-OE2 2.85Å; S370-E373 WeakPolarHBondContact O-CB 3.32Å; S370-E373 PolarHBondContact O-N 3.05Å; S370-E373 VanDerWaalsContact O-N 3.1Å; S370-E373 PolarHBondContact OG-OE2 2.86Å; P371-E373 VanDerWaalsContact C-N 3.26Å; P371-E373 PolarHBondContact O-N 3.46Å; E373-K435 CarbonylContact O-C 3.52Å; E373-K435 WeakPolarHBondContact O-CA 3.49Å; E373-S436 PolarHBondContact O-N 2.89Å
374	Y	92.6	Very high	89.7	Confident	69 Å²	69	55.2 Å²	55.2	27%	0.271	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	121.9	172.9	-75.7	-91.1	0	0	0	109	R377 V396 G400 N433 I434 K435	Y374-R377 HydrophobicContact CD1-CG 4.31Å; Y374-R377 HydrophobicContact CG-CG 4.36Å; Y374-V396 HydrophobicContact CE1-CG2 3.64Å; Y374-G400 WeakPolarHBondContact OH-CA 3.38Å; Y374-N433 HydrophobicContact CD1-CB 4.31Å; Y374-N433 HydrophobicContact CE1-CB 4.01Å; Y374-I434 CarbonylContact C-O 3.47Å; Y374-I434 WeakPolarHBondContact CA-O 3.19Å; Y374-K435 HydrophobicContact CD1-CB 4.21Å; Y374-K435 HydrophobicContact CE1-CB 4.19Å; Y374-K435 HydrophobicContact CE1-CD 4.44Å; Y374-K435 HydrophobicContact CE2-CD 4.29Å
375	V	93.3	Very high	89.8	Confident	15 Å²	15	54.6 Å²	54.6	9%	0.091	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	-43.6	172.6	-178.4	0	0	0	0	109.8	Y369 Y386 L393 F413 I434 L442	Y369-V375 HydrophobicContact CD1-CB 4.48Å; Y369-V375 HydrophobicContact CD1-CG2 3.86Å; Y369-V375 HydrophobicContact CD2-CG2 4.07Å; Y369-V375 HydrophobicContact CE1-CB 4.18Å; Y369-V375 HydrophobicContact CE1-CG1 4.04Å; Y369-V375 HydrophobicContact CE1-CG2 4.03Å; Y369-V375 HydrophobicContact CE2-CG1 4.01Å; Y369-V375 HydrophobicContact CE2-CG2 4.24Å; Y369-V375 HydrophobicContact CG-CG2 3.86Å; V375-Y386 HydrophobicContact CG1-CD1 4.49Å; V375-Y386 HydrophobicContact CG1-CD2 4.04Å; V375-Y386 HydrophobicContact CG1-CE1 4.41Å; V375-Y386 HydrophobicContact CG1-CE2 3.89Å; V375-Y386 HydrophobicContact CG1-CG 4.32Å; V375-L393 HydrophobicContact CG2-CD2 4Å; V375-F413 HydrophobicContact CB-CE2 4.45Å; V375-F413 HydrophobicContact CB-CZ 4.21Å; V375-F413 HydrophobicContact CG1-CE2 3.91Å; V375-F413 HydrophobicContact CG1-CZ 3.68Å; V375-I434 HydrophobicContact CB-CG2 4.43Å; V375-I434 PolarHBondContact N-O 3.47Å; V375-L442 HydrophobicContact CG1-CD1 3.92Å; V375-L442 HydrophobicContact CG2-CD1 3.97Å
376	C	91.7	Very high	90.1	Very high	8 Å²	8	50.2 Å²	50.2	5%	0.054	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	151.2	171.1	65.4	0	0	0	0	110.9	R430 I434	C376-R430 HydrophobicContact CB-CG 4.05Å; C376-I434 PolarHBondContact O-N 3.27Å
377	R	91.7	Very high	90.3	Very high	142 Å²	142	48.8 Å²	48.8	54%	0.536	24%	0.241	S	C	.	.			trans	-108.9	149.8	173	-55.6	-179.2	176.4	-154.6	-0.7	110.5	Y374 G379 D380 R430 N433	Y374-R377 HydrophobicContact CD1-CG 4.31Å; Y374-R377 HydrophobicContact CG-CG 4.36Å; R377-G379 PolarHBondContact O-N 2.94Å; R377-D380 VanDerWaalsContact CB-OD2 3.29Å; R377-D380 WeakPolarHBondContact CB-OD2 3.29Å; R377-D380 PolarHBondContact N-OD2 2.79Å; R377-D380 WeakPolarHBondContact O-CB 3.32Å; R377-D380 PolarHBondContact O-N 2.94Å; R377-D380 VanDerWaalsContact O-N 3.12Å; R377-R430 VanDerWaalsContact O-CB 3.22Å; R377-R430 WeakPolarHBondContact O-CB 3.3Å; R377-N433 WeakPolarHBondContact CA-OD1 3.47Å
378	K	89.1	Confident	90.5	Very high	99 Å²	99	46.2 Å²	46.2	43%	0.43	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	128.3	173.8	-179.9	-176.7	174.5	-175.5	0	109.1	D398 A432 N433	K378-D398 VanDerWaalsContact CD-OD1 3.23Å; K378-D398 WeakPolarHBondContact CD-OD1 3.37Å; K378-D398 IonicContact NZ-OD1 2.77Å; K378-D398 IonicContact NZ-OD2 4Å; K378-D398 PolarHBondContact NZ-OD2 3.26Å; K378-A432 PolarHBondContact N-O 3.33Å; K378-N433 WeakPolarHBondContact CB-OD1 3.28Å; K378-N433 PolarHBondContact N-OD1 2.97Å
379	G	86.4	Confident	90.4	Very high	27 Å²	27	50.1 Å²	50.1	28%	0.278	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	93	-14.7	-178.6	0	0	0	0	0	115.2	R377 R429 R430	R377-G379 PolarHBondContact O-N 2.94Å; G379-R429 WeakPolarHBondContact O-CD 3.47Å; G379-R429 PolarHBondContact O-NH1 3.06Å; G379-R430 PolarHBondContact N-O 3.42Å
380	D	88.8	Confident	90.3	Very high	76 Å²	76	54 Å²	54	41%	0.406	26%	0.26	S	S	.	.	S	Bend	trans	-63.2	155.9	173.7	-68.9	-17.3	0	0	0	110.9	R377 G382 R429 R430	R377-D380 VanDerWaalsContact CB-OD2 3.29Å; R377-D380 WeakPolarHBondContact CB-OD2 3.29Å; R377-D380 PolarHBondContact N-OD2 2.79Å; R377-D380 WeakPolarHBondContact O-CB 3.32Å; R377-D380 PolarHBondContact O-N 2.94Å; R377-D380 VanDerWaalsContact O-N 3.12Å; D380-G382 PolarHBondContact O-N 3.44Å; D380-R429 CarbonylContact O-C 3.59Å; D380-R429 VanDerWaalsContact O-CA 3.22Å; D380-R429 WeakPolarHBondContact O-CA 3.39Å; D380-R430 HydrophobicContact CB-CG 4.11Å; D380-R430 WeakPolarHBondContact O-CG 3.23Å; D380-R430 PolarHBondContact O-N 3.45Å
381	I	87.6	Confident	90.4	Very high	95 Å²	95	54.8 Å²	54.8	49%	0.487	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-76	122.1	176.5	-58.7	171.9	0	0	0	108.8	R383 N428	I381-R383 HydrophobicContact CG2-CG 4.15Å; I381-R383 PolarHBondContact O-N 3.01Å; I381-N428 WeakPolarHBondContact CA-O 3.47Å
382	G	85.3	Confident	90.4	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.275	C	S	.	.			trans	-90.9	91.4	-176.5	0	0	0	0	0	113.1	D380 N428 R430	D380-G382 PolarHBondContact O-N 3.44Å; G382-N428 PolarHBondContact N-O 3.39Å; G382-N428 PolarHBondContact O-OD1 3.3Å; G382-R430 VanDerWaalsContact CA-CZ 3.42Å
383	R	88	Confident	90.7	Very high	160 Å²	160	55.3 Å²	55.3	60%	0.604	26%	0.257	S	S	*	.			trans	-87.8	-10.7	-180	-61.3	-175.7	179.8	-176.3	-2.2	114.6	I381 K447	I381-R383 HydrophobicContact CG2-CG 4.15Å; I381-R383 PolarHBondContact O-N 3.01Å; R383-K447 VanDerWaalsContact O-CB 3.26Å; R383-K447 WeakPolarHBondContact O-CB 3.47Å; R383-K447 PolarHBondContact O-N 3.12Å
384	E	90.4	Very high	90.9	Very high	58 Å²	58	52.9 Å²	52.9	27%	0.271	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	153.4	-165.1	-66.5	164.9	-172.2	0	0	109.9	Y386 R430 C444 L445	E384-Y386 HydrophobicContact CB-CE2 4.44Å; E384-Y386 PolarHBondContact OE2-OH 3.3Å; E384-R430 PolarHBondContact O-NH1 3.39Å; E384-R430 PolarHBondContact O-NH2 2.9Å; E384-C444 VanDerWaalsContact CB-SG 3.55Å; E384-C444 WeakPolarHBondContact CG-SG 3Å; E384-C444 PolarHBondContact OE2-SG 3.34Å; E384-L445 CarbonylContact C-O 3.59Å; E384-L445 VanDerWaalsContact CA-O 3.28Å; E384-L445 WeakPolarHBondContact CA-O 3.39Å
385	M	90.4	Very high	90.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	157.8	158.6	57.1	179.3	-61.7	0	0	110.4	F349 I387 Y412 I418 C444 L445 L450 M464	F349-M385 HydrophobicContact CE2-CE 4.35Å; F349-M385 HydrophobicContact CZ-CE 4.36Å; M385-I387 HydrophobicContact CE-CG1 4.23Å; M385-Y412 HydrophobicContact CE-CD2 4.22Å; M385-I418 HydrophobicContact CB-CD1 3.5Å; M385-I418 HydrophobicContact CG-CD1 3.47Å; M385-I418 VanDerWaalsContact CG-CD1 3.47Å; M385-I418 HydrophobicContact SD-CD1 3.56Å; M385-I418 VanDerWaalsContact SD-CD1 3.56Å; M385-C444 WeakPolarHBondContact O-CA 3.45Å; M385-L445 HydrophobicContact CG-CB 3.83Å; M385-L445 HydrophobicContact CG-CD2 4.29Å; M385-L445 HydrophobicContact CG-CG 4.48Å; M385-L445 PolarHBondContact N-O 2.8Å; M385-L445 PolarHBondContact O-N 3.04Å; M385-L445 HydrophobicContact SD-CD2 3.98Å; M385-L450 HydrophobicContact SD-CD2 3.86Å; M385-M464 HydrophobicContact CE-CE 4.22Å; M385-M464 HydrophobicContact SD-CE 3.98Å
386	Y	92.3	Very high	90.9	Very high	13 Å²	13	50.4 Å²	50.4	5%	0.051	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	135.7	178.8	-57.3	-81.4	0	0	0	110.9	V375 E384 Y412 F413 L442 F443 C444	V375-Y386 HydrophobicContact CG1-CD1 4.49Å; V375-Y386 HydrophobicContact CG1-CD2 4.04Å; V375-Y386 HydrophobicContact CG1-CE1 4.41Å; V375-Y386 HydrophobicContact CG1-CE2 3.89Å; V375-Y386 HydrophobicContact CG1-CG 4.32Å; E384-Y386 HydrophobicContact CB-CE2 4.44Å; E384-Y386 PolarHBondContact OE2-OH 3.3Å; Y386-Y412 CarbonylContact O-C 3.53Å; Y386-Y412 VanDerWaalsContact O-CA 3.23Å; Y386-Y412 WeakPolarHBondContact O-CA 2.93Å; Y386-Y412 WeakPolarHBondContact O-CB 3.24Å; Y386-F413 VanDerWaalsContact CB-CZ 3.42Å; Y386-F413 HydrophobicContact CD2-CD2 4Å; Y386-F413 AromaticContact CD2-CE2 3.29Å; Y386-F413 HydrophobicContact CD2-CE2 3.29Å; Y386-F413 AromaticContact CD2-CZ 3.61Å; Y386-F413 HydrophobicContact CD2-CZ 3.61Å; Y386-F413 HydrophobicContact CE2-CE2 4.13Å; Y386-F413 HydrophobicContact CG-CE1 4.36Å; Y386-F413 AromaticContact CG-CE2 3.92Å; Y386-F413 HydrophobicContact CG-CE2 3.92Å; Y386-F413 AromaticContact CG-CZ 3.73Å; Y386-F413 HydrophobicContact CG-CZ 3.73Å; Y386-F413 PolarHBondContact N-O 3.06Å; Y386-F413 PolarHBondContact O-N 3.45Å; Y386-L442 HydrophobicContact CD1-CB 4.31Å; Y386-L442 HydrophobicContact CD1-CD1 4.25Å; Y386-L442 HydrophobicContact CG-CD1 4.3Å; Y386-F443 CarbonylContact C-O 3.55Å; Y386-F443 VanDerWaalsContact CA-O 3.26Å; Y386-F443 WeakPolarHBondContact CA-O 3.35Å; Y386-C444 HydrophobicContact CD1-CB 3.99Å; Y386-C444 HydrophobicContact CE1-CB 3.87Å
387	I	92.1	Very high	90.7	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.9	173.4	-58.7	169.1	0	0	0	107.6	V346 F349 L364 M385 R389 L442 F443	V346-I387 HydrophobicContact CG2-CG2 3.47Å; V346-I387 VanDerWaalsContact CG2-CG2 3.47Å; F349-I387 HydrophobicContact CE2-CD1 3.95Å; L364-I387 HydrophobicContact CD2-CD1 4.24Å; M385-I387 HydrophobicContact CE-CG1 4.23Å; I387-R389 PolarHBondContact O-N 3.03Å; I387-L442 CarbonylContact O-C 3.32Å; I387-L442 VanDerWaalsContact O-CA 3.26Å; I387-L442 WeakPolarHBondContact O-CA 3.2Å; I387-F443 HydrophobicContact CB-CB 4.29Å; I387-F443 PolarHBondContact N-O 2.93Å; I387-F443 PolarHBondContact O-N 2.96Å
388	I	92.5	Very high	90.4	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	109.7	-177.1	-52.3	171.4	0	0	0	109	L393 L407 A409 G410 L411 F413 L442	I388-L393 HydrophobicContact CD1-CD1 3.72Å; I388-L393 HydrophobicContact CD1-CG 4.21Å; I388-L393 HydrophobicContact CG1-CD1 3.87Å; I388-L407 HydrophobicContact CD1-CB 3.39Å; I388-A409 WeakPolarHBondContact O-CA 3.38Å; I388-G410 PolarHBondContact O-N 2.73Å; I388-L411 WeakPolarHBondContact CB-O 3.2Å; I388-L411 HydrophobicContact CD1-CB 4.32Å; I388-L411 WeakPolarHBondContact CG1-O 3.11Å; I388-L411 PolarHBondContact N-O 2.81Å; I388-F413 HydrophobicContact CD1-CD1 4.42Å; I388-F413 HydrophobicContact CD1-CE1 4.48Å; I388-F413 HydrophobicContact CG1-CD1 4.39Å; I388-F413 HydrophobicContact CG1-CE1 4.2Å; I388-L442 HydrophobicContact CB-CD2 4.09Å; I388-L442 HydrophobicContact CG1-CD2 3.81Å; I388-L442 HydrophobicContact CG2-CD2 4.06Å
389	R	88.6	Confident	90.1	Very high	101 Å²	101	48.8 Å²	48.8	38%	0.381	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-50	174.2	-178.7	-172.5	-176.6	169.3	0.2	110.8	T342 I387 A409 D441 F443	T342-R389 HydrophobicContact CG2-CB 4.28Å; T342-R389 HydrophobicContact CG2-CG 4.16Å; I387-R389 PolarHBondContact O-N 3.03Å; R389-A409 WeakPolarHBondContact O-CB 3.2Å; R389-D441 HydrophobicContact CB-CB 4.38Å; R389-D441 WeakPolarHBondContact CB-O 3.48Å; R389-D441 PolarHBondContact N-O 3.4Å; R389-F443 HydrophobicContact CB-CD2 4.12Å; R389-F443 HydrophobicContact CB-CE2 3.86Å; R389-F443 HydrophobicContact CG-CE2 3.91Å; R389-F443 HydrophobicContact CG-CZ 4.45Å
390	E	90.5	Very high	89.8	Confident	108 Å²	108	48.2 Å²	48.2	51%	0.505	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	147.3	-177.3	-168.1	-176.7	-161.8	0	0	109.9	K315 S440 D441	K315-E390 IonicContact NZ-OE2 2.93Å; K315-E390 PolarHBondContact NZ-OE2 3.43Å; E390-S440 CarbonylContact O-C 3.52Å; E390-S440 WeakPolarHBondContact O-CA 3.39Å; E390-D441 HydrophobicContact CB-CB 4.23Å; E390-D441 PolarHBondContact N-O 2.81Å; E390-D441 PolarHBondContact O-N 2.96Å
391	G	92.2	Very high	89.4	Confident	25 Å²	25	50 Å²	50	26%	0.258	25%	0.252	S	S	.	.	S	Bend	trans	101.3	-172.9	178	0	0	0	0	0	113.8
392	Q	94.8	Very high	89.4	Confident	113 Å²	113	48.6 Å²	48.6	53%	0.528	25%	0.248	S	C	.	.			trans	-137.4	130.9	-177.4	-68.3	-176.3	-10.2	0	0	110.1	V406 L407 L437 S440	Q392-V406 HydrophobicContact CB-CG1 4.17Å; Q392-V406 HydrophobicContact CG-CG1 4.49Å; Q392-L407 WeakPolarHBondContact CA-O 3.38Å; Q392-L437 HydrophobicContact CB-CD1 4.19Å; Q392-L437 WeakPolarHBondContact O-CB 3.4Å; Q392-L437 PolarHBondContact O-N 2.92Å; Q392-S440 PolarHBondContact N-OG 3Å; Q392-S440 PolarHBondContact O-OG 3.18Å
393	L	95.7	Very high	89.6	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139.5	177	-55.9	175.1	0	0	0	109.3	V375 I388 V406 L407 F413 I434 K435 L442	V375-L393 HydrophobicContact CG2-CD2 4Å; I388-L393 HydrophobicContact CD1-CD1 3.72Å; I388-L393 HydrophobicContact CD1-CG 4.21Å; I388-L393 HydrophobicContact CG1-CD1 3.87Å; L393-V406 CarbonylContact O-C 3.56Å; L393-V406 WeakPolarHBondContact O-CA 3.36Å; L393-L407 HydrophobicContact CB-CB 4.4Å; L393-L407 PolarHBondContact N-O 3.15Å; L393-L407 PolarHBondContact O-N 3.17Å; L393-F413 HydrophobicContact CD1-CD1 4.04Å; L393-F413 HydrophobicContact CD1-CE1 3.16Å; L393-F413 HydrophobicContact CD1-CZ 3.66Å; L393-I434 HydrophobicContact CB-CG2 3.93Å; L393-I434 HydrophobicContact CD1-CG2 3.99Å; L393-I434 HydrophobicContact CG-CG2 4.45Å; L393-K435 CarbonylContact C-O 3.56Å; L393-K435 WeakPolarHBondContact CA-O 3.35Å; L393-L442 HydrophobicContact CD1-CD1 4.09Å; L393-L442 HydrophobicContact CD1-CD2 3.89Å
394	A	94.3	Very high	89.5	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.9	172.2	0	0	0	0	0	110.4	V396 Q403 A405 K435 L437	A394-V396 HydrophobicContact CB-CG1 4.09Å; A394-V396 PolarHBondContact O-N 3.23Å; A394-Q403 HydrophobicContact CB-CG 4.25Å; A394-A405 WeakPolarHBondContact CA-O 3.31Å; A394-K435 PolarHBondContact N-O 3.33Å; A394-K435 PolarHBondContact O-N 3.17Å; A394-L437 HydrophobicContact CB-CD1 4.24Å; A394-L437 HydrophobicContact CB-CD2 3.78Å; A394-L437 HydrophobicContact CB-CG 3.97Å
395	V	93.2	Very high	89.4	Confident	25 Å²	25	53.5 Å²	53.5	15%	0.152	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	112.2	165.9	-174.4	0	0	0	0	107.1	Y404 A405 L407 A432 N433 I434	V395-Y404 HydrophobicContact CG1-CD2 4.46Å; V395-Y404 PolarHBondContact O-N 3.28Å; V395-A405 HydrophobicContact CB-CB 4.38Å; V395-A405 HydrophobicContact CG2-CB 4.24Å; V395-A405 PolarHBondContact N-O 2.81Å; V395-L407 HydrophobicContact CG2-CD1 4.07Å; V395-L407 HydrophobicContact CG2-CG 4.24Å; V395-A432 HydrophobicContact CG1-CB 3.86Å; V395-N433 WeakPolarHBondContact CA-O 3.49Å; V395-I434 HydrophobicContact CG2-CG1 4.5Å
396	V	92.7	Very high	89.5	Confident	6 Å²	6	56.9 Å²	56.9	4%	0.036	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	147.7	-173.6	-60.6	0	0	0	0	111.9	Y374 A394 T402 Q403 N433 K435	Y374-V396 HydrophobicContact CE1-CG2 3.64Å; A394-V396 HydrophobicContact CB-CG1 4.09Å; A394-V396 PolarHBondContact O-N 3.23Å; V396-T402 CarbonylContact C-O 3.58Å; V396-T402 VanDerWaalsContact CA-O 3.31Å; V396-T402 WeakPolarHBondContact CA-O 3.48Å; V396-Q403 HydrophobicContact CG1-CG 4.4Å; V396-N433 HydrophobicContact CG2-CB 3.58Å; V396-N433 PolarHBondContact N-O 2.96Å; V396-N433 WeakPolarHBondContact O-CB 3.44Å; V396-N433 PolarHBondContact O-ND2 2.85Å; V396-K435 HydrophobicContact CG1-CB 4.27Å; V396-K435 HydrophobicContact CG2-CB 4.3Å
397	A	88.6	Confident	89.6	Confident	9 Å²	9	57.7 Å²	57.7	7%	0.074	31%	0.306	C	S	.	.			trans	-68.6	174.6	171.6	0	0	0	0	0	111.7	D399 G400 T402 Y404 N433	A397-D399 PolarHBondContact O-N 3.08Å; A397-D399 VanDerWaalsContact O-N 3.14Å; A397-G400 PolarHBondContact O-N 2.95Å; A397-T402 HydrophobicContact CB-CG2 4.45Å; A397-T402 PolarHBondContact N-O 3.24Å; A397-Y404 VanDerWaalsContact CA-CE2 3.49Å; A397-Y404 HydrophobicContact CB-CD2 4.36Å; A397-Y404 HydrophobicContact CB-CE2 3.45Å; A397-Y404 VanDerWaalsContact CB-CE2 3.45Å; A397-Y404 WeakPolarHBondContact CB-OH 3.42Å; A397-N433 PolarHBondContact O-ND2 3.43Å
398	D	85.3	Confident	89.5	Confident	113 Å²	113	58.7 Å²	58.7	60%	0.604	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.1	-178.7	-64.5	-23.6	0	0	0	112.3	K378 G400 N433	K378-D398 VanDerWaalsContact CD-OD1 3.23Å; K378-D398 WeakPolarHBondContact CD-OD1 3.37Å; K378-D398 IonicContact NZ-OD1 2.77Å; K378-D398 IonicContact NZ-OD2 4Å; K378-D398 PolarHBondContact NZ-OD2 3.26Å; D398-G400 VanDerWaalsContact C-N 3.32Å; D398-N433 PolarHBondContact OD1-ND2 3.03Å
399	D	83.8	Confident	89.4	Confident	93 Å²	93	61.9 Å²	61.9	50%	0.497	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-13.8	172.6	68.3	5.1	0	0	0	113.9	A397 V401 T402	A397-D399 PolarHBondContact O-N 3.08Å; A397-D399 VanDerWaalsContact O-N 3.14Å; D399-V401 PolarHBondContact O-N 3.26Å; D399-V401 PolarHBondContact OD1-N 2.69Å; D399-T402 PolarHBondContact OD1-N 3.12Å; D399-T402 WeakPolarHBondContact OD2-CB 3.38Å; D399-T402 PolarHBondContact OD2-OG1 2.76Å
400	G	78.2	Confident	89.2	Confident	15 Å²	15	57.7 Å²	57.7	16%	0.155	33%	0.331	C	S	.	.	S	Bend	trans	69.3	6.2	-177.2	0	0	0	0	0	115.8	Y374 A397 D398	Y374-G400 WeakPolarHBondContact OH-CA 3.38Å; A397-G400 PolarHBondContact O-N 2.95Å; D398-G400 VanDerWaalsContact C-N 3.32Å
401	V	82.1	Confident	89.1	Confident	113 Å²	113	55.1 Å²	55.1	69%	0.685	32%	0.32	S	S	*	.	S	Bend	trans	-117.5	-44.9	-176.2	-179.1	0	0	0	0	111.1	D399 Q403	D399-V401 PolarHBondContact O-N 3.26Å; D399-V401 PolarHBondContact OD1-N 2.69Å; V401-Q403 PolarHBondContact O-N 3.12Å
402	T	86.4	Confident	89.1	Confident	66 Å²	66	55.3 Å²	55.3	41%	0.405	31%	0.314	S	S	.	.			trans	-72.7	123	-178.5	-58.1	0	0	0	0	109.8	V396 A397 D399	V396-T402 CarbonylContact C-O 3.58Å; V396-T402 VanDerWaalsContact CA-O 3.31Å; V396-T402 WeakPolarHBondContact CA-O 3.48Å; A397-T402 HydrophobicContact CB-CG2 4.45Å; A397-T402 PolarHBondContact N-O 3.24Å; D399-T402 PolarHBondContact OD1-N 3.12Å; D399-T402 WeakPolarHBondContact OD2-CB 3.38Å; D399-T402 PolarHBondContact OD2-OG1 2.76Å
403	Q	88.9	Confident	88.8	Confident	109 Å²	109	50.4 Å²	50.4	51%	0.509	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.6	-179.8	-60.1	179.6	12.1	0	0	109.9	A394 V396 V401	A394-Q403 HydrophobicContact CB-CG 4.25Å; V396-Q403 HydrophobicContact CG1-CG 4.4Å; V401-Q403 PolarHBondContact O-N 3.12Å
404	Y	86.2	Confident	88.4	Confident	166 Å²	166	50.9 Å²	50.9	65%	0.651	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	-38.5	177.1	-67.5	-60.4	0	0	0	112.6	V395 A397	V395-Y404 HydrophobicContact CG1-CD2 4.46Å; V395-Y404 PolarHBondContact O-N 3.28Å; A397-Y404 VanDerWaalsContact CA-CE2 3.49Å; A397-Y404 HydrophobicContact CB-CD2 4.36Å; A397-Y404 HydrophobicContact CB-CE2 3.45Å; A397-Y404 VanDerWaalsContact CB-CE2 3.45Å; A397-Y404 WeakPolarHBondContact CB-OH 3.42Å
405	A	89.2	Confident	87.8	Confident	46 Å²	46	51.6 Å²	51.6	38%	0.38	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	155.8	-178.4	0	0	0	0	0	110.9	A394 V395	A394-A405 WeakPolarHBondContact CA-O 3.31Å; V395-A405 HydrophobicContact CB-CB 4.38Å; V395-A405 HydrophobicContact CG2-CB 4.24Å; V395-A405 PolarHBondContact N-O 2.81Å
406	V	92.9	Very high	87.1	Confident	72 Å²	72	50.8 Å²	50.8	44%	0.436	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.2	171.4	-178.7	0	0	0	0	108.7	Q392 L393 L437	Q392-V406 HydrophobicContact CB-CG1 4.17Å; Q392-V406 HydrophobicContact CG-CG1 4.49Å; L393-V406 CarbonylContact O-C 3.56Å; L393-V406 WeakPolarHBondContact O-CA 3.36Å; V406-L437 HydrophobicContact CG1-CD1 4.14Å; V406-L437 HydrophobicContact CG2-CD1 4.42Å
407	L	92.7	Very high	86.1	Confident	30 Å²	30	50.7 Å²	50.7	16%	0.157	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	121.8	177.1	-53.3	173.6	0	0	0	108.8	I388 Q392 L393 V395 L411 F413	I388-L407 HydrophobicContact CD1-CB 3.39Å; Q392-L407 WeakPolarHBondContact CA-O 3.38Å; L393-L407 HydrophobicContact CB-CB 4.4Å; L393-L407 PolarHBondContact N-O 3.15Å; L393-L407 PolarHBondContact O-N 3.17Å; V395-L407 HydrophobicContact CG2-CD1 4.07Å; V395-L407 HydrophobicContact CG2-CG 4.24Å; L407-L411 HydrophobicContact CB-CD1 4.32Å; L407-L411 HydrophobicContact CD2-CD1 4Å; L407-F413 HydrophobicContact CD1-CB 4.21Å; L407-F413 HydrophobicContact CD1-CD1 4.15Å; L407-F413 HydrophobicContact CD1-CG 4.41Å
408	G	91.1	Very high	85.4	Confident	22 Å²	22	50.8 Å²	50.8	23%	0.227	29%	0.293	C	S	.	.			trans	-107.1	-175.7	176.3	0	0	0	0	0	113.1	L411	G408-L411 WeakPolarHBondContact O-CB 3.16Å; G408-L411 PolarHBondContact O-N 3.17Å
409	A	89.3	Confident	84.9	Confident	67 Å²	67	46 Å²	46	55%	0.554	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	138.2	179.1	0	0	0	0	0	113	I388 R389 L411	I388-A409 WeakPolarHBondContact O-CA 3.38Å; R389-A409 WeakPolarHBondContact O-CB 3.2Å; A409-L411 VanDerWaalsContact C-N 3.3Å
410	G	84.9	Confident	84.2	Confident	14 Å²	14	48.2 Å²	48.2	14%	0.144	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	-7.5	-177.2	0	0	0	0	0	114.7	V346 I388	V346-G410 WeakPolarHBondContact CA-O 3.19Å; I388-G410 PolarHBondContact O-N 2.73Å
411	L	89.8	Confident	84	Confident	53 Å²	53	48.2 Å²	48.2	28%	0.277	28%	0.275	S	S	.	.			trans	-90.3	163.4	167.9	-59.9	177.8	0	0	0	110.8	I388 L407 G408 A409	I388-L411 WeakPolarHBondContact CB-O 3.2Å; I388-L411 HydrophobicContact CD1-CB 4.32Å; I388-L411 WeakPolarHBondContact CG1-O 3.11Å; I388-L411 PolarHBondContact N-O 2.81Å; L407-L411 HydrophobicContact CB-CD1 4.32Å; L407-L411 HydrophobicContact CD2-CD1 4Å; G408-L411 WeakPolarHBondContact O-CB 3.16Å; G408-L411 PolarHBondContact O-N 3.17Å; A409-L411 VanDerWaalsContact C-N 3.3Å
412	Y	90.4	Very high	83.4	Confident	29 Å²	29	46.5 Å²	46.5	11%	0.114	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	164.7	-179.4	64.8	-82.5	0	0	0	109.7	V346 I348 M385 Y386 E415	V346-Y412 HydrophobicContact CG1-CD1 3.42Å; V346-Y412 VanDerWaalsContact CG1-CD1 3.42Å; V346-Y412 HydrophobicContact CG1-CE1 4.17Å; V346-Y412 HydrophobicContact CG1-CG 4.08Å; I348-Y412 HydrophobicContact CB-CD1 4.46Å; I348-Y412 HydrophobicContact CB-CE1 3.73Å; I348-Y412 HydrophobicContact CB-CE2 4.42Å; I348-Y412 HydrophobicContact CD1-CE2 3.83Å; I348-Y412 WeakPolarHBondContact CD1-OH 3.4Å; I348-Y412 HydrophobicContact CG2-CD1 4.24Å; I348-Y412 HydrophobicContact CG2-CE1 3.99Å; I348-Y412 HydrophobicContact CG2-CE2 4.48Å; M385-Y412 HydrophobicContact CE-CD2 4.22Å; Y386-Y412 CarbonylContact O-C 3.53Å; Y386-Y412 VanDerWaalsContact O-CA 3.23Å; Y386-Y412 WeakPolarHBondContact O-CA 2.93Å; Y386-Y412 WeakPolarHBondContact O-CB 3.24Å; Y412-E415 HydrophobicContact CD2-CB 4.33Å; Y412-E415 HydrophobicContact CD2-CG 4.49Å; Y412-E415 HydrophobicContact CE2-CB 4.03Å; Y412-E415 HydrophobicContact CE2-CG 3.86Å
413	F	90.1	Very high	82.3	Confident	10 Å²	10	43.7 Å²	43.7	4%	0.044	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	163.1	173.6	63.6	-85.2	0	0	0	111.6	V375 Y386 I388 L393 L407 E415 I434 L442	V375-F413 HydrophobicContact CB-CE2 4.45Å; V375-F413 HydrophobicContact CB-CZ 4.21Å; V375-F413 HydrophobicContact CG1-CE2 3.91Å; V375-F413 HydrophobicContact CG1-CZ 3.68Å; Y386-F413 VanDerWaalsContact CB-CZ 3.42Å; Y386-F413 HydrophobicContact CD2-CD2 4Å; Y386-F413 AromaticContact CD2-CE2 3.29Å; Y386-F413 HydrophobicContact CD2-CE2 3.29Å; Y386-F413 AromaticContact CD2-CZ 3.61Å; Y386-F413 HydrophobicContact CD2-CZ 3.61Å; Y386-F413 HydrophobicContact CE2-CE2 4.13Å; Y386-F413 HydrophobicContact CG-CE1 4.36Å; Y386-F413 AromaticContact CG-CE2 3.92Å; Y386-F413 HydrophobicContact CG-CE2 3.92Å; Y386-F413 AromaticContact CG-CZ 3.73Å; Y386-F413 HydrophobicContact CG-CZ 3.73Å; Y386-F413 PolarHBondContact N-O 3.06Å; Y386-F413 PolarHBondContact O-N 3.45Å; I388-F413 HydrophobicContact CD1-CD1 4.42Å; I388-F413 HydrophobicContact CD1-CE1 4.48Å; I388-F413 HydrophobicContact CG1-CD1 4.39Å; I388-F413 HydrophobicContact CG1-CE1 4.2Å; L393-F413 HydrophobicContact CD1-CD1 4.04Å; L393-F413 HydrophobicContact CD1-CE1 3.16Å; L393-F413 HydrophobicContact CD1-CZ 3.66Å; L407-F413 HydrophobicContact CD1-CB 4.21Å; L407-F413 HydrophobicContact CD1-CD1 4.15Å; L407-F413 HydrophobicContact CD1-CG 4.41Å; F413-E415 VanDerWaalsContact C-OE2 3.25Å; F413-E415 VanDerWaalsContact CA-OE2 3.25Å; F413-E415 WeakPolarHBondContact CA-OE2 3.31Å; F413-I434 HydrophobicContact CB-CD1 3.95Å; F413-I434 HydrophobicContact CD1-CD1 4.39Å; F413-I434 HydrophobicContact CD2-CD1 3.15Å; F413-I434 HydrophobicContact CD2-CG1 4.49Å; F413-I434 HydrophobicContact CE2-CB 4.44Å; F413-I434 HydrophobicContact CE2-CD1 3.6Å; F413-I434 HydrophobicContact CE2-CG2 4.17Å; F413-I434 HydrophobicContact CG-CD1 3.57Å; F413-I434 HydrophobicContact CZ-CD1 4.4Å; F413-I434 HydrophobicContact CZ-CG2 4.1Å; F413-L442 HydrophobicContact CE1-CD1 4.18Å; F413-L442 HydrophobicContact CZ-CD1 3.93Å
414	G	87.3	Confident	81.7	Confident	11 Å²	11	39.6 Å²	39.6	11%	0.113	22%	0.224	C	C	.	.			trans	93	3.4	178	0	0	0	0	0	114.1	I416 S417 R430	G414-I416 VanDerWaalsContact C-N 3.26Å; G414-I416 PolarHBondContact O-N 3Å; G414-S417 PolarHBondContact O-N 2.87Å; G414-R430 VanDerWaalsContact CA-NH1 3.28Å; G414-R430 PolarHBondContact O-NH1 3.42Å
415	E	81.1	Confident	80.6	Confident	15 Å²	15	37.7 Å²	37.7	7%	0.07	22%	0.223	C	C	.	.	H	α-helix	trans	-57.4	-35.6	176.3	71.8	-71.4	172.3	0	0	112.7	Y412 F413 S417 I418 I419 I471	Y412-E415 HydrophobicContact CD2-CB 4.33Å; Y412-E415 HydrophobicContact CD2-CG 4.49Å; Y412-E415 HydrophobicContact CE2-CB 4.03Å; Y412-E415 HydrophobicContact CE2-CG 3.86Å; F413-E415 VanDerWaalsContact C-OE2 3.25Å; F413-E415 VanDerWaalsContact CA-OE2 3.25Å; F413-E415 WeakPolarHBondContact CA-OE2 3.31Å; E415-S417 VanDerWaalsContact C-N 3.34Å; E415-S417 PolarHBondContact O-N 2.87Å; E415-I418 VanDerWaalsContact O-CG1 3.27Å; E415-I418 WeakPolarHBondContact O-CG1 3.34Å; E415-I418 PolarHBondContact O-N 3.15Å; E415-I419 HydrophobicContact CB-CD1 4.25Å; E415-I419 WeakPolarHBondContact O-CD1 3.22Å; E415-I419 VanDerWaalsContact O-CG1 3.28Å; E415-I419 WeakPolarHBondContact O-CG1 3.36Å; E415-I419 PolarHBondContact O-N 2.88Å; E415-I419 VanDerWaalsContact O-N 3.13Å; E415-I471 WeakPolarHBondContact OE1-CD1 3.37Å
416	I	78.1	Confident	79.4	Confident	7 Å²	7	36.6 Å²	36.6	4%	0.036	21%	0.212	C	C	.	.	H	α-helix	trans	-67.4	-34.2	-175.2	-54.9	172.9	0	0	0	112.2	G414 T431 I471 L472	G414-I416 VanDerWaalsContact C-N 3.26Å; G414-I416 PolarHBondContact O-N 3Å; I416-T431 HydrophobicContact CG2-CG2 4.48Å; I416-I471 HydrophobicContact CD1-CB 4.21Å; I416-I471 HydrophobicContact CD1-CG2 3.57Å; I416-L472 HydrophobicContact CG2-CD1 4.07Å; I416-L472 HydrophobicContact CG2-CD2 3.58Å; I416-L472 HydrophobicContact CG2-CG 3.82Å
417	S	72	Confident	78.5	Confident	5 Å²	5	34.7 Å²	34.7	4%	0.035	21%	0.208	C	C	.	.	H	α-helix	trans	-79.5	-27.4	-176.9	-54	0	0	0	0	112.2	G414 E415 N428 R429	G414-S417 PolarHBondContact O-N 2.87Å; E415-S417 VanDerWaalsContact C-N 3.34Å; E415-S417 PolarHBondContact O-N 2.87Å; S417-N428 PolarHBondContact O-OD1 3.19Å; S417-R429 PolarHBondContact OG-O 2.62Å
418	I	73.9	Confident	77.9	Confident	10 Å²	10	36.2 Å²	36.2	5%	0.051	22%	0.216	C	C	.	.	H	α-helix	trans	-89.4	-34	-175.9	64.5	179.4	0	0	0	112.5	M385 E415 K447 L450	M385-I418 HydrophobicContact CB-CD1 3.5Å; M385-I418 HydrophobicContact CG-CD1 3.47Å; M385-I418 VanDerWaalsContact CG-CD1 3.47Å; M385-I418 HydrophobicContact SD-CD1 3.56Å; M385-I418 VanDerWaalsContact SD-CD1 3.56Å; E415-I418 VanDerWaalsContact O-CG1 3.27Å; E415-I418 WeakPolarHBondContact O-CG1 3.34Å; E415-I418 PolarHBondContact O-N 3.15Å; I418-K447 HydrophobicContact CB-CB 4.12Å; I418-K447 HydrophobicContact CB-CD 4.45Å; I418-K447 HydrophobicContact CB-CG 4.07Å; I418-K447 HydrophobicContact CG2-CB 3.93Å; I418-K447 HydrophobicContact CG2-CG 4.37Å; I418-K447 WeakPolarHBondContact O-CE 3.28Å; I418-L450 HydrophobicContact CD1-CD2 3.24Å; I418-L450 HydrophobicContact CG1-CD2 4Å
419	I	73.6	Confident	77.7	Confident	14 Å²	14	42 Å²	42	7%	0.072	23%	0.231	C	C	.	.	S	Bend	trans	-81.3	122.3	175.5	-55.8	164.5	0	0	0	108.3	E415 I421 M464 E465	E415-I419 HydrophobicContact CB-CD1 4.25Å; E415-I419 WeakPolarHBondContact O-CD1 3.22Å; E415-I419 VanDerWaalsContact O-CG1 3.28Å; E415-I419 WeakPolarHBondContact O-CG1 3.36Å; E415-I419 PolarHBondContact O-N 2.88Å; E415-I419 VanDerWaalsContact O-N 3.13Å; I419-I421 HydrophobicContact CB-CG1 4.23Å; I419-I421 HydrophobicContact CG2-CD1 4.39Å; I419-I421 HydrophobicContact CG2-CG1 3.75Å; I419-I421 PolarHBondContact O-N 3.1Å; I419-M464 HydrophobicContact CD1-CB 3.73Å; I419-M464 HydrophobicContact CD1-CG 3.49Å; I419-M464 VanDerWaalsContact CD1-CG 3.49Å; I419-M464 HydrophobicContact CD1-SD 3.62Å; I419-M464 HydrophobicContact CG1-CG 4.45Å; I419-M464 HydrophobicContact CG1-SD 4.02Å; I419-E465 HydrophobicContact CG2-CB 4.41Å; I419-E465 HydrophobicContact CG2-CG 3.41Å; I419-E465 VanDerWaalsContact CG2-CG 3.41Å
420	N	71.1	Confident	77.6	Confident	138 Å²	138	39.4 Å²	39.4	74%	0.738	21%	0.207	S	C	*	.			trans	-80.1	71.9	-177.1	-161.3	35	0	0	0	111.2	K422	N420-K422 PolarHBondContact O-N 3.39Å
421	I	72.6	Confident	77.5	Confident	15 Å²	15	40 Å²	40	8%	0.077	21%	0.208	C	C	.	.			trans	-72.8	124.6	179.5	-55.1	172.6	0	0	0	109.1	I419 N424 L472 L478	I419-I421 HydrophobicContact CB-CG1 4.23Å; I419-I421 HydrophobicContact CG2-CD1 4.39Å; I419-I421 HydrophobicContact CG2-CG1 3.75Å; I419-I421 PolarHBondContact O-N 3.1Å; I421-N424 WeakPolarHBondContact O-CB 3.39Å; I421-N424 PolarHBondContact O-N 3.47Å; I421-L472 HydrophobicContact CB-CD1 4.08Å; I421-L472 HydrophobicContact CD1-CD1 3.74Å; I421-L472 HydrophobicContact CG2-CD1 3.97Å; I421-L478 HydrophobicContact CG2-CD1 4.14Å
422	K	70.3	Confident	77.4	Confident	77 Å²	77	38.6 Å²	38.6	34%	0.335	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	144.2	178.3	-61.7	179.3	-164.8	173.7	0	110.8	N420 N424 E483 E486 I487	N420-K422 PolarHBondContact O-N 3.39Å; K422-N424 PolarHBondContact O-N 2.91Å; K422-E483 HydrophobicContact CB-CG 4.23Å; K422-E486 WeakPolarHBondContact CA-OE2 3.47Å; K422-E486 WeakPolarHBondContact CB-OE2 3.26Å; K422-I487 HydrophobicContact CD-CG1 3.94Å
423	G	64	Low	77.4	Confident	8 Å²	8	38.1 Å²	38.1	8%	0.082	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	11.8	-175.8	0	0	0	0	0	115.9	M425 D479 E486	G423-M425 PolarHBondContact O-N 3.32Å; G423-D479 PolarHBondContact O-N 3.18Å; G423-E486 PolarHBondContact N-OE2 3.34Å
424	N	74.4	Confident	77.6	Confident	22 Å²	22	38.2 Å²	38.2	12%	0.118	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-71.2	108.9	174.8	176.3	5.2	0	0	0	111.1	I421 K422 S426 G427 L472	I421-N424 WeakPolarHBondContact O-CB 3.39Å; I421-N424 PolarHBondContact O-N 3.47Å; K422-N424 PolarHBondContact O-N 2.91Å; N424-S426 PolarHBondContact O-N 3.32Å; N424-S426 VanDerWaalsContact O-N 3.15Å; N424-S426 WeakPolarHBondContact OD1-CB 3.44Å; N424-S426 PolarHBondContact OD1-N 3.5Å; N424-G427 PolarHBondContact ND2-O 3.3Å; N424-G427 VanDerWaalsContact ND2-O 3.11Å; N424-G427 PolarHBondContact O-N 3.24Å; N424-G427 VanDerWaalsContact O-N 3.11Å; N424-G427 PolarHBondContact OD1-N 2.96Å; N424-L472 HydrophobicContact CB-CD1 4.06Å
425	M	64.1	Low	77.9	Confident	127 Å²	127	40.4 Å²	40.4	63%	0.626	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-20.5	179.9	-66.1	-171	177.2	0	0	113.9	G423 K477 D479	G423-M425 PolarHBondContact O-N 3.32Å; M425-K477 WeakPolarHBondContact CB-O 3.37Å; M425-K477 PolarHBondContact N-O 3.4Å; M425-K477 VanDerWaalsContact N-O 3.14Å; M425-D479 HydrophobicContact CE-CB 3.57Å; M425-D479 HydrophobicContact CG-CB 4.27Å
426	S	63.1	Low	78.6	Confident	22 Å²	22	39.7 Å²	39.7	15%	0.154	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-9	178.8	-59.5	0	0	0	0	113.4	N424 N428 R429 K477	N424-S426 PolarHBondContact O-N 3.32Å; N424-S426 VanDerWaalsContact O-N 3.15Å; N424-S426 WeakPolarHBondContact OD1-CB 3.44Å; N424-S426 PolarHBondContact OD1-N 3.5Å; S426-N428 PolarHBondContact O-N 2.94Å; S426-R429 WeakPolarHBondContact O-CB 3.28Å; S426-R429 PolarHBondContact O-N 3.03Å; S426-R429 VanDerWaalsContact O-N 3.09Å; S426-K477 WeakPolarHBondContact OG-CD 3.46Å; S426-K477 PolarHBondContact OG-NZ 3.5Å; S426-K477 VanDerWaalsContact OG-NZ 3.1Å
427	G	75.6	Confident	79.3	Confident	33 Å²	33	42.7 Å²	42.7	34%	0.34	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	-135.6	-175.5	0	0	0	0	0	112.6	N424 R429	N424-G427 PolarHBondContact ND2-O 3.3Å; N424-G427 VanDerWaalsContact ND2-O 3.11Å; N424-G427 PolarHBondContact O-N 3.24Å; N424-G427 VanDerWaalsContact O-N 3.11Å; N424-G427 PolarHBondContact OD1-N 2.96Å; G427-R429 PolarHBondContact O-N 3.3Å; G427-R429 VanDerWaalsContact O-N 3.15Å
428	N	79.9	Confident	80.3	Confident	61 Å²	61	43.8 Å²	43.8	33%	0.326	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	25.6	179.1	-163.9	5.6	0	0	0	113.8	I381 G382 S417 S426	I381-N428 WeakPolarHBondContact CA-O 3.47Å; G382-N428 PolarHBondContact N-O 3.39Å; G382-N428 PolarHBondContact O-OD1 3.3Å; S417-N428 PolarHBondContact O-OD1 3.19Å; S426-N428 PolarHBondContact O-N 2.94Å
429	R	85.4	Confident	81.2	Confident	144 Å²	144	47 Å²	47	54%	0.543	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-102.4	148.6	178.5	-63.8	-174.7	179.5	-89.4	1.9	111.8	G379 D380 S417 S426 G427	G379-R429 WeakPolarHBondContact O-CD 3.47Å; G379-R429 PolarHBondContact O-NH1 3.06Å; D380-R429 CarbonylContact O-C 3.59Å; D380-R429 VanDerWaalsContact O-CA 3.22Å; D380-R429 WeakPolarHBondContact O-CA 3.39Å; S417-R429 PolarHBondContact OG-O 2.62Å; S426-R429 WeakPolarHBondContact O-CB 3.28Å; S426-R429 PolarHBondContact O-N 3.03Å; S426-R429 VanDerWaalsContact O-N 3.09Å; G427-R429 PolarHBondContact O-N 3.3Å; G427-R429 VanDerWaalsContact O-N 3.15Å
430	R	87.8	Confident	82.2	Confident	13 Å²	13	46.3 Å²	46.3	5%	0.049	24%	0.243	C	C	.	.			trans	-65.7	134.6	174.3	-64.6	-63.2	-168.4	-162.1	4.8	110.3	C376 R377 G379 D380 G382 E384 G414	C376-R430 HydrophobicContact CB-CG 4.05Å; R377-R430 VanDerWaalsContact O-CB 3.22Å; R377-R430 WeakPolarHBondContact O-CB 3.3Å; G379-R430 PolarHBondContact N-O 3.42Å; D380-R430 HydrophobicContact CB-CG 4.11Å; D380-R430 WeakPolarHBondContact O-CG 3.23Å; D380-R430 PolarHBondContact O-N 3.45Å; G382-R430 VanDerWaalsContact CA-CZ 3.42Å; E384-R430 PolarHBondContact O-NH1 3.39Å; E384-R430 PolarHBondContact O-NH2 2.9Å; G414-R430 VanDerWaalsContact CA-NH1 3.28Å; G414-R430 PolarHBondContact O-NH1 3.42Å
431	T	83.8	Confident	83.1	Confident	27 Å²	27	40.6 Å²	40.6	17%	0.166	21%	0.213	C	C	.	.			trans	-89.3	-20.3	-174.8	51.3	0	0	0	0	113.7	I416	I416-T431 HydrophobicContact CG2-CG2 4.48Å
432	A	86.6	Confident	84.1	Confident	23 Å²	23	40 Å²	40	19%	0.19	21%	0.209	C	C	.	.	S	Bend	trans	-143.6	160.5	-175.2	0	0	0	0	0	112.6	K378 V395	K378-A432 PolarHBondContact N-O 3.33Å; V395-A432 HydrophobicContact CG1-CB 3.86Å
433	N	91.6	Very high	85.1	Confident	18 Å²	18	36.4 Å²	36.4	10%	0.096	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	129.8	170.2	-53.4	-63.2	0	0	0	109.2	Y374 R377 K378 V395 V396 A397 D398	Y374-N433 HydrophobicContact CD1-CB 4.31Å; Y374-N433 HydrophobicContact CE1-CB 4.01Å; R377-N433 WeakPolarHBondContact CA-OD1 3.47Å; K378-N433 WeakPolarHBondContact CB-OD1 3.28Å; K378-N433 PolarHBondContact N-OD1 2.97Å; V395-N433 WeakPolarHBondContact CA-O 3.49Å; V396-N433 HydrophobicContact CG2-CB 3.58Å; V396-N433 PolarHBondContact N-O 2.96Å; V396-N433 WeakPolarHBondContact O-CB 3.44Å; V396-N433 PolarHBondContact O-ND2 2.85Å; A397-N433 PolarHBondContact O-ND2 3.43Å; D398-N433 PolarHBondContact OD1-ND2 3.03Å
434	I	93.8	Very high	86.4	Confident	12 Å²	12	36.2 Å²	36.2	6%	0.062	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.6	179.9	-61.2	177.1	0	0	0	108.5	Y374 V375 C376 L393 V395 F413	Y374-I434 CarbonylContact C-O 3.47Å; Y374-I434 WeakPolarHBondContact CA-O 3.19Å; V375-I434 HydrophobicContact CB-CG2 4.43Å; V375-I434 PolarHBondContact N-O 3.47Å; C376-I434 PolarHBondContact O-N 3.27Å; L393-I434 HydrophobicContact CB-CG2 3.93Å; L393-I434 HydrophobicContact CD1-CG2 3.99Å; L393-I434 HydrophobicContact CG-CG2 4.45Å; V395-I434 HydrophobicContact CG2-CG1 4.5Å; F413-I434 HydrophobicContact CB-CD1 3.95Å; F413-I434 HydrophobicContact CD1-CD1 4.39Å; F413-I434 HydrophobicContact CD2-CD1 3.15Å; F413-I434 HydrophobicContact CD2-CG1 4.49Å; F413-I434 HydrophobicContact CE2-CB 4.44Å; F413-I434 HydrophobicContact CE2-CD1 3.6Å; F413-I434 HydrophobicContact CE2-CG2 4.17Å; F413-I434 HydrophobicContact CG-CD1 3.57Å; F413-I434 HydrophobicContact CZ-CD1 4.4Å; F413-I434 HydrophobicContact CZ-CG2 4.1Å
435	K	94.3	Very high	87.2	Confident	57 Å²	57	35.2 Å²	35.2	25%	0.248	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.2	-173.6	-173.7	-179.2	178	-178.8	0	110.4	G372 E373 Y374 L393 A394 V396	G372-K435 VanDerWaalsContact CA-CE 3.44Å; G372-K435 WeakPolarHBondContact O-CE 3.26Å; E373-K435 CarbonylContact O-C 3.52Å; E373-K435 WeakPolarHBondContact O-CA 3.49Å; Y374-K435 HydrophobicContact CD1-CB 4.21Å; Y374-K435 HydrophobicContact CE1-CB 4.19Å; Y374-K435 HydrophobicContact CE1-CD 4.44Å; Y374-K435 HydrophobicContact CE2-CD 4.29Å; L393-K435 CarbonylContact C-O 3.56Å; L393-K435 WeakPolarHBondContact CA-O 3.35Å; A394-K435 PolarHBondContact N-O 3.33Å; A394-K435 PolarHBondContact O-N 3.17Å; V396-K435 HydrophobicContact CG1-CB 4.27Å; V396-K435 HydrophobicContact CG2-CB 4.3Å
436	S	95.3	Very high	88.5	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	129.7	175.1	-163.7	0	0	0	0	110.9	S370 G372 E373 G438 S440	S370-S436 WeakPolarHBondContact O-CB 3.45Å; G372-S436 WeakPolarHBondContact CA-O 3.38Å; G372-S436 PolarHBondContact N-O 3.22Å; E373-S436 PolarHBondContact O-N 2.89Å; S436-G438 PolarHBondContact OG-O 3.02Å; S436-S440 WeakPolarHBondContact OG-CB 3.47Å; S436-S440 PolarHBondContact OG-OG 2.72Å
437	L	93.4	Very high	89.7	Confident	71 Å²	71	31.4 Å²	31.4	37%	0.372	17%	0.166	S	C	.	.	S	Bend	trans	-79.5	-40.2	176.2	-67.7	177.1	0	0	0	111.3	Q392 A394 V406	Q392-L437 HydrophobicContact CB-CD1 4.19Å; Q392-L437 WeakPolarHBondContact O-CB 3.4Å; Q392-L437 PolarHBondContact O-N 2.92Å; A394-L437 HydrophobicContact CB-CD1 4.24Å; A394-L437 HydrophobicContact CB-CD2 3.78Å; A394-L437 HydrophobicContact CB-CG 3.97Å; V406-L437 HydrophobicContact CG1-CD1 4.14Å; V406-L437 HydrophobicContact CG2-CD1 4.42Å
438	G	92.7	Very high	90.4	Very high	28 Å²	28	35.1 Å²	35.1	29%	0.289	17%	0.174	S	C	.	.	S	Bend	trans	-124.6	-157.5	176.2	0	0	0	0	0	111.5	S370 P371 S436	S370-G438 CarbonylContact C-O 3.52Å; P371-G438 WeakPolarHBondContact CA-O 3.46Å; S436-G438 PolarHBondContact OG-O 3.02Å
439	Y	92.8	Very high	90.9	Very high	77 Å²	77	34.2 Å²	34.2	30%	0.302	17%	0.17	S	C	.	.			trans	-72.6	127.2	162.4	-72.4	-80.9	0	0	0	108.6	H309 Y369 P371	H309-Y439 HydrophobicContact CB-CD1 4.13Å; H309-Y439 HydrophobicContact CB-CE1 3.62Å; H309-Y439 HydrophobicContact CB-CE2 4.32Å; H309-Y439 AromaticContact CD2-CD1 3.62Å; H309-Y439 AromaticContact CD2-CD2 3.34Å; H309-Y439 WeakPolarHBondContact CD2-CD2 3.34Å; H309-Y439 AromaticContact CD2-CE1 3.86Å; H309-Y439 AromaticContact CD2-CE2 3.59Å; H309-Y439 AromaticContact CD2-CG 3.35Å; H309-Y439 AromaticContact CD2-CZ 3.83Å; H309-Y439 VanDerWaalsContact CE1-CB 3.45Å; H309-Y439 WeakPolarHBondContact CE1-CB 3.33Å; H309-Y439 AromaticContact CE1-CD1 3.57Å; H309-Y439 AromaticContact CE1-CG 3.5Å; H309-Y439 AromaticContact CG-CD1 3.45Å; H309-Y439 VanDerWaalsContact CG-CD1 3.45Å; H309-Y439 AromaticContact CG-CD2 4Å; H309-Y439 AromaticContact CG-CE1 3.47Å; H309-Y439 VanDerWaalsContact CG-CE1 3.47Å; H309-Y439 AromaticContact CG-CG 3.72Å; H309-Y439 AromaticContact CG-CZ 3.75Å; H309-Y439 AromaticContact ND1-CD1 3.42Å; H309-Y439 WeakPolarHBondContact ND1-CD1 3.2Å; H309-Y439 AromaticContact ND1-CE1 3.83Å; H309-Y439 AromaticContact ND1-CG 3.8Å; H309-Y439 VanDerWaalsContact NE2-CB 3.28Å; H309-Y439 WeakPolarHBondContact NE2-CB 3.34Å; H309-Y439 AromaticContact NE2-CD1 3.71Å; H309-Y439 AromaticContact NE2-CD2 3.57Å; H309-Y439 AromaticContact NE2-CG 3.23Å; Y369-Y439 WeakPolarHBondContact O-CA 3.36Å; P371-Y439 HydrophobicContact CG-CD2 3.85Å; P371-Y439 HydrophobicContact CG-CE2 3.86Å; P371-Y439 HydrophobicContact CG-CG 4.25Å
440	S	93.3	Very high	91	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	136.7	-178.8	-56.4	0	0	0	0	110.3	T368 Y369 E390 Q392 S436	T368-S440 WeakPolarHBondContact CA-O 3.48Å; Y369-S440 PolarHBondContact N-O 3.28Å; Y369-S440 PolarHBondContact O-N 3.42Å; Y369-S440 VanDerWaalsContact O-N 3.12Å; E390-S440 CarbonylContact O-C 3.52Å; E390-S440 WeakPolarHBondContact O-CA 3.39Å; Q392-S440 PolarHBondContact N-OG 3Å; Q392-S440 PolarHBondContact O-OG 3.18Å; S436-S440 WeakPolarHBondContact OG-CB 3.47Å; S436-S440 PolarHBondContact OG-OG 2.72Å
441	D	91.7	Very high	91	Very high	17 Å²	17	35.2 Å²	35.2	9%	0.091	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	122.9	174.2	-72.4	-0.8	0	0	0	109.7	K315 T368 R389 E390	K315-D441 VanDerWaalsContact CD-OD1 3.29Å; K315-D441 WeakPolarHBondContact CD-OD1 3.34Å; K315-D441 VanDerWaalsContact CD-OD2 3.26Å; K315-D441 WeakPolarHBondContact CD-OD2 3.47Å; K315-D441 VanDerWaalsContact CE-OD2 3.3Å; K315-D441 WeakPolarHBondContact CE-OD2 3.36Å; K315-D441 IonicContact NZ-OD1 2.65Å; K315-D441 PolarHBondContact NZ-OD1 3.33Å; K315-D441 IonicContact NZ-OD2 3.12Å; K315-D441 PolarHBondContact NZ-OD2 3.15Å; T368-D441 WeakPolarHBondContact CG2-OD1 3.43Å; T368-D441 PolarHBondContact OG1-OD1 3.38Å; R389-D441 HydrophobicContact CB-CB 4.38Å; R389-D441 WeakPolarHBondContact CB-O 3.48Å; R389-D441 PolarHBondContact N-O 3.4Å; E390-D441 HydrophobicContact CB-CB 4.23Å; E390-D441 PolarHBondContact N-O 2.81Å; E390-D441 PolarHBondContact O-N 2.96Å
442	L	92.3	Very high	91.2	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	145.6	-179.3	-49.6	-175.4	0	0	0	109	Q367 Y369 V375 Y386 I387 I388 L393 F413	Q367-L442 PolarHBondContact N-O 3.48Å; Q367-L442 PolarHBondContact O-N 3.02Å; Y369-L442 HydrophobicContact CD2-CD1 3.62Å; Y369-L442 HydrophobicContact CD2-CG 3.98Å; Y369-L442 HydrophobicContact CE2-CB 4.45Å; Y369-L442 HydrophobicContact CE2-CD1 3.57Å; Y369-L442 HydrophobicContact CE2-CG 4.16Å; V375-L442 HydrophobicContact CG1-CD1 3.92Å; V375-L442 HydrophobicContact CG2-CD1 3.97Å; Y386-L442 HydrophobicContact CD1-CB 4.31Å; Y386-L442 HydrophobicContact CD1-CD1 4.25Å; Y386-L442 HydrophobicContact CG-CD1 4.3Å; I387-L442 CarbonylContact O-C 3.32Å; I387-L442 VanDerWaalsContact O-CA 3.26Å; I387-L442 WeakPolarHBondContact O-CA 3.2Å; I388-L442 HydrophobicContact CB-CD2 4.09Å; I388-L442 HydrophobicContact CG1-CD2 3.81Å; I388-L442 HydrophobicContact CG2-CD2 4.06Å; L393-L442 HydrophobicContact CD1-CD1 4.09Å; L393-L442 HydrophobicContact CD1-CD2 3.89Å; F413-L442 HydrophobicContact CE1-CD1 4.18Å; F413-L442 HydrophobicContact CZ-CD1 3.93Å
443	F	91.3	Very high	91.4	Very high	3 Å²	3	37.7 Å²	37.7	1%	0.013	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.1	159.4	-68	-66.6	0	0	0	108.8	H339 T342 L364 P366 Y386 I387 R389	H339-F443 AromaticContact CE1-CE1 3.62Å; H339-F443 AromaticContact CE1-CZ 3.57Å; H339-F443 AromaticContact ND1-CE1 3.6Å; H339-F443 AromaticContact ND1-CZ 3.14Å; H339-F443 WeakPolarHBondContact ND1-CZ 3.44Å; T342-F443 HydrophobicContact CG2-CD2 4.42Å; T342-F443 HydrophobicContact CG2-CE2 4.05Å; L364-F443 HydrophobicContact CB-CB 4.32Å; L364-F443 HydrophobicContact CB-CD1 4.05Å; L364-F443 HydrophobicContact CB-CG 4.38Å; L364-F443 HydrophobicContact CD1-CB 4.02Å; L364-F443 HydrophobicContact CD1-CD1 4.19Å; L364-F443 HydrophobicContact CD1-CD2 4.17Å; L364-F443 HydrophobicContact CD1-CG 3.89Å; L364-F443 HydrophobicContact CD2-CB 4.03Å; L364-F443 HydrophobicContact CG-CB 4.35Å; P366-F443 HydrophobicContact CB-CD1 4.3Å; P366-F443 HydrophobicContact CB-CE1 4.15Å; Y386-F443 CarbonylContact C-O 3.55Å; Y386-F443 VanDerWaalsContact CA-O 3.26Å; Y386-F443 WeakPolarHBondContact CA-O 3.35Å; I387-F443 HydrophobicContact CB-CB 4.29Å; I387-F443 PolarHBondContact N-O 2.93Å; I387-F443 PolarHBondContact O-N 2.96Å; R389-F443 HydrophobicContact CB-CD2 4.12Å; R389-F443 HydrophobicContact CB-CE2 3.86Å; R389-F443 HydrophobicContact CG-CE2 3.91Å; R389-F443 HydrophobicContact CG-CZ 4.45Å
444	C	91.5	Very high	91.1	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.02	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	134.6	172.5	-179.2	0	0	0	0	109.5	Q365 Q367 E384 M385 Y386	Q365-C444 HydrophobicContact CB-CB 4.47Å; Q365-C444 PolarHBondContact N-O 3.35Å; Q365-C444 PolarHBondContact O-N 3.37Å; Q367-C444 HydrophobicContact CG-CB 4.13Å; E384-C444 VanDerWaalsContact CB-SG 3.55Å; E384-C444 WeakPolarHBondContact CG-SG 3Å; E384-C444 PolarHBondContact OE2-SG 3.34Å; M385-C444 WeakPolarHBondContact O-CA 3.45Å; Y386-C444 HydrophobicContact CD1-CB 3.99Å; Y386-C444 HydrophobicContact CE1-CB 3.87Å
445	L	90.9	Very high	90.8	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	126.1	171.2	-178.2	67.6	0	0	0	108.7	L360 K363 L364 E384 M385 D449 L450	L360-L445 HydrophobicContact CD2-CD1 4.48Å; L360-L445 HydrophobicContact CD2-CD2 3.76Å; K363-L445 HydrophobicContact CB-CD1 3.97Å; L364-L445 HydrophobicContact CD2-CB 4.1Å; L364-L445 HydrophobicContact CD2-CD1 4.35Å; E384-L445 CarbonylContact C-O 3.59Å; E384-L445 VanDerWaalsContact CA-O 3.28Å; E384-L445 WeakPolarHBondContact CA-O 3.39Å; M385-L445 HydrophobicContact CG-CB 3.83Å; M385-L445 HydrophobicContact CG-CD2 4.29Å; M385-L445 HydrophobicContact CG-CG 4.48Å; M385-L445 PolarHBondContact N-O 2.8Å; M385-L445 PolarHBondContact O-N 3.04Å; M385-L445 HydrophobicContact SD-CD2 3.98Å; L445-D449 HydrophobicContact CD1-CB 3.94Å; L445-L450 HydrophobicContact CD2-CB 3.83Å; L445-L450 HydrophobicContact CD2-CD1 3.68Å; L445-L450 HydrophobicContact CD2-CG 4.22Å; L445-L450 HydrophobicContact CG-CB 4.16Å
446	S	91.8	Very high	90.6	Very high	23 Å²	23	44 Å²	44	16%	0.161	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	155.8	-179.2	81.2	0	0	0	0	111.7	E448 D449 L450	S446-E448 VanDerWaalsContact C-N 3.28Å; S446-E448 PolarHBondContact O-N 2.96Å; S446-D449 WeakPolarHBondContact CB-OD2 3.18Å; S446-D449 PolarHBondContact O-N 2.8Å; S446-D449 VanDerWaalsContact OG-CB 3.23Å; S446-D449 WeakPolarHBondContact OG-CB 3.22Å; S446-D449 PolarHBondContact OG-N 3.47Å; S446-D449 PolarHBondContact OG-OD2 3.26Å; S446-L450 WeakPolarHBondContact O-CB 3.5Å; S446-L450 PolarHBondContact O-N 3.37Å
447	K	88.3	Confident	90.2	Very high	46 Å²	46	46 Å²	46	20%	0.2	23%	0.227	C	C	.	.	H	α-helix	trans	-61.6	-39.5	175.3	178.2	174.2	-177.7	158.9	0	111.4	R383 I418 R451	R383-K447 VanDerWaalsContact O-CB 3.26Å; R383-K447 WeakPolarHBondContact O-CB 3.47Å; R383-K447 PolarHBondContact O-N 3.12Å; I418-K447 HydrophobicContact CB-CB 4.12Å; I418-K447 HydrophobicContact CB-CD 4.45Å; I418-K447 HydrophobicContact CB-CG 4.07Å; I418-K447 HydrophobicContact CG2-CB 3.93Å; I418-K447 HydrophobicContact CG2-CG 4.37Å; I418-K447 WeakPolarHBondContact O-CE 3.28Å; K447-R451 WeakPolarHBondContact O-CB 3.34Å; K447-R451 PolarHBondContact O-N 3.38Å
448	E	89.6	Confident	89.8	Confident	110 Å²	110	46.8 Å²	46.8	51%	0.514	24%	0.236	S	C	.	.	H	α-helix	trans	-64.4	-49.4	-179.9	-65.2	73.6	-159.7	0	0	110.7	S446 R451 E452	S446-E448 VanDerWaalsContact C-N 3.28Å; S446-E448 PolarHBondContact O-N 2.96Å; E448-R451 PolarHBondContact O-N 3.42Å; E448-E452 PolarHBondContact O-N 3.29Å
449	D	90.8	Very high	89.5	Confident	43 Å²	43	52.9 Å²	52.9	23%	0.23	26%	0.257	C	S	.	.	H	α-helix	trans	-62.3	-46.6	179.5	-68	-34.7	0	0	0	111.3	K363 L445 S446 R451 E452 V453	K363-D449 HydrophobicContact CB-CB 4.08Å; K363-D449 HydrophobicContact CD-CB 3.6Å; K363-D449 HydrophobicContact CG-CB 4.42Å; L445-D449 HydrophobicContact CD1-CB 3.94Å; S446-D449 WeakPolarHBondContact CB-OD2 3.18Å; S446-D449 PolarHBondContact O-N 2.8Å; S446-D449 VanDerWaalsContact OG-CB 3.23Å; S446-D449 WeakPolarHBondContact OG-CB 3.22Å; S446-D449 PolarHBondContact OG-N 3.47Å; S446-D449 PolarHBondContact OG-OD2 3.26Å; D449-R451 PolarHBondContact O-N 3.05Å; D449-E452 PolarHBondContact O-N 3.1Å; D449-V453 VanDerWaalsContact O-CG2 3.29Å; D449-V453 WeakPolarHBondContact O-CG2 3.25Å; D449-V453 PolarHBondContact O-N 3.32Å; D449-V453 VanDerWaalsContact O-N 3.12Å
450	L	87.9	Confident	89	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-63.8	-42.3	178	-179.5	67.7	0	0	0	111.3	L360 M385 I418 L445 S446 E452 V453 L454 M464	L360-L450 HydrophobicContact CD2-CD1 4.01Å; M385-L450 HydrophobicContact SD-CD2 3.86Å; I418-L450 HydrophobicContact CD1-CD2 3.24Å; I418-L450 HydrophobicContact CG1-CD2 4Å; L445-L450 HydrophobicContact CD2-CB 3.83Å; L445-L450 HydrophobicContact CD2-CD1 3.68Å; L445-L450 HydrophobicContact CD2-CG 4.22Å; L445-L450 HydrophobicContact CG-CB 4.16Å; S446-L450 WeakPolarHBondContact O-CB 3.5Å; S446-L450 PolarHBondContact O-N 3.37Å; L450-E452 VanDerWaalsContact C-N 3.33Å; L450-E452 PolarHBondContact O-N 3.13Å; L450-V453 PolarHBondContact O-N 2.84Å; L450-L454 HydrophobicContact CD1-CD1 3.81Å; L450-L454 HydrophobicContact CD1-CD2 4.31Å; L450-L454 HydrophobicContact CD1-CG 3.77Å; L450-L454 HydrophobicContact CD2-CD1 4.01Å; L450-L454 HydrophobicContact CG-CD1 3.63Å; L450-L454 HydrophobicContact CG-CG 3.96Å; L450-L454 VanDerWaalsContact O-CB 3.3Å; L450-L454 WeakPolarHBondContact O-CB 3.22Å; L450-L454 VanDerWaalsContact O-CG 3.26Å; L450-L454 WeakPolarHBondContact O-CG 3.48Å; L450-L454 PolarHBondContact O-N 2.89Å; L450-M464 HydrophobicContact CD1-CE 4.09Å; L450-M464 HydrophobicContact CD1-SD 4.43Å; L450-M464 HydrophobicContact CD2-CE 3.96Å; L450-M464 HydrophobicContact CD2-SD 3.81Å
451	R	87.2	Confident	88.6	Confident	174 Å²	174	53.4 Å²	53.4	66%	0.657	27%	0.265	S	S	*	.	H	α-helix	trans	-64.3	-39.9	-179.4	-176.9	-175.1	67.6	92.6	4	111.7	K447 E448 D449 S455	K447-R451 WeakPolarHBondContact O-CB 3.34Å; K447-R451 PolarHBondContact O-N 3.38Å; E448-R451 PolarHBondContact O-N 3.42Å; D449-R451 PolarHBondContact O-N 3.05Å; R451-S455 WeakPolarHBondContact O-CB 3.27Å; R451-S455 PolarHBondContact O-N 2.84Å; R451-S455 VanDerWaalsContact O-N 3.08Å
452	E	89	Confident	88.2	Confident	102 Å²	102	55.2 Å²	55.2	48%	0.477	28%	0.282	S	S	.	.	H	α-helix	trans	-59.7	-52.5	175.4	-174.6	-179.7	-166.4	0	0	110.3	K363 E448 D449 L450 L454 S455	K363-E452 IonicContact NZ-OE1 2.75Å; K363-E452 IonicContact NZ-OE2 3.72Å; K363-E452 PolarHBondContact NZ-OE2 2.92Å; E448-E452 PolarHBondContact O-N 3.29Å; D449-E452 PolarHBondContact O-N 3.1Å; L450-E452 VanDerWaalsContact C-N 3.33Å; L450-E452 PolarHBondContact O-N 3.13Å; E452-L454 PolarHBondContact O-N 3.21Å; E452-S455 WeakPolarHBondContact O-CB 3.42Å; E452-S455 PolarHBondContact O-N 3.13Å; E452-S455 PolarHBondContact O-OG 2.87Å
453	V	89.3	Confident	87.8	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.3	-47.6	-179.8	-179.7	0	0	0	0	111.1	L356 E359 L360 K363 D449 L450 S455 E456 Y457	L356-V453 HydrophobicContact CD1-CG1 3.2Å; E359-V453 HydrophobicContact CB-CG1 4.44Å; E359-V453 HydrophobicContact CG-CG2 4.06Å; L360-V453 HydrophobicContact CD2-CB 4.15Å; L360-V453 HydrophobicContact CD2-CG1 3.97Å; L360-V453 HydrophobicContact CD2-CG2 4.21Å; L360-V453 HydrophobicContact CG-CG1 4.1Å; K363-V453 HydrophobicContact CD-CG2 4.03Å; D449-V453 VanDerWaalsContact O-CG2 3.29Å; D449-V453 WeakPolarHBondContact O-CG2 3.25Å; D449-V453 PolarHBondContact O-N 3.32Å; D449-V453 VanDerWaalsContact O-N 3.12Å; L450-V453 PolarHBondContact O-N 2.84Å; V453-S455 PolarHBondContact O-N 3.19Å; V453-S455 VanDerWaalsContact O-N 3.16Å; V453-E456 PolarHBondContact O-N 3.04Å; V453-Y457 HydrophobicContact CG1-CD2 4.19Å; V453-Y457 HydrophobicContact CG1-CE2 4.35Å; V453-Y457 WeakPolarHBondContact O-CD2 3.46Å; V453-Y457 PolarHBondContact O-N 3.31Å
454	L	86.7	Confident	87.3	Confident	12 Å²	12	58.3 Å²	58.3	6%	0.063	30%	0.301	C	S	.	.	H	α-helix	trans	-63.5	-23.6	-179.7	-72.3	-178.4	0	0	0	113.6	L450 E452 E456 Y457 A460 Q461 M464	L450-L454 HydrophobicContact CD1-CD1 3.81Å; L450-L454 HydrophobicContact CD1-CD2 4.31Å; L450-L454 HydrophobicContact CD1-CG 3.77Å; L450-L454 HydrophobicContact CD2-CD1 4.01Å; L450-L454 HydrophobicContact CG-CD1 3.63Å; L450-L454 HydrophobicContact CG-CG 3.96Å; L450-L454 VanDerWaalsContact O-CB 3.3Å; L450-L454 WeakPolarHBondContact O-CB 3.22Å; L450-L454 VanDerWaalsContact O-CG 3.26Å; L450-L454 WeakPolarHBondContact O-CG 3.48Å; L450-L454 PolarHBondContact O-N 2.89Å; E452-L454 PolarHBondContact O-N 3.21Å; L454-E456 PolarHBondContact O-N 3.12Å; L454-Y457 CarbonylContact O-C 3.26Å; L454-Y457 VanDerWaalsContact O-C 3.32Å; L454-Y457 PolarHBondContact O-N 3.05Å; L454-A460 HydrophobicContact CD2-CB 4.11Å; L454-Q461 HydrophobicContact CB-CB 4.22Å; L454-Q461 HydrophobicContact CB-CG 4.47Å; L454-Q461 HydrophobicContact CD1-CB 4.46Å; L454-Q461 HydrophobicContact CD1-CG 4.39Å; L454-Q461 HydrophobicContact CD2-CB 4.35Å; L454-M464 HydrophobicContact CD1-SD 3.81Å
455	S	87.5	Confident	86.9	Confident	85 Å²	85	61.9 Å²	61.9	59%	0.594	32%	0.317	S	S	*	.	H	α-helix	trans	-65.9	-25.2	175.9	76.3	0	0	0	0	113	R451 E452 V453	R451-S455 WeakPolarHBondContact O-CB 3.27Å; R451-S455 PolarHBondContact O-N 2.84Å; R451-S455 VanDerWaalsContact O-N 3.08Å; E452-S455 WeakPolarHBondContact O-CB 3.42Å; E452-S455 PolarHBondContact O-N 3.13Å; E452-S455 PolarHBondContact O-OG 2.87Å; V453-S455 PolarHBondContact O-N 3.19Å; V453-S455 VanDerWaalsContact O-N 3.16Å
456	E	88.9	Confident	86.5	Confident	123 Å²	123	68.5 Å²	68.5	58%	0.575	35%	0.348	S	S	*	.	H	α-helix	trans	-86.7	-24.1	175	-57.1	-167.3	-179.8	0	0	112.3	V453 L454 P458	V453-E456 PolarHBondContact O-N 3.04Å; L454-E456 PolarHBondContact O-N 3.12Å; E456-P458 VanDerWaalsContact O-CD 3.28Å; E456-P458 WeakPolarHBondContact O-CD 3.48Å
457	Y	87.6	Confident	86	Confident	42 Å²	42	70.1 Å²	70.1	17%	0.165	35%	0.352	C	S	.	.			trans	-120.7	74.4	-176.7	-58.7	-88.3	0	0	0	112.6	S355 L356 V453 L454 Q459 A460 Q461	S355-Y457 WeakPolarHBondContact CB-OH 3.42Å; L356-Y457 HydrophobicContact CB-CD1 3.95Å; L356-Y457 HydrophobicContact CB-CD2 4.05Å; L356-Y457 HydrophobicContact CB-CE1 3.96Å; L356-Y457 HydrophobicContact CB-CE2 4.09Å; L356-Y457 HydrophobicContact CB-CG 3.99Å; L356-Y457 HydrophobicContact CD1-CD2 3.65Å; L356-Y457 HydrophobicContact CD1-CE2 4.13Å; L356-Y457 HydrophobicContact CD1-CG 4.04Å; L356-Y457 HydrophobicContact CD2-CG 4.31Å; L356-Y457 HydrophobicContact CG-CD2 4.34Å; L356-Y457 HydrophobicContact CG-CG 4.35Å; V453-Y457 HydrophobicContact CG1-CD2 4.19Å; V453-Y457 HydrophobicContact CG1-CE2 4.35Å; V453-Y457 WeakPolarHBondContact O-CD2 3.46Å; V453-Y457 PolarHBondContact O-N 3.31Å; L454-Y457 CarbonylContact O-C 3.26Å; L454-Y457 VanDerWaalsContact O-C 3.32Å; L454-Y457 PolarHBondContact O-N 3.05Å; Y457-Q459 VanDerWaalsContact C-N 3.28Å; Y457-Q459 PolarHBondContact O-N 3Å; Y457-A460 PolarHBondContact O-N 2.86Å; Y457-A460 VanDerWaalsContact O-N 3.13Å; Y457-Q461 PolarHBondContact O-N 3.5Å
458	P	85.7	Confident	85.6	Confident	87 Å²	87	68 Å²	68	57%	0.565	34%	0.343	S	S	*	.	H	α-helix	trans	-64	-28	-173.5	23.8	-34.2	0	0	0	114.2	E456 Q461 A462	E456-P458 VanDerWaalsContact O-CD 3.28Å; E456-P458 WeakPolarHBondContact O-CD 3.48Å; P458-Q461 PolarHBondContact O-N 2.82Å; P458-A462 PolarHBondContact O-N 3.46Å
459	Q	84.7	Confident	85.1	Confident	155 Å²	155	67.7 Å²	67.7	72%	0.724	34%	0.337	S	S	*	.	H	α-helix	trans	-65.5	-41.6	176.1	-65.2	-173.3	8.4	0	0	111.9	Y457 Q461 A462 V463	Y457-Q459 VanDerWaalsContact C-N 3.28Å; Y457-Q459 PolarHBondContact O-N 3Å; Q459-Q461 VanDerWaalsContact C-N 3.34Å; Q459-A462 PolarHBondContact O-N 3.16Å; Q459-V463 WeakPolarHBondContact O-CG2 3.38Å; Q459-V463 PolarHBondContact O-N 3.03Å
460	A	82.8	Confident	84.7	Confident	15 Å²	15	70.3 Å²	70.3	12%	0.124	35%	0.348	C	S	.	.	H	α-helix	trans	-67.8	-37.9	177.4	0	0	0	0	0	111.3	L356 L454 Y457 A462 V463 M464	L356-A460 HydrophobicContact CD2-CB 3.3Å; L454-A460 HydrophobicContact CD2-CB 4.11Å; Y457-A460 PolarHBondContact O-N 2.86Å; Y457-A460 VanDerWaalsContact O-N 3.13Å; A460-A462 PolarHBondContact O-N 2.87Å; A460-V463 PolarHBondContact O-N 3.47Å; A460-M464 PolarHBondContact O-N 3.27Å
461	Q	85	Confident	84.3	Confident	73 Å²	73	72.1 Å²	72.1	34%	0.341	36%	0.358	S	S	.	.	H	α-helix	trans	-58.4	-46.6	174	-173.8	-178.6	-13	0	0	111.6	L454 Y457 P458 Q459 V463 M464 E465	L454-Q461 HydrophobicContact CB-CB 4.22Å; L454-Q461 HydrophobicContact CB-CG 4.47Å; L454-Q461 HydrophobicContact CD1-CB 4.46Å; L454-Q461 HydrophobicContact CD1-CG 4.39Å; L454-Q461 HydrophobicContact CD2-CB 4.35Å; Y457-Q461 PolarHBondContact O-N 3.5Å; P458-Q461 PolarHBondContact O-N 2.82Å; Q459-Q461 VanDerWaalsContact C-N 3.34Å; Q461-V463 PolarHBondContact O-N 2.88Å; Q461-M464 WeakPolarHBondContact O-CB 3.44Å; Q461-M464 PolarHBondContact O-N 3.38Å; Q461-M464 VanDerWaalsContact O-N 3.14Å; Q461-E465 HydrophobicContact CG-CG 4.5Å; Q461-E465 WeakPolarHBondContact CG-OE1 3.36Å; Q461-E465 PolarHBondContact NE2-OE1 3.31Å; Q461-E465 WeakPolarHBondContact O-CG 3.23Å; Q461-E465 PolarHBondContact O-N 2.94Å
462	A	84.3	Confident	83.9	Confident	55 Å²	55	63.9 Å²	63.9	46%	0.455	33%	0.326	S	S	.	.	H	α-helix	trans	-60.6	-43.8	179.8	0	0	0	0	0	112.5	P458 Q459 A460 M464 E465 E466	P458-A462 PolarHBondContact O-N 3.46Å; Q459-A462 PolarHBondContact O-N 3.16Å; A460-A462 PolarHBondContact O-N 2.87Å; A462-M464 VanDerWaalsContact C-N 3.28Å; A462-M464 PolarHBondContact O-N 2.88Å; A462-E465 PolarHBondContact O-N 3.43Å; A462-E466 WeakPolarHBondContact O-CB 3.35Å; A462-E466 PolarHBondContact O-N 3.35Å
463	V	83.9	Confident	83.5	Confident	68 Å²	68	63.1 Å²	63.1	41%	0.412	33%	0.325	S	S	.	.	H	α-helix	trans	-62.4	-38.3	176.1	174.3	0	0	0	0	111.2	Q459 A460 Q461 K467	Q459-V463 WeakPolarHBondContact O-CG2 3.38Å; Q459-V463 PolarHBondContact O-N 3.03Å; A460-V463 PolarHBondContact O-N 3.47Å; Q461-V463 PolarHBondContact O-N 2.88Å; V463-K467 PolarHBondContact O-N 3.18Å; V463-K467 VanDerWaalsContact O-N 3.14Å
464	M	80.2	Confident	83.1	Confident	3 Å²	3	70.4 Å²	70.4	2%	0.015	36%	0.357	C	S	.	.	H	α-helix	trans	-65.7	-46	177.3	-131.1	-171.2	-149.6	0	0	112	I348 F349 M385 I419 L450 L454 A460 Q461 A462 G468	I348-M464 HydrophobicContact CD1-CB 4.26Å; I348-M464 HydrophobicContact CD1-CE 3.85Å; I348-M464 HydrophobicContact CD1-CG 3.21Å; I348-M464 HydrophobicContact CD1-SD 4.37Å; I348-M464 HydrophobicContact CG1-CG 4.05Å; F349-M464 HydrophobicContact CE1-CE 3.94Å; F349-M464 HydrophobicContact CZ-CE 3.73Å; M385-M464 HydrophobicContact CE-CE 4.22Å; M385-M464 HydrophobicContact SD-CE 3.98Å; I419-M464 HydrophobicContact CD1-CB 3.73Å; I419-M464 HydrophobicContact CD1-CG 3.49Å; I419-M464 VanDerWaalsContact CD1-CG 3.49Å; I419-M464 HydrophobicContact CD1-SD 3.62Å; I419-M464 HydrophobicContact CG1-CG 4.45Å; I419-M464 HydrophobicContact CG1-SD 4.02Å; L450-M464 HydrophobicContact CD1-CE 4.09Å; L450-M464 HydrophobicContact CD1-SD 4.43Å; L450-M464 HydrophobicContact CD2-CE 3.96Å; L450-M464 HydrophobicContact CD2-SD 3.81Å; L454-M464 HydrophobicContact CD1-SD 3.81Å; A460-M464 PolarHBondContact O-N 3.27Å; Q461-M464 WeakPolarHBondContact O-CB 3.44Å; Q461-M464 PolarHBondContact O-N 3.38Å; Q461-M464 VanDerWaalsContact O-N 3.14Å; A462-M464 VanDerWaalsContact C-N 3.28Å; A462-M464 PolarHBondContact O-N 2.88Å; M464-G468 PolarHBondContact O-N 2.86Å
465	E	83.4	Confident	82.5	Confident	77 Å²	77	74 Å²	74	36%	0.36	37%	0.374	S	S	.	.	H	α-helix	trans	-62.8	-43.7	177.6	-77.8	176.4	-170.3	0	0	111.7	I419 Q461 A462 G468 R469	I419-E465 HydrophobicContact CG2-CB 4.41Å; I419-E465 HydrophobicContact CG2-CG 3.41Å; I419-E465 VanDerWaalsContact CG2-CG 3.41Å; Q461-E465 HydrophobicContact CG-CG 4.5Å; Q461-E465 WeakPolarHBondContact CG-OE1 3.36Å; Q461-E465 PolarHBondContact NE2-OE1 3.31Å; Q461-E465 WeakPolarHBondContact O-CG 3.23Å; Q461-E465 PolarHBondContact O-N 2.94Å; A462-E465 PolarHBondContact O-N 3.43Å; E465-G468 PolarHBondContact O-N 2.97Å; E465-R469 WeakPolarHBondContact O-CB 3.21Å; E465-R469 PolarHBondContact O-N 3.35Å
466	E	83.2	Confident	82	Confident	142 Å²	142	76.9 Å²	76.9	66%	0.664	38%	0.383	S	S	*	.	H	α-helix	trans	-61.1	-49.5	177.7	-175.2	178.2	-170	0	0	111.7	A462 G468 R469 E470	A462-E466 WeakPolarHBondContact O-CB 3.35Å; A462-E466 PolarHBondContact O-N 3.35Å; E466-G468 PolarHBondContact O-N 3.31Å; E466-R469 WeakPolarHBondContact O-CB 3.38Å; E466-R469 PolarHBondContact O-N 3.46Å; E466-E470 PolarHBondContact O-N 2.93Å
467	K	80.4	Confident	81.4	Confident	57 Å²	57	73.8 Å²	73.8	25%	0.248	37%	0.368	C	S	.	.	H	α-helix	trans	-61.9	-42.9	175.7	-82.3	-162.6	175.5	-177.8	0	112.1	Q347 I348 V463 R469 E470 I471	Q347-K467 PolarHBondContact O-NZ 2.75Å; I348-K467 HydrophobicContact CG1-CD 4.45Å; V463-K467 PolarHBondContact O-N 3.18Å; V463-K467 VanDerWaalsContact O-N 3.14Å; K467-R469 VanDerWaalsContact C-N 3.28Å; K467-R469 PolarHBondContact O-N 3.07Å; K467-E470 PolarHBondContact O-N 3.38Å; K467-I471 VanDerWaalsContact O-CG1 3.29Å; K467-I471 WeakPolarHBondContact O-CG1 3.32Å; K467-I471 PolarHBondContact O-N 3.4Å; K467-I471 VanDerWaalsContact O-N 3.1Å
468	G	79.4	Confident	80.9	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-59.9	-39.8	176.6	0	0	0	0	0	112.2	M464 E465 E466 I471 L472	M464-G468 PolarHBondContact O-N 2.86Å; E465-G468 PolarHBondContact O-N 2.97Å; E466-G468 PolarHBondContact O-N 3.31Å; G468-I471 PolarHBondContact O-N 3.15Å; G468-L472 WeakPolarHBondContact O-CG 3.36Å; G468-L472 PolarHBondContact O-N 2.89Å
469	R	80.4	Confident	80.5	Confident	104 Å²	104	70.9 Å²	70.9	39%	0.392	35%	0.35	S	S	.	.	H	α-helix	trans	-65.4	-44.6	176.1	-166.5	-177.6	-174.4	-166.1	1.2	111.9	E465 E466 K467 I471 L472 L473 L478 E483	E465-R469 WeakPolarHBondContact O-CB 3.21Å; E465-R469 PolarHBondContact O-N 3.35Å; E466-R469 WeakPolarHBondContact O-CB 3.38Å; E466-R469 PolarHBondContact O-N 3.46Å; K467-R469 VanDerWaalsContact C-N 3.28Å; K467-R469 PolarHBondContact O-N 3.07Å; R469-I471 VanDerWaalsContact C-N 3.27Å; R469-I471 PolarHBondContact O-N 3.04Å; R469-L472 PolarHBondContact O-N 3.42Å; R469-L473 HydrophobicContact CG-CD1 4.31Å; R469-L473 WeakPolarHBondContact O-CB 3.48Å; R469-L473 WeakPolarHBondContact O-CG 3.31Å; R469-L473 PolarHBondContact O-N 2.95Å; R469-L478 HydrophobicContact CG-CD2 3.56Å; R469-E483 IonicContact CZ-OE1 2.94Å; R469-E483 IonicContact CZ-OE2 3.33Å; R469-E483 IonicContact NE-OE1 3.15Å; R469-E483 PolarHBondContact NE-OE1 3.41Å; R469-E483 IonicContact NE-OE2 2.62Å; R469-E483 PolarHBondContact NE-OE2 3.38Å; R469-E483 IonicContact NH1-OE1 3.96Å; R469-E483 VanDerWaalsContact NH2-CD 3.29Å; R469-E483 IonicContact NH2-OE1 3.56Å; R469-E483 PolarHBondContact NH2-OE1 3.05Å; R469-E483 IonicContact NH2-OE2 3.32Å; R469-E483 PolarHBondContact NH2-OE2 2.67Å
470	E	82.3	Confident	80	Confident	98 Å²	98	66.8 Å²	66.8	46%	0.458	34%	0.335	S	S	.	.	H	α-helix	trans	-57.4	-42.2	176.3	-166.5	-164.5	158.8	0	0	111.4	E466 K467 L473 K474	E466-E470 PolarHBondContact O-N 2.93Å; K467-E470 PolarHBondContact O-N 3.38Å; E470-L473 PolarHBondContact O-N 3.32Å; E470-K474 WeakPolarHBondContact O-CG 3.49Å; E470-K474 PolarHBondContact O-N 3.06Å; E470-K474 VanDerWaalsContact OE1-CE 3.23Å; E470-K474 WeakPolarHBondContact OE1-CE 3.35Å; E470-K474 IonicContact OE1-NZ 3.51Å; E470-K474 PolarHBondContact OE1-NZ 3.06Å
471	I	78.8	Confident	79.4	Confident	43 Å²	43	72.3 Å²	72.3	22%	0.221	36%	0.363	C	S	.	.	H	α-helix	trans	-68.9	-43.3	178.8	-61.1	165	0	0	0	110.9	E415 I416 K467 G468 R469 L473 K474 M475	E415-I471 WeakPolarHBondContact OE1-CD1 3.37Å; I416-I471 HydrophobicContact CD1-CB 4.21Å; I416-I471 HydrophobicContact CD1-CG2 3.57Å; K467-I471 VanDerWaalsContact O-CG1 3.29Å; K467-I471 WeakPolarHBondContact O-CG1 3.32Å; K467-I471 PolarHBondContact O-N 3.4Å; K467-I471 VanDerWaalsContact O-N 3.1Å; G468-I471 PolarHBondContact O-N 3.15Å; R469-I471 VanDerWaalsContact C-N 3.27Å; R469-I471 PolarHBondContact O-N 3.04Å; I471-L473 VanDerWaalsContact C-N 3.32Å; I471-L473 PolarHBondContact O-N 2.92Å; I471-K474 PolarHBondContact O-N 2.83Å; I471-M475 HydrophobicContact CG2-CE 3.77Å; I471-M475 HydrophobicContact CG2-SD 4.19Å; I471-M475 WeakPolarHBondContact O-CG 3.2Å; I471-M475 PolarHBondContact O-N 3.16Å
472	L	78.8	Confident	78.7	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-62.1	-38.1	176.4	-77.7	173.9	0	0	0	112.6	I416 I421 N424 G468 R469 M475 N476 K477 L478	I416-L472 HydrophobicContact CG2-CD1 4.07Å; I416-L472 HydrophobicContact CG2-CD2 3.58Å; I416-L472 HydrophobicContact CG2-CG 3.82Å; I421-L472 HydrophobicContact CB-CD1 4.08Å; I421-L472 HydrophobicContact CD1-CD1 3.74Å; I421-L472 HydrophobicContact CG2-CD1 3.97Å; N424-L472 HydrophobicContact CB-CD1 4.06Å; G468-L472 WeakPolarHBondContact O-CG 3.36Å; G468-L472 PolarHBondContact O-N 2.89Å; R469-L472 PolarHBondContact O-N 3.42Å; L472-M475 CarbonylContact O-C 3.51Å; L472-M475 PolarHBondContact O-N 3.45Å; L472-N476 PolarHBondContact O-N 3.06Å; L472-N476 VanDerWaalsContact O-N 3.16Å; L472-K477 HydrophobicContact CD2-CB 3.99Å; L472-K477 PolarHBondContact O-N 3.28Å; L472-L478 HydrophobicContact CB-CB 4.05Å; L472-L478 HydrophobicContact CB-CD1 4.37Å; L472-L478 HydrophobicContact CD1-CD1 4.03Å
473	L	81.4	Confident	78.1	Confident	86 Å²	86	68.5 Å²	68.5	45%	0.45	34%	0.341	S	S	.	.	H	α-helix	trans	-63.7	-46.9	173.7	-77.6	166.6	0	0	0	111.6	R469 E470 I471 M475 N476 L478 V480	R469-L473 HydrophobicContact CG-CD1 4.31Å; R469-L473 WeakPolarHBondContact O-CB 3.48Å; R469-L473 WeakPolarHBondContact O-CG 3.31Å; R469-L473 PolarHBondContact O-N 2.95Å; E470-L473 PolarHBondContact O-N 3.32Å; I471-L473 VanDerWaalsContact C-N 3.32Å; I471-L473 PolarHBondContact O-N 2.92Å; L473-M475 PolarHBondContact O-N 3.42Å; L473-N476 PolarHBondContact O-N 3.4Å; L473-L478 HydrophobicContact CD1-CD2 4.34Å; L473-L478 HydrophobicContact CD2-CB 4.23Å; L473-L478 HydrophobicContact CD2-CD2 3.81Å; L473-L478 HydrophobicContact CG-CB 4.42Å; L473-L478 HydrophobicContact CG-CD2 3.74Å; L473-V480 HydrophobicContact CD2-CG2 4.11Å
474	K	80.2	Confident	77.5	Confident	154 Å²	154	67.9 Å²	67.9	67%	0.67	34%	0.344	S	S	*	.	H	α-helix	trans	-59.9	-33.1	175.6	-75.5	176.5	-173.8	167.3	0	112.6	E470 I471 N476	E470-K474 WeakPolarHBondContact O-CG 3.49Å; E470-K474 PolarHBondContact O-N 3.06Å; E470-K474 VanDerWaalsContact OE1-CE 3.23Å; E470-K474 WeakPolarHBondContact OE1-CE 3.35Å; E470-K474 IonicContact OE1-NZ 3.51Å; E470-K474 PolarHBondContact OE1-NZ 3.06Å; I471-K474 PolarHBondContact O-N 2.83Å; K474-N476 VanDerWaalsContact C-N 3.29Å
475	M	73.6	Confident	77.2	Confident	87 Å²	87	70.6 Å²	70.6	43%	0.429	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	0.3	177.1	-66.4	-174.4	178.2	0	0	113.8	I471 L472 L473 K477	I471-M475 HydrophobicContact CG2-CE 3.77Å; I471-M475 HydrophobicContact CG2-SD 4.19Å; I471-M475 WeakPolarHBondContact O-CG 3.2Å; I471-M475 PolarHBondContact O-N 3.16Å; L472-M475 CarbonylContact O-C 3.51Å; L472-M475 PolarHBondContact O-N 3.45Å; L473-M475 PolarHBondContact O-N 3.42Å; M475-K477 HydrophobicContact CB-CB 4.34Å; M475-K477 HydrophobicContact CB-CG 4.06Å; M475-K477 WeakPolarHBondContact O-CG 3.45Å; M475-K477 PolarHBondContact O-N 3.17Å
476	N	76.8	Confident	76.7	Confident	145 Å²	145	71.3 Å²	71.3	78%	0.775	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	39.5	-175.4	-151.1	15.1	0	0	0	112.8	L472 L473 K474	L472-N476 PolarHBondContact O-N 3.06Å; L472-N476 VanDerWaalsContact O-N 3.16Å; L473-N476 PolarHBondContact O-N 3.4Å; K474-N476 VanDerWaalsContact C-N 3.29Å
477	K	76.4	Confident	76.4	Confident	58 Å²	58	67.4 Å²	67.4	25%	0.252	35%	0.353	S	S	.	.			trans	-117.6	6.7	-175.1	-72.2	-138.2	-179.4	178.7	0	113.9	M425 S426 L472 M475	M425-K477 WeakPolarHBondContact CB-O 3.37Å; M425-K477 PolarHBondContact N-O 3.4Å; M425-K477 VanDerWaalsContact N-O 3.14Å; S426-K477 WeakPolarHBondContact OG-CD 3.46Å; S426-K477 PolarHBondContact OG-NZ 3.5Å; S426-K477 VanDerWaalsContact OG-NZ 3.1Å; L472-K477 HydrophobicContact CD2-CB 3.99Å; L472-K477 PolarHBondContact O-N 3.28Å; M475-K477 HydrophobicContact CB-CB 4.34Å; M475-K477 HydrophobicContact CB-CG 4.06Å; M475-K477 WeakPolarHBondContact O-CG 3.45Å; M475-K477 PolarHBondContact O-N 3.17Å
478	L	77.4	Confident	76.3	Confident	12 Å²	12	67.2 Å²	67.2	6%	0.063	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-103.4	122.3	173.7	-165.8	70.4	0	0	0	109	I421 R469 L472 L473 V480 E483	I421-L478 HydrophobicContact CG2-CD1 4.14Å; R469-L478 HydrophobicContact CG-CD2 3.56Å; L472-L478 HydrophobicContact CB-CB 4.05Å; L472-L478 HydrophobicContact CB-CD1 4.37Å; L472-L478 HydrophobicContact CD1-CD1 4.03Å; L473-L478 HydrophobicContact CD1-CD2 4.34Å; L473-L478 HydrophobicContact CD2-CB 4.23Å; L473-L478 HydrophobicContact CD2-CD2 3.81Å; L473-L478 HydrophobicContact CG-CB 4.42Å; L473-L478 HydrophobicContact CG-CD2 3.74Å; L478-V480 PolarHBondContact O-N 2.87Å; L478-E483 WeakPolarHBondContact CD2-OE2 3.49Å
479	D	76.8	Confident	76.3	Confident	56 Å²	56	72.7 Å²	72.7	30%	0.299	39%	0.391	S	S	.	.			trans	-87.4	98.9	167.8	-169.1	-23.7	0	0	0	108.9	G423 M425 N481 A482 E483	G423-D479 PolarHBondContact O-N 3.18Å; M425-D479 HydrophobicContact CE-CB 3.57Å; M425-D479 HydrophobicContact CG-CB 4.27Å; D479-N481 PolarHBondContact O-N 3.3Å; D479-N481 WeakPolarHBondContact OD1-CB 3.22Å; D479-N481 PolarHBondContact OD1-N 2.93Å; D479-A482 HydrophobicContact CB-CB 3.7Å; D479-A482 PolarHBondContact O-N 3.22Å; D479-A482 PolarHBondContact OD1-N 3.43Å; D479-E483 WeakPolarHBondContact O-CB 3.23Å; D479-E483 PolarHBondContact O-N 2.96Å
480	V	74.6	Confident	76.3	Confident	69 Å²	69	72.4 Å²	72.4	42%	0.418	39%	0.394	S	S	.	.	H	α-helix	trans	-62.2	-29.2	-178.8	-170.9	0	0	0	0	111.5	L473 L478 A484	L473-V480 HydrophobicContact CD2-CG2 4.11Å; L478-V480 PolarHBondContact O-N 2.87Å; V480-A484 WeakPolarHBondContact O-CB 3.34Å; V480-A484 PolarHBondContact O-N 2.91Å
481	N	70.3	Confident	76.3	Confident	132 Å²	132	73.8 Å²	73.8	71%	0.706	40%	0.4	S	S	*	.	H	α-helix	trans	-78.7	-40.5	178.9	-65.3	-30.5	0	0	0	111.2	D479 E483 A484 A485	D479-N481 PolarHBondContact O-N 3.3Å; D479-N481 WeakPolarHBondContact OD1-CB 3.22Å; D479-N481 PolarHBondContact OD1-N 2.93Å; N481-E483 VanDerWaalsContact C-N 3.35Å; N481-A484 PolarHBondContact O-N 3.42Å; N481-A485 WeakPolarHBondContact O-CB 3.36Å; N481-A485 PolarHBondContact O-N 3.27Å
482	A	69.7	Low	76.5	Confident	32 Å²	32	74.3 Å²	74.3	26%	0.264	41%	0.41	S	S	.	.	H	α-helix	trans	-67.3	-37.8	173.4	0	0	0	0	0	111.5	D479 A485 E486	D479-A482 HydrophobicContact CB-CB 3.7Å; D479-A482 PolarHBondContact O-N 3.22Å; D479-A482 PolarHBondContact OD1-N 3.43Å; A482-A485 PolarHBondContact O-N 2.88Å; A482-E486 WeakPolarHBondContact O-CB 3.08Å; A482-E486 WeakPolarHBondContact O-CG 3.37Å; A482-E486 PolarHBondContact O-N 3.07Å
483	E	71.6	Confident	76.7	Confident	15 Å²	15	77.5 Å²	77.5	7%	0.07	43%	0.43	C	S	.	.	H	α-helix	trans	-58.9	-49.3	172.5	-175.7	-176.9	-164.6	0	0	110.7	K422 R469 L478 D479 N481 A485 E486 I487	K422-E483 HydrophobicContact CB-CG 4.23Å; R469-E483 IonicContact CZ-OE1 2.94Å; R469-E483 IonicContact CZ-OE2 3.33Å; R469-E483 IonicContact NE-OE1 3.15Å; R469-E483 PolarHBondContact NE-OE1 3.41Å; R469-E483 IonicContact NE-OE2 2.62Å; R469-E483 PolarHBondContact NE-OE2 3.38Å; R469-E483 IonicContact NH1-OE1 3.96Å; R469-E483 VanDerWaalsContact NH2-CD 3.29Å; R469-E483 IonicContact NH2-OE1 3.56Å; R469-E483 PolarHBondContact NH2-OE1 3.05Å; R469-E483 IonicContact NH2-OE2 3.32Å; R469-E483 PolarHBondContact NH2-OE2 2.67Å; L478-E483 WeakPolarHBondContact CD2-OE2 3.49Å; D479-E483 WeakPolarHBondContact O-CB 3.23Å; D479-E483 PolarHBondContact O-N 2.96Å; N481-E483 VanDerWaalsContact C-N 3.35Å; E483-A485 VanDerWaalsContact C-N 3.33Å; E483-A485 PolarHBondContact O-N 3.19Å; E483-E486 PolarHBondContact O-N 3.42Å; E483-I487 HydrophobicContact CG-CD1 3.9Å; E483-I487 WeakPolarHBondContact O-CB 3.41Å; E483-I487 WeakPolarHBondContact O-CD1 3.41Å; E483-I487 WeakPolarHBondContact O-CG1 3.45Å; E483-I487 PolarHBondContact O-N 2.81Å
484	A	72.1	Confident	76.9	Confident	56 Å²	56	77.9 Å²	77.9	46%	0.463	43%	0.43	S	S	.	.	H	α-helix	trans	-62.9	-38	176.7	0	0	0	0	0	112.6	V480 N481 A488	V480-A484 WeakPolarHBondContact O-CB 3.34Å; V480-A484 PolarHBondContact O-N 2.91Å; N481-A484 PolarHBondContact O-N 3.42Å; A484-A488 VanDerWaalsContact O-CB 3.27Å; A484-A488 WeakPolarHBondContact O-CB 3.31Å; A484-A488 PolarHBondContact O-N 3.46Å
485	A	73.2	Confident	77.1	Confident	59 Å²	59	74 Å²	74	49%	0.488	42%	0.422	S	S	.	.	H	α-helix	trans	-68.3	-40.7	176.7	0	0	0	0	0	112.5	N481 A482 E483 A488 L489	N481-A485 WeakPolarHBondContact O-CB 3.36Å; N481-A485 PolarHBondContact O-N 3.27Å; A482-A485 PolarHBondContact O-N 2.88Å; E483-A485 VanDerWaalsContact C-N 3.33Å; E483-A485 PolarHBondContact O-N 3.19Å; A485-A488 PolarHBondContact O-N 2.82Å; A485-L489 VanDerWaalsContact O-CB 3.28Å; A485-L489 WeakPolarHBondContact O-CB 3.48Å; A485-L489 PolarHBondContact O-N 3.42Å
486	E	74.1	Confident	77.8	Confident	92 Å²	92	79 Å²	79	43%	0.43	44%	0.436	S	S	.	.	H	α-helix	trans	-66.8	-40.5	175.4	-77.5	-179	170.7	0	0	111.6	K422 G423 A482 E483 L489 Q490	K422-E486 WeakPolarHBondContact CA-OE2 3.47Å; K422-E486 WeakPolarHBondContact CB-OE2 3.26Å; G423-E486 PolarHBondContact N-OE2 3.34Å; A482-E486 WeakPolarHBondContact O-CB 3.08Å; A482-E486 WeakPolarHBondContact O-CG 3.37Å; A482-E486 PolarHBondContact O-N 3.07Å; E483-E486 PolarHBondContact O-N 3.42Å; E486-L489 PolarHBondContact O-N 2.77Å; E486-Q490 WeakPolarHBondContact O-CB 3.4Å; E486-Q490 PolarHBondContact O-N 2.94Å
487	I	76.8	Confident	78.3	Confident	61 Å²	61	77.4 Å²	77.4	31%	0.313	43%	0.427	S	S	.	.	H	α-helix	trans	-63	-48.6	174.3	-68.5	166.3	0	0	0	110.2	K422 E483 L489 Q490 E491	K422-I487 HydrophobicContact CD-CG1 3.94Å; E483-I487 HydrophobicContact CG-CD1 3.9Å; E483-I487 WeakPolarHBondContact O-CB 3.41Å; E483-I487 WeakPolarHBondContact O-CD1 3.41Å; E483-I487 WeakPolarHBondContact O-CG1 3.45Å; E483-I487 PolarHBondContact O-N 2.81Å; I487-L489 VanDerWaalsContact C-N 3.32Å; I487-L489 PolarHBondContact O-N 2.72Å; I487-Q490 PolarHBondContact O-N 2.82Å; I487-Q490 VanDerWaalsContact O-N 3.1Å; I487-E491 PolarHBondContact O-N 3.3Å
488	A	77.4	Confident	78.9	Confident	53 Å²	53	80.7 Å²	80.7	44%	0.438	44%	0.441	S	S	.	.	H	α-helix	trans	-62.6	-38.8	178.4	0	0	0	0	0	112.4	A484 A485 Q490 A492	A484-A488 VanDerWaalsContact O-CB 3.27Å; A484-A488 WeakPolarHBondContact O-CB 3.31Å; A484-A488 PolarHBondContact O-N 3.46Å; A485-A488 PolarHBondContact O-N 2.82Å; A488-Q490 VanDerWaalsContact C-N 3.31Å; A488-Q490 PolarHBondContact O-N 2.62Å; A488-A492 VanDerWaalsContact O-CB 3.27Å; A488-A492 WeakPolarHBondContact O-CB 3.33Å; A488-A492 PolarHBondContact O-N 3.46Å
489	L	80.4	Confident	79.4	Confident	115 Å²	115	81.8 Å²	81.8	60%	0.602	46%	0.456	S	S	*	.	H	α-helix	trans	-63.5	-39.8	174.2	-178.4	64.9	0	0	0	111.1	A485 E486 I487 A492 T493	A485-L489 VanDerWaalsContact O-CB 3.28Å; A485-L489 WeakPolarHBondContact O-CB 3.48Å; A485-L489 PolarHBondContact O-N 3.42Å; E486-L489 PolarHBondContact O-N 2.77Å; I487-L489 VanDerWaalsContact C-N 3.32Å; I487-L489 PolarHBondContact O-N 2.72Å; L489-A492 PolarHBondContact O-N 3.27Å; L489-T493 WeakPolarHBondContact O-CG2 3.39Å; L489-T493 PolarHBondContact O-N 2.93Å; L489-T493 PolarHBondContact O-OG1 3.48Å
490	Q	79.3	Confident	79.9	Confident	98 Å²	98	83.7 Å²	83.7	46%	0.458	47%	0.466	S	S	.	.	H	α-helix	trans	-72.6	-38.2	-179.7	-162.2	169.6	-4.4	0	0	112.5	E486 I487 A488 A492 T493 E494	E486-Q490 WeakPolarHBondContact O-CB 3.4Å; E486-Q490 PolarHBondContact O-N 2.94Å; I487-Q490 PolarHBondContact O-N 2.82Å; I487-Q490 VanDerWaalsContact O-N 3.1Å; A488-Q490 VanDerWaalsContact C-N 3.31Å; A488-Q490 PolarHBondContact O-N 2.62Å; Q490-A492 VanDerWaalsContact C-N 3.3Å; Q490-A492 PolarHBondContact O-N 2.86Å; Q490-T493 WeakPolarHBondContact CA-OG1 3.04Å; Q490-T493 PolarHBondContact O-N 3.31Å; Q490-T493 PolarHBondContact O-OG1 3.22Å; Q490-E494 WeakPolarHBondContact O-CB 3.37Å; Q490-E494 PolarHBondContact O-N 3.43Å
491	E	82.4	Confident	80.6	Confident	127 Å²	127	85 Å²	85	59%	0.593	47%	0.47	S	S	*	.	H	α-helix	trans	-63.8	-37.8	170.4	-72.7	179.5	173.2	0	0	111.3	I487 S495	I487-E491 PolarHBondContact O-N 3.3Å; E491-S495 WeakPolarHBondContact O-CB 3.4Å; E491-S495 PolarHBondContact O-N 3.44Å; E491-S495 PolarHBondContact O-OG 3.39Å
492	A	82.4	Confident	81.6	Confident	53 Å²	53	85.5 Å²	85.5	44%	0.438	47%	0.468	S	S	.	.	H	α-helix	trans	-67	-37.8	174.3	0	0	0	0	0	112.5	A488 L489 Q490 S495 R496	A488-A492 VanDerWaalsContact O-CB 3.27Å; A488-A492 WeakPolarHBondContact O-CB 3.33Å; A488-A492 PolarHBondContact O-N 3.46Å; L489-A492 PolarHBondContact O-N 3.27Å; Q490-A492 VanDerWaalsContact C-N 3.3Å; Q490-A492 PolarHBondContact O-N 2.86Å; A492-S495 WeakPolarHBondContact CA-OG 2.99Å; A492-S495 PolarHBondContact O-OG 2.97Å; A492-R496 VanDerWaalsContact O-CB 3.31Å; A492-R496 WeakPolarHBondContact O-CB 3.48Å; A492-R496 PolarHBondContact O-N 3.38Å; A492-R496 VanDerWaalsContact O-N 3.1Å
493	T	83.6	Confident	82.6	Confident	68 Å²	68	89.8 Å²	89.8	42%	0.417	48%	0.483	S	S	.	.	H	α-helix	trans	-72.8	-39.3	174.9	54.1	0	0	0	0	111.8	L489 Q490 R496 L497	L489-T493 WeakPolarHBondContact O-CG2 3.39Å; L489-T493 PolarHBondContact O-N 2.93Å; L489-T493 PolarHBondContact O-OG1 3.48Å; Q490-T493 WeakPolarHBondContact CA-OG1 3.04Å; Q490-T493 PolarHBondContact O-N 3.31Å; Q490-T493 PolarHBondContact O-OG1 3.22Å; T493-R496 WeakPolarHBondContact O-CB 3.48Å; T493-R496 PolarHBondContact O-N 2.88Å; T493-L497 WeakPolarHBondContact O-CG 3.45Å; T493-L497 PolarHBondContact O-N 3.49Å
494	E	86.3	Confident	83.5	Confident	94 Å²	94	93.4 Å²	93.4	44%	0.439	50%	0.502	S	S	.	.	H	α-helix	trans	-66.5	-41.3	177.9	-161	-169.5	145.1	0	0	111.6	Q490 R496 L497 K498	Q490-E494 WeakPolarHBondContact O-CB 3.37Å; Q490-E494 PolarHBondContact O-N 3.43Å; E494-R496 VanDerWaalsContact C-N 3.32Å; E494-R496 PolarHBondContact O-N 3.17Å; E494-L497 PolarHBondContact O-N 3.09Å; E494-K498 WeakPolarHBondContact O-CG 3.27Å; E494-K498 PolarHBondContact O-N 2.9Å; E494-K498 WeakPolarHBondContact OE1-CE 3.12Å; E494-K498 IonicContact OE1-NZ 2.66Å; E494-K498 PolarHBondContact OE1-NZ 3.4Å
495	S	84.1	Confident	84.4	Confident	73 Å²	73	94.3 Å²	94.3	51%	0.51	50%	0.499	S	S	.	.	H	α-helix	trans	-64	-37.3	172.6	55.8	0	0	0	0	112.2	E491 A492 K498 G499	E491-S495 WeakPolarHBondContact O-CB 3.4Å; E491-S495 PolarHBondContact O-N 3.44Å; E491-S495 PolarHBondContact O-OG 3.39Å; A492-S495 WeakPolarHBondContact CA-OG 2.99Å; A492-S495 PolarHBondContact O-OG 2.97Å; S495-K498 PolarHBondContact O-N 2.88Å; S495-G499 PolarHBondContact O-N 3.09Å
496	R	87.5	Confident	85.3	Confident	190 Å²	190	95.2 Å²	95.2	72%	0.717	50%	0.496	S	S	*	.	H	α-helix	trans	-67.1	-38.2	174	-167.8	172.5	-174.3	164.2	1.1	112.4	A492 T493 E494 G499 L500	A492-R496 VanDerWaalsContact O-CB 3.31Å; A492-R496 WeakPolarHBondContact O-CB 3.48Å; A492-R496 PolarHBondContact O-N 3.38Å; A492-R496 VanDerWaalsContact O-N 3.1Å; T493-R496 WeakPolarHBondContact O-CB 3.48Å; T493-R496 PolarHBondContact O-N 2.88Å; E494-R496 VanDerWaalsContact C-N 3.32Å; E494-R496 PolarHBondContact O-N 3.17Å; R496-G499 PolarHBondContact O-N 3.42Å; R496-L500 PolarHBondContact O-N 3.01Å
497	L	87.6	Confident	86.1	Confident	112 Å²	112	95.2 Å²	95.2	59%	0.586	50%	0.498	S	S	*	.	H	α-helix	trans	-64.4	-46.4	173.8	-76.8	172.3	0	0	0	111.1	T493 E494 G499 L500 D501	T493-L497 WeakPolarHBondContact O-CG 3.45Å; T493-L497 PolarHBondContact O-N 3.49Å; E494-L497 PolarHBondContact O-N 3.09Å; L497-G499 VanDerWaalsContact C-N 3.27Å; L497-G499 PolarHBondContact O-N 3.47Å; L497-L500 PolarHBondContact O-N 3.3Å; L497-L500 VanDerWaalsContact O-N 3.14Å; L497-D501 WeakPolarHBondContact O-CB 3.44Å; L497-D501 PolarHBondContact O-N 3.45Å
498	K	88.6	Confident	86.8	Confident	127 Å²	127	98 Å²	98	55%	0.552	51%	0.51	S	S	*	.	H	α-helix	trans	-58.6	-39.5	173.6	-73.9	174.5	-175.3	160.5	0	112	E494 S495 D501 Q502	E494-K498 WeakPolarHBondContact O-CG 3.27Å; E494-K498 PolarHBondContact O-N 2.9Å; E494-K498 WeakPolarHBondContact OE1-CE 3.12Å; E494-K498 IonicContact OE1-NZ 2.66Å; E494-K498 PolarHBondContact OE1-NZ 3.4Å; S495-K498 PolarHBondContact O-N 2.88Å; K498-D501 PolarHBondContact O-N 3.2Å; K498-Q502 WeakPolarHBondContact O-CB 3.45Å; K498-Q502 PolarHBondContact O-N 2.91Å
499	G	88.8	Confident	87.4	Confident	36 Å²	36	99.8 Å²	99.8	37%	0.371	52%	0.515	S	S	.	.	H	α-helix	trans	-63.9	-41.3	174.8	0	0	0	0	0	113.3	S495 R496 L497 Q503	S495-G499 PolarHBondContact O-N 3.09Å; R496-G499 PolarHBondContact O-N 3.42Å; L497-G499 VanDerWaalsContact C-N 3.27Å; L497-G499 PolarHBondContact O-N 3.47Å; G499-Q503 WeakPolarHBondContact O-CG 3.47Å; G499-Q503 PolarHBondContact O-N 3.16Å; G499-Q503 VanDerWaalsContact O-N 3.11Å
500	L	87.8	Confident	87.9	Confident	96 Å²	96	99.5 Å²	99.5	50%	0.503	51%	0.51	S	S	.	.	H	α-helix	trans	-66.4	-39.9	174.7	-79.2	165.9	0	0	0	112	R496 L497 Q503 L504	R496-L500 PolarHBondContact O-N 3.01Å; L497-L500 PolarHBondContact O-N 3.3Å; L497-L500 VanDerWaalsContact O-N 3.14Å; L500-Q503 WeakPolarHBondContact O-CB 3.21Å; L500-Q503 PolarHBondContact O-N 3.1Å; L500-L504 WeakPolarHBondContact O-CB 3.36Å; L500-L504 PolarHBondContact O-N 3.29Å
501	D	89.5	Confident	88.3	Confident	96 Å²	96	101.2 Å²	101.2	51%	0.513	52%	0.516	S	S	.	.	H	α-helix	trans	-63	-45	177.9	-147.1	28.5	0	0	0	110.6	L497 K498 Q503 L504 D505	L497-D501 WeakPolarHBondContact O-CB 3.44Å; L497-D501 PolarHBondContact O-N 3.45Å; K498-D501 PolarHBondContact O-N 3.2Å; D501-Q503 VanDerWaalsContact C-N 3.3Å; D501-Q503 PolarHBondContact O-N 3.28Å; D501-L504 WeakPolarHBondContact O-CB 3.44Å; D501-L504 PolarHBondContact O-N 3.07Å; D501-L504 VanDerWaalsContact O-N 3.12Å; D501-D505 PolarHBondContact O-N 2.9Å
502	Q	90.8	Very high	88.5	Confident	142 Å²	142	98 Å²	98	66%	0.664	51%	0.511	S	S	*	.	H	α-helix	trans	-60.1	-37.7	173.9	-161.8	87.5	55.8	0	0	112.7	K498 D506	K498-Q502 WeakPolarHBondContact O-CB 3.45Å; K498-Q502 PolarHBondContact O-N 2.91Å; Q502-D506 PolarHBondContact O-N 2.72Å; Q502-D506 VanDerWaalsContact O-N 3.09Å
503	Q	91	Very high	88.8	Confident	123 Å²	123	104.4 Å²	104.4	58%	0.575	52%	0.524	S	S	*	.	H	α-helix	trans	-70.6	-37.1	175.8	-75.7	-179	-22.2	0	0	112.2	G499 L500 D501 D506 L507	G499-Q503 WeakPolarHBondContact O-CG 3.47Å; G499-Q503 PolarHBondContact O-N 3.16Å; G499-Q503 VanDerWaalsContact O-N 3.11Å; L500-Q503 WeakPolarHBondContact O-CB 3.21Å; L500-Q503 PolarHBondContact O-N 3.1Å; D501-Q503 VanDerWaalsContact C-N 3.3Å; D501-Q503 PolarHBondContact O-N 3.28Å; Q503-D506 PolarHBondContact O-N 3.11Å; Q503-L507 WeakPolarHBondContact O-CB 3.49Å; Q503-L507 WeakPolarHBondContact O-CG 3.46Å; Q503-L507 PolarHBondContact O-N 3.13Å
504	L	90.6	Very high	89.1	Confident	90 Å²	90	106 Å²	106	47%	0.471	53%	0.529	S	S	.	.	H	α-helix	trans	-63.9	-44.3	175.4	-174.1	66.6	0	0	0	110.5	L500 D501 D506 L507 Q508	L500-L504 WeakPolarHBondContact O-CB 3.36Å; L500-L504 PolarHBondContact O-N 3.29Å; D501-L504 WeakPolarHBondContact O-CB 3.44Å; D501-L504 PolarHBondContact O-N 3.07Å; D501-L504 VanDerWaalsContact O-N 3.12Å; L504-D506 PolarHBondContact O-N 2.82Å; L504-L507 PolarHBondContact O-N 2.96Å; L504-Q508 WeakPolarHBondContact O-CG 3.33Å; L504-Q508 PolarHBondContact O-N 3.41Å
505	D	91.3	Very high	89.1	Confident	75 Å²	75	106.6 Å²	106.6	40%	0.401	54%	0.535	S	S	.	.	H	α-helix	trans	-60	-44.7	174.6	-79.2	-12.5	0	0	0	111.9	D501 L507 Q508 T509	D501-D505 PolarHBondContact O-N 2.9Å; D505-L507 PolarHBondContact O-N 2.95Å; D505-Q508 PolarHBondContact O-N 3.38Å; D505-T509 WeakPolarHBondContact O-CB 3.3Å; D505-T509 PolarHBondContact O-N 3.49Å; D505-T509 PolarHBondContact O-OG1 2.69Å
506	D	90.4	Very high	89.3	Confident	79 Å²	79	105.7 Å²	105.7	42%	0.422	53%	0.532	S	S	.	.	H	α-helix	trans	-64.7	-39.4	178	-173.4	47.3	0	0	0	111.8	Q502 Q503 L504 T509 K510	Q502-D506 PolarHBondContact O-N 2.72Å; Q502-D506 VanDerWaalsContact O-N 3.09Å; Q503-D506 PolarHBondContact O-N 3.11Å; L504-D506 PolarHBondContact O-N 2.82Å; D506-T509 PolarHBondContact O-N 3.26Å; D506-K510 WeakPolarHBondContact O-CB 3.31Å; D506-K510 VanDerWaalsContact O-CG 3.32Å; D506-K510 WeakPolarHBondContact O-CG 3.48Å; D506-K510 PolarHBondContact O-N 2.89Å; D506-K510 IonicContact OD1-NZ 3.13Å; D506-K510 VanDerWaalsContact OD2-CE 3.29Å; D506-K510 WeakPolarHBondContact OD2-CE 3.31Å; D506-K510 IonicContact OD2-NZ 2.68Å; D506-K510 PolarHBondContact OD2-NZ 3.45Å
507	L	90.7	Very high	89.3	Confident	91 Å²	91	102.2 Å²	102.2	48%	0.476	52%	0.524	S	S	.	.	H	α-helix	trans	-65.4	-45	173.6	-78	171.8	0	0	0	112	Q503 L504 D505 T509 K510 F511	Q503-L507 WeakPolarHBondContact O-CB 3.49Å; Q503-L507 WeakPolarHBondContact O-CG 3.46Å; Q503-L507 PolarHBondContact O-N 3.13Å; L504-L507 PolarHBondContact O-N 2.96Å; D505-L507 PolarHBondContact O-N 2.95Å; L507-T509 VanDerWaalsContact C-N 3.27Å; L507-T509 PolarHBondContact O-N 3.38Å; L507-K510 PolarHBondContact O-N 3.26Å; L507-F511 WeakPolarHBondContact O-CB 3.48Å; L507-F511 WeakPolarHBondContact O-CD2 3.47Å; L507-F511 PolarHBondContact O-N 2.9Å
508	Q	91.9	Very high	89.4	Confident	119 Å²	119	102.4 Å²	102.4	56%	0.556	53%	0.525	S	S	*	.	H	α-helix	trans	-58.5	-42.3	174.9	-78.2	-174.2	-4.6	0	0	111.2	L504 D505 F511 A512	L504-Q508 WeakPolarHBondContact O-CG 3.33Å; L504-Q508 PolarHBondContact O-N 3.41Å; D505-Q508 PolarHBondContact O-N 3.38Å; Q508-F511 PolarHBondContact O-N 2.87Å; Q508-A512 WeakPolarHBondContact O-CB 3.48Å; Q508-A512 PolarHBondContact O-N 3.02Å
509	T	90.5	Very high	89.4	Confident	91 Å²	91	102.8 Å²	102.8	56%	0.558	53%	0.529	S	S	*	.	H	α-helix	trans	-64.7	-41.4	177.8	-47	0	0	0	0	111.5	D505 D506 L507 A512 R513	D505-T509 WeakPolarHBondContact O-CB 3.3Å; D505-T509 PolarHBondContact O-N 3.49Å; D505-T509 PolarHBondContact O-OG1 2.69Å; D506-T509 PolarHBondContact O-N 3.26Å; L507-T509 VanDerWaalsContact C-N 3.27Å; L507-T509 PolarHBondContact O-N 3.38Å; T509-A512 PolarHBondContact O-N 2.85Å; T509-R513 WeakPolarHBondContact O-CB 3.27Å; T509-R513 PolarHBondContact O-N 3.26Å
510	K	90.6	Very high	89.2	Confident	110 Å²	110	103.4 Å²	103.4	48%	0.478	53%	0.527	S	S	.	.	H	α-helix	trans	-65.1	-42.5	174.7	-76	166.8	177.9	163	0	112.4	D506 L507 R513 L514	D506-K510 WeakPolarHBondContact O-CB 3.31Å; D506-K510 VanDerWaalsContact O-CG 3.32Å; D506-K510 WeakPolarHBondContact O-CG 3.48Å; D506-K510 PolarHBondContact O-N 2.89Å; D506-K510 IonicContact OD1-NZ 3.13Å; D506-K510 VanDerWaalsContact OD2-CE 3.29Å; D506-K510 WeakPolarHBondContact OD2-CE 3.31Å; D506-K510 IonicContact OD2-NZ 2.68Å; D506-K510 PolarHBondContact OD2-NZ 3.45Å; L507-K510 PolarHBondContact O-N 3.26Å; K510-R513 PolarHBondContact O-N 3.37Å; K510-L514 PolarHBondContact O-N 2.99Å
511	F	87.4	Confident	89.1	Confident	134 Å²	134	101.2 Å²	101.2	59%	0.588	52%	0.52	S	S	*	.	H	α-helix	trans	-62.6	-44	175.2	-93.9	-72.2	0	0	0	111.9	L507 Q508 R513 L514 L515	L507-F511 WeakPolarHBondContact O-CB 3.48Å; L507-F511 WeakPolarHBondContact O-CD2 3.47Å; L507-F511 PolarHBondContact O-N 2.9Å; Q508-F511 PolarHBondContact O-N 2.87Å; F511-R513 VanDerWaalsContact C-N 3.27Å; F511-R513 PolarHBondContact O-N 3.37Å; F511-L514 PolarHBondContact O-N 3.23Å; F511-L515 WeakPolarHBondContact O-CB 3.38Å; F511-L515 WeakPolarHBondContact O-CG 3.38Å; F511-L515 PolarHBondContact O-N 3.04Å
512	A	86.9	Confident	88.8	Confident	60 Å²	60	99.1 Å²	99.1	50%	0.496	52%	0.516	S	S	.	.	H	α-helix	trans	-59.9	-39.3	175.1	0	0	0	0	0	111.8	Q508 T509 A516	Q508-A512 WeakPolarHBondContact O-CB 3.48Å; Q508-A512 PolarHBondContact O-N 3.02Å; T509-A512 PolarHBondContact O-N 2.85Å; A512-A516 WeakPolarHBondContact O-CB 3.26Å; A512-A516 PolarHBondContact O-N 3Å
513	R	88.9	Confident	88.4	Confident	187 Å²	187	98.3 Å²	98.3	71%	0.706	52%	0.516	S	S	*	.	H	α-helix	trans	-68	-42.5	177.4	-151.1	176.1	-163	155.4	3.8	112.6	T509 K510 F511 A516 E517	T509-R513 WeakPolarHBondContact O-CB 3.27Å; T509-R513 PolarHBondContact O-N 3.26Å; K510-R513 PolarHBondContact O-N 3.37Å; F511-R513 VanDerWaalsContact C-N 3.27Å; F511-R513 PolarHBondContact O-N 3.37Å; R513-A516 PolarHBondContact O-N 3.33Å; R513-E517 PolarHBondContact O-N 3.22Å
514	L	89.1	Confident	88.2	Confident	102 Å²	102	99.5 Å²	99.5	53%	0.534	52%	0.519	S	S	.	.	H	α-helix	trans	-64.6	-41.9	175.1	-78.1	170.1	0	0	0	111.8	K510 F511 E517 L518	K510-L514 PolarHBondContact O-N 2.99Å; F511-L514 PolarHBondContact O-N 3.23Å; L514-E517 PolarHBondContact O-N 3.28Å; L514-L518 VanDerWaalsContact O-CB 3.31Å; L514-L518 WeakPolarHBondContact O-CB 3.24Å; L514-L518 PolarHBondContact O-N 2.94Å
515	L	88.3	Confident	87.9	Confident	105 Å²	105	100 Å²	100	55%	0.55	52%	0.521	S	S	.	.	H	α-helix	trans	-60.5	-44.9	174.8	-77.6	171	0	0	0	111.4	F511 E517 L518 E519	F511-L515 WeakPolarHBondContact O-CB 3.38Å; F511-L515 WeakPolarHBondContact O-CG 3.38Å; F511-L515 PolarHBondContact O-N 3.04Å; L515-E517 PolarHBondContact O-N 3.32Å; L515-L518 PolarHBondContact O-N 3.36Å; L515-E519 WeakPolarHBondContact O-CB 3.45Å; L515-E519 WeakPolarHBondContact O-CG 3.23Å; L515-E519 PolarHBondContact O-N 3.09Å
516	A	86.6	Confident	87.3	Confident	55 Å²	55	98.9 Å²	98.9	46%	0.455	52%	0.522	S	S	.	.	H	α-helix	trans	-63	-39.6	175.9	0	0	0	0	0	112.6	A512 R513 S520	A512-A516 WeakPolarHBondContact O-CB 3.26Å; A512-A516 PolarHBondContact O-N 3Å; R513-A516 PolarHBondContact O-N 3.33Å; A516-S520 WeakPolarHBondContact O-CB 3.32Å; A516-S520 PolarHBondContact O-N 3.29Å
517	E	88.8	Confident	87	Confident	116 Å²	116	102.5 Å²	102.5	54%	0.542	53%	0.531	S	S	.	.	H	α-helix	trans	-64.3	-42.3	173.9	-80.6	-177.7	-179.4	0	0	111.7	R513 L514 L515 S520 S521	R513-E517 PolarHBondContact O-N 3.22Å; L514-E517 PolarHBondContact O-N 3.28Å; L515-E517 PolarHBondContact O-N 3.32Å; E517-S520 PolarHBondContact O-N 2.99Å; E517-S520 PolarHBondContact O-OG 3.11Å; E517-S521 WeakPolarHBondContact O-CB 3.43Å; E517-S521 PolarHBondContact O-N 3.12Å
518	L	89	Confident	86.5	Confident	117 Å²	117	107 Å²	107	61%	0.613	54%	0.542	S	S	*	.	H	α-helix	trans	-66.3	-44.9	-179.6	-147.1	151.1	0	0	0	110.9	L514 L515 S520 S521 A522	L514-L518 VanDerWaalsContact O-CB 3.31Å; L514-L518 WeakPolarHBondContact O-CB 3.24Å; L514-L518 PolarHBondContact O-N 2.94Å; L515-L518 PolarHBondContact O-N 3.36Å; L518-S520 PolarHBondContact O-N 2.72Å; L518-S521 WeakPolarHBondContact CA-OG 3.44Å; L518-S521 PolarHBondContact O-N 3.35Å; L518-S521 PolarHBondContact O-OG 3.28Å; L518-A522 WeakPolarHBondContact O-CB 3.16Å; L518-A522 PolarHBondContact O-N 3.38Å
519	E	88.6	Confident	86	Confident	135 Å²	135	105.5 Å²	105.5	63%	0.631	54%	0.537	S	S	*	.	H	α-helix	trans	-59.4	-43.9	171.4	-76	-178.1	173.7	0	0	111.9	L515 S521 A522 L523	L515-E519 WeakPolarHBondContact O-CB 3.45Å; L515-E519 WeakPolarHBondContact O-CG 3.23Å; L515-E519 PolarHBondContact O-N 3.09Å; E519-S521 VanDerWaalsContact C-N 3.3Å; E519-S521 PolarHBondContact O-N 2.99Å; E519-A522 PolarHBondContact O-N 3.45Å; E519-L523 WeakPolarHBondContact O-CB 3.4Å; E519-L523 WeakPolarHBondContact O-CG 3.21Å; E519-L523 PolarHBondContact O-N 3.49Å
520	S	84.9	Confident	85.5	Confident	49 Å²	49	107 Å²	107	34%	0.343	54%	0.537	S	S	.	.	H	α-helix	trans	-64.8	-35.5	177.2	84.6	0	0	0	0	112.5	A516 E517 L518 K524	A516-S520 WeakPolarHBondContact O-CB 3.32Å; A516-S520 PolarHBondContact O-N 3.29Å; E517-S520 PolarHBondContact O-N 2.99Å; E517-S520 PolarHBondContact O-OG 3.11Å; L518-S520 PolarHBondContact O-N 2.72Å; S520-K524 WeakPolarHBondContact O-CB 3.31Å; S520-K524 VanDerWaalsContact O-CG 3.32Å; S520-K524 WeakPolarHBondContact O-CG 3.41Å; S520-K524 PolarHBondContact O-N 3.48Å
521	S	85.2	Confident	84.9	Confident	50 Å²	50	108.9 Å²	108.9	35%	0.35	54%	0.541	S	S	.	.	H	α-helix	trans	-71.7	-41.6	177.7	77.1	0	0	0	0	111	E517 L518 E519 K524 I525	E517-S521 WeakPolarHBondContact O-CB 3.43Å; E517-S521 PolarHBondContact O-N 3.12Å; L518-S521 WeakPolarHBondContact CA-OG 3.44Å; L518-S521 PolarHBondContact O-N 3.35Å; L518-S521 PolarHBondContact O-OG 3.28Å; E519-S521 VanDerWaalsContact C-N 3.3Å; E519-S521 PolarHBondContact O-N 2.99Å; S521-K524 PolarHBondContact O-N 3Å; S521-I525 VanDerWaalsContact O-CG1 3.26Å; S521-I525 WeakPolarHBondContact O-CG1 3.48Å; S521-I525 PolarHBondContact O-N 3.48Å
522	A	83.1	Confident	84.2	Confident	52 Å²	52	107.2 Å²	107.2	43%	0.43	54%	0.538	S	S	.	.	H	α-helix	trans	-61.9	-44.3	174.3	0	0	0	0	0	111.1	L518 E519 I525 A526	L518-A522 WeakPolarHBondContact O-CB 3.16Å; L518-A522 PolarHBondContact O-N 3.38Å; E519-A522 PolarHBondContact O-N 3.45Å; A522-I525 PolarHBondContact O-N 2.98Å; A522-A526 WeakPolarHBondContact O-CB 3.46Å; A522-A526 PolarHBondContact O-N 2.89Å
523	L	83.7	Confident	83.6	Confident	125 Å²	125	110.1 Å²	110.1	65%	0.654	54%	0.541	S	S	*	.	H	α-helix	trans	-61.5	-42.9	174	-82	166.3	0	0	0	112.5	E519 A526 Y527	E519-L523 WeakPolarHBondContact O-CB 3.4Å; E519-L523 WeakPolarHBondContact O-CG 3.21Å; E519-L523 PolarHBondContact O-N 3.49Å; L523-A526 PolarHBondContact O-N 2.82Å; L523-Y527 WeakPolarHBondContact O-CB 3.22Å; L523-Y527 PolarHBondContact O-N 2.92Å
524	K	86.3	Confident	82.6	Confident	147 Å²	147	109.1 Å²	109.1	64%	0.639	54%	0.538	S	S	*	.	H	α-helix	trans	-64.4	-39.7	175.9	-78.8	171.8	-176.8	168.1	0	112.2	S520 S521 R528	S520-K524 WeakPolarHBondContact O-CB 3.31Å; S520-K524 VanDerWaalsContact O-CG 3.32Å; S520-K524 WeakPolarHBondContact O-CG 3.41Å; S520-K524 PolarHBondContact O-N 3.48Å; S521-K524 PolarHBondContact O-N 3Å; K524-R528 WeakPolarHBondContact O-CB 3.47Å; K524-R528 PolarHBondContact O-N 3.25Å
525	I	83.4	Confident	81.5	Confident	100 Å²	100	109.2 Å²	109.2	51%	0.513	54%	0.535	S	S	.	.	H	α-helix	trans	-65.9	-46.3	176.1	-69.7	165.2	0	0	0	109.8	S521 A522 Y527 R528 I529	S521-I525 VanDerWaalsContact O-CG1 3.26Å; S521-I525 WeakPolarHBondContact O-CG1 3.48Å; S521-I525 PolarHBondContact O-N 3.48Å; A522-I525 PolarHBondContact O-N 2.98Å; I525-Y527 VanDerWaalsContact C-N 3.34Å; I525-Y527 PolarHBondContact O-N 3.07Å; I525-R528 WeakPolarHBondContact O-CA 3.47Å; I525-R528 WeakPolarHBondContact O-CB 3.32Å; I525-R528 PolarHBondContact O-N 2.86Å; I525-I529 HydrophobicContact CG2-CD1 3.8Å; I525-I529 HydrophobicContact CG2-CG1 4.35Å; I525-I529 WeakPolarHBondContact O-CG1 3.15Å; I525-I529 PolarHBondContact O-N 2.9Å
526	A	80.1	Confident	80.2	Confident	52 Å²	52	109.3 Å²	109.3	43%	0.43	54%	0.54	S	S	.	.	H	α-helix	trans	-57	-46.2	176	0	0	0	0	0	111.7	A522 L523 R528 I529 E530	A522-A526 WeakPolarHBondContact O-CB 3.46Å; A522-A526 PolarHBondContact O-N 2.89Å; L523-A526 PolarHBondContact O-N 2.82Å; A526-R528 VanDerWaalsContact C-N 3.3Å; A526-R528 PolarHBondContact O-N 2.72Å; A526-I529 PolarHBondContact O-N 3.1Å; A526-E530 WeakPolarHBondContact O-CB 3.38Å; A526-E530 PolarHBondContact O-N 2.88Å
527	Y	82.1	Confident	78.8	Confident	156 Å²	156	117.3 Å²	117.3	61%	0.612	56%	0.559	S	S	*	*	H	α-helix	trans	-63.3	-35.2	175.1	-176.1	-102	0	0	0	112.9	L523 I525 R531	L523-Y527 WeakPolarHBondContact O-CB 3.22Å; L523-Y527 PolarHBondContact O-N 2.92Å; I525-Y527 VanDerWaalsContact C-N 3.34Å; I525-Y527 PolarHBondContact O-N 3.07Å; Y527-R531 VanDerWaalsContact O-CB 3.29Å; Y527-R531 WeakPolarHBondContact O-CB 3.33Å; Y527-R531 PolarHBondContact O-N 3.09Å
528	R	82	Confident	77	Confident	186 Å²	186	118.2 Å²	118.2	70%	0.702	56%	0.563	S	S	*	*	H	α-helix	trans	-69.5	-38.5	176.4	-132.9	170.4	-177.9	171.6	-1.5	111.7	K524 I525 A526 L532	K524-R528 WeakPolarHBondContact O-CB 3.47Å; K524-R528 PolarHBondContact O-N 3.25Å; I525-R528 WeakPolarHBondContact O-CA 3.47Å; I525-R528 WeakPolarHBondContact O-CB 3.32Å; I525-R528 PolarHBondContact O-N 2.86Å; A526-R528 VanDerWaalsContact C-N 3.3Å; A526-R528 PolarHBondContact O-N 2.72Å; R528-L532 WeakPolarHBondContact O-CB 3.44Å; R528-L532 VanDerWaalsContact O-CG 3.27Å; R528-L532 WeakPolarHBondContact O-CG 3.46Å; R528-L532 PolarHBondContact O-N 2.96Å
529	I	80.2	Confident	74.9	Confident	87 Å²	87	122.3 Å²	122.3	45%	0.446	57%	0.571	S	S	.	*	H	α-helix	trans	-63.8	-50	173.6	-68.3	167.9	0	0	0	109.4	I525 A526 R531 L532 E533	I525-I529 HydrophobicContact CG2-CD1 3.8Å; I525-I529 HydrophobicContact CG2-CG1 4.35Å; I525-I529 WeakPolarHBondContact O-CG1 3.15Å; I525-I529 PolarHBondContact O-N 2.9Å; A526-I529 PolarHBondContact O-N 3.1Å; I529-R531 VanDerWaalsContact C-N 3.31Å; I529-R531 PolarHBondContact O-N 2.72Å; I529-L532 CarbonylContact O-C 3.51Å; I529-L532 WeakPolarHBondContact O-CB 3.19Å; I529-L532 PolarHBondContact O-N 2.99Å; I529-L532 VanDerWaalsContact O-N 3.08Å; I529-E533 HydrophobicContact CG2-CG 4.38Å; I529-E533 WeakPolarHBondContact O-CG 3.47Å; I529-E533 PolarHBondContact O-N 3.17Å
530	E	80.6	Confident	72.6	Confident	123 Å²	123	120.9 Å²	120.9	58%	0.575	57%	0.573	S	S	*	*	H	α-helix	trans	-59.6	-41.3	178.3	-171.8	-179.3	-172.5	0	0	112	A526 E533 W534	A526-E530 WeakPolarHBondContact O-CB 3.38Å; A526-E530 PolarHBondContact O-N 2.88Å; E530-E533 PolarHBondContact O-N 2.92Å; E530-W534 WeakPolarHBondContact O-CB 3.32Å; E530-W534 PolarHBondContact O-N 3.28Å
531	R	77	Confident	70.4	Confident	148 Å²	148	126.7 Å²	126.7	56%	0.558	60%	0.597	S	S	*	*	H	α-helix	trans	-65.6	-40.1	174.5	-174.9	-178.7	131.8	171.7	-0.3	112.4	Y527 I529 W534 Q535	Y527-R531 VanDerWaalsContact O-CB 3.29Å; Y527-R531 WeakPolarHBondContact O-CB 3.33Å; Y527-R531 PolarHBondContact O-N 3.09Å; I529-R531 VanDerWaalsContact C-N 3.31Å; I529-R531 PolarHBondContact O-N 2.72Å; R531-W534 PolarHBondContact O-N 3.4Å; R531-Q535 WeakPolarHBondContact O-CG 3.31Å; R531-Q535 PolarHBondContact O-N 3.44Å; R531-Q535 VanDerWaalsContact O-N 3.08Å
532	L	73.5	Confident	68.2	Low	99 Å²	99	129.5 Å²	129.5	52%	0.518	61%	0.614	S	S	.	*	H	α-helix	trans	-65.2	-45	175.5	-78.6	167.3	0	0	0	110.4	R528 I529 W534 Q535 T536	R528-L532 WeakPolarHBondContact O-CB 3.44Å; R528-L532 VanDerWaalsContact O-CG 3.27Å; R528-L532 WeakPolarHBondContact O-CG 3.46Å; R528-L532 PolarHBondContact O-N 2.96Å; I529-L532 CarbonylContact O-C 3.51Å; I529-L532 WeakPolarHBondContact O-CB 3.19Å; I529-L532 PolarHBondContact O-N 2.99Å; I529-L532 VanDerWaalsContact O-N 3.08Å; L532-W534 VanDerWaalsContact C-N 3.26Å; L532-W534 PolarHBondContact O-N 3.38Å; L532-Q535 CarbonylContact O-C 3.55Å; L532-Q535 WeakPolarHBondContact O-CA 3.3Å; L532-Q535 WeakPolarHBondContact O-CB 3.44Å; L532-Q535 PolarHBondContact O-N 2.78Å; L532-T536 PolarHBondContact O-N 3.14Å; L532-T536 PolarHBondContact O-OG1 2.95Å
533	E	73.1	Confident	66.2	Low	122 Å²	122	135.8 Å²	135.8	57%	0.57	63%	0.634	S	S	*	*	H	α-helix	trans	-56.6	-39.2	174	-75.2	179.2	171.1	0	0	112.3	I529 E530 T536 R537	I529-E533 HydrophobicContact CG2-CG 4.38Å; I529-E533 WeakPolarHBondContact O-CG 3.47Å; I529-E533 PolarHBondContact O-N 3.17Å; E530-E533 PolarHBondContact O-N 2.92Å; E533-T536 PolarHBondContact O-N 3.18Å; E533-R537 WeakPolarHBondContact O-CB 3.45Å; E533-R537 PolarHBondContact O-N 2.93Å; E533-R537 VanDerWaalsContact O-N 3.09Å
534	W	69.9	Low	64	Low	166 Å²	166	136.7 Å²	136.7	63%	0.629	64%	0.64	S	S	*	*	H	α-helix	trans	-65.4	-40	174.9	-143.2	89	0	0	0	111.9	E530 R531 L532 R537 E538	E530-W534 WeakPolarHBondContact O-CB 3.32Å; E530-W534 PolarHBondContact O-N 3.28Å; R531-W534 PolarHBondContact O-N 3.4Å; L532-W534 VanDerWaalsContact C-N 3.26Å; L532-W534 PolarHBondContact O-N 3.38Å; W534-R537 PolarHBondContact O-N 3.06Å; W534-E538 HydrophobicContact CE3-CG 4.5Å; W534-E538 HydrophobicContact CZ3-CG 4.29Å; W534-E538 WeakPolarHBondContact CZ3-OE1 3.43Å
535	Q	65.3	Low	61.6	Low	104 Å²	104	136 Å²	136	49%	0.486	65%	0.647	S	S	.	*	H	α-helix	trans	-69.9	-33.8	176.2	-71.5	-175.5	-38	0	0	113	R531 L532 R537	R531-Q535 WeakPolarHBondContact O-CG 3.31Å; R531-Q535 PolarHBondContact O-N 3.44Å; R531-Q535 VanDerWaalsContact O-N 3.08Å; L532-Q535 CarbonylContact O-C 3.55Å; L532-Q535 WeakPolarHBondContact O-CA 3.3Å; L532-Q535 WeakPolarHBondContact O-CB 3.44Å; L532-Q535 PolarHBondContact O-N 2.78Å; Q535-R537 VanDerWaalsContact C-N 3.3Å
536	T	59.8	Low	59.2	Low	106 Å²	106	135.4 Å²	135.4	65%	0.65	66%	0.657	S	S	*	*	H	α-helix	trans	-72.5	-24.3	173.5	-2.5	0	0	0	0	112.5	L532 E533 E538	L532-T536 PolarHBondContact O-N 3.14Å; L532-T536 PolarHBondContact O-OG1 2.95Å; E533-T536 PolarHBondContact O-N 3.18Å; T536-E538 VanDerWaalsContact C-N 3.33Å
537	R	57.5	Low	56.9	Low	223 Å²	223	142.1 Å²	142.1	84%	0.842	68%	0.68	S	S	*	*	H	α-helix	trans	-74.7	-18.4	177.7	-120.8	176.1	176	172.3	-0.5	114.3	E533 W534 Q535	E533-R537 WeakPolarHBondContact O-CB 3.45Å; E533-R537 PolarHBondContact O-N 2.93Å; E533-R537 VanDerWaalsContact O-N 3.09Å; W534-R537 PolarHBondContact O-N 3.06Å; Q535-R537 VanDerWaalsContact C-N 3.3Å
538	E	51.8	Low	54.6	Low	136 Å²	136	138.9 Å²	138.9	64%	0.636	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	4.2	177.4	-70.2	-169.3	148	0	0	113.7	W534 T536 P540	W534-E538 HydrophobicContact CE3-CG 4.5Å; W534-E538 HydrophobicContact CZ3-CG 4.29Å; W534-E538 WeakPolarHBondContact CZ3-OE1 3.43Å; T536-E538 VanDerWaalsContact C-N 3.33Å; E538-P540 WeakPolarHBondContact O-CD 3.33Å
539	W	43.7	Very low	52.3	Low	203 Å²	203	137.3 Å²	137.3	77%	0.769	69%	0.691	S	S	*	*	S	Bend	trans	-87	115.6	175.4	-154	-87.3	0	0	0	110.8	M541	W539-M541 PolarHBondContact O-N 2.92Å
540	P	40.8	Very low	50.1	Low	105 Å²	105	141.1 Å²	141.1	68%	0.682	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-73.2	119	178	26.4	-25.6	0	0	0	109.4	E538 P542	E538-P540 WeakPolarHBondContact O-CD 3.33Å; P540-P542 WeakPolarHBondContact O-CD 3.4Å
541	M	39.3	Very low	47.9	Very low	171 Å²	171	143.9 Å²	143.9	84%	0.842	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-72.6	123.3	170.8	-77	-72.8	-69.8	0	0	110.1	W539	W539-M541 PolarHBondContact O-N 2.92Å
542	P	39.9	Very low	45.8	Very low	109 Å²	109	141 Å²	141	71%	0.708	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-83.2	140.6	162.1	-2.6	22.5	0	0	0	110.4	P540	P540-P542 WeakPolarHBondContact O-CD 3.4Å
543	E	40.8	Very low	44.2	Very low	183 Å²	183	144.8 Å²	144.8	86%	0.855	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-62.5	127.1	169.2	-66.2	173.1	146.5	0	0	110.6
544	D	35.9	Very low	43.1	Very low	144 Å²	144	144.1 Å²	144.1	77%	0.77	76%	0.755	S	S	*	*				163.2	127.3	123.1	-87.7	-22.7	0	0	0	113.8
545	V	35.9	Very low	41.4	Very low	132 Å²	132	140 Å²	140	80%	0.8	76%	0.764	S	S	*	*			trans	52.8	122.3	134.7	-166.9	0	0	0	0	121.6
546	A	33.8	Very low	40	Very low	88 Å²	88	144.5 Å²	144.5	73%	0.727	79%	0.785	S	S	*	*			trans	157.7	112	134.5	0	0	0	0	0	108.9
547	E	32.4	Very low	38.9	Very low	193 Å²	193	142.7 Å²	142.7	90%	0.902	79%	0.787	S	S	*	*				42.4	103	77.9	-82.8	-172.1	174.9	0	0	115
548	A	32.5	Very low	37.7	Very low	89 Å²	89	138.3 Å²	138.3	74%	0.736	79%	0.785	S	S	*	*				159.9	121.6	107.5	0	0	0	0	0	111.6
549	D	33.7	Very low	37	Very low	152 Å²	152	136.8 Å²	136.8	81%	0.813	79%	0.79	S	S	*	*			trans	35.1	122.3	138.9	-54.8	-20.2	0	0	0	120.4
550	D	33.9	Very low	36.6	Very low	167 Å²	167	135.4 Å²	135.4	89%	0.893	79%	0.789	S	S	*	*				-169.6	141.7	95.7	-113.1	-27.2	0	0	0	112.2
551	E	35.5	Very low	36.4	Very low	181 Å²	181	137.2 Å²	137.2	85%	0.846	79%	0.793	S	S	*	*			trans	-75.6	152.5	-177.3	-73.3	-176.5	144.7	0	0	113.7
552	A	33.6	Very low	36.2	Very low	89 Å²	89	132.9 Å²	132.9	74%	0.736	79%	0.792	S	S	*	*			trans	49.5	125.5	133	0	0	0	0	0	119
553	E	39.2	Very low	36	Very low	178 Å²	178	137.4 Å²	137.4	83%	0.832	80%	0.804	S	S	*	*				151.1	174	82.1	-111	-111.2	156.7	0	0	106.8
554	P	49.3	Very low	35.6	Very low	107 Å²	107	132.5 Å²	132.5	70%	0.695	80%	0.803	S	S	*	*				-122.3	174.5	-101	35.7	-15.4	0	0	0	114.3
555	G	34.8	Very low	35.5	Very low	80 Å²	80	135.5 Å²	135.5	83%	0.825	81%	0.809	S	S	*	*			trans	-115.7	106.9	176.5	0	0	0	0	0	113.6
556	E	36.9	Very low	35.4	Very low	199 Å²	199	134.4 Å²	134.4	93%	0.93	81%	0.813	S	S	*	*			trans	-61	143.1	157.6	-71.8	179.3	130.7	0	0	110.9
557	G	34.6	Very low	35.3	Very low	67 Å²	67	134.3 Å²	134.3	69%	0.691	82%	0.821	S	S	*	*				96	116.4	89.2	0	0	0	0	0	110.3
558	T	33.8	Very low	35.3	Very low	132 Å²	132	134.5 Å²	134.5	81%	0.81	82%	0.822	S	S	*	*				-173	134	59.4	37.1	0	0	0	0	108.5
559	S	36.7	Very low	35.4	Very low	103 Å²	103	139.6 Å²	139.6	72%	0.72	83%	0.83	S	S	*	*				62.9	129.5	108.1	101	0	0	0	0	115.2
560	K	36.2	Very low	35.5	Very low	174 Å²	174	136 Å²	136	76%	0.757	83%	0.829	S	S	*	*			cis	-170.2	154.2	44.3	-119.5	-174.6	173.4	-169	0	113.5
561	D	36.5	Very low	35.5	Very low	143 Å²	143	134.1 Å²	134.1	77%	0.765	83%	0.829	S	S	*	*			trans	87.6	112.6	144.4	-59	-19.8	0	0	0	122
562	G	34	Very low	35.9	Very low	80 Å²	80	131.2 Å²	131.2	83%	0.825	83%	0.829	S	S	*	*				136.8	73	123.1	0	0	0	0	0	118
563	E	36	Very low	36.2	Very low	205 Å²	205	130.1 Å²	130.1	96%	0.958	83%	0.826	S	S	*	*			trans	-61	164	166.1	-70.4	177	127.4	0	0	114.2
564	G	32.4	Very low	36.6	Very low	80 Å²	80	129.7 Å²	129.7	83%	0.825	83%	0.828	S	S	*	*			trans	163.5	82.9	152.3	0	0	0	0	0	116.3
565	K	34.1	Very low	36	Very low	207 Å²	207	137.2 Å²	137.2	90%	0.9	85%	0.853	S	S	*	*			trans	-87.5	146.2	159.9	-116.3	-176.8	-178.4	178.6	0	109.6
566	A	33.7	Very low	36.1	Very low	109 Å²	109	140.1 Å²	140.1	90%	0.901	86%	0.855	S	S	*	*			trans	73.7	126.2	152.5	0	0	0	0	0	119.8
567	G	31.6	Very low	36	Very low	85 Å²	85	136.9 Å²	136.9	88%	0.876	85%	0.851	S	S	*	*			trans	-151.7	74.8	163.8	0	0	0	0	0	109.1
568	Q	31.7	Very low	36.1	Very low	198 Å²	198	140.8 Å²	140.8	93%	0.925	86%	0.86	S	S	*	*			trans	-115.2	98.2	163.6	-170.5	173.4	14.6	0	0	105.1
569	E	34.6	Very low	36.2	Very low	196 Å²	196	141.4 Å²	141.4	92%	0.916	86%	0.863	S	S	*	*			trans	-106	121.6	166.7	-86.2	-174	159.8	0	0	108.3
570	G	36.2	Very low	36.2	Very low	77 Å²	77	143.8 Å²	143.8	79%	0.794	87%	0.872	S	S	*	*			trans	-83.2	156.2	156.4	0	0	0	0	0	109.9
571	S	33.8	Very low	36.2	Very low	126 Å²	126	141.7 Å²	141.7	88%	0.881	88%	0.879	S	S	*	*			trans	-140.6	120.2	157.8	-179.4	0	0	0	0	109.5
572	S	43.2	Very low	36.2	Very low	120 Å²	120	141.6 Å²	141.6	84%	0.839	89%	0.888	S	S	*	*			trans	-105.9	137.9	164.2	53.5	0	0	0	0	108.3
573	G	39.9	Very low	36.4	Very low	66 Å²	66	146.4 Å²	146.4	68%	0.68	89%	0.892	S	S	*	*			trans	165.3	89.6	167.5	0	0	0	0	0	110.4
574	I	48	Very low	36.4	Very low	169 Å²	169	141.5 Å²	141.5	87%	0.867	89%	0.887	S	S	*	*				59.7	97.7	102.8	-55.7	171.8	0	0	0	113
575	E	37.6	Very low	36.8	Very low	265 Å²	265	147.1 Å²	147.1	100%	1.238	89%	0.893	S	S	*	*				-164	0	119.1	-108.7	-176.5	175.6	0	0	110.1

Retrieved 575 of 575 residues in 104.6 ms (Link to these results)

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