A0A3Q0KIX7_SCHMA Loading...

Beta-catenin-like protein 1

Component of the PRP19-CDC5L complex that forms an integral part of the spliceosome and is required for activating pre-mRNA splicing. Participates in AID/AICDA-mediated somatic hypermutation (SHM) and class-switch recombination (CSR), 2 processes resulting in the production of high-affinity, mutated isotype-switched antibodies.

AlphaFold DB , UniProt , Accession A0A3Q0KIX7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 621 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.7	Very low	33	Very low	241 Å²	241	132.5 Å²	132.5	100%	1.187	72%	0.717	S	S	*	*				0	109.5	0	-83.4	171.8	164.5	0	0	106.1
2	D	37.1	Very low	32.6	Very low	93 Å²	93	131.7 Å²	131.7	50%	0.497	72%	0.723	S	S	.	*			trans	-70.9	130.9	-179.7	-164.9	-20.9	0	0	0	108.3	R4 D5	D2-R4 PolarHBondContact O-N 2.94Å; D2-R4 IonicContact OD1-NE 3.73Å; D2-R4 IonicContact OD2-NE 3.9Å; D2-D5 PolarHBondContact O-N 3.06Å
3	V	34.8	Very low	32	Very low	110 Å²	110	129.1 Å²	129.1	67%	0.667	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-65.1	-11.7	-172.8	180	0	0	0	0	111.7	D5	V3-D5 VanDerWaalsContact C-N 3.35Å
4	R	37.7	Very low	32	Very low	192 Å²	192	123.9 Å²	123.9	73%	0.725	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-70.4	-27	176.5	-59.5	178.4	-155.3	-163.2	2.1	113.5	D2 V6	D2-R4 PolarHBondContact O-N 2.94Å; D2-R4 IonicContact OD1-NE 3.73Å; D2-R4 IonicContact OD2-NE 3.9Å; R4-V6 VanDerWaalsContact C-N 3.32Å; R4-V6 PolarHBondContact O-N 3.04Å
5	D	39.6	Very low	31.8	Very low	121 Å²	121	119.1 Å²	119.1	65%	0.647	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-79.7	-13.3	-177	-67.1	-24.8	0	0	0	113.4	D2 V3	D2-D5 PolarHBondContact O-N 3.06Å; V3-D5 VanDerWaalsContact C-N 3.35Å
6	V	38.1	Very low	32	Very low	115 Å²	115	113.1 Å²	113.1	70%	0.697	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-89.3	-15.1	178.1	-175.2	0	0	0	0	111.9	R4	R4-V6 VanDerWaalsContact C-N 3.32Å; R4-V6 PolarHBondContact O-N 3.04Å
7	L	28.8	Very low	32.6	Very low	148 Å²	148	109.2 Å²	109.2	78%	0.775	61%	0.606	S	S	*	*	S	Bend	trans	-103.8	3	-176.1	-66.2	176.9	0	0	0	114.5
8	S	27.8	Very low	33.1	Very low	88 Å²	88	107.3 Å²	107.3	62%	0.615	59%	0.588	S	S	*	*			trans	-95.3	5.9	178.7	59.4	0	0	0	0	114.8	A10	S8-A10 PolarHBondContact O-N 3.47Å
9	F	28.2	Very low	33.3	Very low	185 Å²	185	103.7 Å²	103.7	81%	0.811	57%	0.571	S	S	*	*			trans	-71.5	72.4	158.2	-76.7	-80	0	0	0	108.9	S11	F9-S11 VanDerWaalsContact C-N 3.32Å; F9-S11 PolarHBondContact O-N 3.36Å
10	A	27.3	Very low	33.8	Very low	88 Å²	88	99.2 Å²	99.2	73%	0.727	55%	0.546	S	S	*	.			trans	-57.4	104	158	0	0	0	0	0	106.1	S8	S8-A10 PolarHBondContact O-N 3.47Å
11	S	26.5	Very low	34.8	Very low	77 Å²	77	102 Å²	102	54%	0.538	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-48.9	128.3	163.2	-63.1	0	0	0	0	106.8	F9 S13	F9-S11 VanDerWaalsContact C-N 3.32Å; F9-S11 PolarHBondContact O-N 3.36Å; S11-S13 PolarHBondContact O-N 3.01Å
12	P	27.3	Very low	35.4	Very low	122 Å²	122	92.7 Å²	92.7	79%	0.792	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-55.3	120.7	-178.9	20.6	-29.8	0	0	0	107.5
13	S	25.3	Very low	36.1	Very low	98 Å²	98	88.5 Å²	88.5	69%	0.685	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-57.7	128.2	174.6	-65.6	0	0	0	0	107.3	S11 Q15	S11-S13 PolarHBondContact O-N 3.01Å; S13-Q15 PolarHBondContact O-N 2.82Å; S13-Q15 VanDerWaalsContact O-N 3.08Å
14	P	32	Very low	36.6	Very low	56 Å²	56	88.2 Å²	88.2	36%	0.364	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-57.5	120.2	-177.7	20.8	-30.6	0	0	0	108.8	L16 T531	P14-L16 HydrophobicContact CB-CD1 4.12Å; P14-L16 HydrophobicContact CG-CD1 4.14Å; P14-L16 WeakPolarHBondContact O-CD1 3.43Å; P14-L16 PolarHBondContact O-N 3.28Å; P14-T531 HydrophobicContact CB-CG2 4.26Å
15	Q	29.2	Very low	36.6	Very low	52 Å²	52	81.4 Å²	81.4	24%	0.243	47%	0.469	C	S	.	.			trans	-75.2	97.9	179.3	-64.3	-174.7	-15.8	0	0	108	S13 K17 S596 T597	S13-Q15 PolarHBondContact O-N 2.82Å; S13-Q15 VanDerWaalsContact O-N 3.08Å; Q15-K17 PolarHBondContact O-N 3.23Å; Q15-S596 PolarHBondContact NE2-OG 2.92Å; Q15-T597 HydrophobicContact CB-CG2 4.32Å; Q15-T597 VanDerWaalsContact CD-CG2 3.41Å; Q15-T597 HydrophobicContact CG-CG2 4.23Å
16	L	34.1	Very low	36.8	Very low	24 Å²	24	77.3 Å²	77.3	13%	0.126	45%	0.449	C	S	.	.			trans	-81.6	111.8	-171.1	-108.4	87.5	0	0	0	111	P14 M534 L538 N591	P14-L16 HydrophobicContact CB-CD1 4.12Å; P14-L16 HydrophobicContact CG-CD1 4.14Å; P14-L16 WeakPolarHBondContact O-CD1 3.43Å; P14-L16 PolarHBondContact O-N 3.28Å; L16-M534 HydrophobicContact CD1-CE 4.16Å; L16-M534 HydrophobicContact CD1-CG 3.59Å; L16-M534 HydrophobicContact CD2-CE 3.71Å; L16-M534 HydrophobicContact CD2-CG 3.61Å; L16-M534 HydrophobicContact CD2-SD 3.83Å; L16-M534 HydrophobicContact CG-CG 4.11Å; L16-L538 HydrophobicContact CD2-CD1 3.62Å; L16-L538 HydrophobicContact CD2-CD2 3.64Å; L16-L538 HydrophobicContact CD2-CG 3.98Å; L16-L538 HydrophobicContact CG-CD1 4.04Å; L16-N591 HydrophobicContact CB-CB 3.93Å; L16-N591 HydrophobicContact CD2-CB 4.15Å; L16-N591 PolarHBondContact N-O 3.36Å
17	K	42.7	Very low	36.8	Very low	47 Å²	47	76.7 Å²	76.7	20%	0.204	45%	0.45	C	S	.	.			trans	-143.7	152.8	164.9	-68.5	-172.6	-129.6	147.3	0	114.6	Q15 S19 S376 L378 T601	Q15-K17 PolarHBondContact O-N 3.23Å; K17-S19 PolarHBondContact O-N 2.58Å; K17-S376 WeakPolarHBondContact CB-OG 3.38Å; K17-S376 WeakPolarHBondContact CD-OG 3.05Å; K17-L378 HydrophobicContact CB-CD1 3.99Å; K17-L378 HydrophobicContact CB-CG 4.27Å; K17-L378 WeakPolarHBondContact O-CD1 3.3Å; K17-T601 HydrophobicContact CD-CG2 4.13Å
18	R	41.9	Very low	37.3	Very low	74 Å²	74	72.5 Å²	72.5	28%	0.279	43%	0.428	S	S	.	.			trans	-68.8	87.1	169.9	-173.8	177.1	176.8	-140.4	-12.2	109.8	L20 D369 S376 N460	R18-L20 PolarHBondContact O-N 3.31Å; R18-D369 IonicContact CZ-OD1 2.73Å; R18-D369 IonicContact CZ-OD2 2.72Å; R18-D369 IonicContact NH1-OD1 2.74Å; R18-D369 VanDerWaalsContact NH2-CG 3.26Å; R18-D369 IonicContact NH2-OD1 3.48Å; R18-D369 PolarHBondContact NH2-OD1 3.4Å; R18-D369 IonicContact NH2-OD2 2.92Å; R18-D369 PolarHBondContact NH2-OD2 3.15Å; R18-S376 WeakPolarHBondContact O-CB 3.24Å; R18-N460 VanDerWaalsContact CZ-CG 3.42Å; R18-N460 PolarHBondContact NH1-ND2 3.27Å; R18-N460 PolarHBondContact NH1-OD1 2.88Å; R18-N460 VanDerWaalsContact NH1-OD1 3.12Å; R18-N460 PolarHBondContact NH2-ND2 3.02Å
19	S	37.6	Very low	37.3	Very low	39 Å²	39	76 Å²	76	27%	0.273	44%	0.435	S	S	.	.			trans	-68.6	109.1	153	-171.5	0	0	0	0	104.9	K17 K21	K17-S19 PolarHBondContact O-N 2.58Å; S19-K21 VanDerWaalsContact C-N 3.26Å; S19-K21 PolarHBondContact O-N 2.74Å
20	L	43.3	Very low	37.3	Very low	13 Å²	13	75.1 Å²	75.1	7%	0.068	44%	0.438	C	S	.	.			trans	-49.8	111.1	152.4	-74.5	166	0	0	0	103.5	R18 M333 Y370	R18-L20 PolarHBondContact O-N 3.31Å; L20-M333 HydrophobicContact CB-CE 3.61Å; L20-M333 HydrophobicContact CB-SD 3.66Å; L20-M333 WeakPolarHBondContact O-CE 3.29Å; L20-Y370 HydrophobicContact CB-CD1 4.29Å; L20-Y370 HydrophobicContact CB-CE1 4.01Å; L20-Y370 HydrophobicContact CD1-CD1 4.13Å; L20-Y370 HydrophobicContact CD1-CD2 4.31Å; L20-Y370 HydrophobicContact CD1-CG 3.99Å; L20-Y370 HydrophobicContact CD2-CD2 3.9Å; L20-Y370 HydrophobicContact CD2-CE1 4.39Å; L20-Y370 HydrophobicContact CD2-CE2 3.66Å; L20-Y370 HydrophobicContact CD2-CG 4.35Å
21	K	54.2	Low	37.1	Very low	158 Å²	158	79.5 Å²	79.5	69%	0.687	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-76.4	150.5	174.5	-70.5	-177	-180	179.1	0	106.7	S19 M333 Y370	S19-K21 VanDerWaalsContact C-N 3.26Å; S19-K21 PolarHBondContact O-N 2.74Å; K21-M333 WeakPolarHBondContact O-CE 3.24Å; K21-Y370 PolarHBondContact O-OH 3.22Å
22	P	49.6	Very low	37.1	Very low	47 Å²	47	83.5 Å²	83.5	31%	0.305	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-46.6	140.9	159.6	18.4	-27.3	0	0	0	108.2	Q282	P22-Q282 HydrophobicContact CB-CB 3.88Å; P22-Q282 HydrophobicContact CB-CG 3.78Å; P22-Q282 HydrophobicContact CG-CB 4.47Å
23	P	51.4	Low	36.9	Very low	5 Å²	5	85 Å²	85	3%	0.032	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-48.2	148	167.6	22.3	-32.4	0	0	0	108.8	Q282 D326 C329 S330	P23-Q282 PolarHBondContact O-NE2 3.27Å; P23-Q282 VanDerWaalsContact O-NE2 3.15Å; P23-Q282 PolarHBondContact O-OE1 3.2Å; P23-D326 HydrophobicContact CB-CB 4.14Å; P23-D326 WeakPolarHBondContact CB-OD1 3.48Å; P23-D326 HydrophobicContact CG-CB 3.51Å; P23-D326 WeakPolarHBondContact CG-OD1 3.34Å; P23-C329 HydrophobicContact CG-CB 4.43Å; P23-S330 WeakPolarHBondContact CD-OG 3.26Å
24	P	46.8	Very low	37.1	Very low	104 Å²	104	84.4 Å²	84.4	68%	0.675	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-56.6	148.8	175.1	26.2	-33.5	0	0	0	109.4	Q282	P24-Q282 VanDerWaalsContact C-OE1 3.29Å; P24-Q282 PolarHBondContact O-NE2 3.22Å
25	P	37.1	Very low	36.8	Very low	48 Å²	48	91.2 Å²	91.2	31%	0.312	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-59	147	173.5	23.6	-31.5	0	0	0	108	S27 L28 I279 Q282	P25-S27 PolarHBondContact O-N 3.35Å; P25-L28 HydrophobicContact CB-CD1 4.4Å; P25-L28 HydrophobicContact CB-CG 4.3Å; P25-L28 HydrophobicContact CG-CD1 4.25Å; P25-L28 HydrophobicContact CG-CG 4.37Å; P25-I279 HydrophobicContact CB-CG1 4.33Å; P25-Q282 VanDerWaalsContact CD-OE1 3.23Å
26	P	43.5	Very low	36.4	Very low	35 Å²	35	100.4 Å²	100.4	23%	0.227	52%	0.516	C	S	.	.	S	Bend	trans	-46.8	121.8	158.9	-21.5	33.6	0	0	0	106.2	L28 E275 N323	P26-L28 PolarHBondContact O-N 3.16Å; P26-E275 HydrophobicContact CB-CG 4.38Å; P26-E275 HydrophobicContact CG-CB 4.45Å; P26-E275 HydrophobicContact CG-CG 4.28Å; P26-N323 VanDerWaalsContact CG-OD1 3.26Å; P26-N323 WeakPolarHBondContact CG-OD1 3.49Å
27	S	38.2	Very low	36	Very low	102 Å²	102	104.7 Å²	104.7	71%	0.713	55%	0.545	S	S	*	.			trans	-44.6	112.9	-157.7	-54.5	0	0	0	0	113.2	P25 Q29	P25-S27 PolarHBondContact O-N 3.35Å; S27-Q29 WeakPolarHBondContact CB-O 3.23Å; S27-Q29 PolarHBondContact O-N 3.13Å
28	L	40.2	Very low	35	Very low	61 Å²	61	112.7 Å²	112.7	32%	0.319	58%	0.58	S	S	.	*	S	Bend	trans	-68.3	15.7	163.3	-60.1	170	0	0	0	111.8	P25 P26 E234 E238 I279	P25-L28 HydrophobicContact CB-CD1 4.4Å; P25-L28 HydrophobicContact CB-CG 4.3Å; P25-L28 HydrophobicContact CG-CD1 4.25Å; P25-L28 HydrophobicContact CG-CG 4.37Å; P26-L28 PolarHBondContact O-N 3.16Å; L28-E234 HydrophobicContact CD2-CG 4.36Å; L28-E238 HydrophobicContact CD1-CG 4.3Å; L28-E238 HydrophobicContact CD2-CG 3.88Å; L28-E238 VanDerWaalsContact CD2-OE1 3.25Å; L28-E238 WeakPolarHBondContact CD2-OE1 3.17Å; L28-E238 HydrophobicContact CG-CG 4.46Å; L28-I279 HydrophobicContact CD2-CD1 3.76Å; L28-I279 HydrophobicContact CD2-CG1 4.36Å
29	Q	27	Very low	34.2	Very low	160 Å²	160	115.6 Å²	115.6	75%	0.748	61%	0.605	S	S	*	*			trans	-144.7	102.3	-175.5	-70.7	-179	-5.2	0	0	107.7	S27 E31	S27-Q29 WeakPolarHBondContact CB-O 3.23Å; S27-Q29 PolarHBondContact O-N 3.13Å; Q29-E31 PolarHBondContact O-N 3.32Å
30	L	28.1	Very low	33.6	Very low	168 Å²	168	118.5 Å²	118.5	88%	0.88	63%	0.626	S	S	*	*			trans	-60.7	114.5	147.6	-76.9	167.7	0	0	0	106.1	I32	L30-I32 PolarHBondContact O-N 3.02Å
31	E	23.4	Very low	32.7	Very low	179 Å²	179	122.4 Å²	122.4	84%	0.836	66%	0.66	S	S	*	*			trans	-44.5	103.7	176.6	-70.9	-179.7	151.6	0	0	110.7	Q29 D33	Q29-E31 PolarHBondContact O-N 3.32Å; E31-D33 PolarHBondContact O-N 3.47Å
32	I	25.7	Very low	31.2	Very low	162 Å²	162	121.4 Å²	121.4	83%	0.831	66%	0.662	S	S	*	*			trans	-77.6	73	165.5	-54.8	178	0	0	0	106.9	L30	L30-I32 PolarHBondContact O-N 3.02Å
33	D	24.6	Very low	30.2	Very low	153 Å²	153	127 Å²	127	82%	0.818	68%	0.684	S	S	*	*			trans	-114.3	51	166.1	-115.6	-9.5	0	0	0	109.4	E31	E31-D33 PolarHBondContact O-N 3.47Å
34	A	29.6	Very low	29	Very low	86 Å²	86	133.2 Å²	133.2	71%	0.711	72%	0.716	S	S	*	*	S	Bend	trans	-118.2	78.3	169.9	0	0	0	0	0	110.2	R36	A34-R36 PolarHBondContact O-N 2.91Å
35	K	24.8	Very low	27.7	Very low	198 Å²	198	133.6 Å²	133.6	86%	0.861	72%	0.72	S	S	*	*			trans	16	97.6	152.9	-66.1	177.5	179.2	174.9	0	115.6	P37	K35-P37 VanDerWaalsContact O-CD 3.29Å; K35-P37 WeakPolarHBondContact O-CD 3.41Å
36	R	21.8	Very low	27.2	Very low	246 Å²	246	135 Å²	135	93%	0.928	74%	0.737	S	S	*	*			trans	-54.3	121.4	159.1	-92.8	-175.7	-170.4	-166.4	1.3	110	A34 K38	A34-R36 PolarHBondContact O-N 2.91Å; R36-K38 PolarHBondContact O-N 3.31Å
37	P	23.7	Very low	26.4	Very low	114 Å²	114	143.1 Å²	143.1	74%	0.74	77%	0.769	S	S	*	*			trans	-71.1	127.3	164.6	-8.8	25.7	0	0	0	108.5	K35 V39	K35-P37 VanDerWaalsContact O-CD 3.29Å; K35-P37 WeakPolarHBondContact O-CD 3.41Å; P37-V39 PolarHBondContact O-N 3.17Å
38	K	22.3	Very low	25.7	Very low	215 Å²	215	142.4 Å²	142.4	94%	0.935	76%	0.764	S	S	*	*			trans	-64.1	103.3	168.6	-70.9	178.5	176.4	179.4	0	108.5	R36	R36-K38 PolarHBondContact O-N 3.31Å
39	V	25.3	Very low	24.8	Very low	134 Å²	134	146.5 Å²	146.5	81%	0.812	79%	0.786	S	S	*	*			trans	-87.7	112.2	162.4	-177.4	0	0	0	0	106.9	P37	P37-V39 PolarHBondContact O-N 3.17Å
40	S	24.4	Very low	24.8	Very low	100 Å²	100	145.7 Å²	145.7	70%	0.699	79%	0.792	S	S	*	*			trans	-57.9	129.7	174.1	44.6	0	0	0	0	110.7	D42	S40-D42 PolarHBondContact O-N 3.24Å
41	A	24.3	Very low	24.5	Very low	96 Å²	96	142.9 Å²	142.9	79%	0.793	79%	0.786	S	S	*	*			trans	-66	110.7	166.8	0	0	0	0	0	109.1
42	D	24.5	Very low	24.6	Very low	137 Å²	137	139.6 Å²	139.6	73%	0.733	78%	0.783	S	S	*	*			trans	-163.7	98.6	158.1	-89.8	-32.8	0	0	0	107.9	S40	S40-D42 PolarHBondContact O-N 3.24Å
43	H	27.5	Very low	24.6	Very low	163 Å²	163	139.7 Å²	139.7	76%	0.755	79%	0.785	S	S	*	*				156.7	112.5	124.4	-85	-66.6	0	0	0	113.4
44	I	25.5	Very low	24.5	Very low	137 Å²	137	138.9 Å²	138.9	70%	0.703	79%	0.786	S	S	*	*			trans	83.9	95.7	130.2	-57.9	168.5	0	0	0	117.5
45	S	21.2	Very low	24.4	Very low	111 Å²	111	138.1 Å²	138.1	78%	0.776	79%	0.786	S	S	*	*			trans	-35.1	128.6	133.8	54.1	0	0	0	0	115
46	A	25.1	Very low	24.5	Very low	79 Å²	79	135.6 Å²	135.6	65%	0.653	78%	0.782	S	S	*	*			trans	170.6	113.7	133	0	0	0	0	0	108.2
47	F	27	Very low	24.6	Very low	205 Å²	205	131.5 Å²	131.5	90%	0.899	78%	0.778	S	S	*	*				-176.4	128.2	103.7	-104.3	-81.7	0	0	0	109.2
48	S	23.3	Very low	24.7	Very low	87 Å²	87	135.3 Å²	135.3	61%	0.608	79%	0.786	S	S	*	*			trans	-83.6	154.7	-177.7	47.7	0	0	0	0	112.3
49	D	21.9	Very low	24.9	Very low	146 Å²	146	132.2 Å²	132.2	78%	0.781	78%	0.78	S	S	*	*			trans	59.4	119	141.2	-58.8	-20.7	0	0	0	119.5
50	T	27.8	Very low	24.9	Very low	144 Å²	144	135.3 Å²	135.3	88%	0.883	78%	0.782	S	S	*	*				-159	114.1	117.6	14.7	0	0	0	0	110.7
51	S	21.7	Very low	24.8	Very low	108 Å²	108	135.7 Å²	135.7	76%	0.755	79%	0.785	S	S	*	*			trans	-59	146	156.7	54	0	0	0	0	111.8
52	S	24.7	Very low	24.9	Very low	111 Å²	111	142.8 Å²	142.8	78%	0.776	79%	0.791	S	S	*	*				169.6	140.2	111.9	55.4	0	0	0	0	112.9
53	D	25.4	Very low	25.1	Very low	163 Å²	163	141.8 Å²	141.8	87%	0.872	79%	0.792	S	S	*	*			trans	101.3	105.4	147.2	-101.4	-0.3	0	0	0	121.4
54	V	23.5	Very low	25	Very low	136 Å²	136	143.5 Å²	143.5	82%	0.824	80%	0.798	S	S	*	*			trans	-75.2	142.4	164.6	175.2	0	0	0	0	108.6
55	G	26.8	Very low	25	Very low	70 Å²	70	144.4 Å²	144.4	72%	0.722	80%	0.804	S	S	*	*			trans	-160.6	85.3	172.2	0	0	0	0	0	111.7
56	D	26.3	Very low	25.3	Very low	146 Å²	146	142.9 Å²	142.9	78%	0.781	80%	0.798	S	S	*	*			trans	35.8	122.7	148.4	-62.1	-33.2	0	0	0	122.8
57	L	23.4	Very low	25.5	Very low	159 Å²	159	144 Å²	144	83%	0.832	80%	0.799	S	S	*	*			trans	-34.4	139.7	146.4	-68.9	123.8	0	0	0	113.8
58	E	27.5	Very low	25.5	Very low	194 Å²	194	142.2 Å²	142.2	91%	0.907	80%	0.799	S	S	*	*				-171.4	126.4	124.6	-103.8	173.9	-164.2	0	0	113.7
59	D	26.3	Very low	25.7	Very low	151 Å²	151	142.2 Å²	142.2	81%	0.807	80%	0.799	S	S	*	*			trans	66.3	104.8	141.6	-135.2	3.8	0	0	0	122.7
60	F	24.2	Very low	26.1	Very low	199 Å²	199	146.6 Å²	146.6	87%	0.873	81%	0.805	S	S	*	*			trans	-75.7	111.2	163.4	-80.2	-102.9	0	0	0	110.1
61	S	22.9	Very low	26.1	Very low	108 Å²	108	147.2 Å²	147.2	76%	0.755	80%	0.803	S	S	*	*			trans	179.9	101.6	148.5	-86	0	0	0	0	112.5
62	R	27.4	Very low	26.5	Very low	245 Å²	245	146.7 Å²	146.7	93%	0.925	80%	0.799	S	S	*	*			trans	-177.1	150.2	131.3	-99.9	162.7	-168.1	-154.8	5	112.5
63	P	28	Very low	26.6	Very low	116 Å²	116	151.1 Å²	151.1	75%	0.753	81%	0.807	S	S	*	*			trans	-89.6	148.8	-152.2	34.7	-34	0	0	0	114.1	N65	P63-N65 PolarHBondContact O-N 3.05Å
64	F	24.7	Very low	26.9	Very low	198 Å²	198	147.7 Å²	147.7	87%	0.868	79%	0.792	S	S	*	*			trans	-18.9	104.8	161.7	-139.9	-100.7	0	0	0	115
65	N	27	Very low	27.3	Very low	156 Å²	156	147 Å²	147	83%	0.834	79%	0.793	S	S	*	*			trans	-114.6	111	153.7	-114.1	-1.2	0	0	0	106.2	P63 P67	P63-N65 PolarHBondContact O-N 3.05Å; N65-P67 VanDerWaalsContact O-CD 3.3Å; N65-P67 WeakPolarHBondContact O-CD 3.46Å
66	A	26.5	Very low	27.9	Very low	79 Å²	79	147.5 Å²	147.5	65%	0.653	78%	0.78	S	S	*	*			trans	-58.3	120.4	179.3	0	0	0	0	0	110	D68	A66-D68 PolarHBondContact O-N 2.96Å
67	P	29.7	Very low	28.5	Very low	102 Å²	102	142.4 Å²	142.4	66%	0.662	76%	0.761	S	S	*	*			trans	-81.9	110.9	172.9	-4.7	23.1	0	0	0	109.1	N65 S69	N65-P67 VanDerWaalsContact O-CD 3.3Å; N65-P67 WeakPolarHBondContact O-CD 3.46Å; P67-S69 VanDerWaalsContact C-N 3.34Å; P67-S69 PolarHBondContact O-N 3.38Å
68	D	26.9	Very low	29.2	Very low	169 Å²	169	139.1 Å²	139.1	90%	0.904	75%	0.749	S	S	*	*	S	Bend	trans	-59.6	97.1	154.7	-83.7	-34.6	0	0	0	108.4	A66	A66-D68 PolarHBondContact O-N 2.96Å
69	S	27.4	Very low	30.3	Very low	87 Å²	87	133.4 Å²	133.4	61%	0.608	73%	0.728	S	S	*	*			trans	163.5	85.4	152.9	43.2	0	0	0	0	108.7	P67 D71	P67-S69 VanDerWaalsContact C-N 3.34Å; P67-S69 PolarHBondContact O-N 3.38Å; S69-D71 PolarHBondContact O-N 3.2Å; S69-D71 VanDerWaalsContact O-N 3.17Å
70	W	29.7	Very low	31.6	Very low	238 Å²	238	133 Å²	133	90%	0.902	73%	0.731	S	S	*	*			trans	-82.7	36.6	165.8	-79.9	33.8	0	0	0	111.5
71	D	28.3	Very low	33.3	Very low	157 Å²	157	124.9 Å²	124.9	84%	0.84	70%	0.698	S	S	*	*			trans	-101.8	82.3	168.4	-75.3	-23.8	0	0	0	107.9	S69	S69-D71 PolarHBondContact O-N 3.2Å; S69-D71 VanDerWaalsContact O-N 3.17Å
72	S	30.4	Very low	35.2	Very low	97 Å²	97	121.5 Å²	121.5	68%	0.678	68%	0.68	S	S	*	*			trans	-144.7	115.6	154.4	38.3	0	0	0	0	108.7	T74	S72-T74 PolarHBondContact O-N 2.9Å
73	E	26.3	Very low	36.8	Very low	204 Å²	204	111.9 Å²	111.9	95%	0.953	65%	0.653	S	S	*	*			trans	-52.7	81.4	171.3	-63.4	173.4	145.6	0	0	110.2	S75	E73-S75 PolarHBondContact O-N 2.9Å
74	T	32.2	Very low	38.5	Very low	90 Å²	90	114.2 Å²	114.2	55%	0.552	66%	0.659	S	S	*	*			trans	-79.9	108.1	151.3	43.1	0	0	0	0	105.5	S72 N76	S72-T74 PolarHBondContact O-N 2.9Å; T74-N76 PolarHBondContact O-N 3.16Å
75	S	32.1	Very low	41.1	Very low	121 Å²	121	111 Å²	111	85%	0.846	65%	0.646	S	S	*	*			trans	-61.4	71.8	172.2	175.8	0	0	0	0	110	E73 G77	E73-S75 PolarHBondContact O-N 2.9Å; S75-G77 VanDerWaalsContact C-N 3.28Å; S75-G77 PolarHBondContact O-N 3.14Å
76	N	39.7	Very low	44	Very low	82 Å²	82	104.1 Å²	104.1	44%	0.439	61%	0.61	S	S	.	*			trans	-97.3	52.4	176.5	-70.1	-4	0	0	0	109.3	T74	T74-N76 PolarHBondContact O-N 3.16Å
77	G	38.2	Very low	47.2	Very low	38 Å²	38	103.5 Å²	103.5	39%	0.392	60%	0.598	S	S	.	*			trans	-73.2	157	163.8	0	0	0	0	0	110.2	S75 T79	S75-G77 VanDerWaalsContact C-N 3.28Å; S75-G77 PolarHBondContact O-N 3.14Å; G77-T79 PolarHBondContact O-N 3.16Å; G77-T79 VanDerWaalsContact O-N 3.09Å; G77-T79 PolarHBondContact O-OG1 3.18Å
78	P	37.4	Very low	50.2	Low	90 Å²	90	102.7 Å²	102.7	58%	0.584	59%	0.586	S	S	*	*			trans	-54.3	121	179	22.6	-30.9	0	0	0	108.7
79	T	50.5	Low	53.4	Low	74 Å²	74	99.5 Å²	99.5	45%	0.454	57%	0.572	S	S	.	*			trans	-107.6	118.5	176	-21.2	0	0	0	0	105.2	G77 V81 R93 E132	G77-T79 PolarHBondContact O-N 3.16Å; G77-T79 VanDerWaalsContact O-N 3.09Å; G77-T79 PolarHBondContact O-OG1 3.18Å; T79-V81 VanDerWaalsContact C-N 3.28Å; T79-V81 PolarHBondContact O-N 3.46Å; T79-R93 PolarHBondContact OG1-NH1 3.08Å; T79-E132 VanDerWaalsContact O-OE1 3.12Å
80	T	54	Low	56.6	Low	142 Å²	142	95.8 Å²	95.8	87%	0.871	55%	0.546	S	S	*	.			trans	-66.5	90.5	175.2	52.5	0	0	0	0	108.5
81	V	59.6	Low	59.8	Low	30 Å²	30	84.5 Å²	84.5	18%	0.182	50%	0.504	C	S	.	.			trans	-78.9	121.8	173.4	-176.5	0	0	0	0	107.1	T79 E85 V86 T90 R93	T79-V81 VanDerWaalsContact C-N 3.28Å; T79-V81 PolarHBondContact O-N 3.46Å; V81-E85 HydrophobicContact CG1-CB 3.91Å; V81-V86 HydrophobicContact CG1-CG2 4.5Å; V81-T90 HydrophobicContact CG1-CG2 4.12Å; V81-T90 HydrophobicContact CG2-CG2 4.38Å; V81-R93 VanDerWaalsContact CG2-NH2 3.26Å
82	G	62.8	Low	63	Low	36 Å²	36	81.8 Å²	81.8	37%	0.371	48%	0.482	S	S	.	.			trans	-67.4	150.5	173.6	0	0	0	0	0	110.8	N84 E85	G82-N84 PolarHBondContact O-N 3.1Å; G82-E85 PolarHBondContact O-N 2.87Å
83	A	61.7	Low	66.2	Low	44 Å²	44	80.9 Å²	80.9	36%	0.364	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-54.1	-28.3	179.7	0	0	0	0	0	114	E85 V135 A138 N139	A83-E85 VanDerWaalsContact C-N 3.32Å; A83-E85 PolarHBondContact O-N 2.96Å; A83-V135 HydrophobicContact CB-CG2 4.35Å; A83-A138 HydrophobicContact CB-CB 4.08Å; A83-N139 PolarHBondContact O-ND2 3.5Å
84	N	63.2	Low	69.6	Low	164 Å²	164	71.1 Å²	71.1	88%	0.877	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-81.8	-3.4	178.3	-63.9	-14.3	0	0	0	114.2	G82	G82-N84 PolarHBondContact O-N 3.1Å
85	E	79.4	Confident	72.7	Confident	130 Å²	130	66.9 Å²	66.9	61%	0.607	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-113.9	11	-176.4	-63.3	-179.5	167.6	0	0	112.3	V81 G82 A83 T87	V81-E85 HydrophobicContact CG1-CB 3.91Å; G82-E85 PolarHBondContact O-N 2.87Å; A83-E85 VanDerWaalsContact C-N 3.32Å; A83-E85 PolarHBondContact O-N 2.96Å; E85-T87 PolarHBondContact O-N 3.05Å
86	V	88.1	Confident	75.8	Confident	12 Å²	12	65 Å²	65	7%	0.073	38%	0.375	C	S	.	.			trans	-75.5	122	178.6	-171.7	0	0	0	0	109.2	V81 T90 V135 L136 N139 L142	V81-V86 HydrophobicContact CG1-CG2 4.5Å; V86-T90 HydrophobicContact CG1-CG2 4.12Å; V86-V135 HydrophobicContact CG2-CB 4.33Å; V86-V135 HydrophobicContact CG2-CG1 3.96Å; V86-V135 HydrophobicContact CG2-CG2 3.59Å; V86-L136 HydrophobicContact CG1-CD2 3.72Å; V86-N139 HydrophobicContact CB-CB 4.46Å; V86-N139 WeakPolarHBondContact CB-ND2 3.43Å; V86-N139 WeakPolarHBondContact CG2-ND2 3.49Å; V86-L142 HydrophobicContact CB-CD1 4.32Å; V86-L142 HydrophobicContact CG1-CD1 3.65Å
87	T	93	Very high	78.5	Confident	66 Å²	66	62 Å²	62	41%	0.405	36%	0.359	S	S	.	.			trans	-127.4	175	179.1	64.1	0	0	0	0	110.3	E85 T89 T90 V91	E85-T87 PolarHBondContact O-N 3.05Å; T87-T89 PolarHBondContact O-N 3.36Å; T87-T89 PolarHBondContact OG1-N 2.96Å; T87-T89 PolarHBondContact OG1-OG1 2.97Å; T87-T90 PolarHBondContact N-OG1 3.28Å; T87-T90 VanDerWaalsContact N-OG1 3.09Å; T87-T90 WeakPolarHBondContact O-CA 3.4Å; T87-T90 VanDerWaalsContact O-CB 3.26Å; T87-T90 WeakPolarHBondContact O-CB 3.39Å; T87-T90 PolarHBondContact O-N 3.19Å; T87-T90 PolarHBondContact OG1-OG1 3.24Å; T87-V91 PolarHBondContact O-N 2.98Å; T87-V91 VanDerWaalsContact O-N 3.08Å
88	E	93.5	Very high	81.4	Confident	86 Å²	86	60.2 Å²	60.2	40%	0.402	34%	0.34	S	S	.	.	H	α-helix	trans	-50.5	-39.5	170.2	171.6	161.8	-170.7	0	0	112.5	T90 V91 R92 I145	E88-T90 VanDerWaalsContact C-N 3.33Å; E88-T90 PolarHBondContact O-N 3.1Å; E88-V91 PolarHBondContact O-N 2.92Å; E88-R92 WeakPolarHBondContact O-CG 3.18Å; E88-R92 PolarHBondContact O-N 3.06Å; E88-R92 VanDerWaalsContact O-N 3.1Å; E88-R92 IonicContact OE1-CZ 3.03Å; E88-R92 VanDerWaalsContact OE1-CZ 3.29Å; E88-R92 IonicContact OE1-NE 2.66Å; E88-R92 PolarHBondContact OE1-NE 3.36Å; E88-R92 IonicContact OE1-NH2 3.19Å; E88-R92 PolarHBondContact OE1-NH2 3.22Å; E88-I145 HydrophobicContact CB-CD1 3.6Å; E88-I145 HydrophobicContact CG-CD1 3.72Å; E88-I145 HydrophobicContact CG-CG2 3.91Å
89	T	94.1	Very high	84.3	Confident	101 Å²	101	58 Å²	58	62%	0.62	32%	0.322	S	S	*	.	H	α-helix	trans	-68.7	-34.4	179.1	66.4	0	0	0	0	111.6	T87 R92 R93	T87-T89 PolarHBondContact O-N 3.36Å; T87-T89 PolarHBondContact OG1-N 2.96Å; T87-T89 PolarHBondContact OG1-OG1 2.97Å; T89-R92 PolarHBondContact O-N 3.24Å; T89-R93 WeakPolarHBondContact O-CB 3.13Å; T89-R93 PolarHBondContact O-N 3.02Å
90	T	95.3	Very high	86.5	Confident	10 Å²	10	60 Å²	60	6%	0.061	33%	0.325	C	S	.	.	H	α-helix	trans	-61.7	-45.7	172.7	-47.2	0	0	0	0	111.2	V81 V86 T87 E88 R93 L94	V81-T90 HydrophobicContact CG1-CG2 4.12Å; V81-T90 HydrophobicContact CG2-CG2 4.38Å; V86-T90 HydrophobicContact CG1-CG2 4.12Å; T87-T90 PolarHBondContact N-OG1 3.28Å; T87-T90 VanDerWaalsContact N-OG1 3.09Å; T87-T90 WeakPolarHBondContact O-CA 3.4Å; T87-T90 VanDerWaalsContact O-CB 3.26Å; T87-T90 WeakPolarHBondContact O-CB 3.39Å; T87-T90 PolarHBondContact O-N 3.19Å; T87-T90 PolarHBondContact OG1-OG1 3.24Å; E88-T90 VanDerWaalsContact C-N 3.33Å; E88-T90 PolarHBondContact O-N 3.1Å; T90-R93 PolarHBondContact O-N 2.73Å; T90-L94 HydrophobicContact CG2-CD1 3.93Å; T90-L94 HydrophobicContact CG2-CG 4.41Å; T90-L94 WeakPolarHBondContact O-CB 2.79Å; T90-L94 VanDerWaalsContact O-CG 3.29Å; T90-L94 WeakPolarHBondContact O-CG 3.44Å; T90-L94 PolarHBondContact O-N 3.3Å
91	V	96.2	Very high	88.6	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.006	29%	0.291	C	S	.	.	H	α-helix	trans	-57.2	-54.9	176.1	177.5	0	0	0	0	110.5	T87 E88 R93 L94 T95 L136 L142 I145 L146	T87-V91 PolarHBondContact O-N 2.98Å; T87-V91 VanDerWaalsContact O-N 3.08Å; E88-V91 PolarHBondContact O-N 2.92Å; V91-R93 VanDerWaalsContact C-N 3.31Å; V91-R93 PolarHBondContact O-N 3.46Å; V91-L94 PolarHBondContact O-N 2.85Å; V91-T95 WeakPolarHBondContact O-CG2 3.48Å; V91-T95 PolarHBondContact O-N 2.78Å; V91-T95 PolarHBondContact O-OG1 2.91Å; V91-L136 HydrophobicContact CG2-CD2 3.79Å; V91-L142 HydrophobicContact CG2-CB 4.08Å; V91-L142 HydrophobicContact CG2-CD1 4.15Å; V91-I145 HydrophobicContact CB-CG2 4.41Å; V91-I145 HydrophobicContact CG1-CG2 4.18Å; V91-L146 HydrophobicContact CG1-CB 4.16Å; V91-L146 HydrophobicContact CG1-CD1 4.11Å
92	R	96	Very high	90.4	Very high	100 Å²	100	54.1 Å²	54.1	38%	0.377	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-38	-178.9	-66.2	177.9	-175.3	-85.9	-4.6	112.2	E88 T89 T95 V96 E148	E88-R92 WeakPolarHBondContact O-CG 3.18Å; E88-R92 PolarHBondContact O-N 3.06Å; E88-R92 VanDerWaalsContact O-N 3.1Å; E88-R92 IonicContact OE1-CZ 3.03Å; E88-R92 VanDerWaalsContact OE1-CZ 3.29Å; E88-R92 IonicContact OE1-NE 2.66Å; E88-R92 PolarHBondContact OE1-NE 3.36Å; E88-R92 IonicContact OE1-NH2 3.19Å; E88-R92 PolarHBondContact OE1-NH2 3.22Å; T89-R92 PolarHBondContact O-N 3.24Å; R92-T95 PolarHBondContact O-OG1 2.97Å; R92-T95 VanDerWaalsContact O-OG1 3.08Å; R92-V96 VanDerWaalsContact O-CG2 3.27Å; R92-V96 WeakPolarHBondContact O-CG2 3.27Å; R92-V96 PolarHBondContact O-N 2.69Å; R92-E148 IonicContact NH2-OE2 2.9Å; R92-E148 PolarHBondContact NH2-OE2 3Å
93	R	96.7	Very high	92	Very high	77 Å²	77	56.7 Å²	56.7	29%	0.291	29%	0.289	S	S	.	.	H	α-helix	trans	-63.8	-47.4	176.6	-177.5	-171.6	70.3	127.7	14.4	111.5	T79 V81 T89 T90 V91 L97 E132	T79-R93 PolarHBondContact OG1-NH1 3.08Å; V81-R93 VanDerWaalsContact CG2-NH2 3.26Å; T89-R93 WeakPolarHBondContact O-CB 3.13Å; T89-R93 PolarHBondContact O-N 3.02Å; T90-R93 PolarHBondContact O-N 2.73Å; V91-R93 VanDerWaalsContact C-N 3.31Å; V91-R93 PolarHBondContact O-N 3.46Å; R93-L97 WeakPolarHBondContact O-CB 3.49Å; R93-L97 PolarHBondContact O-N 3.31Å; R93-E132 IonicContact CZ-OE1 3.45Å; R93-E132 IonicContact NH1-OE1 3.01Å; R93-E132 IonicContact NH2-OE1 2.73Å; R93-E132 PolarHBondContact NH2-OE1 3.42Å
94	L	97.5	Very high	93.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-67.5	-39.4	-178.3	-73.1	172.4	0	0	0	112.2	T90 V91 L97 L98 E132 M133 V135 L136	T90-L94 HydrophobicContact CG2-CD1 3.93Å; T90-L94 HydrophobicContact CG2-CG 4.41Å; T90-L94 WeakPolarHBondContact O-CB 2.79Å; T90-L94 VanDerWaalsContact O-CG 3.29Å; T90-L94 WeakPolarHBondContact O-CG 3.44Å; T90-L94 PolarHBondContact O-N 3.3Å; V91-L94 PolarHBondContact O-N 2.85Å; L94-L97 PolarHBondContact O-N 3.17Å; L94-L98 PolarHBondContact O-N 3.02Å; L94-E132 HydrophobicContact CD2-CB 4.29Å; L94-E132 HydrophobicContact CD2-CG 3.8Å; L94-M133 HydrophobicContact CB-CG 4Å; L94-M133 HydrophobicContact CD1-CG 4.49Å; L94-M133 HydrophobicContact CD2-CG 4.34Å; L94-V135 HydrophobicContact CD1-CG1 4.06Å; L94-L136 HydrophobicContact CD1-CD1 4.36Å; L94-L136 HydrophobicContact CD1-CD2 3.92Å; L94-L136 HydrophobicContact CD1-CG 4.05Å
95	T	97.2	Very high	95.4	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-67.1	-39.5	177.4	55.8	0	0	0	0	112.7	V91 R92 L97 L98 E99 L146 Q149 P152	V91-T95 WeakPolarHBondContact O-CG2 3.48Å; V91-T95 PolarHBondContact O-N 2.78Å; V91-T95 PolarHBondContact O-OG1 2.91Å; R92-T95 PolarHBondContact O-OG1 2.97Å; R92-T95 VanDerWaalsContact O-OG1 3.08Å; T95-L97 VanDerWaalsContact C-N 3.35Å; T95-L98 PolarHBondContact O-N 3.35Å; T95-E99 PolarHBondContact O-N 2.9Å; T95-L146 HydrophobicContact CG2-CD1 3.93Å; T95-Q149 HydrophobicContact CG2-CB 3.9Å; T95-Q149 HydrophobicContact CG2-CG 3.9Å; T95-P152 HydrophobicContact CG2-CB 4.08Å; T95-P152 HydrophobicContact CG2-CG 4.49Å
96	V	97.2	Very high	96.1	Very high	82 Å²	82	49.1 Å²	49.1	50%	0.497	25%	0.247	S	C	.	.	H	α-helix	trans	-66	-38.5	172.6	171	0	0	0	0	111.3	R92 E99 K100	R92-V96 VanDerWaalsContact O-CG2 3.27Å; R92-V96 WeakPolarHBondContact O-CG2 3.27Å; R92-V96 PolarHBondContact O-N 2.69Å; V96-E99 PolarHBondContact O-N 2.78Å; V96-K100 PolarHBondContact O-N 2.82Å
97	L	97.6	Very high	96.6	Very high	18 Å²	18	52.7 Å²	52.7	9%	0.094	26%	0.263	C	S	.	.	H	α-helix	trans	-62.7	-44.2	176.7	-174.7	60.9	0	0	0	111.1	R93 L94 T95 E99 K100 R101 T129	R93-L97 WeakPolarHBondContact O-CB 3.49Å; R93-L97 PolarHBondContact O-N 3.31Å; L94-L97 PolarHBondContact O-N 3.17Å; T95-L97 VanDerWaalsContact C-N 3.35Å; L97-E99 PolarHBondContact O-N 3.12Å; L97-K100 PolarHBondContact O-N 2.98Å; L97-R101 HydrophobicContact CD1-CG 4.2Å; L97-R101 HydrophobicContact CG-CG 4.38Å; L97-R101 WeakPolarHBondContact O-CG 3.38Å; L97-R101 PolarHBondContact O-N 2.93Å; L97-T129 HydrophobicContact CB-CG2 4.25Å; L97-T129 HydrophobicContact CD2-CG2 4Å; L97-T129 HydrophobicContact CG-CG2 3.79Å
98	L	98.3	Very high	96.7	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-55.9	-49.2	174.3	177.4	65.6	0	0	0	111.6	L94 T95 K100 R101 A102 L126 T129 L130 M133 L155 L156 L159	L94-L98 PolarHBondContact O-N 3.02Å; T95-L98 PolarHBondContact O-N 3.35Å; L98-K100 VanDerWaalsContact C-N 3.33Å; L98-K100 PolarHBondContact O-N 2.8Å; L98-R101 PolarHBondContact O-N 2.92Å; L98-A102 VanDerWaalsContact O-CB 3.29Å; L98-A102 WeakPolarHBondContact O-CB 3.44Å; L98-A102 PolarHBondContact O-N 3.18Å; L98-L126 HydrophobicContact CD1-CD1 3.89Å; L98-T129 HydrophobicContact CB-CG2 4.33Å; L98-L130 HydrophobicContact CD1-CD2 3.81Å; L98-L130 HydrophobicContact CD1-CG 4.47Å; L98-M133 HydrophobicContact CB-SD 3.87Å; L98-M133 HydrophobicContact CD1-SD 4.32Å; L98-M133 HydrophobicContact CD2-CE 4.12Å; L98-M133 HydrophobicContact CD2-SD 3.92Å; L98-M133 HydrophobicContact CG-SD 4.25Å; L98-L155 HydrophobicContact CG-CD2 4.35Å; L98-L156 HydrophobicContact CD2-CB 4.07Å; L98-L156 HydrophobicContact CD2-CD1 4.32Å; L98-L159 HydrophobicContact CD1-CD1 4.11Å
99	E	97.9	Very high	96.7	Very high	42 Å²	42	48.3 Å²	48.3	20%	0.196	24%	0.238	C	C	.	.	H	α-helix	trans	-57.6	-45.7	177.7	-73.2	-175.2	115.1	0	0	111.9	T95 V96 L97 L103 R151 P152 L155	T95-E99 PolarHBondContact O-N 2.9Å; V96-E99 PolarHBondContact O-N 2.78Å; L97-E99 PolarHBondContact O-N 3.12Å; E99-L103 VanDerWaalsContact O-CB 3.32Å; E99-L103 WeakPolarHBondContact O-CB 3.41Å; E99-L103 PolarHBondContact O-N 3.04Å; E99-R151 WeakPolarHBondContact OE1-CD 3.43Å; E99-R151 WeakPolarHBondContact OE1-CG 3.16Å; E99-R151 IonicContact OE1-CZ 3.2Å; E99-R151 IonicContact OE1-NE 2.71Å; E99-R151 PolarHBondContact OE1-NE 2.96Å; E99-R151 IonicContact OE1-NH1 2.64Å; E99-R151 PolarHBondContact OE1-NH1 3.39Å; E99-P152 HydrophobicContact CG-CB 4.4Å; E99-P152 HydrophobicContact CG-CG 3.96Å; E99-L155 HydrophobicContact CB-CD2 4.32Å; E99-L155 HydrophobicContact CG-CD2 4Å
100	K	98	Very high	96.8	Very high	118 Å²	118	48.6 Å²	48.6	51%	0.513	24%	0.24	S	C	.	.	H	α-helix	trans	-63.4	-45.9	179.9	-175.2	179.6	179.3	-179.8	0	111.9	V96 L97 L98 S104	V96-K100 PolarHBondContact O-N 2.82Å; L97-K100 PolarHBondContact O-N 2.98Å; L98-K100 VanDerWaalsContact C-N 3.33Å; L98-K100 PolarHBondContact O-N 2.8Å; K100-S104 WeakPolarHBondContact O-CB 3.28Å; K100-S104 PolarHBondContact O-N 3.31Å
101	R	97.9	Very high	96.8	Very high	42 Å²	42	54.4 Å²	54.4	16%	0.158	27%	0.265	C	S	.	.	H	α-helix	trans	-70.4	-41	-178.1	-64.8	-62.4	-164.6	165.4	6.7	112	L97 L98 S104 N105 E125 L126 T129	L97-R101 HydrophobicContact CD1-CG 4.2Å; L97-R101 HydrophobicContact CG-CG 4.38Å; L97-R101 WeakPolarHBondContact O-CG 3.38Å; L97-R101 PolarHBondContact O-N 2.93Å; L98-R101 PolarHBondContact O-N 2.92Å; R101-S104 PolarHBondContact O-N 3.39Å; R101-N105 WeakPolarHBondContact O-CB 3.15Å; R101-N105 PolarHBondContact O-N 2.9Å; R101-E125 IonicContact CZ-OE2 3.92Å; R101-E125 VanDerWaalsContact NH1-CG 3.25Å; R101-E125 IonicContact NH1-OE1 3.67Å; R101-E125 IonicContact NH1-OE2 3.29Å; R101-E125 PolarHBondContact NH1-OE2 3.37Å; R101-L126 HydrophobicContact CB-CB 4.4Å; R101-L126 HydrophobicContact CB-CD1 4.02Å; R101-T129 WeakPolarHBondContact CG-OG1 3.38Å
102	A	97.4	Very high	96.6	Very high	6 Å²	6	57.2 Å²	57.2	5%	0.05	28%	0.277	C	S	.	.	H	α-helix	trans	-64.9	-41.6	177	0	0	0	0	0	111.8	L98 N105 Q106 L126 L155	L98-A102 VanDerWaalsContact O-CB 3.29Å; L98-A102 WeakPolarHBondContact O-CB 3.44Å; L98-A102 PolarHBondContact O-N 3.18Å; A102-N105 PolarHBondContact O-N 2.92Å; A102-Q106 WeakPolarHBondContact O-CB 3.27Å; A102-Q106 PolarHBondContact O-N 3.48Å; A102-L126 HydrophobicContact CB-CD1 4.21Å; A102-L155 HydrophobicContact CB-CD1 3.96Å; A102-L155 HydrophobicContact CB-CD2 3.69Å; A102-L155 HydrophobicContact CB-CG 4.1Å
103	L	96.7	Very high	96.4	Very high	90 Å²	90	56.4 Å²	56.4	47%	0.471	29%	0.285	S	S	.	.	H	α-helix	trans	-64.1	-46.4	175.4	-177.5	64.5	0	0	0	111.5	E99 N105 Q106 E107	E99-L103 VanDerWaalsContact O-CB 3.32Å; E99-L103 WeakPolarHBondContact O-CB 3.41Å; E99-L103 PolarHBondContact O-N 3.04Å; L103-N105 VanDerWaalsContact C-N 3.3Å; L103-N105 PolarHBondContact O-N 3.44Å; L103-Q106 PolarHBondContact O-N 3.05Å; L103-E107 WeakPolarHBondContact O-CG 3.44Å; L103-E107 PolarHBondContact O-N 3.44Å
104	S	97.3	Very high	96.1	Very high	52 Å²	52	60 Å²	60	36%	0.364	31%	0.309	S	S	.	.	H	α-helix	trans	-56.5	-44.8	175.7	-178	0	0	0	0	111.7	K100 R101 E107 A108	K100-S104 WeakPolarHBondContact O-CB 3.28Å; K100-S104 PolarHBondContact O-N 3.31Å; R101-S104 PolarHBondContact O-N 3.39Å; S104-E107 PolarHBondContact O-N 3.26Å; S104-A108 WeakPolarHBondContact O-CB 3.48Å; S104-A108 PolarHBondContact O-N 2.78Å
105	N	97.1	Very high	95.9	Very high	4 Å²	4	64.5 Å²	64.5	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-61.2	-49.7	175.6	-179.6	-87.5	0	0	0	112.1	R101 A102 L103 E107 A108 R109 S122 E123 L126 H162	R101-N105 WeakPolarHBondContact O-CB 3.15Å; R101-N105 PolarHBondContact O-N 2.9Å; A102-N105 PolarHBondContact O-N 2.92Å; L103-N105 VanDerWaalsContact C-N 3.3Å; L103-N105 PolarHBondContact O-N 3.44Å; N105-E107 VanDerWaalsContact C-N 3.31Å; N105-E107 PolarHBondContact O-N 3.29Å; N105-A108 PolarHBondContact O-N 2.83Å; N105-A108 VanDerWaalsContact O-N 3.15Å; N105-R109 WeakPolarHBondContact O-CG 3.34Å; N105-R109 PolarHBondContact O-N 3.08Å; N105-S122 PolarHBondContact ND2-O 3.49Å; N105-S122 PolarHBondContact ND2-OG 3.45Å; N105-E123 WeakPolarHBondContact ND2-CG 3.27Å; N105-E123 PolarHBondContact ND2-N 2.59Å; N105-L126 HydrophobicContact CB-CD2 4.26Å; N105-H162 PolarHBondContact OD1-NE2 2.88Å
106	Q	96	Very high	95.6	Very high	122 Å²	122	68.3 Å²	68.3	57%	0.57	36%	0.355	S	S	*	.	H	α-helix	trans	-59.5	-42.2	179.2	-174.1	177.6	27	0	0	112	A102 L103 T110	A102-Q106 WeakPolarHBondContact O-CB 3.27Å; A102-Q106 PolarHBondContact O-N 3.48Å; L103-Q106 PolarHBondContact O-N 3.05Å; Q106-T110 WeakPolarHBondContact O-CB 3.42Å; Q106-T110 PolarHBondContact O-N 3.35Å; Q106-T110 PolarHBondContact O-OG1 3.09Å
107	E	96.7	Very high	95.4	Very high	87 Å²	87	73.3 Å²	73.3	41%	0.407	37%	0.371	S	S	.	.	H	α-helix	trans	-63.7	-44.4	175	-75.4	-171	-164.8	0	0	112.2	L103 S104 N105 R109 T110 K111	L103-E107 WeakPolarHBondContact O-CG 3.44Å; L103-E107 PolarHBondContact O-N 3.44Å; S104-E107 PolarHBondContact O-N 3.26Å; N105-E107 VanDerWaalsContact C-N 3.31Å; N105-E107 PolarHBondContact O-N 3.29Å; E107-R109 VanDerWaalsContact C-N 3.35Å; E107-R109 PolarHBondContact O-N 3.12Å; E107-T110 PolarHBondContact O-N 3.31Å; E107-K111 WeakPolarHBondContact O-CB 3.32Å; E107-K111 VanDerWaalsContact O-CG 3.26Å; E107-K111 WeakPolarHBondContact O-CG 3.34Å; E107-K111 PolarHBondContact O-N 2.9Å; E107-K111 IonicContact OE2-NZ 3.25Å; E107-K111 PolarHBondContact OE2-NZ 3.49Å
108	A	95.5	Very high	95.2	Very high	16 Å²	16	79.7 Å²	79.7	13%	0.132	39%	0.393	C	S	.	.	H	α-helix	trans	-62.6	-42.3	179.1	0	0	0	0	0	111.4	S104 N105 K111 F112 F119	S104-A108 WeakPolarHBondContact O-CB 3.48Å; S104-A108 PolarHBondContact O-N 2.78Å; N105-A108 PolarHBondContact O-N 2.83Å; N105-A108 VanDerWaalsContact O-N 3.15Å; A108-K111 PolarHBondContact O-N 3.14Å; A108-F112 WeakPolarHBondContact O-CB 3.33Å; A108-F112 WeakPolarHBondContact O-CD2 3.4Å; A108-F112 PolarHBondContact O-N 3.31Å; A108-F119 HydrophobicContact CB-CB 3.64Å
109	R	94.8	Very high	95	Very high	44 Å²	44	79.9 Å²	79.9	17%	0.166	39%	0.394	C	S	.	.	H	α-helix	trans	-64.2	-40.8	173.7	-67.8	-172.6	73.7	85.2	8.8	112.2	N105 E107 F112 P113 F119 E123 E163	N105-R109 WeakPolarHBondContact O-CG 3.34Å; N105-R109 PolarHBondContact O-N 3.08Å; E107-R109 VanDerWaalsContact C-N 3.35Å; E107-R109 PolarHBondContact O-N 3.12Å; R109-F112 CarbonylContact O-C 3.41Å; R109-F112 PolarHBondContact O-N 2.96Å; R109-P113 VanDerWaalsContact O-CA 3.23Å; R109-P113 WeakPolarHBondContact O-CA 3.49Å; R109-P113 VanDerWaalsContact O-N 3.1Å; R109-F119 HydrophobicContact CB-CD1 4.48Å; R109-F119 HydrophobicContact CG-CB 4.24Å; R109-F119 HydrophobicContact CG-CD1 4.06Å; R109-F119 HydrophobicContact CG-CD2 4.05Å; R109-F119 HydrophobicContact CG-CE1 4.32Å; R109-F119 HydrophobicContact CG-CE2 4.35Å; R109-F119 HydrophobicContact CG-CG 3.88Å; R109-F119 HydrophobicContact CG-CZ 4.43Å; R109-E123 IonicContact CZ-OE1 2.77Å; R109-E123 IonicContact NH1-OE1 3.21Å; R109-E123 PolarHBondContact NH1-OE1 2.94Å; R109-E163 IonicContact CZ-OE2 3.28Å; R109-E163 IonicContact NE-OE2 3.8Å; R109-E163 IonicContact NH2-OE2 3.56Å; R109-E163 PolarHBondContact NH2-OE2 3.41Å
110	T	95.2	Very high	94.8	Very high	108 Å²	108	82.9 Å²	82.9	66%	0.663	41%	0.409	S	S	*	.	H	α-helix	trans	-67	-39	177.8	-56.7	0	0	0	0	112	Q106 E107	Q106-T110 WeakPolarHBondContact O-CB 3.42Å; Q106-T110 PolarHBondContact O-N 3.35Å; Q106-T110 PolarHBondContact O-OG1 3.09Å; E107-T110 PolarHBondContact O-N 3.31Å
111	K	95.1	Very high	94.7	Very high	131 Å²	131	82.3 Å²	82.3	57%	0.57	41%	0.409	S	S	*	.	H	α-helix	trans	-72.4	-31.7	178.4	-73.1	165.7	-177.4	159.4	0	112.2	E107 A108	E107-K111 WeakPolarHBondContact O-CB 3.32Å; E107-K111 VanDerWaalsContact O-CG 3.26Å; E107-K111 WeakPolarHBondContact O-CG 3.34Å; E107-K111 PolarHBondContact O-N 2.9Å; E107-K111 IonicContact OE2-NZ 3.25Å; E107-K111 PolarHBondContact OE2-NZ 3.49Å; A108-K111 PolarHBondContact O-N 3.14Å
112	F	93.4	Very high	94.6	Very high	61 Å²	61	80.8 Å²	80.8	27%	0.268	40%	0.404	S	S	.	.			trans	-134.4	57.1	-171.9	-53.9	-63.6	0	0	0	113	A108 R109 D114 Q115 R118 F119	A108-F112 WeakPolarHBondContact O-CB 3.33Å; A108-F112 WeakPolarHBondContact O-CD2 3.4Å; A108-F112 PolarHBondContact O-N 3.31Å; R109-F112 CarbonylContact O-C 3.41Å; R109-F112 PolarHBondContact O-N 2.96Å; F112-D114 VanDerWaalsContact C-N 3.34Å; F112-D114 PolarHBondContact O-N 3.21Å; F112-Q115 HydrophobicContact CB-CB 4.22Å; F112-Q115 PolarHBondContact O-N 3.34Å; F112-R118 HydrophobicContact CB-CB 3.92Å; F112-R118 HydrophobicContact CD1-CB 4.5Å; F112-R118 HydrophobicContact CD2-CB 3.78Å; F112-R118 HydrophobicContact CE2-CB 4.43Å; F112-R118 HydrophobicContact CG-CB 3.82Å; F112-R118 HydrophobicContact CG-CG 4.32Å; F112-F119 WeakPolarHBondContact O-CD1 3.45Å; F112-F119 VanDerWaalsContact O-CE1 3.32Å; F112-F119 WeakPolarHBondContact O-CE1 3.41Å
113	P	90.1	Very high	94.5	Very high	83 Å²	83	81.3 Å²	81.3	54%	0.539	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-41.2	-169	21.8	-33.6	0	0	0	113.5	R109	R109-P113 VanDerWaalsContact O-CA 3.23Å; R109-P113 WeakPolarHBondContact O-CA 3.49Å; R109-P113 VanDerWaalsContact O-N 3.1Å
114	D	92.3	Very high	94.6	Very high	151 Å²	151	80.6 Å²	80.6	81%	0.807	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	11	-178	-55.6	-52.2	0	0	0	113.7	F112 P116	F112-D114 VanDerWaalsContact C-N 3.34Å; F112-D114 PolarHBondContact O-N 3.21Å; D114-P116 VanDerWaalsContact C-CD 3.5Å; D114-P116 WeakPolarHBondContact O-CD 3.23Å
115	Q	92.7	Very high	94.6	Very high	95 Å²	95	80.1 Å²	80.1	44%	0.444	39%	0.394	S	S	.	.			trans	-125.4	75.8	-176	-56.5	179.3	32.7	0	0	111.9	F112 K117 R118	F112-Q115 HydrophobicContact CB-CB 4.22Å; F112-Q115 PolarHBondContact O-N 3.34Å; Q115-K117 PolarHBondContact O-N 2.91Å; Q115-R118 HydrophobicContact CB-CB 4.34Å; Q115-R118 HydrophobicContact CB-CG 4.17Å; Q115-R118 WeakPolarHBondContact O-CB 3.28Å; Q115-R118 PolarHBondContact O-N 3.46Å; Q115-R118 VanDerWaalsContact OE1-CD 3.23Å
116	P	90.9	Very high	94.6	Very high	81 Å²	81	80 Å²	80	53%	0.526	39%	0.393	S	S	.	.	H	α-helix	trans	-51.5	-36.6	-179.3	-28.4	34.9	0	0	0	115	D114 R118 F119 M120	D114-P116 VanDerWaalsContact C-CD 3.5Å; D114-P116 WeakPolarHBondContact O-CD 3.23Å; P116-R118 PolarHBondContact O-N 2.9Å; P116-R118 VanDerWaalsContact O-N 3.1Å; P116-F119 HydrophobicContact CB-CE2 4.04Å; P116-F119 HydrophobicContact CB-CZ 3.88Å; P116-F119 HydrophobicContact CG-CZ 4.05Å; P116-F119 PolarHBondContact O-N 3.35Å; P116-M120 WeakPolarHBondContact O-CB 3.35Å; P116-M120 PolarHBondContact O-N 3.17Å
117	K	93.5	Very high	94.7	Very high	188 Å²	188	76 Å²	76	82%	0.817	38%	0.375	S	S	*	.	H	α-helix	trans	-59	-25.1	177.2	-63.8	-175.2	179.1	-177.9	0	113.8	Q115	Q115-K117 PolarHBondContact O-N 2.91Å
118	R	92.1	Very high	94.8	Very high	152 Å²	152	76.3 Å²	76.3	57%	0.574	38%	0.376	S	S	*	.	H	α-helix	trans	-83.8	-28.3	-179.1	-73.4	-158.3	177.3	-143.1	-2.6	113.8	F112 Q115 P116	F112-R118 HydrophobicContact CB-CB 3.92Å; F112-R118 HydrophobicContact CD1-CB 4.5Å; F112-R118 HydrophobicContact CD2-CB 3.78Å; F112-R118 HydrophobicContact CE2-CB 4.43Å; F112-R118 HydrophobicContact CG-CB 3.82Å; F112-R118 HydrophobicContact CG-CG 4.32Å; Q115-R118 HydrophobicContact CB-CB 4.34Å; Q115-R118 HydrophobicContact CB-CG 4.17Å; Q115-R118 WeakPolarHBondContact O-CB 3.28Å; Q115-R118 PolarHBondContact O-N 3.46Å; Q115-R118 VanDerWaalsContact OE1-CD 3.23Å; P116-R118 PolarHBondContact O-N 2.9Å; P116-R118 VanDerWaalsContact O-N 3.1Å
119	F	94	Very high	94.9	Very high	5 Å²	5	75.7 Å²	75.7	2%	0.022	37%	0.37	C	S	.	.	H	α-helix	trans	-102.8	-4.4	176	57.3	-112.2	0	0	0	113.2	A108 R109 F112 P116 Q121 S122 E123	A108-F119 HydrophobicContact CB-CB 3.64Å; R109-F119 HydrophobicContact CB-CD1 4.48Å; R109-F119 HydrophobicContact CG-CB 4.24Å; R109-F119 HydrophobicContact CG-CD1 4.06Å; R109-F119 HydrophobicContact CG-CD2 4.05Å; R109-F119 HydrophobicContact CG-CE1 4.32Å; R109-F119 HydrophobicContact CG-CE2 4.35Å; R109-F119 HydrophobicContact CG-CG 3.88Å; R109-F119 HydrophobicContact CG-CZ 4.43Å; F112-F119 WeakPolarHBondContact O-CD1 3.45Å; F112-F119 VanDerWaalsContact O-CE1 3.32Å; F112-F119 WeakPolarHBondContact O-CE1 3.41Å; P116-F119 HydrophobicContact CB-CE2 4.04Å; P116-F119 HydrophobicContact CB-CZ 3.88Å; P116-F119 HydrophobicContact CG-CZ 4.05Å; P116-F119 PolarHBondContact O-N 3.35Å; F119-Q121 VanDerWaalsContact C-N 3.29Å; F119-Q121 PolarHBondContact O-N 2.91Å; F119-S122 PolarHBondContact O-N 3.48Å; F119-S122 PolarHBondContact O-OG 2.91Å; F119-E123 HydrophobicContact CD2-CG 4.18Å; F119-E123 WeakPolarHBondContact CE2-OE1 3.37Å; F119-E123 PolarHBondContact O-N 3.38Å; F119-E123 VanDerWaalsContact O-N 3.08Å
120	M	93.9	Very high	95.1	Very high	104 Å²	104	73.6 Å²	73.6	51%	0.512	36%	0.362	S	S	.	.	H	α-helix	trans	-50.4	-44.5	177.6	-173.9	-179.1	74.9	0	0	113.4	P116 S122 E123 L124	P116-M120 WeakPolarHBondContact O-CB 3.35Å; P116-M120 PolarHBondContact O-N 3.17Å; M120-S122 VanDerWaalsContact C-N 3.32Å; M120-S122 PolarHBondContact O-N 3.45Å; M120-E123 WeakPolarHBondContact O-CB 3.49Å; M120-E123 PolarHBondContact O-N 3.1Å; M120-E123 VanDerWaalsContact O-N 3.11Å; M120-L124 PolarHBondContact O-N 3.3Å
121	Q	95.3	Very high	95.2	Very high	107 Å²	107	74.7 Å²	74.7	50%	0.5	36%	0.36	S	S	.	.	H	α-helix	trans	-61.4	-41.1	178.3	-177.3	58.4	34.5	0	0	111.9	F119 E123 L124 E125	F119-Q121 VanDerWaalsContact C-N 3.29Å; F119-Q121 PolarHBondContact O-N 2.91Å; Q121-E123 VanDerWaalsContact C-N 3.27Å; Q121-E123 PolarHBondContact O-N 3.15Å; Q121-L124 PolarHBondContact O-N 3.3Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.31Å; Q121-E125 PolarHBondContact NE2-OE1 2.87Å; Q121-E125 VanDerWaalsContact O-CG 3.24Å; Q121-E125 WeakPolarHBondContact O-CG 3.45Å; Q121-E125 PolarHBondContact O-N 3.47Å
122	S	96.4	Very high	95.2	Very high	9 Å²	9	70 Å²	70	6%	0.063	34%	0.34	C	S	.	.	H	α-helix	trans	-70.3	-22.7	176.9	67.6	0	0	0	0	113.3	N105 F119 M120 L126	N105-S122 PolarHBondContact ND2-O 3.49Å; N105-S122 PolarHBondContact ND2-OG 3.45Å; F119-S122 PolarHBondContact O-N 3.48Å; F119-S122 PolarHBondContact O-OG 2.91Å; M120-S122 VanDerWaalsContact C-N 3.32Å; M120-S122 PolarHBondContact O-N 3.45Å; S122-L126 WeakPolarHBondContact O-CB 3.48Å; S122-L126 PolarHBondContact O-N 3.39Å
123	E	96.5	Very high	95.4	Very high	17 Å²	17	67.4 Å²	67.4	8%	0.079	33%	0.329	C	S	.	.	H	α-helix	trans	-73.7	-47.8	171.6	-69.9	-170.7	161.7	0	0	111	N105 R109 F119 M120 Q121 E125 L126 Q127 H162 N164 I167	N105-E123 WeakPolarHBondContact ND2-CG 3.27Å; N105-E123 PolarHBondContact ND2-N 2.59Å; R109-E123 IonicContact CZ-OE1 2.77Å; R109-E123 IonicContact NH1-OE1 3.21Å; R109-E123 PolarHBondContact NH1-OE1 2.94Å; F119-E123 HydrophobicContact CD2-CG 4.18Å; F119-E123 WeakPolarHBondContact CE2-OE1 3.37Å; F119-E123 PolarHBondContact O-N 3.38Å; F119-E123 VanDerWaalsContact O-N 3.08Å; M120-E123 WeakPolarHBondContact O-CB 3.49Å; M120-E123 PolarHBondContact O-N 3.1Å; M120-E123 VanDerWaalsContact O-N 3.11Å; Q121-E123 VanDerWaalsContact C-N 3.27Å; Q121-E123 PolarHBondContact O-N 3.15Å; E123-E125 VanDerWaalsContact C-N 3.32Å; E123-E125 PolarHBondContact O-N 2.84Å; E123-L126 WeakPolarHBondContact O-CB 3.15Å; E123-L126 PolarHBondContact O-N 3.42Å; E123-L126 VanDerWaalsContact O-N 3.13Å; E123-Q127 WeakPolarHBondContact O-CG 3.25Å; E123-Q127 PolarHBondContact O-N 3.36Å; E123-H162 IonicContact OE1-CE1 2.74Å; E123-N164 PolarHBondContact OE2-ND2 3.47Å; E123-I167 HydrophobicContact CB-CD1 3.96Å; E123-I167 HydrophobicContact CG-CD1 3.75Å
124	L	97	Very high	95.7	Very high	76 Å²	76	66.1 Å²	66.1	40%	0.398	32%	0.316	S	S	.	.	H	α-helix	trans	-57.4	-46	176.9	-67.9	174.4	0	0	0	111.5	M120 Q121 L126 Q127 E128	M120-L124 PolarHBondContact O-N 3.3Å; Q121-L124 PolarHBondContact O-N 3.3Å; L124-L126 VanDerWaalsContact C-N 3.29Å; L124-L126 PolarHBondContact O-N 2.87Å; L124-Q127 PolarHBondContact O-N 2.88Å; L124-E128 WeakPolarHBondContact O-CG 3.4Å; L124-E128 PolarHBondContact O-N 2.88Å
125	E	97.9	Very high	95.9	Very high	42 Å²	42	60.2 Å²	60.2	20%	0.196	29%	0.285	C	S	.	.	H	α-helix	trans	-64	-32.8	178.2	-71.8	172	-179.5	0	0	113.6	R101 Q121 E123 T129	R101-E125 IonicContact CZ-OE2 3.92Å; R101-E125 VanDerWaalsContact NH1-CG 3.25Å; R101-E125 IonicContact NH1-OE1 3.67Å; R101-E125 IonicContact NH1-OE2 3.29Å; R101-E125 PolarHBondContact NH1-OE2 3.37Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.31Å; Q121-E125 PolarHBondContact NE2-OE1 2.87Å; Q121-E125 VanDerWaalsContact O-CG 3.24Å; Q121-E125 WeakPolarHBondContact O-CG 3.45Å; Q121-E125 PolarHBondContact O-N 3.47Å; E123-E125 VanDerWaalsContact C-N 3.32Å; E123-E125 PolarHBondContact O-N 2.84Å; E125-T129 PolarHBondContact O-N 2.97Å; E125-T129 PolarHBondContact O-OG1 3.39Å
126	L	98.2	Very high	96	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-70.8	-42.6	174.4	177.8	58.7	0	0	0	110.5	L98 R101 A102 N105 S122 E123 L124 T129 L130 L159 I167	L98-L126 HydrophobicContact CD1-CD1 3.89Å; R101-L126 HydrophobicContact CB-CB 4.4Å; R101-L126 HydrophobicContact CB-CD1 4.02Å; A102-L126 HydrophobicContact CB-CD1 4.21Å; N105-L126 HydrophobicContact CB-CD2 4.26Å; S122-L126 WeakPolarHBondContact O-CB 3.48Å; S122-L126 PolarHBondContact O-N 3.39Å; E123-L126 WeakPolarHBondContact O-CB 3.15Å; E123-L126 PolarHBondContact O-N 3.42Å; E123-L126 VanDerWaalsContact O-N 3.13Å; L124-L126 VanDerWaalsContact C-N 3.29Å; L124-L126 PolarHBondContact O-N 2.87Å; L126-T129 WeakPolarHBondContact O-CB 3.27Å; L126-T129 PolarHBondContact O-N 3.35Å; L126-L130 HydrophobicContact CG-CD1 4.38Å; L126-L130 WeakPolarHBondContact O-CG 3.39Å; L126-L130 PolarHBondContact O-N 2.98Å; L126-L159 HydrophobicContact CD1-CD1 4.16Å; L126-L159 HydrophobicContact CD2-CD1 4.28Å; L126-L159 HydrophobicContact CD2-CD2 4.07Å; L126-I167 HydrophobicContact CD2-CD1 4.03Å; L126-I167 HydrophobicContact CD2-CG1 4.45Å; L126-I167 HydrophobicContact CD2-CG2 4.07Å
127	Q	97.7	Very high	96.2	Very high	39 Å²	39	52.5 Å²	52.5	18%	0.182	24%	0.244	C	C	.	.	H	α-helix	trans	-63.7	-45.6	176.3	-69.2	-179.3	-66.7	0	0	112.2	E123 L124 T129 L130 E131 D166 I167	E123-Q127 WeakPolarHBondContact O-CG 3.25Å; E123-Q127 PolarHBondContact O-N 3.36Å; L124-Q127 PolarHBondContact O-N 2.88Å; Q127-T129 PolarHBondContact O-N 2.99Å; Q127-L130 WeakPolarHBondContact O-CB 3.26Å; Q127-L130 PolarHBondContact O-N 3.18Å; Q127-L130 VanDerWaalsContact O-N 3.08Å; Q127-E131 PolarHBondContact O-N 3.06Å; Q127-D166 VanDerWaalsContact NE2-C 3.34Å; Q127-D166 PolarHBondContact NE2-O 2.97Å; Q127-I167 HydrophobicContact CG-CG1 3.83Å
128	E	97.9	Very high	96.2	Very high	94 Å²	94	46.5 Å²	46.5	44%	0.439	23%	0.229	S	C	.	.	H	α-helix	trans	-56.5	-37.4	174.3	-74.2	173.7	-179.7	0	0	111.6	L124 E131 E132	L124-E128 WeakPolarHBondContact O-CG 3.4Å; L124-E128 PolarHBondContact O-N 2.88Å; E128-E131 PolarHBondContact O-N 3.25Å; E128-E132 WeakPolarHBondContact O-CB 3.32Å; E128-E132 PolarHBondContact O-N 2.97Å
129	T	98	Very high	96.2	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.012	21%	0.208	C	C	.	.	H	α-helix	trans	-69.9	-40.9	176.8	-59.4	0	0	0	0	111.8	L97 L98 R101 E125 L126 Q127 E131 E132 M133	L97-T129 HydrophobicContact CB-CG2 4.25Å; L97-T129 HydrophobicContact CD2-CG2 4Å; L97-T129 HydrophobicContact CG-CG2 3.79Å; L98-T129 HydrophobicContact CB-CG2 4.33Å; R101-T129 WeakPolarHBondContact CG-OG1 3.38Å; E125-T129 PolarHBondContact O-N 2.97Å; E125-T129 PolarHBondContact O-OG1 3.39Å; L126-T129 WeakPolarHBondContact O-CB 3.27Å; L126-T129 PolarHBondContact O-N 3.35Å; Q127-T129 PolarHBondContact O-N 2.99Å; T129-E131 VanDerWaalsContact C-N 3.32Å; T129-E132 PolarHBondContact O-N 2.97Å; T129-M133 VanDerWaalsContact O-CG 3.26Å; T129-M133 WeakPolarHBondContact O-CG 3.43Å; T129-M133 PolarHBondContact O-N 2.9Å
130	L	98.3	Very high	96.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.8	-38.5	175.4	-69.2	168.1	0	0	0	111.6	L98 L126 Q127 M133 L156 I167 V171 L174	L98-L130 HydrophobicContact CD1-CD2 3.81Å; L98-L130 HydrophobicContact CD1-CG 4.47Å; L126-L130 HydrophobicContact CG-CD1 4.38Å; L126-L130 WeakPolarHBondContact O-CG 3.39Å; L126-L130 PolarHBondContact O-N 2.98Å; Q127-L130 WeakPolarHBondContact O-CB 3.26Å; Q127-L130 PolarHBondContact O-N 3.18Å; Q127-L130 VanDerWaalsContact O-N 3.08Å; L130-M133 PolarHBondContact O-N 2.95Å; L130-L156 HydrophobicContact CD2-CD1 3.46Å; L130-L156 VanDerWaalsContact CD2-CD1 3.46Å; L130-I167 HydrophobicContact CD1-CG2 4.31Å; L130-V171 HydrophobicContact CD1-CG2 3.84Å; L130-V171 HydrophobicContact CD2-CG2 4.07Å; L130-L174 HydrophobicContact CD2-CD2 4.12Å
131	E	97.6	Very high	96.1	Very high	131 Å²	131	39.9 Å²	39.9	61%	0.612	21%	0.205	S	C	*	.	H	α-helix	trans	-66.5	-46.2	173.7	-171.1	178.1	-178.8	0	0	111.3	Q127 E128 T129 M133 Q134	Q127-E131 PolarHBondContact O-N 3.06Å; E128-E131 PolarHBondContact O-N 3.25Å; T129-E131 VanDerWaalsContact C-N 3.32Å; E131-M133 PolarHBondContact O-N 3.32Å; E131-Q134 VanDerWaalsContact O-CB 3.28Å; E131-Q134 WeakPolarHBondContact O-CB 3.44Å; E131-Q134 WeakPolarHBondContact O-CG 3.26Å; E131-Q134 PolarHBondContact O-N 3.4Å
132	E	96.6	Very high	96	Very high	33 Å²	33	36 Å²	36	15%	0.154	19%	0.188	C	C	.	.	H	α-helix	trans	-59.7	-34.5	176.4	-167.1	-177.6	161	0	0	111.7	T79 R93 L94 E128 T129 Q134 V135	T79-E132 VanDerWaalsContact O-OE1 3.12Å; R93-E132 IonicContact CZ-OE1 3.45Å; R93-E132 IonicContact NH1-OE1 3.01Å; R93-E132 IonicContact NH2-OE1 2.73Å; R93-E132 PolarHBondContact NH2-OE1 3.42Å; L94-E132 HydrophobicContact CD2-CB 4.29Å; L94-E132 HydrophobicContact CD2-CG 3.8Å; E128-E132 WeakPolarHBondContact O-CB 3.32Å; E128-E132 PolarHBondContact O-N 2.97Å; T129-E132 PolarHBondContact O-N 2.97Å; E132-Q134 PolarHBondContact O-N 3.04Å; E132-V135 VanDerWaalsContact O-CG1 3.25Å; E132-V135 WeakPolarHBondContact O-CG1 3.16Å; E132-V135 PolarHBondContact O-N 2.91Å
133	M	97.6	Very high	96	Very high	7 Å²	7	35.7 Å²	35.7	3%	0.034	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-64.8	-19.7	176.6	-76.9	-177.8	77.5	0	0	114.3	L94 L98 T129 L130 E131 V135 L136 L174	L94-M133 HydrophobicContact CB-CG 4Å; L94-M133 HydrophobicContact CD1-CG 4.49Å; L94-M133 HydrophobicContact CD2-CG 4.34Å; L98-M133 HydrophobicContact CB-SD 3.87Å; L98-M133 HydrophobicContact CD1-SD 4.32Å; L98-M133 HydrophobicContact CD2-CE 4.12Å; L98-M133 HydrophobicContact CD2-SD 3.92Å; L98-M133 HydrophobicContact CG-SD 4.25Å; T129-M133 VanDerWaalsContact O-CG 3.26Å; T129-M133 WeakPolarHBondContact O-CG 3.43Å; T129-M133 PolarHBondContact O-N 2.9Å; L130-M133 PolarHBondContact O-N 2.95Å; E131-M133 PolarHBondContact O-N 3.32Å; M133-V135 PolarHBondContact O-N 3.3Å; M133-V135 VanDerWaalsContact O-N 3.17Å; M133-L136 HydrophobicContact CE-CD1 4.42Å; M133-L136 VanDerWaalsContact O-CB 3.29Å; M133-L136 WeakPolarHBondContact O-CB 3.37Å; M133-L136 VanDerWaalsContact O-CG 3.25Å; M133-L136 WeakPolarHBondContact O-CG 3.32Å; M133-L136 PolarHBondContact O-N 3.46Å; M133-L136 VanDerWaalsContact O-N 3.1Å; M133-L174 HydrophobicContact CB-CD1 3.84Å; M133-L174 HydrophobicContact CB-CD2 3.76Å; M133-L174 HydrophobicContact CB-CG 4.49Å; M133-L174 HydrophobicContact CE-CD2 4.33Å; M133-L174 HydrophobicContact SD-CD2 4.27Å
134	Q	96.4	Very high	96	Very high	56 Å²	56	36.7 Å²	36.7	26%	0.262	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-63	-23.1	179.3	-65.8	176.7	-5.8	0	0	112.5	E131 E132 L136 A137 L174 E177	E131-Q134 VanDerWaalsContact O-CB 3.28Å; E131-Q134 WeakPolarHBondContact O-CB 3.44Å; E131-Q134 WeakPolarHBondContact O-CG 3.26Å; E131-Q134 PolarHBondContact O-N 3.4Å; E132-Q134 PolarHBondContact O-N 3.04Å; Q134-L136 PolarHBondContact O-N 3.44Å; Q134-A137 WeakPolarHBondContact O-CB 3.48Å; Q134-A137 PolarHBondContact O-N 3.34Å; Q134-L174 HydrophobicContact CB-CD1 4.35Å; Q134-L174 HydrophobicContact CG-CB 4.36Å; Q134-L174 HydrophobicContact CG-CD1 3.83Å; Q134-E177 HydrophobicContact CG-CG 4.5Å
135	V	95.4	Very high	95.9	Very high	27 Å²	27	34.3 Å²	34.3	16%	0.164	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-56.7	-22.7	174.9	80.5	0	0	0	0	113	A83 V86 L94 E132 M133 A137 A138	A83-V135 HydrophobicContact CB-CG2 4.35Å; V86-V135 HydrophobicContact CG2-CB 4.33Å; V86-V135 HydrophobicContact CG2-CG1 3.96Å; V86-V135 HydrophobicContact CG2-CG2 3.59Å; L94-V135 HydrophobicContact CD1-CG1 4.06Å; E132-V135 VanDerWaalsContact O-CG1 3.25Å; E132-V135 WeakPolarHBondContact O-CG1 3.16Å; E132-V135 PolarHBondContact O-N 2.91Å; M133-V135 PolarHBondContact O-N 3.3Å; M133-V135 VanDerWaalsContact O-N 3.17Å; V135-A137 VanDerWaalsContact C-N 3.28Å; V135-A137 PolarHBondContact O-N 3.48Å; V135-A138 PolarHBondContact O-N 3.1Å
136	L	95.4	Very high	95.8	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-66.6	-27.3	177.1	-62	-177.5	0	0	0	112.9	V86 V91 L94 M133 Q134 A138 N139 L146 L178	V86-L136 HydrophobicContact CG1-CD2 3.72Å; V91-L136 HydrophobicContact CG2-CD2 3.79Å; L94-L136 HydrophobicContact CD1-CD1 4.36Å; L94-L136 HydrophobicContact CD1-CD2 3.92Å; L94-L136 HydrophobicContact CD1-CG 4.05Å; M133-L136 HydrophobicContact CE-CD1 4.42Å; M133-L136 VanDerWaalsContact O-CB 3.29Å; M133-L136 WeakPolarHBondContact O-CB 3.37Å; M133-L136 VanDerWaalsContact O-CG 3.25Å; M133-L136 WeakPolarHBondContact O-CG 3.32Å; M133-L136 PolarHBondContact O-N 3.46Å; M133-L136 VanDerWaalsContact O-N 3.1Å; Q134-L136 PolarHBondContact O-N 3.44Å; L136-A138 PolarHBondContact O-N 3.11Å; L136-N139 PolarHBondContact O-N 3.28Å; L136-N139 VanDerWaalsContact O-N 3.11Å; L136-L146 HydrophobicContact CD1-CD1 4.3Å; L136-L146 HydrophobicContact CD1-CD2 4.45Å; L136-L178 HydrophobicContact CB-CD2 3.91Å
137	A	94.7	Very high	95.8	Very high	10 Å²	10	32.7 Å²	32.7	8%	0.083	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-63	-27.7	179.6	0	0	0	0	0	112.7	Q134 V135 N139 E177 L178	Q134-A137 WeakPolarHBondContact O-CB 3.48Å; Q134-A137 PolarHBondContact O-N 3.34Å; V135-A137 VanDerWaalsContact C-N 3.28Å; V135-A137 PolarHBondContact O-N 3.48Å; A137-N139 PolarHBondContact O-N 3.18Å; A137-E177 HydrophobicContact CB-CB 3.87Å; A137-E177 WeakPolarHBondContact CB-O 3.43Å; A137-L178 HydrophobicContact CB-CD2 4.18Å
138	A	92.8	Very high	95.7	Very high	61 Å²	61	36 Å²	36	50%	0.504	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-72.8	-10.9	177.7	0	0	0	0	0	114	A83 V135 L136	A83-A138 HydrophobicContact CB-CB 4.08Å; V135-A138 PolarHBondContact O-N 3.1Å; L136-A138 PolarHBondContact O-N 3.11Å
139	N	93.7	Very high	95.6	Very high	23 Å²	23	33.1 Å²	33.1	12%	0.123	18%	0.175	C	C	.	.			trans	-133.4	63.8	-174.1	-62.8	-91.9	0	0	0	111.8	A83 V86 L136 A137 E141 L142	A83-N139 PolarHBondContact O-ND2 3.5Å; V86-N139 HydrophobicContact CB-CB 4.46Å; V86-N139 WeakPolarHBondContact CB-ND2 3.43Å; V86-N139 WeakPolarHBondContact CG2-ND2 3.49Å; L136-N139 PolarHBondContact O-N 3.28Å; L136-N139 VanDerWaalsContact O-N 3.11Å; A137-N139 PolarHBondContact O-N 3.18Å; N139-E141 WeakPolarHBondContact CA-OE2 3.37Å; N139-E141 VanDerWaalsContact CB-OE1 3.28Å; N139-E141 WeakPolarHBondContact CB-OE1 3.46Å; N139-E141 PolarHBondContact O-N 2.94Å; N139-E141 VanDerWaalsContact O-N 3.11Å; N139-E141 PolarHBondContact OD1-OE1 3.31Å; N139-L142 HydrophobicContact CB-CD1 3.88Å; N139-L142 HydrophobicContact CB-CG 4.22Å; N139-L142 WeakPolarHBondContact O-CB 3.49Å; N139-L142 PolarHBondContact O-N 3.1Å
140	P	93	Very high	95.5	Very high	11 Å²	11	36.9 Å²	36.9	7%	0.071	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-66.8	-13.1	-174.6	-12.3	26.3	0	0	0	114.2	L142 Y143 C183 L184 A187 V192	P140-L142 PolarHBondContact O-N 3.49Å; P140-Y143 HydrophobicContact CB-CD1 4.32Å; P140-Y143 HydrophobicContact CB-CD2 4.41Å; P140-Y143 HydrophobicContact CB-CE1 4.18Å; P140-Y143 HydrophobicContact CB-CE2 4.32Å; P140-Y143 HydrophobicContact CB-CG 4.41Å; P140-Y143 VanDerWaalsContact O-CB 3.25Å; P140-Y143 WeakPolarHBondContact O-CB 3.25Å; P140-Y143 PolarHBondContact O-N 3.02Å; P140-Y143 VanDerWaalsContact O-N 3.09Å; P140-C183 HydrophobicContact CG-CB 4.39Å; P140-L184 HydrophobicContact CB-CD2 4.35Å; P140-A187 HydrophobicContact CB-CB 3.58Å; P140-A187 HydrophobicContact CG-CB 4.01Å; P140-V192 HydrophobicContact CB-CG1 4.14Å
141	E	90.9	Very high	95.4	Very high	89 Å²	89	45.6 Å²	45.6	42%	0.416	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-62.6	-19.6	169.1	70.7	-74.8	175.5	0	0	113.7	N139 P144	N139-E141 WeakPolarHBondContact CA-OE2 3.37Å; N139-E141 VanDerWaalsContact CB-OE1 3.28Å; N139-E141 WeakPolarHBondContact CB-OE1 3.46Å; N139-E141 PolarHBondContact O-N 2.94Å; N139-E141 VanDerWaalsContact O-N 3.11Å; N139-E141 PolarHBondContact OD1-OE1 3.31Å; E141-P144 WeakPolarHBondContact O-CD 3.35Å
142	L	94.3	Very high	95.4	Very high	25 Å²	25	39.8 Å²	39.8	13%	0.131	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-87.8	-3	175.1	-58.8	177.5	0	0	0	112.9	V86 V91 N139 P140 P144 I145 L146	V86-L142 HydrophobicContact CB-CD1 4.32Å; V86-L142 HydrophobicContact CG1-CD1 3.65Å; V91-L142 HydrophobicContact CG2-CB 4.08Å; V91-L142 HydrophobicContact CG2-CD1 4.15Å; N139-L142 HydrophobicContact CB-CD1 3.88Å; N139-L142 HydrophobicContact CB-CG 4.22Å; N139-L142 WeakPolarHBondContact O-CB 3.49Å; N139-L142 PolarHBondContact O-N 3.1Å; P140-L142 PolarHBondContact O-N 3.49Å; L142-P144 VanDerWaalsContact C-N 3.35Å; L142-I145 HydrophobicContact CD2-CD1 4.04Å; L142-I145 WeakPolarHBondContact O-CB 3.34Å; L142-I145 PolarHBondContact O-N 2.97Å; L142-L146 PolarHBondContact O-N 3.2Å; L142-L146 VanDerWaalsContact O-N 3.08Å
143	Y	96.3	Very high	95.4	Very high	3 Å²	3	38.6 Å²	38.6	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-61.2	-30.5	-179.9	-78	19.2	0	0	0	115.1	P140 I145 L146 A147 L178 L184 V192 F195	P140-Y143 HydrophobicContact CB-CD1 4.32Å; P140-Y143 HydrophobicContact CB-CD2 4.41Å; P140-Y143 HydrophobicContact CB-CE1 4.18Å; P140-Y143 HydrophobicContact CB-CE2 4.32Å; P140-Y143 HydrophobicContact CB-CG 4.41Å; P140-Y143 VanDerWaalsContact O-CB 3.25Å; P140-Y143 WeakPolarHBondContact O-CB 3.25Å; P140-Y143 PolarHBondContact O-N 3.02Å; P140-Y143 VanDerWaalsContact O-N 3.09Å; Y143-I145 PolarHBondContact O-N 3.05Å; Y143-L146 HydrophobicContact CD1-CD2 4.35Å; Y143-L146 PolarHBondContact O-N 3.42Å; Y143-A147 WeakPolarHBondContact O-CB 3.36Å; Y143-A147 PolarHBondContact O-N 2.98Å; Y143-L178 HydrophobicContact CE1-CD2 3.97Å; Y143-L178 WeakPolarHBondContact CE2-O 3.43Å; Y143-L178 WeakPolarHBondContact OH-CA 3.38Å; Y143-L178 WeakPolarHBondContact OH-CD2 3.44Å; Y143-L178 PolarHBondContact OH-O 3.32Å; Y143-L184 HydrophobicContact CD2-CD2 4.11Å; Y143-L184 HydrophobicContact CE2-CD2 3.46Å; Y143-L184 VanDerWaalsContact CE2-CD2 3.46Å; Y143-V192 HydrophobicContact CD2-CB 4.12Å; Y143-V192 HydrophobicContact CD2-CG1 3.8Å; Y143-V192 HydrophobicContact CE2-CG1 4.48Å; Y143-V192 HydrophobicContact CG-CG1 4.36Å; Y143-F195 HydrophobicContact CD2-CB 4.21Å; Y143-F195 AromaticContact CD2-CD1 3.43Å; Y143-F195 HydrophobicContact CD2-CD1 3.43Å; Y143-F195 VanDerWaalsContact CD2-CD1 3.43Å; Y143-F195 HydrophobicContact CD2-CE1 4.05Å; Y143-F195 HydrophobicContact CD2-CG 4.05Å; Y143-F195 AromaticContact CE2-CD1 3.72Å; Y143-F195 HydrophobicContact CE2-CD1 3.72Å; Y143-F195 AromaticContact CE2-CE1 3.89Å; Y143-F195 HydrophobicContact CE2-CE1 3.89Å; Y143-F195 HydrophobicContact CG-CB 4.48Å; Y143-F195 HydrophobicContact CG-CD1 4.18Å; Y143-F195 HydrophobicContact CG-CG 4.42Å
144	P	95.5	Very high	95.4	Very high	37 Å²	37	42 Å²	42	24%	0.24	22%	0.224	C	C	.	.	H	α-helix	trans	-56	-40.7	169.7	-26.9	35.5	0	0	0	112.6	E141 L142 A147 E148 K191	E141-P144 WeakPolarHBondContact O-CD 3.35Å; L142-P144 VanDerWaalsContact C-N 3.35Å; P144-A147 WeakPolarHBondContact O-CB 3.36Å; P144-A147 PolarHBondContact O-N 3.4Å; P144-E148 PolarHBondContact O-N 3.41Å; P144-K191 WeakPolarHBondContact CG-O 3.39Å
145	I	95.9	Very high	95.5	Very high	26 Å²	26	42 Å²	42	13%	0.133	23%	0.226	C	C	.	.	H	α-helix	trans	-71.1	-41.6	178.7	-54.1	175.4	0	0	0	110.1	E88 V91 L142 Y143 A147 E148	E88-I145 HydrophobicContact CB-CD1 3.6Å; E88-I145 HydrophobicContact CG-CD1 3.72Å; E88-I145 HydrophobicContact CG-CG2 3.91Å; V91-I145 HydrophobicContact CB-CG2 4.41Å; V91-I145 HydrophobicContact CG1-CG2 4.18Å; L142-I145 HydrophobicContact CD2-CD1 4.04Å; L142-I145 WeakPolarHBondContact O-CB 3.34Å; L142-I145 PolarHBondContact O-N 2.97Å; Y143-I145 PolarHBondContact O-N 3.05Å; I145-A147 VanDerWaalsContact C-N 3.27Å; I145-A147 PolarHBondContact O-N 3.32Å; I145-E148 WeakPolarHBondContact O-CB 3.45Å; I145-E148 PolarHBondContact O-N 2.93Å
146	L	96.6	Very high	95.6	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.037	22%	0.22	C	C	.	.	H	α-helix	trans	-59.8	-40.8	173.8	-176.6	58.8	0	0	0	110.9	V91 T95 L136 L142 Y143 E148 Q149 I153 F195	V91-L146 HydrophobicContact CG1-CB 4.16Å; V91-L146 HydrophobicContact CG1-CD1 4.11Å; T95-L146 HydrophobicContact CG2-CD1 3.93Å; L136-L146 HydrophobicContact CD1-CD1 4.3Å; L136-L146 HydrophobicContact CD1-CD2 4.45Å; L142-L146 PolarHBondContact O-N 3.2Å; L142-L146 VanDerWaalsContact O-N 3.08Å; Y143-L146 HydrophobicContact CD1-CD2 4.35Å; Y143-L146 PolarHBondContact O-N 3.42Å; L146-E148 VanDerWaalsContact C-N 3.26Å; L146-E148 PolarHBondContact O-N 2.94Å; L146-Q149 WeakPolarHBondContact O-CA 3.38Å; L146-Q149 VanDerWaalsContact O-CB 3.29Å; L146-Q149 WeakPolarHBondContact O-CB 3.44Å; L146-Q149 PolarHBondContact O-N 3.21Å; L146-I153 HydrophobicContact CG-CD1 4.47Å; L146-I153 WeakPolarHBondContact O-CD1 3.39Å; L146-F195 HydrophobicContact CD2-CD2 4.07Å; L146-F195 HydrophobicContact CD2-CE1 4.44Å; L146-F195 HydrophobicContact CD2-CE2 3.58Å; L146-F195 HydrophobicContact CD2-CZ 3.78Å; L146-F195 HydrophobicContact CG-CD2 4.06Å; L146-F195 HydrophobicContact CG-CE2 3.8Å; L146-F195 HydrophobicContact CG-CZ 4.49Å
147	A	96.4	Very high	95.7	Very high	2 Å²	2	41.2 Å²	41.2	2%	0.017	22%	0.221	C	C	.	.	H	α-helix	trans	-63.7	-27.8	178.3	0	0	0	0	0	113.4	Y143 P144 I145 Q149 Q194 F195 V198	Y143-A147 WeakPolarHBondContact O-CB 3.36Å; Y143-A147 PolarHBondContact O-N 2.98Å; P144-A147 WeakPolarHBondContact O-CB 3.36Å; P144-A147 PolarHBondContact O-N 3.4Å; I145-A147 VanDerWaalsContact C-N 3.27Å; I145-A147 PolarHBondContact O-N 3.32Å; A147-Q149 PolarHBondContact O-N 3.13Å; A147-Q194 HydrophobicContact CB-CB 4.15Å; A147-Q194 HydrophobicContact CB-CG 3.77Å; A147-F195 HydrophobicContact CB-CB 4.06Å; A147-V198 HydrophobicContact CB-CG2 4.29Å
148	E	96.8	Very high	95.9	Very high	107 Å²	107	43 Å²	43	50%	0.5	24%	0.24	S	C	.	.	H	α-helix	trans	-64.9	-24.7	171.3	-65	177	-179.7	0	0	112.2	R92 P144 I145 L146 T150	R92-E148 IonicContact NH2-OE2 2.9Å; R92-E148 PolarHBondContact NH2-OE2 3Å; P144-E148 PolarHBondContact O-N 3.41Å; I145-E148 WeakPolarHBondContact O-CB 3.45Å; I145-E148 PolarHBondContact O-N 2.93Å; L146-E148 VanDerWaalsContact C-N 3.26Å; L146-E148 PolarHBondContact O-N 2.94Å; E148-T150 PolarHBondContact O-N 2.95Å
149	Q	96.1	Very high	96.1	Very high	34 Å²	34	40.8 Å²	40.8	16%	0.159	22%	0.22	C	C	.	.			trans	-83.7	54.6	-178.2	-49.1	-52	-56.7	0	0	112.1	T95 L146 A147 R151 P152 I153	T95-Q149 HydrophobicContact CG2-CB 3.9Å; T95-Q149 HydrophobicContact CG2-CG 3.9Å; L146-Q149 WeakPolarHBondContact O-CA 3.38Å; L146-Q149 VanDerWaalsContact O-CB 3.29Å; L146-Q149 WeakPolarHBondContact O-CB 3.44Å; L146-Q149 PolarHBondContact O-N 3.21Å; A147-Q149 PolarHBondContact O-N 3.13Å; Q149-R151 PolarHBondContact O-N 3.2Å; Q149-P152 HydrophobicContact CB-CB 4.35Å; Q149-P152 HydrophobicContact CB-CG 4.09Å; Q149-P152 VanDerWaalsContact O-CD 3.29Å; Q149-P152 WeakPolarHBondContact O-CD 3.23Å; Q149-I153 WeakPolarHBondContact O-CG1 3.47Å; Q149-I153 PolarHBondContact O-N 2.97Å
150	T	95.9	Very high	96.3	Very high	82 Å²	82	39.8 Å²	39.8	50%	0.503	22%	0.215	S	C	.	.	H	α-helix	trans	-57.7	-40.6	-173.8	54.5	0	0	0	0	114.3	E148 I153 S154 V198	E148-T150 PolarHBondContact O-N 2.95Å; T150-I153 PolarHBondContact O-N 3.14Å; T150-S154 WeakPolarHBondContact O-CB 3.25Å; T150-S154 PolarHBondContact O-N 3.45Å; T150-V198 HydrophobicContact CG2-CG1 4.27Å; T150-V198 HydrophobicContact CG2-CG2 4.41Å
151	R	96.2	Very high	96.5	Very high	183 Å²	183	42.8 Å²	42.8	69%	0.691	24%	0.24	S	C	*	.	H	α-helix	trans	-67.2	-51	179.1	174.3	-177.8	-176	-138	9.3	112.3	E99 Q149 I153 S154 L155	E99-R151 WeakPolarHBondContact OE1-CD 3.43Å; E99-R151 WeakPolarHBondContact OE1-CG 3.16Å; E99-R151 IonicContact OE1-CZ 3.2Å; E99-R151 IonicContact OE1-NE 2.71Å; E99-R151 PolarHBondContact OE1-NE 2.96Å; E99-R151 IonicContact OE1-NH1 2.64Å; E99-R151 PolarHBondContact OE1-NH1 3.39Å; Q149-R151 PolarHBondContact O-N 3.2Å; R151-I153 VanDerWaalsContact C-N 3.3Å; R151-I153 PolarHBondContact O-N 2.96Å; R151-S154 PolarHBondContact O-N 3.17Å; R151-L155 PolarHBondContact O-N 3.33Å
152	P	96.6	Very high	96.8	Very high	8 Å²	8	39.6 Å²	39.6	5%	0.052	23%	0.225	C	C	.	.	H	α-helix	trans	-54.4	-41.3	170.7	-29.9	34.2	0	0	0	114	T95 E99 Q149 L155 L156	T95-P152 HydrophobicContact CG2-CB 4.08Å; T95-P152 HydrophobicContact CG2-CG 4.49Å; E99-P152 HydrophobicContact CG-CB 4.4Å; E99-P152 HydrophobicContact CG-CG 3.96Å; Q149-P152 HydrophobicContact CB-CB 4.35Å; Q149-P152 HydrophobicContact CB-CG 4.09Å; Q149-P152 VanDerWaalsContact O-CD 3.29Å; Q149-P152 WeakPolarHBondContact O-CD 3.23Å; P152-L155 WeakPolarHBondContact O-CB 3.28Å; P152-L155 PolarHBondContact O-N 2.94Å; P152-L156 WeakPolarHBondContact O-CB 3.44Å; P152-L156 PolarHBondContact O-N 2.76Å
153	I	97.2	Very high	96.8	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-63.8	-45.4	176	-67.7	166.8	0	0	0	111	L146 Q149 T150 R151 L155 L156 L157 F195 V198 L199	L146-I153 HydrophobicContact CG-CD1 4.47Å; L146-I153 WeakPolarHBondContact O-CD1 3.39Å; Q149-I153 WeakPolarHBondContact O-CG1 3.47Å; Q149-I153 PolarHBondContact O-N 2.97Å; T150-I153 PolarHBondContact O-N 3.14Å; R151-I153 VanDerWaalsContact C-N 3.3Å; R151-I153 PolarHBondContact O-N 2.96Å; I153-L155 VanDerWaalsContact C-N 3.28Å; I153-L155 PolarHBondContact O-N 3.02Å; I153-L156 WeakPolarHBondContact O-CB 3.44Å; I153-L156 PolarHBondContact O-N 2.87Å; I153-L157 HydrophobicContact CG2-CD1 4.48Å; I153-L157 WeakPolarHBondContact O-CG 3.45Å; I153-L157 PolarHBondContact O-N 3.13Å; I153-F195 HydrophobicContact CD1-CD2 3.92Å; I153-F195 HydrophobicContact CD1-CE2 3.76Å; I153-F195 HydrophobicContact CG1-CE2 4.26Å; I153-V198 HydrophobicContact CB-CG1 4.29Å; I153-V198 HydrophobicContact CD1-CG1 3.83Å; I153-V198 HydrophobicContact CG2-CG1 3.96Å; I153-L199 HydrophobicContact CG2-CD2 3.79Å
154	S	97.4	Very high	96.7	Very high	79 Å²	79	46.7 Å²	46.7	55%	0.552	26%	0.259	S	S	*	.	H	α-helix	trans	-60.9	-38.9	176.8	178.9	0	0	0	0	112.2	T150 R151 L157 G158	T150-S154 WeakPolarHBondContact O-CB 3.25Å; T150-S154 PolarHBondContact O-N 3.45Å; R151-S154 PolarHBondContact O-N 3.17Å; S154-L157 PolarHBondContact O-N 3.14Å; S154-G158 PolarHBondContact O-N 3.24Å
155	L	97.6	Very high	96.8	Very high	56 Å²	56	46.3 Å²	46.3	29%	0.293	26%	0.256	S	S	.	.	H	α-helix	trans	-63.6	-45.4	173.6	174.9	67.1	0	0	0	111.6	L98 E99 A102 R151 P152 I153 L157 G158 L159	L98-L155 HydrophobicContact CG-CD2 4.35Å; E99-L155 HydrophobicContact CB-CD2 4.32Å; E99-L155 HydrophobicContact CG-CD2 4Å; A102-L155 HydrophobicContact CB-CD1 3.96Å; A102-L155 HydrophobicContact CB-CD2 3.69Å; A102-L155 HydrophobicContact CB-CG 4.1Å; R151-L155 PolarHBondContact O-N 3.33Å; P152-L155 WeakPolarHBondContact O-CB 3.28Å; P152-L155 PolarHBondContact O-N 2.94Å; I153-L155 VanDerWaalsContact C-N 3.28Å; I153-L155 PolarHBondContact O-N 3.02Å; L155-L157 VanDerWaalsContact C-N 3.33Å; L155-L157 PolarHBondContact O-N 3.18Å; L155-G158 WeakPolarHBondContact O-CA 3.01Å; L155-G158 PolarHBondContact O-N 3.21Å; L155-G158 VanDerWaalsContact O-N 3.1Å; L155-L159 WeakPolarHBondContact O-CG 3.34Å; L155-L159 PolarHBondContact O-N 3.2Å
156	L	98.1	Very high	96.9	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.042	27%	0.269	C	S	.	.	H	α-helix	trans	-56	-47.3	176.2	-179.9	66.8	0	0	0	111.3	L98 L130 P152 I153 G158 L159 V171 L174 L175	L98-L156 HydrophobicContact CD2-CB 4.07Å; L98-L156 HydrophobicContact CD2-CD1 4.32Å; L130-L156 HydrophobicContact CD2-CD1 3.46Å; L130-L156 VanDerWaalsContact CD2-CD1 3.46Å; P152-L156 WeakPolarHBondContact O-CB 3.44Å; P152-L156 PolarHBondContact O-N 2.76Å; I153-L156 WeakPolarHBondContact O-CB 3.44Å; I153-L156 PolarHBondContact O-N 2.87Å; L156-G158 VanDerWaalsContact C-N 3.32Å; L156-G158 PolarHBondContact O-N 3.29Å; L156-L159 WeakPolarHBondContact O-CB 3.44Å; L156-L159 PolarHBondContact O-N 3.07Å; L156-L159 VanDerWaalsContact O-N 3.17Å; L156-V171 HydrophobicContact CD1-CB 4.45Å; L156-V171 HydrophobicContact CD1-CG1 3.88Å; L156-V171 HydrophobicContact CD1-CG2 4.01Å; L156-V171 HydrophobicContact CG-CG1 4.12Å; L156-L174 HydrophobicContact CD1-CD2 3.87Å; L156-L174 HydrophobicContact CD2-CD2 4.03Å; L156-L175 HydrophobicContact CD2-CD2 4.27Å
157	L	98.1	Very high	96.9	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.037	27%	0.267	C	S	.	.	H	α-helix	trans	-63.9	-37.4	176.4	-62.7	-178.1	0	0	0	111.9	I153 S154 L155 L159 L160 L175 L199 G202 L204	I153-L157 HydrophobicContact CG2-CD1 4.48Å; I153-L157 WeakPolarHBondContact O-CG 3.45Å; I153-L157 PolarHBondContact O-N 3.13Å; S154-L157 PolarHBondContact O-N 3.14Å; L155-L157 VanDerWaalsContact C-N 3.33Å; L155-L157 PolarHBondContact O-N 3.18Å; L157-L159 VanDerWaalsContact C-N 3.25Å; L157-L159 PolarHBondContact O-N 3.08Å; L157-L160 HydrophobicContact CD2-CD1 4.4Å; L157-L160 VanDerWaalsContact O-CB 3.31Å; L157-L160 WeakPolarHBondContact O-CB 3.49Å; L157-L160 PolarHBondContact O-N 3.32Å; L157-L160 VanDerWaalsContact O-N 3.15Å; L157-L175 HydrophobicContact CD2-CD1 4.41Å; L157-L199 HydrophobicContact CD1-CD2 4.41Å; L157-L199 HydrophobicContact CD2-CD2 4.13Å; L157-G202 WeakPolarHBondContact CD1-O 3.19Å; L157-L204 HydrophobicContact CD2-CD1 3.62Å
158	G	97.8	Very high	97	Very high	48 Å²	48	48.3 Å²	48.3	50%	0.495	27%	0.267	S	S	.	.	H	α-helix	trans	-61.5	-30.5	174.1	0	0	0	0	0	113.8	S154 L155 L156 L160 A161	S154-G158 PolarHBondContact O-N 3.24Å; L155-G158 WeakPolarHBondContact O-CA 3.01Å; L155-G158 PolarHBondContact O-N 3.21Å; L155-G158 VanDerWaalsContact O-N 3.1Å; L156-G158 VanDerWaalsContact C-N 3.32Å; L156-G158 PolarHBondContact O-N 3.29Å; G158-L160 PolarHBondContact O-N 3.07Å; G158-A161 PolarHBondContact O-N 2.93Å
159	L	98.3	Very high	97.1	Very high	14 Å²	14	44 Å²	44	7%	0.073	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-69.9	-14.9	176.6	-68	174.2	0	0	0	113.4	L98 L126 L155 L156 L157 A161 H162 I167 V171	L98-L159 HydrophobicContact CD1-CD1 4.11Å; L126-L159 HydrophobicContact CD1-CD1 4.16Å; L126-L159 HydrophobicContact CD2-CD1 4.28Å; L126-L159 HydrophobicContact CD2-CD2 4.07Å; L155-L159 WeakPolarHBondContact O-CG 3.34Å; L155-L159 PolarHBondContact O-N 3.2Å; L156-L159 WeakPolarHBondContact O-CB 3.44Å; L156-L159 PolarHBondContact O-N 3.07Å; L156-L159 VanDerWaalsContact O-N 3.17Å; L157-L159 VanDerWaalsContact C-N 3.25Å; L157-L159 PolarHBondContact O-N 3.08Å; L159-A161 PolarHBondContact O-N 3.39Å; L159-H162 WeakPolarHBondContact O-CB 3.31Å; L159-H162 PolarHBondContact O-N 3.29Å; L159-I167 HydrophobicContact CB-CG2 4.36Å; L159-I167 HydrophobicContact CD2-CG2 4.33Å; L159-V171 HydrophobicContact CB-CG2 3.66Å; L159-V171 HydrophobicContact CD1-CG2 4.45Å
160	L	98.2	Very high	97.2	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-59.9	-29.9	169.7	-72.7	168.6	0	0	0	111.9	L157 G158 H162 S168 V171 I172 L175 L208 N211 R214	L157-L160 HydrophobicContact CD2-CD1 4.4Å; L157-L160 VanDerWaalsContact O-CB 3.31Å; L157-L160 WeakPolarHBondContact O-CB 3.49Å; L157-L160 PolarHBondContact O-N 3.32Å; L157-L160 VanDerWaalsContact O-N 3.15Å; G158-L160 PolarHBondContact O-N 3.07Å; L160-H162 VanDerWaalsContact C-N 3.31Å; L160-S168 WeakPolarHBondContact O-CB 3.42Å; L160-V171 HydrophobicContact CD2-CB 4.12Å; L160-V171 HydrophobicContact CD2-CG1 3.66Å; L160-V171 HydrophobicContact CG-CG1 3.81Å; L160-I172 HydrophobicContact CD2-CG1 3.97Å; L160-L175 HydrophobicContact CD1-CD1 4.26Å; L160-L175 HydrophobicContact CD2-CD1 4.4Å; L160-L208 HydrophobicContact CD1-CD2 4.01Å; L160-L208 HydrophobicContact CD1-CG 4.4Å; L160-L208 HydrophobicContact CD2-CD2 4.14Å; L160-N211 HydrophobicContact CB-CB 4.3Å; L160-N211 PolarHBondContact O-OD1 3.45Å; L160-R214 PolarHBondContact O-NH2 2.86Å
161	A	97	Very high	97.3	Very high	74 Å²	74	39.4 Å²	39.4	61%	0.612	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-89.3	8.4	176.9	0	0	0	0	0	113.5	G158 L159	G158-A161 PolarHBondContact O-N 2.93Å; L159-A161 PolarHBondContact O-N 3.39Å
162	H	97	Very high	97.5	Very high	21 Å²	21	30.7 Å²	30.7	10%	0.097	19%	0.189	C	C	.	.			trans	-62.9	136	-175.5	-172.6	-84.3	0	0	0	112.3	N105 E123 L159 L160 N164 I167 R214	N105-H162 PolarHBondContact OD1-NE2 2.88Å; E123-H162 IonicContact OE1-CE1 2.74Å; L159-H162 WeakPolarHBondContact O-CB 3.31Å; L159-H162 PolarHBondContact O-N 3.29Å; L160-H162 VanDerWaalsContact C-N 3.31Å; H162-N164 VanDerWaalsContact C-N 3.31Å; H162-N164 PolarHBondContact ND1-N 3.27Å; H162-N164 PolarHBondContact ND1-O 2.88Å; H162-N164 CarbonylContact O-C 3.49Å; H162-N164 PolarHBondContact O-N 3.5Å; H162-I167 HydrophobicContact CB-CB 4.3Å; H162-I167 HydrophobicContact CB-CG2 3.91Å; H162-I167 WeakPolarHBondContact CE1-CD1 3.46Å; H162-R214 PolarHBondContact O-NH1 2.89Å; H162-R214 PolarHBondContact O-NH2 3.4Å
163	E	93.4	Very high	97.6	Very high	147 Å²	147	32.3 Å²	32.3	69%	0.687	20%	0.197	S	C	*	.	S	Bend	trans	-58.8	-38.6	-173.9	-67	-176.9	171.4	0	0	113.4	R109 T165	R109-E163 IonicContact CZ-OE2 3.28Å; R109-E163 IonicContact NE-OE2 3.8Å; R109-E163 IonicContact NH2-OE2 3.56Å; R109-E163 PolarHBondContact NH2-OE2 3.41Å; E163-T165 PolarHBondContact O-N 3.45Å
164	N	95.3	Very high	97.6	Very high	30 Å²	30	31.9 Å²	31.9	16%	0.16	20%	0.195	C	C	.	.	S	Bend	trans	-76.1	116.2	167.2	-174.6	-8	0	0	0	109.7	E123 H162 D166 I167	E123-N164 PolarHBondContact OE2-ND2 3.47Å; H162-N164 VanDerWaalsContact C-N 3.31Å; H162-N164 PolarHBondContact ND1-N 3.27Å; H162-N164 PolarHBondContact ND1-O 2.88Å; H162-N164 CarbonylContact O-C 3.49Å; H162-N164 PolarHBondContact O-N 3.5Å; N164-D166 VanDerWaalsContact C-N 3.25Å; N164-D166 PolarHBondContact O-N 2.92Å; N164-D166 WeakPolarHBondContact OD1-CB 3.47Å; N164-D166 PolarHBondContact OD1-N 3.29Å; N164-D166 PolarHBondContact OD1-OD2 2.96Å; N164-I167 HydrophobicContact CB-CD1 4.33Å; N164-I167 PolarHBondContact O-N 3.22Å
165	T	97	Very high	97.7	Very high	29 Å²	29	28.1 Å²	28.1	18%	0.178	17%	0.169	C	C	.	.	H	α-helix	trans	-60	-33.5	177.7	46.1	0	0	0	0	112.4	E163 I167 S168 L169 L215	E163-T165 PolarHBondContact O-N 3.45Å; T165-I167 PolarHBondContact O-N 3.33Å; T165-S168 WeakPolarHBondContact CA-OG 3.47Å; T165-S168 CarbonylContact O-C 3.53Å; T165-S168 PolarHBondContact O-N 3.42Å; T165-S168 PolarHBondContact O-OG 3.03Å; T165-L169 VanDerWaalsContact O-CG 3.31Å; T165-L169 WeakPolarHBondContact O-CG 3.37Å; T165-L169 PolarHBondContact O-N 3.46Å; T165-L215 HydrophobicContact CG2-CD2 3.92Å
166	D	97.1	Very high	97.7	Very high	78 Å²	78	28.2 Å²	28.2	42%	0.417	17%	0.168	S	C	.	.	H	α-helix	trans	-61.7	-35.3	-178	-55.4	-31.2	0	0	0	111.4	Q127 N164 L169 S170	Q127-D166 VanDerWaalsContact NE2-C 3.34Å; Q127-D166 PolarHBondContact NE2-O 2.97Å; N164-D166 VanDerWaalsContact C-N 3.25Å; N164-D166 PolarHBondContact O-N 2.92Å; N164-D166 WeakPolarHBondContact OD1-CB 3.47Å; N164-D166 PolarHBondContact OD1-N 3.29Å; N164-D166 PolarHBondContact OD1-OD2 2.96Å; D166-L169 PolarHBondContact O-N 2.75Å; D166-S170 PolarHBondContact O-N 3.38Å; D166-S170 PolarHBondContact O-OG 3.41Å
167	I	98.1	Very high	97.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.7	-45.1	173.5	-73.1	165	0	0	0	110.6	E123 L126 Q127 L130 L159 H162 N164 T165 L169 S170 V171	E123-I167 HydrophobicContact CB-CD1 3.96Å; E123-I167 HydrophobicContact CG-CD1 3.75Å; L126-I167 HydrophobicContact CD2-CD1 4.03Å; L126-I167 HydrophobicContact CD2-CG1 4.45Å; L126-I167 HydrophobicContact CD2-CG2 4.07Å; Q127-I167 HydrophobicContact CG-CG1 3.83Å; L130-I167 HydrophobicContact CD1-CG2 4.31Å; L159-I167 HydrophobicContact CB-CG2 4.36Å; L159-I167 HydrophobicContact CD2-CG2 4.33Å; H162-I167 HydrophobicContact CB-CB 4.3Å; H162-I167 HydrophobicContact CB-CG2 3.91Å; H162-I167 WeakPolarHBondContact CE1-CD1 3.46Å; N164-I167 HydrophobicContact CB-CD1 4.33Å; N164-I167 PolarHBondContact O-N 3.22Å; T165-I167 PolarHBondContact O-N 3.33Å; I167-L169 VanDerWaalsContact C-N 3.26Å; I167-L169 PolarHBondContact O-N 3.32Å; I167-S170 PolarHBondContact O-N 3.18Å; I167-V171 WeakPolarHBondContact O-CG2 3.3Å; I167-V171 PolarHBondContact O-N 2.87Å
168	S	98	Very high	97.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.6	-30.4	178.3	71.3	0	0	0	0	113	L160 T165 V171 I172 N211 R214	L160-S168 WeakPolarHBondContact O-CB 3.42Å; T165-S168 WeakPolarHBondContact CA-OG 3.47Å; T165-S168 CarbonylContact O-C 3.53Å; T165-S168 PolarHBondContact O-N 3.42Å; T165-S168 PolarHBondContact O-OG 3.03Å; S168-V171 PolarHBondContact O-N 3.19Å; S168-I172 WeakPolarHBondContact O-CG1 3.32Å; S168-I172 PolarHBondContact O-N 3.23Å; S168-N211 PolarHBondContact OG-OD1 3.08Å; S168-R214 PolarHBondContact OG-NH2 2.89Å; S168-R214 VanDerWaalsContact OG-NH2 3.09Å
169	L	98.5	Very high	97.6	Very high	16 Å²	16	29.3 Å²	29.3	8%	0.084	16%	0.159	C	C	.	.	H	α-helix	trans	-69.9	-43.3	173.1	-67.6	176.4	0	0	0	110.7	T165 D166 I167 V171 I172 D173 L215 D221 E222	T165-L169 VanDerWaalsContact O-CG 3.31Å; T165-L169 WeakPolarHBondContact O-CG 3.37Å; T165-L169 PolarHBondContact O-N 3.46Å; D166-L169 PolarHBondContact O-N 2.75Å; I167-L169 VanDerWaalsContact C-N 3.26Å; I167-L169 PolarHBondContact O-N 3.32Å; L169-V171 PolarHBondContact O-N 2.9Å; L169-I172 HydrophobicContact CD2-CD1 4.18Å; L169-I172 CarbonylContact O-C 3.56Å; L169-I172 WeakPolarHBondContact O-CA 3.5Å; L169-I172 WeakPolarHBondContact O-CB 3.5Å; L169-I172 PolarHBondContact O-N 3.28Å; L169-D173 PolarHBondContact O-N 2.83Å; L169-L215 HydrophobicContact CD2-CD1 4.2Å; L169-D221 HydrophobicContact CD1-CB 4.35Å; L169-E222 HydrophobicContact CD1-CG 4.22Å
170	S	98.6	Very high	97.4	Very high	19 Å²	19	32.3 Å²	32.3	13%	0.133	17%	0.173	C	C	.	.	H	α-helix	trans	-59.8	-34.3	172.4	-58.5	0	0	0	0	112.7	D166 I167 L174	D166-S170 PolarHBondContact O-N 3.38Å; D166-S170 PolarHBondContact O-OG 3.41Å; I167-S170 PolarHBondContact O-N 3.18Å; S170-L174 PolarHBondContact O-N 3.01Å
171	V	98.7	Very high	97.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-67.8	-42.1	172.1	177.1	0	0	0	0	111.4	L130 L156 L159 L160 I167 S168 L169 D173 L174 L175	L130-V171 HydrophobicContact CD1-CG2 3.84Å; L130-V171 HydrophobicContact CD2-CG2 4.07Å; L156-V171 HydrophobicContact CD1-CB 4.45Å; L156-V171 HydrophobicContact CD1-CG1 3.88Å; L156-V171 HydrophobicContact CD1-CG2 4.01Å; L156-V171 HydrophobicContact CG-CG1 4.12Å; L159-V171 HydrophobicContact CB-CG2 3.66Å; L159-V171 HydrophobicContact CD1-CG2 4.45Å; L160-V171 HydrophobicContact CD2-CB 4.12Å; L160-V171 HydrophobicContact CD2-CG1 3.66Å; L160-V171 HydrophobicContact CG-CG1 3.81Å; I167-V171 WeakPolarHBondContact O-CG2 3.3Å; I167-V171 PolarHBondContact O-N 2.87Å; S168-V171 PolarHBondContact O-N 3.19Å; L169-V171 PolarHBondContact O-N 2.9Å; V171-D173 VanDerWaalsContact C-N 3.33Å; V171-L174 PolarHBondContact O-N 2.86Å; V171-L175 HydrophobicContact CG1-CD1 3.91Å; V171-L175 HydrophobicContact CG1-CG 4.3Å; V171-L175 WeakPolarHBondContact O-CB 3.5Å; V171-L175 VanDerWaalsContact O-CG 3.31Å; V171-L175 WeakPolarHBondContact O-CG 3.35Å; V171-L175 PolarHBondContact O-N 3.17Å
172	I	98.7	Very high	96.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.8	-45.4	173.9	-72.4	162.5	0	0	0	110.3	L160 S168 L169 L174 L175 H176 N211 K228 T229 I232	L160-I172 HydrophobicContact CD2-CG1 3.97Å; S168-I172 WeakPolarHBondContact O-CG1 3.32Å; S168-I172 PolarHBondContact O-N 3.23Å; L169-I172 HydrophobicContact CD2-CD1 4.18Å; L169-I172 CarbonylContact O-C 3.56Å; L169-I172 WeakPolarHBondContact O-CA 3.5Å; L169-I172 WeakPolarHBondContact O-CB 3.5Å; L169-I172 PolarHBondContact O-N 3.28Å; I172-L174 PolarHBondContact O-N 2.94Å; I172-L175 PolarHBondContact O-N 3.26Å; I172-H176 WeakPolarHBondContact O-CB 3.39Å; I172-H176 PolarHBondContact O-N 3.35Å; I172-N211 WeakPolarHBondContact CD1-ND2 3.36Å; I172-K228 HydrophobicContact CG2-CB 3.58Å; I172-K228 HydrophobicContact CG2-CD 4.44Å; I172-T229 WeakPolarHBondContact CD1-OG1 3.38Å; I172-I232 HydrophobicContact CG2-CD1 4.25Å
173	D	98.6	Very high	96.5	Very high	42 Å²	42	34.8 Å²	34.8	23%	0.225	18%	0.182	C	C	.	.	H	α-helix	trans	-58.9	-47.9	178.2	-67	-28.6	0	0	0	110.8	L169 V171 L175 H176 E177 K228	L169-D173 PolarHBondContact O-N 2.83Å; V171-D173 VanDerWaalsContact C-N 3.33Å; D173-L175 PolarHBondContact O-N 3.08Å; D173-H176 PolarHBondContact O-N 3.25Å; D173-E177 WeakPolarHBondContact O-CG 3.34Å; D173-E177 PolarHBondContact O-N 3.47Å; D173-K228 WeakPolarHBondContact OD1-CD 3.45Å; D173-K228 VanDerWaalsContact OD1-CE 3.31Å; D173-K228 WeakPolarHBondContact OD1-CE 3.49Å; D173-K228 IonicContact OD1-NZ 2.89Å; D173-K228 PolarHBondContact OD1-NZ 3.29Å
174	L	98.5	Very high	96.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.6	-47	175.7	177.1	59.2	0	0	0	112.5	L130 M133 Q134 L156 S170 V171 I172 H176 E177 L178	L130-L174 HydrophobicContact CD2-CD2 4.12Å; M133-L174 HydrophobicContact CB-CD1 3.84Å; M133-L174 HydrophobicContact CB-CD2 3.76Å; M133-L174 HydrophobicContact CB-CG 4.49Å; M133-L174 HydrophobicContact CE-CD2 4.33Å; M133-L174 HydrophobicContact SD-CD2 4.27Å; Q134-L174 HydrophobicContact CB-CD1 4.35Å; Q134-L174 HydrophobicContact CG-CB 4.36Å; Q134-L174 HydrophobicContact CG-CD1 3.83Å; L156-L174 HydrophobicContact CD1-CD2 3.87Å; L156-L174 HydrophobicContact CD2-CD2 4.03Å; S170-L174 PolarHBondContact O-N 3.01Å; V171-L174 PolarHBondContact O-N 2.86Å; I172-L174 PolarHBondContact O-N 2.94Å; L174-H176 VanDerWaalsContact C-N 3.32Å; L174-H176 PolarHBondContact O-N 2.76Å; L174-E177 PolarHBondContact O-N 3.03Å; L174-L178 HydrophobicContact CD1-CD1 3.78Å; L174-L178 HydrophobicContact CD1-CG 3.93Å; L174-L178 HydrophobicContact CG-CD1 3.85Å; L174-L178 HydrophobicContact CG-CG 4.38Å; L174-L178 WeakPolarHBondContact O-CB 3.39Å; L174-L178 WeakPolarHBondContact O-CG 3.46Å; L174-L178 PolarHBondContact O-N 3.39Å
175	L	98.5	Very high	96.2	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.8	-35.6	179	-71.1	172.8	0	0	0	112.2	L156 L157 L160 V171 I172 D173 L178 L179 L199 L204 L208 I232	L156-L175 HydrophobicContact CD2-CD2 4.27Å; L157-L175 HydrophobicContact CD2-CD1 4.41Å; L160-L175 HydrophobicContact CD1-CD1 4.26Å; L160-L175 HydrophobicContact CD2-CD1 4.4Å; V171-L175 HydrophobicContact CG1-CD1 3.91Å; V171-L175 HydrophobicContact CG1-CG 4.3Å; V171-L175 WeakPolarHBondContact O-CB 3.5Å; V171-L175 VanDerWaalsContact O-CG 3.31Å; V171-L175 WeakPolarHBondContact O-CG 3.35Å; V171-L175 PolarHBondContact O-N 3.17Å; I172-L175 PolarHBondContact O-N 3.26Å; D173-L175 PolarHBondContact O-N 3.08Å; L175-L178 PolarHBondContact O-N 3.42Å; L175-L179 HydrophobicContact CB-CD1 4.47Å; L175-L179 HydrophobicContact CD2-CD1 4.48Å; L175-L179 WeakPolarHBondContact O-CB 3.2Å; L175-L179 VanDerWaalsContact O-CG 3.23Å; L175-L179 WeakPolarHBondContact O-CG 3.39Å; L175-L179 PolarHBondContact O-N 3.25Å; L175-L199 HydrophobicContact CD2-CD2 4.46Å; L175-L204 HydrophobicContact CD1-CD1 3.95Å; L175-L208 HydrophobicContact CD1-CD2 4.24Å; L175-I232 HydrophobicContact CB-CD1 3.71Å
176	H	98.1	Very high	95.9	Very high	58 Å²	58	38.9 Å²	38.9	27%	0.269	20%	0.198	S	C	.	.	H	α-helix	trans	-63.9	-46.6	178	-177.3	-96.7	0	0	0	111.3	I172 D173 L174 L179 E180 K228 I232	I172-H176 WeakPolarHBondContact O-CB 3.39Å; I172-H176 PolarHBondContact O-N 3.35Å; D173-H176 PolarHBondContact O-N 3.25Å; L174-H176 VanDerWaalsContact C-N 3.32Å; L174-H176 PolarHBondContact O-N 2.76Å; H176-L179 PolarHBondContact O-N 3.32Å; H176-E180 PolarHBondContact O-N 3.06Å; H176-K228 HydrophobicContact CB-CB 4.4Å; H176-K228 PolarHBondContact CD2-O 3.37Å; H176-I232 HydrophobicContact CB-CD1 4.09Å; H176-I232 HydrophobicContact CB-CG1 3.98Å
177	E	97.4	Very high	95.4	Very high	81 Å²	81	36.1 Å²	36.1	38%	0.379	19%	0.186	S	C	.	.	H	α-helix	trans	-65.2	-45.1	174.5	-62.7	-62	149.1	0	0	111.5	Q134 A137 D173 L174 L179	Q134-E177 HydrophobicContact CG-CG 4.5Å; A137-E177 HydrophobicContact CB-CB 3.87Å; A137-E177 WeakPolarHBondContact CB-O 3.43Å; D173-E177 WeakPolarHBondContact O-CG 3.34Å; D173-E177 PolarHBondContact O-N 3.47Å; L174-E177 PolarHBondContact O-N 3.03Å; E177-L179 PolarHBondContact O-N 2.92Å
178	L	97.4	Very high	95	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-66.3	-25.9	-178.6	-72	175.1	0	0	0	113.6	L136 A137 Y143 L174 L175 F195	L136-L178 HydrophobicContact CB-CD2 3.91Å; A137-L178 HydrophobicContact CB-CD2 4.18Å; Y143-L178 HydrophobicContact CE1-CD2 3.97Å; Y143-L178 WeakPolarHBondContact CE2-O 3.43Å; Y143-L178 WeakPolarHBondContact OH-CA 3.38Å; Y143-L178 WeakPolarHBondContact OH-CD2 3.44Å; Y143-L178 PolarHBondContact OH-O 3.32Å; L174-L178 HydrophobicContact CD1-CD1 3.78Å; L174-L178 HydrophobicContact CD1-CG 3.93Å; L174-L178 HydrophobicContact CG-CD1 3.85Å; L174-L178 HydrophobicContact CG-CG 4.38Å; L174-L178 WeakPolarHBondContact O-CB 3.39Å; L174-L178 WeakPolarHBondContact O-CG 3.46Å; L174-L178 PolarHBondContact O-N 3.39Å; L175-L178 PolarHBondContact O-N 3.42Å; L178-F195 HydrophobicContact CD1-CZ 4.3Å
179	L	97	Very high	94.4	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	13.9	-172.5	-60.1	173.9	0	0	0	113.5	L175 H176 E177 F181 L184 F195 L196 L199 L204 I232 S235 L236	L175-L179 HydrophobicContact CB-CD1 4.47Å; L175-L179 HydrophobicContact CD2-CD1 4.48Å; L175-L179 WeakPolarHBondContact O-CB 3.2Å; L175-L179 VanDerWaalsContact O-CG 3.23Å; L175-L179 WeakPolarHBondContact O-CG 3.39Å; L175-L179 PolarHBondContact O-N 3.25Å; H176-L179 PolarHBondContact O-N 3.32Å; E177-L179 PolarHBondContact O-N 2.92Å; L179-F181 PolarHBondContact O-N 3.29Å; L179-L184 HydrophobicContact CD2-CD1 4.28Å; L179-F195 HydrophobicContact CD2-CE1 4.15Å; L179-L196 HydrophobicContact CD2-CD2 3.76Å; L179-L199 HydrophobicContact CD1-CD1 4.22Å; L179-L199 HydrophobicContact CD2-CD1 3.79Å; L179-L204 HydrophobicContact CD1-CD2 3.99Å; L179-I232 HydrophobicContact CB-CG2 4.49Å; L179-I232 HydrophobicContact CD1-CG2 3.63Å; L179-S235 WeakPolarHBondContact O-CB 3.11Å; L179-L236 HydrophobicContact CD1-CD1 4.48Å; L179-L236 HydrophobicContact CD1-CD2 4.42Å; L179-L236 HydrophobicContact CD2-CD2 4.36Å
180	E	94.7	Very high	93.9	Very high	77 Å²	77	44 Å²	44	36%	0.36	25%	0.252	S	S	.	.			trans	-60.2	121.4	175.9	-166.9	-165.1	152	0	0	111.3	H176 S182 C183 L184	H176-E180 PolarHBondContact O-N 3.06Å; E180-S182 VanDerWaalsContact C-N 3.34Å; E180-S182 PolarHBondContact O-N 2.97Å; E180-S182 PolarHBondContact OE1-OG 2.67Å; E180-C183 PolarHBondContact O-N 3.4Å; E180-L184 WeakPolarHBondContact O-CG 3.42Å; E180-L184 PolarHBondContact O-N 2.88Å
181	F	92	Very high	93.3	Very high	47 Å²	47	48.5 Å²	48.5	21%	0.206	27%	0.269	C	S	.	.	H	α-helix	trans	-51.7	-47.2	-175.5	174.4	-104.4	0	0	0	113.9	L179 C183 L184 Q185 E238 I239	L179-F181 PolarHBondContact O-N 3.29Å; F181-C183 VanDerWaalsContact C-N 3.35Å; F181-C183 PolarHBondContact O-N 2.95Å; F181-L184 PolarHBondContact O-N 2.64Å; F181-Q185 HydrophobicContact CZ-CB 4.35Å; F181-Q185 HydrophobicContact CZ-CG 4.43Å; F181-Q185 WeakPolarHBondContact O-CB 3.49Å; F181-Q185 PolarHBondContact O-N 3.28Å; F181-E238 WeakPolarHBondContact CD1-OE2 3.14Å; F181-E238 HydrophobicContact CD2-CB 3.59Å; F181-E238 WeakPolarHBondContact CD2-OE2 3.5Å; F181-E238 WeakPolarHBondContact CE1-OE2 3.43Å; F181-E238 HydrophobicContact CE2-CB 3.65Å; F181-E238 HydrophobicContact CG-CB 4.3Å; F181-E238 WeakPolarHBondContact CG-OE2 3.49Å; F181-E238 HydrophobicContact CZ-CB 4.39Å; F181-I239 HydrophobicContact CD2-CD1 4.26Å; F181-I239 HydrophobicContact CD2-CG1 3.6Å; F181-I239 HydrophobicContact CE2-CG1 4Å
182	S	90.5	Very high	93	Very high	60 Å²	60	48.5 Å²	48.5	42%	0.42	27%	0.27	S	S	.	.	H	α-helix	trans	-54.8	-49.8	-177.4	-6.7	0	0	0	0	111.8	E180 Q185 E186	E180-S182 VanDerWaalsContact C-N 3.34Å; E180-S182 PolarHBondContact O-N 2.97Å; E180-S182 PolarHBondContact OE1-OG 2.67Å; S182-Q185 PolarHBondContact O-N 2.72Å; S182-E186 WeakPolarHBondContact O-CB 3.28Å; S182-E186 PolarHBondContact O-N 3.19Å; S182-E186 VanDerWaalsContact O-N 3.08Å
183	C	90.8	Very high	92.8	Very high	41 Å²	41	51.3 Å²	51.3	28%	0.277	29%	0.285	S	S	.	.	H	α-helix	trans	-67.2	-41.8	-177.7	-64.8	0	0	0	0	111.5	P140 E180 F181 E186 A187	P140-C183 HydrophobicContact CG-CB 4.39Å; E180-C183 PolarHBondContact O-N 3.4Å; F181-C183 VanDerWaalsContact C-N 3.35Å; F181-C183 PolarHBondContact O-N 2.95Å; C183-E186 PolarHBondContact O-N 3.27Å; C183-A187 PolarHBondContact O-N 3Å; C183-A187 VanDerWaalsContact O-N 3.15Å
184	L	92.1	Very high	92.6	Very high	1 Å²	1	54 Å²	54	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-68.2	-38.7	179	-61.8	-172.6	0	0	0	112.5	P140 Y143 L179 E180 F181 G188 V192 I239	P140-L184 HydrophobicContact CB-CD2 4.35Å; Y143-L184 HydrophobicContact CD2-CD2 4.11Å; Y143-L184 HydrophobicContact CE2-CD2 3.46Å; Y143-L184 VanDerWaalsContact CE2-CD2 3.46Å; L179-L184 HydrophobicContact CD2-CD1 4.28Å; E180-L184 WeakPolarHBondContact O-CG 3.42Å; E180-L184 PolarHBondContact O-N 2.88Å; F181-L184 PolarHBondContact O-N 2.64Å; L184-G188 PolarHBondContact O-N 3.2Å; L184-V192 HydrophobicContact CB-CG2 4.47Å; L184-V192 HydrophobicContact CD2-CB 4.3Å; L184-V192 HydrophobicContact CD2-CG1 3.88Å; L184-I239 HydrophobicContact CB-CD1 3.81Å; L184-I239 HydrophobicContact CD1-CD1 3.3Å; L184-I239 HydrophobicContact CG-CD1 4.15Å
185	Q	89.8	Confident	92.5	Very high	117 Å²	117	54.1 Å²	54.1	55%	0.547	30%	0.296	S	S	.	.	H	α-helix	trans	-65.3	-43	176.4	-172.1	176.8	53.1	0	0	111.4	F181 S182 G188	F181-Q185 HydrophobicContact CZ-CB 4.35Å; F181-Q185 HydrophobicContact CZ-CG 4.43Å; F181-Q185 WeakPolarHBondContact O-CB 3.49Å; F181-Q185 PolarHBondContact O-N 3.28Å; S182-Q185 PolarHBondContact O-N 2.72Å; Q185-G188 PolarHBondContact O-N 3.15Å
186	E	89.9	Confident	92.3	Very high	175 Å²	175	54.1 Å²	54.1	82%	0.818	30%	0.296	S	S	*	.	H	α-helix	trans	-64.2	-41.1	179.5	-176.2	168.8	-165.5	0	0	112.7	S182 C183 G188	S182-E186 WeakPolarHBondContact O-CB 3.28Å; S182-E186 PolarHBondContact O-N 3.19Å; S182-E186 VanDerWaalsContact O-N 3.08Å; C183-E186 PolarHBondContact O-N 3.27Å; E186-G188 PolarHBondContact O-N 3.17Å
187	A	88.4	Confident	92.2	Very high	20 Å²	20	55 Å²	55	17%	0.165	30%	0.301	C	S	.	.	H	α-helix	trans	-68.6	-23.3	179.2	0	0	0	0	0	114	P140 C183 V192	P140-A187 HydrophobicContact CB-CB 3.58Å; P140-A187 HydrophobicContact CG-CB 4.01Å; C183-A187 PolarHBondContact O-N 3Å; C183-A187 VanDerWaalsContact O-N 3.15Å; A187-V192 HydrophobicContact CB-CG1 4.48Å
188	G	88.5	Confident	92.2	Very high	29 Å²	29	52.7 Å²	52.7	30%	0.299	29%	0.292	S	S	.	.			trans	98.1	118.7	-179.6	0	0	0	0	0	112.6	L184 Q185 E186 G190 K191	L184-G188 PolarHBondContact O-N 3.2Å; Q185-G188 PolarHBondContact O-N 3.15Å; E186-G188 PolarHBondContact O-N 3.17Å; G188-G190 PolarHBondContact O-N 2.7Å; G188-K191 PolarHBondContact O-N 3.44Å
189	L	85.6	Confident	92.2	Very high	77 Å²	77	52.5 Å²	52.5	40%	0.403	29%	0.291	S	S	.	.	H	α-helix	trans	-52.7	-33.5	-173	-62.2	-174.2	0	0	0	114.2	K191 V192 N193 I239	L189-K191 VanDerWaalsContact C-N 3.29Å; L189-K191 PolarHBondContact O-N 2.92Å; L189-V192 HydrophobicContact CD2-CG2 4.41Å; L189-V192 WeakPolarHBondContact O-CG2 3.33Å; L189-V192 PolarHBondContact O-N 3.46Å; L189-N193 WeakPolarHBondContact O-CB 3.43Å; L189-N193 PolarHBondContact O-N 3.16Å; L189-I239 HydrophobicContact CD1-CG2 4.42Å; L189-I239 HydrophobicContact CD2-CG1 4.47Å; L189-I239 HydrophobicContact CD2-CG2 3.65Å
190	G	87.6	Confident	92.2	Very high	74 Å²	74	53.4 Å²	53.4	76%	0.763	30%	0.295	S	S	*	.	H	α-helix	trans	-61.5	-31.1	177.8	0	0	0	0	0	114.5	G188	G188-G190 PolarHBondContact O-N 2.7Å
191	K	86.7	Confident	92.3	Very high	114 Å²	114	54.4 Å²	54.4	50%	0.496	31%	0.31	S	S	.	.	H	α-helix	trans	-79.4	-39.3	179.6	-63.6	-176.6	-173.2	167.1	0	112.3	P144 G188 L189	P144-K191 WeakPolarHBondContact CG-O 3.39Å; G188-K191 PolarHBondContact O-N 3.44Å; L189-K191 VanDerWaalsContact C-N 3.29Å; L189-K191 PolarHBondContact O-N 2.92Å
192	V	91.9	Very high	92.5	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	32%	0.316	C	S	.	.	H	α-helix	trans	-82.9	-16.7	-177.8	-59.2	0	0	0	0	112.4	P140 Y143 L184 A187 L189 Q194 F195 L196	P140-V192 HydrophobicContact CB-CG1 4.14Å; Y143-V192 HydrophobicContact CD2-CB 4.12Å; Y143-V192 HydrophobicContact CD2-CG1 3.8Å; Y143-V192 HydrophobicContact CE2-CG1 4.48Å; Y143-V192 HydrophobicContact CG-CG1 4.36Å; L184-V192 HydrophobicContact CB-CG2 4.47Å; L184-V192 HydrophobicContact CD2-CB 4.3Å; L184-V192 HydrophobicContact CD2-CG1 3.88Å; A187-V192 HydrophobicContact CB-CG1 4.48Å; L189-V192 HydrophobicContact CD2-CG2 4.41Å; L189-V192 WeakPolarHBondContact O-CG2 3.33Å; L189-V192 PolarHBondContact O-N 3.46Å; V192-Q194 VanDerWaalsContact C-N 3.27Å; V192-Q194 PolarHBondContact O-N 3.3Å; V192-F195 WeakPolarHBondContact O-CB 3.39Å; V192-F195 PolarHBondContact O-N 3.26Å; V192-L196 HydrophobicContact CG2-CD1 4.48Å; V192-L196 PolarHBondContact O-N 3.16Å; V192-L196 VanDerWaalsContact O-N 3.11Å
193	N	93.9	Very high	92.7	Very high	59 Å²	59	56 Å²	56	32%	0.316	32%	0.32	S	S	.	.	H	α-helix	trans	-55.8	-40.3	-175.2	-158.4	63.4	0	0	0	113	L189 F195 L196 E197 R240	L189-N193 WeakPolarHBondContact O-CB 3.43Å; L189-N193 PolarHBondContact O-N 3.16Å; N193-F195 VanDerWaalsContact C-N 3.3Å; N193-F195 PolarHBondContact O-N 3.14Å; N193-L196 PolarHBondContact O-N 3.32Å; N193-E197 WeakPolarHBondContact O-CG 3.47Å; N193-E197 PolarHBondContact O-N 3.15Å; N193-R240 PolarHBondContact OD1-NH1 3.42Å
194	Q	94.3	Very high	93.1	Very high	97 Å²	97	54.1 Å²	54.1	45%	0.453	31%	0.307	S	S	.	.	H	α-helix	trans	-61.1	-39.4	178.8	-169	-176.6	1.1	0	0	112	A147 V192 E197 V198	A147-Q194 HydrophobicContact CB-CB 4.15Å; A147-Q194 HydrophobicContact CB-CG 3.77Å; V192-Q194 VanDerWaalsContact C-N 3.27Å; V192-Q194 PolarHBondContact O-N 3.3Å; Q194-E197 PolarHBondContact O-N 2.9Å; Q194-V198 WeakPolarHBondContact O-CG2 3.47Å; Q194-V198 PolarHBondContact O-N 2.97Å
195	F	96.4	Very high	93.4	Very high	3 Å²	3	54.1 Å²	54.1	1%	0.013	31%	0.307	C	S	.	.	H	α-helix	trans	-67.4	-43.2	176.1	177.2	-119.9	0	0	0	111.5	Y143 L146 A147 I153 L178 L179 V192 N193 E197 V198 L199	Y143-F195 HydrophobicContact CD2-CB 4.21Å; Y143-F195 AromaticContact CD2-CD1 3.43Å; Y143-F195 HydrophobicContact CD2-CD1 3.43Å; Y143-F195 VanDerWaalsContact CD2-CD1 3.43Å; Y143-F195 HydrophobicContact CD2-CE1 4.05Å; Y143-F195 HydrophobicContact CD2-CG 4.05Å; Y143-F195 AromaticContact CE2-CD1 3.72Å; Y143-F195 HydrophobicContact CE2-CD1 3.72Å; Y143-F195 AromaticContact CE2-CE1 3.89Å; Y143-F195 HydrophobicContact CE2-CE1 3.89Å; Y143-F195 HydrophobicContact CG-CB 4.48Å; Y143-F195 HydrophobicContact CG-CD1 4.18Å; Y143-F195 HydrophobicContact CG-CG 4.42Å; L146-F195 HydrophobicContact CD2-CD2 4.07Å; L146-F195 HydrophobicContact CD2-CE1 4.44Å; L146-F195 HydrophobicContact CD2-CE2 3.58Å; L146-F195 HydrophobicContact CD2-CZ 3.78Å; L146-F195 HydrophobicContact CG-CD2 4.06Å; L146-F195 HydrophobicContact CG-CE2 3.8Å; L146-F195 HydrophobicContact CG-CZ 4.49Å; A147-F195 HydrophobicContact CB-CB 4.06Å; I153-F195 HydrophobicContact CD1-CD2 3.92Å; I153-F195 HydrophobicContact CD1-CE2 3.76Å; I153-F195 HydrophobicContact CG1-CE2 4.26Å; L178-F195 HydrophobicContact CD1-CZ 4.3Å; L179-F195 HydrophobicContact CD2-CE1 4.15Å; V192-F195 WeakPolarHBondContact O-CB 3.39Å; V192-F195 PolarHBondContact O-N 3.26Å; N193-F195 VanDerWaalsContact C-N 3.3Å; N193-F195 PolarHBondContact O-N 3.14Å; F195-E197 VanDerWaalsContact C-N 3.35Å; F195-E197 PolarHBondContact O-N 3.12Å; F195-V198 PolarHBondContact O-N 3.31Å; F195-L199 HydrophobicContact CD1-CD1 3.96Å; F195-L199 HydrophobicContact CE1-CD1 3.52Å; F195-L199 HydrophobicContact CE1-CG 4.34Å; F195-L199 HydrophobicContact CE2-CD1 4.19Å; F195-L199 HydrophobicContact CE2-CD2 4.27Å; F195-L199 HydrophobicContact CE2-CG 4.14Å; F195-L199 HydrophobicContact CG-CD1 4.49Å; F195-L199 HydrophobicContact CZ-CD1 3.65Å; F195-L199 HydrophobicContact CZ-CD2 4.17Å; F195-L199 HydrophobicContact CZ-CG 4.06Å; F195-L199 WeakPolarHBondContact O-CG 3.44Å; F195-L199 PolarHBondContact O-N 2.98Å
196	L	96.2	Very high	93.7	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-59.9	-43.3	175.2	-61.7	179.3	0	0	0	111.8	L179 V192 N193 V198 L199 F200 L236 I239 R240	L179-L196 HydrophobicContact CD2-CD2 3.76Å; V192-L196 HydrophobicContact CG2-CD1 4.48Å; V192-L196 PolarHBondContact O-N 3.16Å; V192-L196 VanDerWaalsContact O-N 3.11Å; N193-L196 PolarHBondContact O-N 3.32Å; L196-V198 VanDerWaalsContact C-N 3.29Å; L196-V198 PolarHBondContact O-N 3.12Å; L196-L199 PolarHBondContact O-N 3.38Å; L196-F200 HydrophobicContact CB-CD2 4.42Å; L196-F200 HydrophobicContact CB-CE2 4.46Å; L196-F200 WeakPolarHBondContact O-CD2 3.35Å; L196-F200 PolarHBondContact O-N 3.26Å; L196-L236 HydrophobicContact CD2-CD2 3.92Å; L196-I239 HydrophobicContact CD1-CG2 3.79Å; L196-R240 HydrophobicContact CD1-CG 4.36Å
197	E	95.8	Very high	94.1	Very high	76 Å²	76	44.6 Å²	44.6	36%	0.355	27%	0.265	S	S	.	.	H	α-helix	trans	-58	-41.3	175.9	-69.3	-49.9	139.9	0	0	112.2	N193 Q194 F195 S201 R240	N193-E197 WeakPolarHBondContact O-CG 3.47Å; N193-E197 PolarHBondContact O-N 3.15Å; Q194-E197 PolarHBondContact O-N 2.9Å; F195-E197 VanDerWaalsContact C-N 3.35Å; F195-E197 PolarHBondContact O-N 3.12Å; E197-S201 WeakPolarHBondContact O-CB 3.49Å; E197-S201 PolarHBondContact O-N 3.45Å; E197-S201 PolarHBondContact O-OG 2.97Å; E197-R240 IonicContact OE1-CZ 2.7Å; E197-R240 IonicContact OE1-NH1 3.91Å; E197-R240 PolarHBondContact OE1-NH1 3.06Å; E197-R240 IonicContact OE1-NH2 3.71Å; E197-R240 PolarHBondContact OE1-NH2 3.35Å
198	V	97	Very high	94.6	Very high	32 Å²	32	43.6 Å²	43.6	19%	0.194	26%	0.257	C	S	.	.	H	α-helix	trans	-65.6	-43	177.8	175.5	0	0	0	0	110.7	A147 T150 I153 Q194 F195 L196 S201 G202	A147-V198 HydrophobicContact CB-CG2 4.29Å; T150-V198 HydrophobicContact CG2-CG1 4.27Å; T150-V198 HydrophobicContact CG2-CG2 4.41Å; I153-V198 HydrophobicContact CB-CG1 4.29Å; I153-V198 HydrophobicContact CD1-CG1 3.83Å; I153-V198 HydrophobicContact CG2-CG1 3.96Å; Q194-V198 WeakPolarHBondContact O-CG2 3.47Å; Q194-V198 PolarHBondContact O-N 2.97Å; F195-V198 PolarHBondContact O-N 3.31Å; L196-V198 VanDerWaalsContact C-N 3.29Å; L196-V198 PolarHBondContact O-N 3.12Å; V198-S201 PolarHBondContact O-N 3.35Å; V198-G202 PolarHBondContact O-N 3.48Å
199	L	97.9	Very high	95.1	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-64	-45.8	177.1	-70.2	174.4	0	0	0	112.6	I153 L157 L175 L179 F195 L196 G202 Q203 L204	I153-L199 HydrophobicContact CG2-CD2 3.79Å; L157-L199 HydrophobicContact CD1-CD2 4.41Å; L157-L199 HydrophobicContact CD2-CD2 4.13Å; L175-L199 HydrophobicContact CD2-CD2 4.46Å; L179-L199 HydrophobicContact CD1-CD1 4.22Å; L179-L199 HydrophobicContact CD2-CD1 3.79Å; F195-L199 HydrophobicContact CD1-CD1 3.96Å; F195-L199 HydrophobicContact CE1-CD1 3.52Å; F195-L199 HydrophobicContact CE1-CG 4.34Å; F195-L199 HydrophobicContact CE2-CD1 4.19Å; F195-L199 HydrophobicContact CE2-CD2 4.27Å; F195-L199 HydrophobicContact CE2-CG 4.14Å; F195-L199 HydrophobicContact CG-CD1 4.49Å; F195-L199 HydrophobicContact CZ-CD1 3.65Å; F195-L199 HydrophobicContact CZ-CD2 4.17Å; F195-L199 HydrophobicContact CZ-CG 4.06Å; F195-L199 WeakPolarHBondContact O-CG 3.44Å; F195-L199 PolarHBondContact O-N 2.98Å; L196-L199 PolarHBondContact O-N 3.38Å; L199-G202 CarbonylContact O-C 3.57Å; L199-G202 WeakPolarHBondContact O-CA 3.47Å; L199-G202 PolarHBondContact O-N 2.74Å; L199-G202 VanDerWaalsContact O-N 3.15Å; L199-Q203 PolarHBondContact O-N 3Å; L199-L204 HydrophobicContact CB-CB 4.34Å; L199-L204 HydrophobicContact CB-CD2 4.04Å; L199-L204 HydrophobicContact CD1-CD2 4.29Å; L199-L204 VanDerWaalsContact O-CB 3.31Å; L199-L204 WeakPolarHBondContact O-CB 3.28Å; L199-L204 PolarHBondContact O-N 3.39Å
200	F	96.7	Very high	95.7	Very high	19 Å²	19	44.5 Å²	44.5	8%	0.083	25%	0.252	C	S	.	.	H	α-helix	trans	-64.9	-40.8	176.6	-80.4	-66	0	0	0	111.8	L196 G202 Q203 I205 L236 R240 M243 M247	L196-F200 HydrophobicContact CB-CD2 4.42Å; L196-F200 HydrophobicContact CB-CE2 4.46Å; L196-F200 WeakPolarHBondContact O-CD2 3.35Å; L196-F200 PolarHBondContact O-N 3.26Å; F200-G202 PolarHBondContact O-N 2.94Å; F200-Q203 PolarHBondContact O-N 3.24Å; F200-I205 HydrophobicContact CD1-CG1 4.47Å; F200-I205 HydrophobicContact CE1-CD1 4.24Å; F200-I205 HydrophobicContact CE1-CG1 4.03Å; F200-L236 HydrophobicContact CE2-CD2 4.34Å; F200-L236 HydrophobicContact CZ-CB 4.49Å; F200-L236 HydrophobicContact CZ-CD1 4.45Å; F200-L236 HydrophobicContact CZ-CD2 4.21Å; F200-R240 HydrophobicContact CE2-CG 4.29Å; F200-M243 HydrophobicContact CD1-CE 3.95Å; F200-M243 HydrophobicContact CE1-CE 4.2Å; F200-M243 HydrophobicContact CG-CE 4.25Å; F200-M247 HydrophobicContact CE1-CG 4.09Å; F200-M247 HydrophobicContact CE1-SD 4.25Å; F200-M247 HydrophobicContact CZ-SD 4.25Å
201	S	95.6	Very high	96.2	Very high	98 Å²	98	41.1 Å²	41.1	69%	0.685	22%	0.216	S	C	*	.	H	α-helix	trans	-61.1	-31.1	173.3	-61.1	0	0	0	0	112.1	E197 V198 Q203	E197-S201 WeakPolarHBondContact O-CB 3.49Å; E197-S201 PolarHBondContact O-N 3.45Å; E197-S201 PolarHBondContact O-OG 2.97Å; V198-S201 PolarHBondContact O-N 3.35Å; S201-Q203 PolarHBondContact O-N 3.38Å
202	G	96	Very high	96.7	Very high	31 Å²	31	35.8 Å²	35.8	32%	0.32	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	11.5	173.4	0	0	0	0	0	115.4	L157 V198 L199 F200 L204	L157-G202 WeakPolarHBondContact CD1-O 3.19Å; V198-G202 PolarHBondContact O-N 3.48Å; L199-G202 CarbonylContact O-C 3.57Å; L199-G202 WeakPolarHBondContact O-CA 3.47Å; L199-G202 PolarHBondContact O-N 2.74Å; L199-G202 VanDerWaalsContact O-N 3.15Å; F200-G202 PolarHBondContact O-N 2.94Å; G202-L204 VanDerWaalsContact C-N 3.33Å; G202-L204 PolarHBondContact O-N 3.49Å
203	Q	95.9	Very high	97	Very high	111 Å²	111	38.6 Å²	38.6	52%	0.519	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	41	-179.4	-56.5	-178.1	-14.7	0	0	113.5	L199 F200 S201 I205 Q206 S207	L199-Q203 PolarHBondContact O-N 3Å; F200-Q203 PolarHBondContact O-N 3.24Å; S201-Q203 PolarHBondContact O-N 3.38Å; Q203-I205 PolarHBondContact O-N 2.81Å; Q203-Q206 HydrophobicContact CB-CB 4.25Å; Q203-Q206 PolarHBondContact O-N 3.31Å; Q203-S207 WeakPolarHBondContact O-CB 3.49Å; Q203-S207 PolarHBondContact O-N 3.26Å; Q203-S207 PolarHBondContact O-OG 2.97Å
204	L	98.3	Very high	97.1	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-48.4	-52.5	-179.5	172.8	63.9	0	0	0	112.7	L157 L175 L179 L199 G202 Q206 S207 L208 L236	L157-L204 HydrophobicContact CD2-CD1 3.62Å; L175-L204 HydrophobicContact CD1-CD1 3.95Å; L179-L204 HydrophobicContact CD1-CD2 3.99Å; L199-L204 HydrophobicContact CB-CB 4.34Å; L199-L204 HydrophobicContact CB-CD2 4.04Å; L199-L204 HydrophobicContact CD1-CD2 4.29Å; L199-L204 VanDerWaalsContact O-CB 3.31Å; L199-L204 WeakPolarHBondContact O-CB 3.28Å; L199-L204 PolarHBondContact O-N 3.39Å; G202-L204 VanDerWaalsContact C-N 3.33Å; G202-L204 PolarHBondContact O-N 3.49Å; L204-Q206 PolarHBondContact O-N 2.92Å; L204-S207 PolarHBondContact O-N 3.41Å; L204-L208 HydrophobicContact CD1-CD1 3.8Å; L204-L208 HydrophobicContact CD1-CD2 4.36Å; L204-L208 HydrophobicContact CD1-CG 3.85Å; L204-L208 HydrophobicContact CG-CD1 3.9Å; L204-L208 HydrophobicContact CG-CG 4.33Å; L204-L208 WeakPolarHBondContact O-CG 3.42Å; L204-L208 PolarHBondContact O-N 3.07Å; L204-L236 HydrophobicContact CD2-CD1 3.69Å
205	I	98.2	Very high	97.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.6	-47.7	-175.3	-50.7	-59	0	0	0	110.9	F200 Q203 S207 L208 I209 I233 L236 M247 Q250 L252	F200-I205 HydrophobicContact CD1-CG1 4.47Å; F200-I205 HydrophobicContact CE1-CD1 4.24Å; F200-I205 HydrophobicContact CE1-CG1 4.03Å; Q203-I205 PolarHBondContact O-N 2.81Å; I205-S207 VanDerWaalsContact C-N 3.26Å; I205-S207 PolarHBondContact O-N 3.4Å; I205-L208 PolarHBondContact O-N 3.31Å; I205-I209 HydrophobicContact CG2-CG1 4.25Å; I205-I209 VanDerWaalsContact O-CG1 3.27Å; I205-I209 WeakPolarHBondContact O-CG1 3.47Å; I205-I209 PolarHBondContact O-N 3.5Å; I205-I233 HydrophobicContact CD1-CG1 4.42Å; I205-L236 HydrophobicContact CD1-CD1 3.77Å; I205-M247 HydrophobicContact CD1-CE 3.61Å; I205-M247 HydrophobicContact CD1-CG 4.31Å; I205-M247 HydrophobicContact CG1-CB 4.36Å; I205-M247 HydrophobicContact CG1-CE 4.34Å; I205-M247 HydrophobicContact CG1-CG 3.99Å; I205-Q250 HydrophobicContact CB-CB 4.13Å; I205-Q250 HydrophobicContact CG2-CB 3.99Å; I205-L252 HydrophobicContact CG2-CB 4.38Å
206	Q	97.7	Very high	97.3	Very high	69 Å²	69	39.4 Å²	39.4	32%	0.322	21%	0.213	S	C	.	.	H	α-helix	trans	-57.5	-42	176.9	-172.7	175.8	19	0	0	111.8	Q203 L204 I209 Q210 Q250	Q203-Q206 HydrophobicContact CB-CB 4.25Å; Q203-Q206 PolarHBondContact O-N 3.31Å; L204-Q206 PolarHBondContact O-N 2.92Å; Q206-I209 PolarHBondContact O-N 3.22Å; Q206-Q210 WeakPolarHBondContact O-CB 3.35Å; Q206-Q210 VanDerWaalsContact O-CG 3.26Å; Q206-Q210 WeakPolarHBondContact O-CG 3.45Å; Q206-Q210 PolarHBondContact O-N 3.11Å; Q206-Q250 HydrophobicContact CB-CB 4.46Å
207	S	98.3	Very high	97.3	Very high	23 Å²	23	41.4 Å²	41.4	16%	0.161	22%	0.222	C	C	.	.	H	α-helix	trans	-66.4	-43.7	179.4	-56.6	0	0	0	0	112.1	Q203 L204 I205 Q210 N211	Q203-S207 WeakPolarHBondContact O-CB 3.49Å; Q203-S207 PolarHBondContact O-N 3.26Å; Q203-S207 PolarHBondContact O-OG 2.97Å; L204-S207 PolarHBondContact O-N 3.41Å; I205-S207 VanDerWaalsContact C-N 3.26Å; I205-S207 PolarHBondContact O-N 3.4Å; S207-Q210 PolarHBondContact O-N 3.43Å; S207-N211 PolarHBondContact O-N 3.4Å
208	L	98.7	Very high	97.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.3	-47.8	174.1	-73.1	175.3	0	0	0	111.3	L160 L175 L204 I205 Q210 N211 I212 T229 I232 I233	L160-L208 HydrophobicContact CD1-CD2 4.01Å; L160-L208 HydrophobicContact CD1-CG 4.4Å; L160-L208 HydrophobicContact CD2-CD2 4.14Å; L175-L208 HydrophobicContact CD1-CD2 4.24Å; L204-L208 HydrophobicContact CD1-CD1 3.8Å; L204-L208 HydrophobicContact CD1-CD2 4.36Å; L204-L208 HydrophobicContact CD1-CG 3.85Å; L204-L208 HydrophobicContact CG-CD1 3.9Å; L204-L208 HydrophobicContact CG-CG 4.33Å; L204-L208 WeakPolarHBondContact O-CG 3.42Å; L204-L208 PolarHBondContact O-N 3.07Å; I205-L208 PolarHBondContact O-N 3.31Å; L208-Q210 PolarHBondContact O-N 3.34Å; L208-N211 PolarHBondContact O-N 2.88Å; L208-I212 WeakPolarHBondContact O-CG1 3.27Å; L208-I212 PolarHBondContact O-N 3.43Å; L208-T229 HydrophobicContact CB-CG2 3.81Å; L208-T229 HydrophobicContact CD1-CG2 4.4Å; L208-T229 HydrophobicContact CD2-CG2 4.06Å; L208-T229 HydrophobicContact CG-CG2 4.3Å; L208-I232 HydrophobicContact CD1-CB 4.48Å; L208-I232 HydrophobicContact CD1-CG2 3.81Å; L208-I232 HydrophobicContact CD2-CD1 4.39Å; L208-I233 HydrophobicContact CD1-CG1 4.25Å
209	I	98.4	Very high	97.3	Very high	10 Å²	10	47 Å²	47	5%	0.051	25%	0.254	C	S	.	.	H	α-helix	trans	-65	-40.2	-179.9	-63.4	-55	0	0	0	112	I205 Q206 N211 I212 S213 I233 L252 W255	I205-I209 HydrophobicContact CG2-CG1 4.25Å; I205-I209 VanDerWaalsContact O-CG1 3.27Å; I205-I209 WeakPolarHBondContact O-CG1 3.47Å; I205-I209 PolarHBondContact O-N 3.5Å; Q206-I209 PolarHBondContact O-N 3.22Å; I209-N211 VanDerWaalsContact C-N 3.32Å; I209-I212 HydrophobicContact CD1-CD1 3.75Å; I209-I212 HydrophobicContact CD1-CG1 4.49Å; I209-I212 WeakPolarHBondContact O-CG1 3.36Å; I209-S213 VanDerWaalsContact O-CB 3.31Å; I209-S213 WeakPolarHBondContact O-CB 3.12Å; I209-S213 PolarHBondContact O-N 3.16Å; I209-S213 VanDerWaalsContact O-N 3.08Å; I209-S213 PolarHBondContact O-OG 3.39Å; I209-I233 HydrophobicContact CD1-CD1 3.94Å; I209-L252 HydrophobicContact CD1-CB 3.99Å; I209-L252 HydrophobicContact CD1-CD1 3.75Å; I209-L252 HydrophobicContact CD1-CG 4.48Å; I209-L252 HydrophobicContact CG1-CB 4.11Å; I209-W255 HydrophobicContact CG2-CB 3.95Å; I209-W255 HydrophobicContact CG2-CG 4.27Å
210	Q	97.9	Very high	97.3	Very high	114 Å²	114	55.4 Å²	55.4	53%	0.533	29%	0.29	S	S	.	.	H	α-helix	trans	-62.2	-41.2	173.9	-75.8	176.2	8.7	0	0	111.4	Q206 S207 L208 S213	Q206-Q210 WeakPolarHBondContact O-CB 3.35Å; Q206-Q210 VanDerWaalsContact O-CG 3.26Å; Q206-Q210 WeakPolarHBondContact O-CG 3.45Å; Q206-Q210 PolarHBondContact O-N 3.11Å; S207-Q210 PolarHBondContact O-N 3.43Å; L208-Q210 PolarHBondContact O-N 3.34Å; Q210-S213 PolarHBondContact O-N 3Å
211	N	98.4	Very high	97.4	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.016	31%	0.314	C	S	.	.	H	α-helix	trans	-64.9	-54.2	178	-170.9	36.6	0	0	0	112	L160 S168 I172 S207 L208 I209 S213 R214	L160-N211 HydrophobicContact CB-CB 4.3Å; L160-N211 PolarHBondContact O-OD1 3.45Å; S168-N211 PolarHBondContact OG-OD1 3.08Å; I172-N211 WeakPolarHBondContact CD1-ND2 3.36Å; S207-N211 PolarHBondContact O-N 3.4Å; L208-N211 PolarHBondContact O-N 2.88Å; I209-N211 VanDerWaalsContact C-N 3.32Å; N211-S213 PolarHBondContact O-N 3.34Å; N211-S213 VanDerWaalsContact O-N 3.1Å; N211-R214 WeakPolarHBondContact O-CG 3.31Å; N211-R214 PolarHBondContact O-N 2.99Å; N211-R214 PolarHBondContact OD1-NE 3.3Å; N211-R214 PolarHBondContact OD1-NH2 2.94Å
212	I	97.8	Very high	97.5	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.015	28%	0.284	C	S	.	.	H	α-helix	trans	-65.1	-19.6	-179.8	64.6	179.4	0	0	0	113.3	L208 I209 R214 L215 V226 T229 W255	L208-I212 WeakPolarHBondContact O-CG1 3.27Å; L208-I212 PolarHBondContact O-N 3.43Å; I209-I212 HydrophobicContact CD1-CD1 3.75Å; I209-I212 HydrophobicContact CD1-CG1 4.49Å; I209-I212 WeakPolarHBondContact O-CG1 3.36Å; I212-R214 VanDerWaalsContact C-N 3.28Å; I212-R214 PolarHBondContact O-N 3.29Å; I212-L215 HydrophobicContact CG2-CD1 4.3Å; I212-V226 HydrophobicContact CB-CG2 4.12Å; I212-V226 HydrophobicContact CG2-CG2 4.17Å; I212-T229 HydrophobicContact CD1-CG2 4.13Å; I212-T229 HydrophobicContact CG2-CG2 3.56Å; I212-T229 WeakPolarHBondContact CG2-OG1 3.48Å; I212-W255 HydrophobicContact CB-CZ2 4.19Å; I212-W255 HydrophobicContact CD1-CD2 3.75Å; I212-W255 HydrophobicContact CD1-CE3 3.88Å; I212-W255 HydrophobicContact CD1-CG 4.46Å; I212-W255 HydrophobicContact CD1-CH2 3.75Å; I212-W255 HydrophobicContact CD1-CZ2 3.59Å; I212-W255 HydrophobicContact CD1-CZ3 3.89Å; I212-W255 HydrophobicContact CG1-CD2 4.25Å; I212-W255 HydrophobicContact CG1-CH2 4.49Å; I212-W255 HydrophobicContact CG1-CZ2 3.85Å
213	S	97.2	Very high	97.6	Very high	60 Å²	60	55.1 Å²	55.1	42%	0.42	28%	0.277	S	S	.	.	H	α-helix	trans	-68.8	-24.3	175	-66.2	0	0	0	0	113.7	I209 Q210 N211	I209-S213 VanDerWaalsContact O-CB 3.31Å; I209-S213 WeakPolarHBondContact O-CB 3.12Å; I209-S213 PolarHBondContact O-N 3.16Å; I209-S213 VanDerWaalsContact O-N 3.08Å; I209-S213 PolarHBondContact O-OG 3.39Å; Q210-S213 PolarHBondContact O-N 3Å; N211-S213 PolarHBondContact O-N 3.34Å; N211-S213 VanDerWaalsContact O-N 3.1Å
214	R	96.5	Very high	97.7	Very high	94 Å²	94	53.4 Å²	53.4	36%	0.355	27%	0.271	S	S	.	.	H	α-helix	trans	-98.6	-11.6	179.3	61	161.8	-170.7	149.1	-6.4	114.1	L160 H162 S168 N211 I212	L160-R214 PolarHBondContact O-NH2 2.86Å; H162-R214 PolarHBondContact O-NH1 2.89Å; H162-R214 PolarHBondContact O-NH2 3.4Å; S168-R214 PolarHBondContact OG-NH2 2.89Å; S168-R214 VanDerWaalsContact OG-NH2 3.09Å; N211-R214 WeakPolarHBondContact O-CG 3.31Å; N211-R214 PolarHBondContact O-N 2.99Å; N211-R214 PolarHBondContact OD1-NE 3.3Å; N211-R214 PolarHBondContact OD1-NH2 2.94Å; I212-R214 VanDerWaalsContact C-N 3.28Å; I212-R214 PolarHBondContact O-N 3.29Å
215	L	97.6	Very high	97.7	Very high	16 Å²	16	53.4 Å²	53.4	8%	0.084	27%	0.272	C	S	.	.			trans	-71.3	144.3	-179.4	-64.5	-176.6	0	0	0	111.9	T165 L169 I212 E222 V226	T165-L215 HydrophobicContact CG2-CD2 3.92Å; L169-L215 HydrophobicContact CD2-CD1 4.2Å; I212-L215 HydrophobicContact CG2-CD1 4.3Å; L215-E222 VanDerWaalsContact CA-OE2 3.26Å; L215-E222 WeakPolarHBondContact CA-OE2 3.5Å; L215-E222 HydrophobicContact CB-CB 4.26Å; L215-E222 HydrophobicContact CD2-CB 4.45Å; L215-E222 HydrophobicContact CD2-CG 4.22Å; L215-E222 WeakPolarHBondContact CD2-OE2 3.42Å; L215-V226 HydrophobicContact CB-CG2 4.18Å; L215-V226 HydrophobicContact CD1-CG2 3.9Å
216	D	96.9	Very high	97.7	Very high	66 Å²	66	53.4 Å²	53.4	35%	0.353	27%	0.272	S	S	.	.			trans	-98	94.3	175.7	179.5	7.7	0	0	0	110.6	T218 K219 E222	D216-T218 PolarHBondContact O-N 3.44Å; D216-T218 WeakPolarHBondContact OD1-CB 3.37Å; D216-T218 WeakPolarHBondContact OD1-CG2 3.42Å; D216-T218 PolarHBondContact OD1-N 3.27Å; D216-T218 PolarHBondContact OD1-OG1 3.41Å; D216-T218 PolarHBondContact OD2-OG1 3.43Å; D216-T218 VanDerWaalsContact OD2-OG1 3.09Å; D216-K219 PolarHBondContact O-N 3.44Å; D216-E222 PolarHBondContact N-OE2 2.95Å
217	E	96.6	Very high	97.8	Very high	42 Å²	42	53.2 Å²	53.2	20%	0.196	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-4	179.2	-63.4	178.1	-98.6	0	0	114.5	A223 V226 R259 N269	E217-A223 HydrophobicContact CB-CB 4.32Å; E217-V226 HydrophobicContact CG-CG2 3.94Å; E217-R259 WeakPolarHBondContact OE1-CD 3.2Å; E217-R259 IonicContact OE1-CZ 3.04Å; E217-R259 IonicContact OE1-NE 3.31Å; E217-R259 PolarHBondContact OE1-NE 3.23Å; E217-R259 IonicContact OE1-NH2 3.44Å; E217-R259 IonicContact OE2-CZ 3.81Å; E217-R259 VanDerWaalsContact OE2-CZ 3.3Å; E217-R259 IonicContact OE2-NE 3.68Å; E217-R259 PolarHBondContact OE2-NE 3.27Å; E217-R259 IonicContact OE2-NH2 3.43Å; E217-R259 PolarHBondContact OE2-NH2 2.84Å; E217-N269 WeakPolarHBondContact OE2-CB 3.44Å; E217-N269 PolarHBondContact OE2-ND2 3.37Å
218	T	96.1	Very high	97.8	Very high	122 Å²	122	54.4 Å²	54.4	75%	0.748	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-19.9	169	71.3	0	0	0	0	112.3	D216	D216-T218 PolarHBondContact O-N 3.44Å; D216-T218 WeakPolarHBondContact OD1-CB 3.37Å; D216-T218 WeakPolarHBondContact OD1-CG2 3.42Å; D216-T218 PolarHBondContact OD1-N 3.27Å; D216-T218 PolarHBondContact OD1-OG1 3.41Å; D216-T218 PolarHBondContact OD2-OG1 3.43Å; D216-T218 VanDerWaalsContact OD2-OG1 3.09Å
219	K	97.6	Very high	97.8	Very high	105 Å²	105	54.4 Å²	54.4	46%	0.457	27%	0.273	S	S	.	.	S	Bend	trans	-91.4	133.6	171.8	-58	176	-163.2	164.6	0	109.6	D216 D221 E222 A223	D216-K219 PolarHBondContact O-N 3.44Å; K219-D221 PolarHBondContact O-N 3.26Å; K219-E222 HydrophobicContact CB-CB 4.31Å; K219-E222 HydrophobicContact CB-CG 4.43Å; K219-E222 HydrophobicContact CD-CG 4.4Å; K219-E222 VanDerWaalsContact CD-OE1 3.22Å; K219-E222 WeakPolarHBondContact CD-OE1 3.45Å; K219-E222 IonicContact NZ-OE1 3.61Å; K219-E222 PolarHBondContact NZ-OE1 3.43Å; K219-E222 PolarHBondContact O-N 2.8Å; K219-A223 WeakPolarHBondContact O-CB 3.44Å; K219-A223 PolarHBondContact O-N 3.46Å
220	K	97.6	Very high	97.8	Very high	177 Å²	177	54 Å²	54	77%	0.77	27%	0.271	S	S	*	.	H	α-helix	trans	-59	-46.1	-174.6	-173.7	-173.5	173	-165.3	0	112.7	A223 D224	K220-A223 PolarHBondContact O-N 2.65Å; K220-D224 WeakPolarHBondContact O-CB 3.39Å; K220-D224 PolarHBondContact O-N 3.31Å
221	D	97.5	Very high	97.8	Very high	111 Å²	111	48.7 Å²	48.7	59%	0.594	25%	0.247	S	C	*	.	H	α-helix	trans	-71.2	-36.9	-173.9	-52.6	-33.3	0	0	0	111.4	L169 K219 D224 G225	L169-D221 HydrophobicContact CD1-CB 4.35Å; K219-D221 PolarHBondContact O-N 3.26Å; D221-D224 PolarHBondContact O-N 3.45Å; D221-G225 PolarHBondContact O-N 2.87Å
222	E	98.3	Very high	97.8	Very high	10 Å²	10	48.6 Å²	48.6	5%	0.047	25%	0.246	C	C	.	.	H	α-helix	trans	-70.8	-37.2	174	-66.7	-168.4	-138	0	0	111.8	L169 L215 D216 K219 D224 G225 V226	L169-E222 HydrophobicContact CD1-CG 4.22Å; L215-E222 VanDerWaalsContact CA-OE2 3.26Å; L215-E222 WeakPolarHBondContact CA-OE2 3.5Å; L215-E222 HydrophobicContact CB-CB 4.26Å; L215-E222 HydrophobicContact CD2-CB 4.45Å; L215-E222 HydrophobicContact CD2-CG 4.22Å; L215-E222 WeakPolarHBondContact CD2-OE2 3.42Å; D216-E222 PolarHBondContact N-OE2 2.95Å; K219-E222 HydrophobicContact CB-CB 4.31Å; K219-E222 HydrophobicContact CB-CG 4.43Å; K219-E222 HydrophobicContact CD-CG 4.4Å; K219-E222 VanDerWaalsContact CD-OE1 3.22Å; K219-E222 WeakPolarHBondContact CD-OE1 3.45Å; K219-E222 IonicContact NZ-OE1 3.61Å; K219-E222 PolarHBondContact NZ-OE1 3.43Å; K219-E222 PolarHBondContact O-N 2.8Å; E222-D224 VanDerWaalsContact C-N 3.33Å; E222-D224 PolarHBondContact O-N 3.44Å; E222-G225 PolarHBondContact O-N 2.93Å; E222-V226 WeakPolarHBondContact O-CG2 3.46Å; E222-V226 PolarHBondContact O-N 2.68Å
223	A	98	Very high	97.8	Very high	21 Å²	21	48.4 Å²	48.4	17%	0.174	25%	0.246	C	C	.	.	H	α-helix	trans	-63.2	-38.4	172.5	0	0	0	0	0	112.3	E217 K219 K220 V226 H227 N269	E217-A223 HydrophobicContact CB-CB 4.32Å; K219-A223 WeakPolarHBondContact O-CB 3.44Å; K219-A223 PolarHBondContact O-N 3.46Å; K220-A223 PolarHBondContact O-N 2.65Å; A223-V226 PolarHBondContact O-N 3.29Å; A223-H227 PolarHBondContact O-N 2.88Å; A223-N269 PolarHBondContact O-ND2 2.9Å; A223-N269 PolarHBondContact O-OD1 3.01Å
224	D	98.4	Very high	97.8	Very high	74 Å²	74	47.2 Å²	47.2	40%	0.396	23%	0.233	S	C	.	.	H	α-helix	trans	-64.9	-40.7	173.1	-172.4	71.1	0	0	0	111.6	K220 D221 E222 V226 H227 K228	K220-D224 WeakPolarHBondContact O-CB 3.39Å; K220-D224 PolarHBondContact O-N 3.31Å; D221-D224 PolarHBondContact O-N 3.45Å; E222-D224 VanDerWaalsContact C-N 3.33Å; E222-D224 PolarHBondContact O-N 3.44Å; D224-V226 VanDerWaalsContact C-N 3.33Å; D224-V226 PolarHBondContact O-N 3.37Å; D224-H227 WeakPolarHBondContact O-CA 3.42Å; D224-H227 VanDerWaalsContact O-CB 3.31Å; D224-H227 WeakPolarHBondContact O-CB 3.25Å; D224-H227 PolarHBondContact O-N 3.39Å; D224-K228 PolarHBondContact O-N 2.85Å; D224-K228 WeakPolarHBondContact OD2-CE 3.42Å; D224-K228 IonicContact OD2-NZ 3.71Å; D224-K228 PolarHBondContact OD2-NZ 3Å
225	G	98.4	Very high	97.7	Very high	2 Å²	2	43.6 Å²	43.6	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-59.6	-39.5	172.2	0	0	0	0	0	113.8	D221 E222 T229	D221-G225 PolarHBondContact O-N 2.87Å; E222-G225 PolarHBondContact O-N 2.93Å; G225-T229 WeakPolarHBondContact O-CB 3.32Å; G225-T229 PolarHBondContact O-N 3.12Å; G225-T229 PolarHBondContact O-OG1 3.36Å
226	V	98.5	Very high	97.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-45.1	171.4	174.5	0	0	0	0	110.5	I212 L215 E217 E222 A223 D224 T229 L230 W255 N269	I212-V226 HydrophobicContact CB-CG2 4.12Å; I212-V226 HydrophobicContact CG2-CG2 4.17Å; L215-V226 HydrophobicContact CB-CG2 4.18Å; L215-V226 HydrophobicContact CD1-CG2 3.9Å; E217-V226 HydrophobicContact CG-CG2 3.94Å; E222-V226 WeakPolarHBondContact O-CG2 3.46Å; E222-V226 PolarHBondContact O-N 2.68Å; A223-V226 PolarHBondContact O-N 3.29Å; D224-V226 VanDerWaalsContact C-N 3.33Å; D224-V226 PolarHBondContact O-N 3.37Å; V226-T229 WeakPolarHBondContact O-CB 3.16Å; V226-T229 PolarHBondContact O-N 2.95Å; V226-L230 HydrophobicContact CG1-CD1 4.42Å; V226-L230 WeakPolarHBondContact O-CG 3.44Å; V226-L230 PolarHBondContact O-N 3.13Å; V226-L230 VanDerWaalsContact O-N 3.08Å; V226-W255 HydrophobicContact CG1-CH2 3.71Å; V226-W255 HydrophobicContact CG1-CZ2 4.14Å; V226-N269 HydrophobicContact CG1-CB 4.35Å
227	H	98.6	Very high	97.6	Very high	65 Å²	65	39.9 Å²	39.9	30%	0.301	20%	0.202	S	C	.	.	H	α-helix	trans	-59.2	-49.8	179.3	-160.9	79.3	0	0	0	112	A223 D224 T229 L230 G231 N269 Y272	A223-H227 PolarHBondContact O-N 2.88Å; D224-H227 WeakPolarHBondContact O-CA 3.42Å; D224-H227 VanDerWaalsContact O-CB 3.31Å; D224-H227 WeakPolarHBondContact O-CB 3.25Å; D224-H227 PolarHBondContact O-N 3.39Å; H227-T229 VanDerWaalsContact C-N 3.32Å; H227-T229 PolarHBondContact O-N 3.04Å; H227-L230 WeakPolarHBondContact O-CB 3.18Å; H227-L230 PolarHBondContact O-N 3.01Å; H227-L230 VanDerWaalsContact O-N 3.15Å; H227-G231 PolarHBondContact O-N 3.16Å; H227-G231 VanDerWaalsContact O-N 3.1Å; H227-N269 WeakPolarHBondContact CB-OD1 3.41Å; H227-N269 PolarHBondContact ND1-OD1 3.29Å; H227-Y272 AromaticContact CE1-CD2 3.44Å; H227-Y272 VanDerWaalsContact CE1-CD2 3.44Å; H227-Y272 WeakPolarHBondContact CE1-CD2 3.39Å; H227-Y272 AromaticContact ND1-CD2 3.62Å; H227-Y272 AromaticContact NE2-CD2 3.86Å; H227-Y272 AromaticContact NE2-CE2 3.96Å; H227-Y272 WeakPolarHBondContact O-CE2 3.35Å
228	K	98.5	Very high	97.4	Very high	48 Å²	48	40.2 Å²	40.2	21%	0.209	20%	0.204	C	C	.	.	H	α-helix	trans	-62.1	-37.4	176.2	-73	170.4	173.6	160.3	0	112.7	I172 D173 H176 D224 L230 G231 I232	I172-K228 HydrophobicContact CG2-CB 3.58Å; I172-K228 HydrophobicContact CG2-CD 4.44Å; D173-K228 WeakPolarHBondContact OD1-CD 3.45Å; D173-K228 VanDerWaalsContact OD1-CE 3.31Å; D173-K228 WeakPolarHBondContact OD1-CE 3.49Å; D173-K228 IonicContact OD1-NZ 2.89Å; D173-K228 PolarHBondContact OD1-NZ 3.29Å; H176-K228 HydrophobicContact CB-CB 4.4Å; H176-K228 PolarHBondContact CD2-O 3.37Å; D224-K228 PolarHBondContact O-N 2.85Å; D224-K228 WeakPolarHBondContact OD2-CE 3.42Å; D224-K228 IonicContact OD2-NZ 3.71Å; D224-K228 PolarHBondContact OD2-NZ 3Å; K228-L230 VanDerWaalsContact C-N 3.3Å; K228-L230 PolarHBondContact O-N 3.45Å; K228-G231 PolarHBondContact O-N 3.17Å; K228-I232 WeakPolarHBondContact O-CG1 3.19Å; K228-I232 PolarHBondContact O-N 2.96Å
229	T	98.6	Very high	97.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.5	-39.9	174.9	-60.8	0	0	0	0	111.8	I172 L208 I212 G225 V226 H227 G231 I232 I233	I172-T229 WeakPolarHBondContact CD1-OG1 3.38Å; L208-T229 HydrophobicContact CB-CG2 3.81Å; L208-T229 HydrophobicContact CD1-CG2 4.4Å; L208-T229 HydrophobicContact CD2-CG2 4.06Å; L208-T229 HydrophobicContact CG-CG2 4.3Å; I212-T229 HydrophobicContact CD1-CG2 4.13Å; I212-T229 HydrophobicContact CG2-CG2 3.56Å; I212-T229 WeakPolarHBondContact CG2-OG1 3.48Å; G225-T229 WeakPolarHBondContact O-CB 3.32Å; G225-T229 PolarHBondContact O-N 3.12Å; G225-T229 PolarHBondContact O-OG1 3.36Å; V226-T229 WeakPolarHBondContact O-CB 3.16Å; V226-T229 PolarHBondContact O-N 2.95Å; H227-T229 VanDerWaalsContact C-N 3.32Å; H227-T229 PolarHBondContact O-N 3.04Å; T229-G231 VanDerWaalsContact C-N 3.35Å; T229-I232 PolarHBondContact O-N 3.04Å; T229-I233 HydrophobicContact CG2-CD1 4.34Å; T229-I233 WeakPolarHBondContact O-CG1 3.38Å; T229-I233 PolarHBondContact O-N 3.41Å
230	L	98.5	Very high	97	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.6	-39.2	175.1	-63.1	171.9	0	0	0	111.3	V226 H227 K228 I233 E234 W255 L256 Y272 V273 L276	V226-L230 HydrophobicContact CG1-CD1 4.42Å; V226-L230 WeakPolarHBondContact O-CG 3.44Å; V226-L230 PolarHBondContact O-N 3.13Å; V226-L230 VanDerWaalsContact O-N 3.08Å; H227-L230 WeakPolarHBondContact O-CB 3.18Å; H227-L230 PolarHBondContact O-N 3.01Å; H227-L230 VanDerWaalsContact O-N 3.15Å; K228-L230 VanDerWaalsContact C-N 3.3Å; K228-L230 PolarHBondContact O-N 3.45Å; L230-I233 PolarHBondContact O-N 2.78Å; L230-I233 VanDerWaalsContact O-N 3.15Å; L230-E234 PolarHBondContact O-N 2.83Å; L230-W255 HydrophobicContact CD2-CZ3 3.93Å; L230-L256 HydrophobicContact CD2-CD2 4.11Å; L230-Y272 HydrophobicContact CB-CD2 3.58Å; L230-Y272 HydrophobicContact CB-CE2 3.83Å; L230-Y272 HydrophobicContact CB-CG 4Å; L230-Y272 HydrophobicContact CD1-CD2 4.1Å; L230-Y272 HydrophobicContact CD1-CG 4.12Å; L230-Y272 HydrophobicContact CG-CD2 4.49Å; L230-V273 HydrophobicContact CD1-CG2 3.92Å; L230-L276 HydrophobicContact CD2-CD2 3.8Å
231	G	97.8	Very high	96.7	Very high	3 Å²	3	26.6 Å²	26.6	3%	0.031	14%	0.144	C	C	.	.	H	α-helix	trans	-64.5	-35.8	174.7	0	0	0	0	0	114.6	H227 K228 T229 I233 S235 Y272	H227-G231 PolarHBondContact O-N 3.16Å; H227-G231 VanDerWaalsContact O-N 3.1Å; K228-G231 PolarHBondContact O-N 3.17Å; T229-G231 VanDerWaalsContact C-N 3.35Å; G231-I233 VanDerWaalsContact C-N 3.33Å; G231-I233 PolarHBondContact O-N 3.36Å; G231-S235 WeakPolarHBondContact O-CB 3.44Å; G231-S235 PolarHBondContact O-N 2.92Å; G231-S235 PolarHBondContact O-OG 3.31Å; G231-Y272 WeakPolarHBondContact CA-OH 3.07Å
232	I	98.3	Very high	96.4	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-59.4	-47.1	170	-68.8	163.1	0	0	0	110.1	I172 L175 H176 L179 L208 K228 T229 S235 L236	I172-I232 HydrophobicContact CG2-CD1 4.25Å; L175-I232 HydrophobicContact CB-CD1 3.71Å; H176-I232 HydrophobicContact CB-CD1 4.09Å; H176-I232 HydrophobicContact CB-CG1 3.98Å; L179-I232 HydrophobicContact CB-CG2 4.49Å; L179-I232 HydrophobicContact CD1-CG2 3.63Å; L208-I232 HydrophobicContact CD1-CB 4.48Å; L208-I232 HydrophobicContact CD1-CG2 3.81Å; L208-I232 HydrophobicContact CD2-CD1 4.39Å; K228-I232 WeakPolarHBondContact O-CG1 3.19Å; K228-I232 PolarHBondContact O-N 2.96Å; T229-I232 PolarHBondContact O-N 3.04Å; I232-S235 PolarHBondContact O-N 3.47Å; I232-L236 HydrophobicContact CG2-CD1 3.92Å; I232-L236 HydrophobicContact CG2-CG 4.45Å; I232-L236 VanDerWaalsContact O-CG 3.25Å; I232-L236 WeakPolarHBondContact O-CG 3.35Å; I232-L236 PolarHBondContact O-N 2.94Å
233	I	98.1	Very high	96.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-67.8	-40.9	-176.8	-65.9	175.9	0	0	0	111.2	I205 L208 I209 T229 L230 G231 L236 L237 M247 L252 L276	I205-I233 HydrophobicContact CD1-CG1 4.42Å; L208-I233 HydrophobicContact CD1-CG1 4.25Å; I209-I233 HydrophobicContact CD1-CD1 3.94Å; T229-I233 HydrophobicContact CG2-CD1 4.34Å; T229-I233 WeakPolarHBondContact O-CG1 3.38Å; T229-I233 PolarHBondContact O-N 3.41Å; L230-I233 PolarHBondContact O-N 2.78Å; L230-I233 VanDerWaalsContact O-N 3.15Å; G231-I233 VanDerWaalsContact C-N 3.33Å; G231-I233 PolarHBondContact O-N 3.36Å; I233-L236 PolarHBondContact O-N 3.36Å; I233-L237 HydrophobicContact CG2-CD1 4.28Å; I233-L237 WeakPolarHBondContact O-CG 3.33Å; I233-L237 PolarHBondContact O-N 3.29Å; I233-M247 HydrophobicContact CG2-CE 3.9Å; I233-L252 HydrophobicContact CD1-CD1 3.92Å; I233-L252 HydrophobicContact CG2-CD1 4.4Å; I233-L252 HydrophobicContact CG2-CD2 3.63Å; I233-L276 HydrophobicContact CB-CD2 4.3Å; I233-L276 HydrophobicContact CG2-CD1 4.26Å; I233-L276 HydrophobicContact CG2-CD2 3.88Å
234	E	96.7	Very high	96	Very high	34 Å²	34	26.7 Å²	26.7	16%	0.159	14%	0.141	C	C	.	.	H	α-helix	trans	-58.6	-51.7	173.4	-178.8	175.7	-142.7	0	0	111.2	L28 L230 L236 L237 E238 Y272 L276 I279	L28-E234 HydrophobicContact CD2-CG 4.36Å; L230-E234 PolarHBondContact O-N 2.83Å; E234-L236 PolarHBondContact O-N 3.47Å; E234-L237 WeakPolarHBondContact O-CB 3.48Å; E234-L237 PolarHBondContact O-N 3.22Å; E234-E238 PolarHBondContact O-N 2.69Å; E234-Y272 WeakPolarHBondContact OE2-CE1 3.23Å; E234-Y272 VanDerWaalsContact OE2-CZ 3.23Å; E234-Y272 PolarHBondContact OE2-OH 3.24Å; E234-L276 HydrophobicContact CB-CD1 4.26Å; E234-I279 HydrophobicContact CG-CD1 4.45Å
235	S	96	Very high	95.9	Very high	18 Å²	18	24.9 Å²	24.9	13%	0.126	13%	0.132	C	C	.	.	H	α-helix	trans	-56.9	-40.3	178.2	-60.5	0	0	0	0	111.7	L179 G231 I232 E238 I239	L179-S235 WeakPolarHBondContact O-CB 3.11Å; G231-S235 WeakPolarHBondContact O-CB 3.44Å; G231-S235 PolarHBondContact O-N 2.92Å; G231-S235 PolarHBondContact O-OG 3.31Å; I232-S235 PolarHBondContact O-N 3.47Å; S235-E238 PolarHBondContact O-N 3.11Å; S235-I239 VanDerWaalsContact O-CG1 3.28Å; S235-I239 WeakPolarHBondContact O-CG1 3.5Å; S235-I239 PolarHBondContact O-N 2.83Å; S235-I239 VanDerWaalsContact O-N 3.16Å
236	L	96.3	Very high	95.8	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-66.5	-37.5	175.8	-71.2	172.1	0	0	0	113.1	L179 L196 F200 L204 I205 I232 I233 E234 E238 I239 R240 M247	L179-L236 HydrophobicContact CD1-CD1 4.48Å; L179-L236 HydrophobicContact CD1-CD2 4.42Å; L179-L236 HydrophobicContact CD2-CD2 4.36Å; L196-L236 HydrophobicContact CD2-CD2 3.92Å; F200-L236 HydrophobicContact CE2-CD2 4.34Å; F200-L236 HydrophobicContact CZ-CB 4.49Å; F200-L236 HydrophobicContact CZ-CD1 4.45Å; F200-L236 HydrophobicContact CZ-CD2 4.21Å; L204-L236 HydrophobicContact CD2-CD1 3.69Å; I205-L236 HydrophobicContact CD1-CD1 3.77Å; I232-L236 HydrophobicContact CG2-CD1 3.92Å; I232-L236 HydrophobicContact CG2-CG 4.45Å; I232-L236 VanDerWaalsContact O-CG 3.25Å; I232-L236 WeakPolarHBondContact O-CG 3.35Å; I232-L236 PolarHBondContact O-N 2.94Å; I233-L236 PolarHBondContact O-N 3.36Å; E234-L236 PolarHBondContact O-N 3.47Å; L236-E238 VanDerWaalsContact C-N 3.34Å; L236-I239 PolarHBondContact O-N 2.82Å; L236-R240 PolarHBondContact O-N 3.44Å; L236-M247 HydrophobicContact CB-CE 3.59Å; L236-M247 HydrophobicContact CB-SD 4.43Å; L236-M247 HydrophobicContact CD1-CE 4.35Å
237	L	95	Very high	95.7	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.016	15%	0.15	C	C	.	.	H	α-helix	trans	-67	-35.8	175.7	-73.9	168.6	0	0	0	112	I233 E234 S241 N244 M247 L276 I279 L280	I233-L237 HydrophobicContact CG2-CD1 4.28Å; I233-L237 WeakPolarHBondContact O-CG 3.33Å; I233-L237 PolarHBondContact O-N 3.29Å; E234-L237 WeakPolarHBondContact O-CB 3.48Å; E234-L237 PolarHBondContact O-N 3.22Å; L237-S241 WeakPolarHBondContact O-CA 3.42Å; L237-S241 PolarHBondContact O-N 3.49Å; L237-N244 HydrophobicContact CD2-CB 4.06Å; L237-M247 HydrophobicContact CD2-CE 4.02Å; L237-M247 HydrophobicContact CD2-SD 3.68Å; L237-M247 HydrophobicContact CG-CE 3.86Å; L237-M247 HydrophobicContact CG-SD 4.13Å; L237-L276 HydrophobicContact CD1-CD1 3.51Å; L237-I279 HydrophobicContact CD1-CG2 4.25Å; L237-L280 HydrophobicContact CD1-CD2 3.67Å; L237-L280 HydrophobicContact CD1-CG 4.43Å; L237-L280 HydrophobicContact CD2-CD2 3.91Å; L237-L280 HydrophobicContact CG-CD2 4.46Å
238	E	93.4	Very high	95.6	Very high	50 Å²	50	24.8 Å²	24.8	23%	0.234	14%	0.136	C	C	.	.	H	α-helix	trans	-66	-38.9	175.2	-69.9	-174.4	-160.4	0	0	112.2	L28 F181 E234 S235 L236	L28-E238 HydrophobicContact CD1-CG 4.3Å; L28-E238 HydrophobicContact CD2-CG 3.88Å; L28-E238 VanDerWaalsContact CD2-OE1 3.25Å; L28-E238 WeakPolarHBondContact CD2-OE1 3.17Å; L28-E238 HydrophobicContact CG-CG 4.46Å; F181-E238 WeakPolarHBondContact CD1-OE2 3.14Å; F181-E238 HydrophobicContact CD2-CB 3.59Å; F181-E238 WeakPolarHBondContact CD2-OE2 3.5Å; F181-E238 WeakPolarHBondContact CE1-OE2 3.43Å; F181-E238 HydrophobicContact CE2-CB 3.65Å; F181-E238 HydrophobicContact CG-CB 4.3Å; F181-E238 WeakPolarHBondContact CG-OE2 3.49Å; F181-E238 HydrophobicContact CZ-CB 4.39Å; E234-E238 PolarHBondContact O-N 2.69Å; S235-E238 PolarHBondContact O-N 3.11Å; L236-E238 VanDerWaalsContact C-N 3.34Å
239	I	92.4	Very high	95.5	Very high	18 Å²	18	26.8 Å²	26.8	9%	0.092	15%	0.149	C	C	.	.	H	α-helix	trans	-80.2	-41.2	-179	-59.9	169.3	0	0	0	112.1	F181 L184 L189 L196 S235 L236	F181-I239 HydrophobicContact CD2-CD1 4.26Å; F181-I239 HydrophobicContact CD2-CG1 3.6Å; F181-I239 HydrophobicContact CE2-CG1 4Å; L184-I239 HydrophobicContact CB-CD1 3.81Å; L184-I239 HydrophobicContact CD1-CD1 3.3Å; L184-I239 HydrophobicContact CG-CD1 4.15Å; L189-I239 HydrophobicContact CD1-CG2 4.42Å; L189-I239 HydrophobicContact CD2-CG1 4.47Å; L189-I239 HydrophobicContact CD2-CG2 3.65Å; L196-I239 HydrophobicContact CD1-CG2 3.79Å; S235-I239 VanDerWaalsContact O-CG1 3.28Å; S235-I239 WeakPolarHBondContact O-CG1 3.5Å; S235-I239 PolarHBondContact O-N 2.83Å; S235-I239 VanDerWaalsContact O-N 3.16Å; L236-I239 PolarHBondContact O-N 2.82Å
240	R	91.5	Very high	95.4	Very high	26 Å²	26	29.2 Å²	29.2	10%	0.098	16%	0.161	C	C	.	.			trans	-123.7	64.3	-173.8	-63.3	-66.7	-75.5	-90.8	-10.6	110.4	N193 L196 E197 F200 L236 D242 M243	N193-R240 PolarHBondContact OD1-NH1 3.42Å; L196-R240 HydrophobicContact CD1-CG 4.36Å; E197-R240 IonicContact OE1-CZ 2.7Å; E197-R240 IonicContact OE1-NH1 3.91Å; E197-R240 PolarHBondContact OE1-NH1 3.06Å; E197-R240 IonicContact OE1-NH2 3.71Å; E197-R240 PolarHBondContact OE1-NH2 3.35Å; F200-R240 HydrophobicContact CE2-CG 4.29Å; L236-R240 PolarHBondContact O-N 3.44Å; R240-D242 VanDerWaalsContact C-OD1 3.23Å; R240-D242 VanDerWaalsContact CA-OD1 3.29Å; R240-D242 WeakPolarHBondContact CA-OD1 3.15Å; R240-D242 IonicContact NE-OD1 2.68Å; R240-D242 IonicContact NE-OD2 3.91Å; R240-D242 PolarHBondContact O-N 3.12Å; R240-D242 VanDerWaalsContact O-N 3.13Å; R240-M243 HydrophobicContact CB-CB 4.13Å; R240-M243 HydrophobicContact CB-CG 3.94Å; R240-M243 WeakPolarHBondContact O-CB 3.09Å; R240-M243 PolarHBondContact O-N 3.12Å
241	S	91.9	Very high	95.2	Very high	73 Å²	73	30.7 Å²	30.7	51%	0.51	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-58.2	-26.5	178.2	60	0	0	0	0	113.4	L237 M243 N244	L237-S241 WeakPolarHBondContact O-CA 3.42Å; L237-S241 PolarHBondContact O-N 3.49Å; S241-M243 PolarHBondContact O-N 3.17Å; S241-N244 VanDerWaalsContact O-CB 3.28Å; S241-N244 WeakPolarHBondContact O-CB 3.44Å; S241-N244 PolarHBondContact O-N 3.45Å
242	D	92.2	Very high	95.2	Very high	109 Å²	109	30.5 Å²	30.5	58%	0.583	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-62.7	-26.1	173.2	61.5	-54.6	0	0	0	113.1	R240	R240-D242 VanDerWaalsContact C-OD1 3.23Å; R240-D242 VanDerWaalsContact CA-OD1 3.29Å; R240-D242 WeakPolarHBondContact CA-OD1 3.15Å; R240-D242 IonicContact NE-OD1 2.68Å; R240-D242 IonicContact NE-OD2 3.91Å; R240-D242 PolarHBondContact O-N 3.12Å; R240-D242 VanDerWaalsContact O-N 3.13Å
243	M	93.2	Very high	95.1	Very high	34 Å²	34	30.6 Å²	30.6	17%	0.167	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-87.3	-2.4	-179.4	-66.6	-67	-71.2	0	0	113.4	F200 R240 S241 V245 T246 M247	F200-M243 HydrophobicContact CD1-CE 3.95Å; F200-M243 HydrophobicContact CE1-CE 4.2Å; F200-M243 HydrophobicContact CG-CE 4.25Å; R240-M243 HydrophobicContact CB-CB 4.13Å; R240-M243 HydrophobicContact CB-CG 3.94Å; R240-M243 WeakPolarHBondContact O-CB 3.09Å; R240-M243 PolarHBondContact O-N 3.12Å; S241-M243 PolarHBondContact O-N 3.17Å; M243-V245 PolarHBondContact O-N 2.9Å; M243-T246 HydrophobicContact CE-CG2 3.78Å; M243-T246 CarbonylContact O-C 3.43Å; M243-T246 WeakPolarHBondContact O-CA 3.26Å; M243-T246 WeakPolarHBondContact O-CB 3.44Å; M243-T246 PolarHBondContact O-N 2.82Å; M243-M247 HydrophobicContact CB-CG 4.1Å; M243-M247 HydrophobicContact CB-SD 4.01Å; M243-M247 WeakPolarHBondContact O-CG 3.41Å; M243-M247 PolarHBondContact O-N 3.15Å
244	N	94.7	Very high	95	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-46.1	-55.8	-175.2	173.2	28.8	0	0	0	113.7	L237 S241 T246 M247 A248 L280 M283 D284 N287	L237-N244 HydrophobicContact CD2-CB 4.06Å; S241-N244 VanDerWaalsContact O-CB 3.28Å; S241-N244 WeakPolarHBondContact O-CB 3.44Å; S241-N244 PolarHBondContact O-N 3.45Å; N244-T246 VanDerWaalsContact C-N 3.33Å; N244-T246 PolarHBondContact O-N 2.93Å; N244-M247 PolarHBondContact O-N 3.41Å; N244-A248 WeakPolarHBondContact O-CB 3.21Å; N244-A248 PolarHBondContact O-N 2.9Å; N244-L280 PolarHBondContact ND2-O 3.45Å; N244-L280 WeakPolarHBondContact OD1-CD2 3.46Å; N244-M283 HydrophobicContact CB-CE 4.23Å; N244-M283 WeakPolarHBondContact ND2-CB 3.4Å; N244-D284 VanDerWaalsContact ND2-CB 3.34Å; N244-D284 WeakPolarHBondContact ND2-CB 3.44Å; N244-N287 PolarHBondContact ND2-ND2 3.27Å; N244-N287 PolarHBondContact OD1-ND2 2.92Å
245	V	96.3	Very high	95	Very high	36 Å²	36	32 Å²	32	22%	0.218	19%	0.19	C	C	.	.	H	α-helix	trans	-65.3	-37.3	-179.6	180	0	0	0	0	111.6	M243 N249 D284 A286	M243-V245 PolarHBondContact O-N 2.9Å; V245-N249 WeakPolarHBondContact CG1-ND2 3.34Å; V245-N249 WeakPolarHBondContact O-CB 3.46Å; V245-N249 PolarHBondContact O-N 2.78Å; V245-N249 VanDerWaalsContact O-N 3.11Å; V245-N249 PolarHBondContact O-ND2 2.84Å; V245-D284 HydrophobicContact CG2-CB 3.75Å; V245-D284 VanDerWaalsContact CG2-OD2 3.24Å; V245-D284 WeakPolarHBondContact CG2-OD2 3.34Å; V245-A286 HydrophobicContact CG1-CB 4Å; V245-A286 HydrophobicContact CG2-CB 3.85Å
246	T	95.7	Very high	95.2	Very high	64 Å²	64	31.1 Å²	31.1	39%	0.393	18%	0.184	S	C	.	.	H	α-helix	trans	-64.5	-47.5	177.3	-58.4	0	0	0	0	110.9	M243 N244 N249 Q250	M243-T246 HydrophobicContact CE-CG2 3.78Å; M243-T246 CarbonylContact O-C 3.43Å; M243-T246 WeakPolarHBondContact O-CA 3.26Å; M243-T246 WeakPolarHBondContact O-CB 3.44Å; M243-T246 PolarHBondContact O-N 2.82Å; N244-T246 VanDerWaalsContact C-N 3.33Å; N244-T246 PolarHBondContact O-N 2.93Å; T246-N249 PolarHBondContact O-N 2.85Å; T246-Q250 WeakPolarHBondContact O-CG 3.47Å; T246-Q250 PolarHBondContact O-N 2.79Å
247	M	96.7	Very high	95.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.3	-45.5	178.8	-63.9	172.4	65.9	0	0	111.1	F200 I205 I233 L236 L237 M243 N244 N249 Q250 L252	F200-M247 HydrophobicContact CE1-CG 4.09Å; F200-M247 HydrophobicContact CE1-SD 4.25Å; F200-M247 HydrophobicContact CZ-SD 4.25Å; I205-M247 HydrophobicContact CD1-CE 3.61Å; I205-M247 HydrophobicContact CD1-CG 4.31Å; I205-M247 HydrophobicContact CG1-CB 4.36Å; I205-M247 HydrophobicContact CG1-CE 4.34Å; I205-M247 HydrophobicContact CG1-CG 3.99Å; I233-M247 HydrophobicContact CG2-CE 3.9Å; L236-M247 HydrophobicContact CB-CE 3.59Å; L236-M247 HydrophobicContact CB-SD 4.43Å; L236-M247 HydrophobicContact CD1-CE 4.35Å; L237-M247 HydrophobicContact CD2-CE 4.02Å; L237-M247 HydrophobicContact CD2-SD 3.68Å; L237-M247 HydrophobicContact CG-CE 3.86Å; L237-M247 HydrophobicContact CG-SD 4.13Å; M243-M247 HydrophobicContact CB-CG 4.1Å; M243-M247 HydrophobicContact CB-SD 4.01Å; M243-M247 WeakPolarHBondContact O-CG 3.41Å; M243-M247 PolarHBondContact O-N 3.15Å; N244-M247 PolarHBondContact O-N 3.41Å; M247-N249 PolarHBondContact O-N 2.74Å; M247-Q250 PolarHBondContact O-N 3.32Å; M247-Q250 VanDerWaalsContact O-N 3.14Å; M247-L252 WeakPolarHBondContact O-CB 3.25Å
248	A	96.4	Very high	95.4	Very high	1 Å²	1	38 Å²	38	1%	0.008	21%	0.21	C	C	.	.	I	π-helix	trans	-54.4	-42.6	175.4	0	0	0	0	0	111.9	N244 Q250 F253 L280 N287	N244-A248 WeakPolarHBondContact O-CB 3.21Å; N244-A248 PolarHBondContact O-N 2.9Å; A248-Q250 VanDerWaalsContact C-N 3.33Å; A248-Q250 PolarHBondContact O-N 2.9Å; A248-F253 HydrophobicContact CB-CB 4.21Å; A248-F253 HydrophobicContact CB-CD2 4.34Å; A248-F253 WeakPolarHBondContact O-CB 3.17Å; A248-F253 PolarHBondContact O-N 3.29Å; A248-L280 HydrophobicContact CB-CD2 4.42Å; A248-N287 WeakPolarHBondContact CB-OD1 3.37Å
249	N	95.6	Very high	95.6	Very high	90 Å²	90	36.1 Å²	36.1	48%	0.481	20%	0.2	S	C	.	.	I	π-helix	trans	-77.6	-9.2	-178.1	-76.6	-46.8	0	0	0	115.3	V245 T246 M247 G251 Q290	V245-N249 WeakPolarHBondContact CG1-ND2 3.34Å; V245-N249 WeakPolarHBondContact O-CB 3.46Å; V245-N249 PolarHBondContact O-N 2.78Å; V245-N249 VanDerWaalsContact O-N 3.11Å; V245-N249 PolarHBondContact O-ND2 2.84Å; T246-N249 PolarHBondContact O-N 2.85Å; M247-N249 PolarHBondContact O-N 2.74Å; N249-G251 PolarHBondContact O-N 3.3Å; N249-G251 VanDerWaalsContact O-N 3.11Å; N249-Q290 PolarHBondContact OD1-NE2 3.33Å; N249-Q290 PolarHBondContact OD1-OE1 3.32Å; N249-Q290 VanDerWaalsContact OD1-OE1 3.07Å
250	Q	95.9	Very high	95.8	Very high	51 Å²	51	35.2 Å²	35.2	24%	0.238	20%	0.196	C	C	.	.	I	π-helix	trans	-84	31.9	174.9	-70.9	-175.3	24.2	0	0	113.2	I205 Q206 T246 M247 A248 L252	I205-Q250 HydrophobicContact CB-CB 4.13Å; I205-Q250 HydrophobicContact CG2-CB 3.99Å; Q206-Q250 HydrophobicContact CB-CB 4.46Å; T246-Q250 WeakPolarHBondContact O-CG 3.47Å; T246-Q250 PolarHBondContact O-N 2.79Å; M247-Q250 PolarHBondContact O-N 3.32Å; M247-Q250 VanDerWaalsContact O-N 3.14Å; A248-Q250 VanDerWaalsContact C-N 3.33Å; A248-Q250 PolarHBondContact O-N 2.9Å; Q250-L252 VanDerWaalsContact C-N 3.32Å; Q250-L252 PolarHBondContact O-N 2.82Å
251	G	95.1	Very high	96	Very high	31 Å²	31	38.4 Å²	38.4	32%	0.32	21%	0.212	S	C	.	.	I	π-helix	trans	88.5	-13.6	179.1	0	0	0	0	0	114.8	N249 F253 A254 W255	N249-G251 PolarHBondContact O-N 3.3Å; N249-G251 VanDerWaalsContact O-N 3.11Å; G251-F253 PolarHBondContact O-N 3.27Å; G251-A254 PolarHBondContact O-N 2.62Å; G251-W255 WeakPolarHBondContact O-CB 3.4Å; G251-W255 PolarHBondContact O-N 3.32Å
252	L	97.6	Very high	96.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.209	C	C	.	.	I	π-helix	trans	-54.2	-53.7	177.7	169.4	61.1	0	0	0	111	I205 I209 I233 M247 Q250 A254 W255 L256 L276 L280	I205-L252 HydrophobicContact CG2-CB 4.38Å; I209-L252 HydrophobicContact CD1-CB 3.99Å; I209-L252 HydrophobicContact CD1-CD1 3.75Å; I209-L252 HydrophobicContact CD1-CG 4.48Å; I209-L252 HydrophobicContact CG1-CB 4.11Å; I233-L252 HydrophobicContact CD1-CD1 3.92Å; I233-L252 HydrophobicContact CG2-CD1 4.4Å; I233-L252 HydrophobicContact CG2-CD2 3.63Å; M247-L252 WeakPolarHBondContact O-CB 3.25Å; Q250-L252 VanDerWaalsContact C-N 3.32Å; Q250-L252 PolarHBondContact O-N 2.82Å; L252-A254 VanDerWaalsContact C-N 3.35Å; L252-A254 PolarHBondContact O-N 3.36Å; L252-W255 PolarHBondContact O-N 2.91Å; L252-L256 HydrophobicContact CD1-CD1 3.81Å; L252-L256 HydrophobicContact CD1-CD2 4.01Å; L252-L256 HydrophobicContact CD1-CG 3.75Å; L252-L256 HydrophobicContact CG-CD1 4.03Å; L252-L256 HydrophobicContact CG-CG 4.33Å; L252-L256 WeakPolarHBondContact O-CG 3.37Å; L252-L256 PolarHBondContact O-N 3.37Å; L252-L276 HydrophobicContact CD1-CD2 4.03Å; L252-L280 HydrophobicContact CD2-CD1 4.03Å; L252-L280 HydrophobicContact CD2-CD2 4.33Å; L252-L280 HydrophobicContact CG-CD1 4.28Å
253	F	95.8	Very high	96.3	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.009	22%	0.216	C	C	.	.	H	α-helix	trans	-59.6	-45.7	-174.8	-164.4	-94.5	0	0	0	112.3	A248 G251 W255 L256 L257 L277 L280 L281 N287 Q290 L291 V294	A248-F253 HydrophobicContact CB-CB 4.21Å; A248-F253 HydrophobicContact CB-CD2 4.34Å; A248-F253 WeakPolarHBondContact O-CB 3.17Å; A248-F253 PolarHBondContact O-N 3.29Å; G251-F253 PolarHBondContact O-N 3.27Å; F253-W255 VanDerWaalsContact C-N 3.32Å; F253-W255 PolarHBondContact O-N 3.12Å; F253-L256 PolarHBondContact O-N 3.48Å; F253-L257 HydrophobicContact CD1-CD1 3.98Å; F253-L257 HydrophobicContact CE1-CD1 3.63Å; F253-L257 HydrophobicContact CE1-CG 4.39Å; F253-L257 HydrophobicContact CZ-CD1 4.41Å; F253-L257 PolarHBondContact O-N 2.92Å; F253-L277 HydrophobicContact CD2-CD1 4.28Å; F253-L277 HydrophobicContact CE2-CD1 3.76Å; F253-L277 HydrophobicContact CZ-CD1 4.25Å; F253-L280 HydrophobicContact CD2-CD1 4.25Å; F253-L281 HydrophobicContact CE2-CD2 4.21Å; F253-L281 HydrophobicContact CZ-CD2 4.34Å; F253-N287 HydrophobicContact CE2-CB 4.44Å; F253-Q290 HydrophobicContact CD1-CG 4.11Å; F253-Q290 HydrophobicContact CE1-CG 4.04Å; F253-L291 HydrophobicContact CE1-CB 4.36Å; F253-L291 HydrophobicContact CE1-CD1 4.09Å; F253-L291 HydrophobicContact CZ-CB 3.77Å; F253-L291 HydrophobicContact CZ-CD1 3.58Å; F253-L291 HydrophobicContact CZ-CG 4.28Å; F253-V294 HydrophobicContact CE1-CG2 3.97Å
254	A	96	Very high	96.4	Very high	53 Å²	53	45.5 Å²	45.5	44%	0.438	23%	0.23	S	C	.	.	H	α-helix	trans	-64.8	-36.4	176.9	0	0	0	0	0	112.3	G251 L252 R258	G251-A254 PolarHBondContact O-N 2.62Å; L252-A254 VanDerWaalsContact C-N 3.35Å; L252-A254 PolarHBondContact O-N 3.36Å; A254-R258 WeakPolarHBondContact O-CB 3.48Å; A254-R258 PolarHBondContact O-N 3.08Å; A254-R258 VanDerWaalsContact O-N 3.17Å
255	W	97.9	Very high	96.2	Very high	11 Å²	11	48.3 Å²	48.3	4%	0.042	24%	0.244	C	C	.	.	H	α-helix	trans	-68.3	-45.2	177	-174.6	95.1	0	0	0	111.8	I209 I212 V226 L230 G251 L252 F253 L257 R258 R259 V273	I209-W255 HydrophobicContact CG2-CB 3.95Å; I209-W255 HydrophobicContact CG2-CG 4.27Å; I212-W255 HydrophobicContact CB-CZ2 4.19Å; I212-W255 HydrophobicContact CD1-CD2 3.75Å; I212-W255 HydrophobicContact CD1-CE3 3.88Å; I212-W255 HydrophobicContact CD1-CG 4.46Å; I212-W255 HydrophobicContact CD1-CH2 3.75Å; I212-W255 HydrophobicContact CD1-CZ2 3.59Å; I212-W255 HydrophobicContact CD1-CZ3 3.89Å; I212-W255 HydrophobicContact CG1-CD2 4.25Å; I212-W255 HydrophobicContact CG1-CH2 4.49Å; I212-W255 HydrophobicContact CG1-CZ2 3.85Å; V226-W255 HydrophobicContact CG1-CH2 3.71Å; V226-W255 HydrophobicContact CG1-CZ2 4.14Å; L230-W255 HydrophobicContact CD2-CZ3 3.93Å; G251-W255 WeakPolarHBondContact O-CB 3.4Å; G251-W255 PolarHBondContact O-N 3.32Å; L252-W255 PolarHBondContact O-N 2.91Å; F253-W255 VanDerWaalsContact C-N 3.32Å; F253-W255 PolarHBondContact O-N 3.12Å; W255-L257 PolarHBondContact O-N 3.41Å; W255-R258 PolarHBondContact O-N 3.19Å; W255-R259 HydrophobicContact CD2-CB 4.48Å; W255-R259 HydrophobicContact CE3-CB 4.29Å; W255-R259 HydrophobicContact CH2-CB 4.14Å; W255-R259 HydrophobicContact CH2-CG 3.92Å; W255-R259 HydrophobicContact CZ2-CB 4.35Å; W255-R259 HydrophobicContact CZ2-CG 4.3Å; W255-R259 HydrophobicContact CZ3-CB 4.11Å; W255-R259 HydrophobicContact CZ3-CG 4.23Å; W255-R259 WeakPolarHBondContact O-CB 3.36Å; W255-R259 PolarHBondContact O-N 3.47Å; W255-V273 HydrophobicContact CH2-CG2 4.29Å; W255-V273 HydrophobicContact CZ3-CG2 3.75Å
256	L	98.5	Very high	96.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-56.6	-50.3	177.9	-66.8	176.8	0	0	0	111.5	L230 L252 F253 R258 R259 L260 V273 L276 L277 L280	L230-L256 HydrophobicContact CD2-CD2 4.11Å; L252-L256 HydrophobicContact CD1-CD1 3.81Å; L252-L256 HydrophobicContact CD1-CD2 4.01Å; L252-L256 HydrophobicContact CD1-CG 3.75Å; L252-L256 HydrophobicContact CG-CD1 4.03Å; L252-L256 HydrophobicContact CG-CG 4.33Å; L252-L256 WeakPolarHBondContact O-CG 3.37Å; L252-L256 PolarHBondContact O-N 3.37Å; F253-L256 PolarHBondContact O-N 3.48Å; L256-R258 VanDerWaalsContact C-N 3.33Å; L256-R258 PolarHBondContact O-N 3.04Å; L256-R259 PolarHBondContact O-N 2.99Å; L256-L260 WeakPolarHBondContact O-CB 3.23Å; L256-L260 PolarHBondContact O-N 3.14Å; L256-V273 HydrophobicContact CB-CG1 4.09Å; L256-V273 HydrophobicContact CD2-CB 4.15Å; L256-V273 HydrophobicContact CD2-CG1 3.87Å; L256-V273 HydrophobicContact CD2-CG2 3.87Å; L256-V273 WeakPolarHBondContact O-CG1 3.5Å; L256-L276 HydrophobicContact CD1-CD2 4.33Å; L256-L276 HydrophobicContact CD1-CG 4.32Å; L256-L276 HydrophobicContact CD2-CD2 4.15Å; L256-L277 HydrophobicContact CD1-CB 4.39Å; L256-L280 HydrophobicContact CD1-CD1 3.55Å
257	L	98.1	Very high	96.2	Very high	7 Å²	7	47.3 Å²	47.3	4%	0.037	23%	0.233	C	C	.	.	H	α-helix	trans	-63.3	-37.4	178.8	-68.5	179.3	0	0	0	112.9	F253 W255 Q261 L277 L291 V294 I299	F253-L257 HydrophobicContact CD1-CD1 3.98Å; F253-L257 HydrophobicContact CE1-CD1 3.63Å; F253-L257 HydrophobicContact CE1-CG 4.39Å; F253-L257 HydrophobicContact CZ-CD1 4.41Å; F253-L257 PolarHBondContact O-N 2.92Å; W255-L257 PolarHBondContact O-N 3.41Å; L257-Q261 WeakPolarHBondContact O-CG 3.33Å; L257-Q261 PolarHBondContact O-N 3.07Å; L257-Q261 PolarHBondContact O-NE2 3.36Å; L257-L277 HydrophobicContact CD2-CD1 4.44Å; L257-L277 HydrophobicContact CD2-CD2 3.88Å; L257-L291 HydrophobicContact CD1-CD1 4.14Å; L257-L291 HydrophobicContact CD2-CD1 3.74Å; L257-L291 HydrophobicContact CG-CD1 4.48Å; L257-V294 HydrophobicContact CD1-CG2 3.47Å; L257-V294 VanDerWaalsContact CD1-CG2 3.47Å; L257-I299 HydrophobicContact CB-CD1 4.15Å
258	R	97.5	Very high	96.2	Very high	141 Å²	141	53.7 Å²	53.7	53%	0.532	26%	0.261	S	S	.	.	H	α-helix	trans	-67.7	-43.4	175.6	-170.5	-174	-59.1	139.3	3.6	111	A254 W255 L256 L260 Q261	A254-R258 WeakPolarHBondContact O-CB 3.48Å; A254-R258 PolarHBondContact O-N 3.08Å; A254-R258 VanDerWaalsContact O-N 3.17Å; W255-R258 PolarHBondContact O-N 3.19Å; L256-R258 VanDerWaalsContact C-N 3.33Å; L256-R258 PolarHBondContact O-N 3.04Å; R258-L260 VanDerWaalsContact C-N 3.31Å; R258-L260 PolarHBondContact O-N 3.4Å; R258-Q261 PolarHBondContact O-N 3.38Å
259	R	97.6	Very high	96.3	Very high	10 Å²	10	54.1 Å²	54.1	4%	0.038	26%	0.263	C	S	.	.	H	α-helix	trans	-65.8	-37.3	180	-179.4	53.5	-179.2	89.6	-3.2	111.7	E217 W255 L256 Q261 K262 D267 V273	E217-R259 WeakPolarHBondContact OE1-CD 3.2Å; E217-R259 IonicContact OE1-CZ 3.04Å; E217-R259 IonicContact OE1-NE 3.31Å; E217-R259 PolarHBondContact OE1-NE 3.23Å; E217-R259 IonicContact OE1-NH2 3.44Å; E217-R259 IonicContact OE2-CZ 3.81Å; E217-R259 VanDerWaalsContact OE2-CZ 3.3Å; E217-R259 IonicContact OE2-NE 3.68Å; E217-R259 PolarHBondContact OE2-NE 3.27Å; E217-R259 IonicContact OE2-NH2 3.43Å; E217-R259 PolarHBondContact OE2-NH2 2.84Å; W255-R259 HydrophobicContact CD2-CB 4.48Å; W255-R259 HydrophobicContact CE3-CB 4.29Å; W255-R259 HydrophobicContact CH2-CB 4.14Å; W255-R259 HydrophobicContact CH2-CG 3.92Å; W255-R259 HydrophobicContact CZ2-CB 4.35Å; W255-R259 HydrophobicContact CZ2-CG 4.3Å; W255-R259 HydrophobicContact CZ3-CB 4.11Å; W255-R259 HydrophobicContact CZ3-CG 4.23Å; W255-R259 WeakPolarHBondContact O-CB 3.36Å; W255-R259 PolarHBondContact O-N 3.47Å; L256-R259 PolarHBondContact O-N 2.99Å; R259-Q261 PolarHBondContact O-N 2.99Å; R259-K262 PolarHBondContact O-N 2.91Å; R259-K262 VanDerWaalsContact O-N 3.13Å; R259-D267 IonicContact CZ-OD1 3.81Å; R259-D267 IonicContact CZ-OD2 3.56Å; R259-D267 IonicContact NH1-OD2 2.61Å; R259-D267 PolarHBondContact NH1-OD2 3.4Å; R259-D267 VanDerWaalsContact NH1-OD2 3.16Å; R259-D267 IonicContact NH2-OD1 2.65Å; R259-D267 PolarHBondContact NH2-OD1 3.43Å; R259-D267 IonicContact NH2-OD2 3.43Å; R259-D267 PolarHBondContact NH2-OD2 3.49Å; R259-V273 HydrophobicContact CB-CG2 4.37Å; R259-V273 HydrophobicContact CG-CG2 3.92Å
260	L	97.4	Very high	96.4	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.3	-30	177	-174.6	66.8	0	0	0	112.5	L256 R258 K270 V273 L277 I299 L300 Q303 L324	L256-L260 WeakPolarHBondContact O-CB 3.23Å; L256-L260 PolarHBondContact O-N 3.14Å; R258-L260 VanDerWaalsContact C-N 3.31Å; R258-L260 PolarHBondContact O-N 3.4Å; L260-K270 HydrophobicContact CD1-CG 4.06Å; L260-K270 WeakPolarHBondContact O-CE 3.26Å; L260-K270 PolarHBondContact O-NZ 3.46Å; L260-V273 HydrophobicContact CB-CG1 4.31Å; L260-L277 HydrophobicContact CD2-CD2 4.41Å; L260-I299 HydrophobicContact CD2-CG2 4.2Å; L260-L300 HydrophobicContact CD2-CD2 4.11Å; L260-Q303 HydrophobicContact CD1-CG 4.26Å; L260-Q303 HydrophobicContact CD2-CG 3.98Å; L260-Q303 HydrophobicContact CG-CG 3.76Å; L260-Q303 VanDerWaalsContact O-CD 3.26Å; L260-Q303 PolarHBondContact O-OE1 3.18Å; L260-L324 HydrophobicContact CD1-CD2 3.79Å; L260-L324 HydrophobicContact CD2-CD2 3.64Å; L260-L324 HydrophobicContact CG-CD2 4.31Å
261	Q	96.9	Very high	96.5	Very high	92 Å²	92	48.3 Å²	48.3	43%	0.43	23%	0.233	S	C	.	.	H	α-helix	trans	-79.5	-17.2	177.8	-68.9	170.7	83.7	0	0	114.2	L257 R258 R259 I299	L257-Q261 WeakPolarHBondContact O-CG 3.33Å; L257-Q261 PolarHBondContact O-N 3.07Å; L257-Q261 PolarHBondContact O-NE2 3.36Å; R258-Q261 PolarHBondContact O-N 3.38Å; R259-Q261 PolarHBondContact O-N 2.99Å; Q261-I299 HydrophobicContact CG-CG1 4.35Å; Q261-I299 HydrophobicContact CG-CG2 3.7Å
262	K	96	Very high	96.6	Very high	105 Å²	105	48.3 Å²	48.3	46%	0.457	22%	0.224	S	C	.	.	S	Bend	trans	-70.4	152.4	-179.1	-66.8	-172.3	-178.9	177.7	0	111.3	R259 P264 K270	R259-K262 PolarHBondContact O-N 2.91Å; R259-K262 VanDerWaalsContact O-N 3.13Å; K262-P264 VanDerWaalsContact O-O 3.09Å; K262-K270 PolarHBondContact O-NZ 3.46Å
263	R	93.7	Very high	96.7	Very high	189 Å²	189	48.3 Å²	48.3	71%	0.713	22%	0.224	S	C	*	.	S	Bend	trans	-80.5	153.1	167.4	-67.4	-67.5	-175	173.8	-1.1	109.4
264	P	94.4	Very high	96.8	Very high	72 Å²	72	48.2 Å²	48.2	47%	0.468	22%	0.223	S	C	.	.	S	Bend	cis	-70.6	176.7	2.2	31.4	-37.4	0	0	0	114.1	K262 F266 D267 K270	K262-P264 VanDerWaalsContact O-O 3.09Å; P264-F266 VanDerWaalsContact CG-O 3.29Å; P264-F266 WeakPolarHBondContact CG-O 3.45Å; P264-F266 PolarHBondContact O-N 2.94Å; P264-D267 HydrophobicContact CG-CB 4.05Å; P264-K270 PolarHBondContact O-NZ 3.21Å
265	I	90.4	Very high	96.8	Very high	60 Å²	60	47.5 Å²	47.5	31%	0.308	21%	0.211	S	C	.	.	S	Bend	trans	-60.2	-40.5	176.7	-66.7	169.3	0	0	0	110.1	K270 V306	I265-K270 WeakPolarHBondContact O-CD 3.41Å; I265-K270 VanDerWaalsContact O-CE 3.32Å; I265-K270 WeakPolarHBondContact O-CE 3.35Å; I265-K270 PolarHBondContact O-NZ 3.27Å; I265-K270 VanDerWaalsContact O-NZ 3.12Å; I265-V306 HydrophobicContact CD1-CG1 3.97Å; I265-V306 HydrophobicContact CG2-CG1 4.08Å
266	F	95.6	Very high	96.8	Very high	48 Å²	48	47 Å²	47	21%	0.211	21%	0.209	C	C	.	.			trans	-135.4	136	-177.4	169.6	-95	0	0	0	110.5	P264 L271 E316 E317 L320	P264-F266 VanDerWaalsContact CG-O 3.29Å; P264-F266 WeakPolarHBondContact CG-O 3.45Å; P264-F266 PolarHBondContact O-N 2.94Å; F266-L271 HydrophobicContact CE2-CB 4.28Å; F266-E316 HydrophobicContact CE1-CB 4.4Å; F266-E316 VanDerWaalsContact CE2-C 3.47Å; F266-E316 HydrophobicContact CE2-CB 3.65Å; F266-E316 HydrophobicContact CZ-CB 3.34Å; F266-E316 HydrophobicContact CZ-CG 4.38Å; F266-E317 HydrophobicContact CB-CB 4.48Å; F266-E317 HydrophobicContact CB-CG 4.05Å; F266-E317 HydrophobicContact CD2-CB 3.83Å; F266-E317 HydrophobicContact CD2-CG 4.11Å; F266-E317 HydrophobicContact CE2-CB 4.29Å; F266-E317 HydrophobicContact CG-CB 4.05Å; F266-E317 HydrophobicContact CG-CG 4.16Å; F266-L320 HydrophobicContact CB-CD2 4.31Å; F266-L320 HydrophobicContact CD2-CB 4.34Å; F266-L320 HydrophobicContact CD2-CD2 3.82Å
267	D	96.7	Very high	96.8	Very high	30 Å²	30	47 Å²	47	16%	0.16	21%	0.209	C	C	.	.			trans	-157.5	167.8	165.2	63.7	67.6	0	0	0	108.2	R259 P264 N269 K270 L271	R259-D267 IonicContact CZ-OD1 3.81Å; R259-D267 IonicContact CZ-OD2 3.56Å; R259-D267 IonicContact NH1-OD2 2.61Å; R259-D267 PolarHBondContact NH1-OD2 3.4Å; R259-D267 VanDerWaalsContact NH1-OD2 3.16Å; R259-D267 IonicContact NH2-OD1 2.65Å; R259-D267 PolarHBondContact NH2-OD1 3.43Å; R259-D267 IonicContact NH2-OD2 3.43Å; R259-D267 PolarHBondContact NH2-OD2 3.49Å; P264-D267 HydrophobicContact CG-CB 4.05Å; D267-N269 VanDerWaalsContact C-N 3.33Å; D267-N269 PolarHBondContact O-N 2.7Å; D267-N269 WeakPolarHBondContact OD1-CA 3.22Å; D267-N269 WeakPolarHBondContact OD1-CB 3.43Å; D267-N269 PolarHBondContact OD1-N 3.28Å; D267-K270 PolarHBondContact O-N 3.06Å; D267-K270 WeakPolarHBondContact OD1-CB 3.32Å; D267-K270 PolarHBondContact OD1-N 3.13Å; D267-L271 PolarHBondContact O-N 2.85Å
268	K	97.1	Very high	96.7	Very high	135 Å²	135	46.7 Å²	46.7	59%	0.587	21%	0.207	S	C	*	.	H	α-helix	trans	-63.4	-36	-175.5	-67.5	-171	172.9	-167.1	0	113.6	L271 Y272	K268-L271 PolarHBondContact O-N 3.35Å; K268-Y272 PolarHBondContact O-N 3.32Å; K268-Y272 VanDerWaalsContact O-N 3.11Å
269	N	98	Very high	96.6	Very high	10 Å²	10	40.1 Å²	40.1	5%	0.053	18%	0.183	C	C	.	.	H	α-helix	trans	-70.6	-37	178.1	-70.5	-11.2	0	0	0	110.6	E217 A223 V226 H227 D267 Y272 V273	E217-N269 WeakPolarHBondContact OE2-CB 3.44Å; E217-N269 PolarHBondContact OE2-ND2 3.37Å; A223-N269 PolarHBondContact O-ND2 2.9Å; A223-N269 PolarHBondContact O-OD1 3.01Å; V226-N269 HydrophobicContact CG1-CB 4.35Å; H227-N269 WeakPolarHBondContact CB-OD1 3.41Å; H227-N269 PolarHBondContact ND1-OD1 3.29Å; D267-N269 VanDerWaalsContact C-N 3.33Å; D267-N269 PolarHBondContact O-N 2.7Å; D267-N269 WeakPolarHBondContact OD1-CA 3.22Å; D267-N269 WeakPolarHBondContact OD1-CB 3.43Å; D267-N269 PolarHBondContact OD1-N 3.28Å; N269-Y272 PolarHBondContact O-N 2.71Å; N269-V273 WeakPolarHBondContact O-CB 3.36Å; N269-V273 WeakPolarHBondContact O-CG2 3.31Å; N269-V273 PolarHBondContact O-N 3.16Å
270	K	97.8	Very high	96.6	Very high	3 Å²	3	39.6 Å²	39.6	1%	0.013	18%	0.181	C	C	.	.	H	α-helix	trans	-67.6	-36.7	176.4	-167.7	168.3	176.6	174.5	0	112.6	L260 K262 P264 I265 D267 S274 L320	L260-K270 HydrophobicContact CD1-CG 4.06Å; L260-K270 WeakPolarHBondContact O-CE 3.26Å; L260-K270 PolarHBondContact O-NZ 3.46Å; K262-K270 PolarHBondContact O-NZ 3.46Å; P264-K270 PolarHBondContact O-NZ 3.21Å; I265-K270 WeakPolarHBondContact O-CD 3.41Å; I265-K270 VanDerWaalsContact O-CE 3.32Å; I265-K270 WeakPolarHBondContact O-CE 3.35Å; I265-K270 PolarHBondContact O-NZ 3.27Å; I265-K270 VanDerWaalsContact O-NZ 3.12Å; D267-K270 PolarHBondContact O-N 3.06Å; D267-K270 WeakPolarHBondContact OD1-CB 3.32Å; D267-K270 PolarHBondContact OD1-N 3.13Å; K270-S274 PolarHBondContact O-N 2.98Å; K270-S274 VanDerWaalsContact O-N 3.09Å; K270-L320 HydrophobicContact CG-CD1 4.3Å; K270-L320 HydrophobicContact CG-CD2 4.4Å
271	L	97.7	Very high	96.5	Very high	16 Å²	16	39.6 Å²	39.6	8%	0.084	18%	0.181	C	C	.	.	H	α-helix	trans	-57	-54.2	168.7	174.2	58.8	0	0	0	110.1	F266 D267 K268 V273 S274 E275 E316 E319 L320	F266-L271 HydrophobicContact CE2-CB 4.28Å; D267-L271 PolarHBondContact O-N 2.85Å; K268-L271 PolarHBondContact O-N 3.35Å; L271-V273 VanDerWaalsContact C-N 3.31Å; L271-V273 PolarHBondContact O-N 2.94Å; L271-S274 WeakPolarHBondContact O-CA 3.39Å; L271-S274 WeakPolarHBondContact O-CB 3.42Å; L271-S274 PolarHBondContact O-N 3.35Å; L271-S274 PolarHBondContact O-OG 3.33Å; L271-E275 WeakPolarHBondContact CD1-OE1 3.22Å; L271-E275 PolarHBondContact O-N 2.95Å; L271-E275 VanDerWaalsContact O-N 3.14Å; L271-E316 HydrophobicContact CD2-CB 4Å; L271-E316 HydrophobicContact CD2-CG 4.41Å; L271-E319 HydrophobicContact CD1-CB 3.89Å; L271-L320 HydrophobicContact CD1-CB 3.95Å
272	Y	98.2	Very high	96.3	Very high	30 Å²	30	36.1 Å²	36.1	12%	0.118	17%	0.165	C	C	.	.	H	α-helix	trans	-63.6	-37	-177.8	-154	3	0	0	0	113	H227 L230 G231 E234 K268 N269 S274 E275 L276	H227-Y272 AromaticContact CE1-CD2 3.44Å; H227-Y272 VanDerWaalsContact CE1-CD2 3.44Å; H227-Y272 WeakPolarHBondContact CE1-CD2 3.39Å; H227-Y272 AromaticContact ND1-CD2 3.62Å; H227-Y272 AromaticContact NE2-CD2 3.86Å; H227-Y272 AromaticContact NE2-CE2 3.96Å; H227-Y272 WeakPolarHBondContact O-CE2 3.35Å; L230-Y272 HydrophobicContact CB-CD2 3.58Å; L230-Y272 HydrophobicContact CB-CE2 3.83Å; L230-Y272 HydrophobicContact CB-CG 4Å; L230-Y272 HydrophobicContact CD1-CD2 4.1Å; L230-Y272 HydrophobicContact CD1-CG 4.12Å; L230-Y272 HydrophobicContact CG-CD2 4.49Å; G231-Y272 WeakPolarHBondContact CA-OH 3.07Å; E234-Y272 WeakPolarHBondContact OE2-CE1 3.23Å; E234-Y272 VanDerWaalsContact OE2-CZ 3.23Å; E234-Y272 PolarHBondContact OE2-OH 3.24Å; K268-Y272 PolarHBondContact O-N 3.32Å; K268-Y272 VanDerWaalsContact O-N 3.11Å; N269-Y272 PolarHBondContact O-N 2.71Å; Y272-S274 VanDerWaalsContact C-N 3.27Å; Y272-S274 PolarHBondContact O-N 2.83Å; Y272-E275 HydrophobicContact CD1-CB 4.45Å; Y272-E275 WeakPolarHBondContact CD1-OE2 3.43Å; Y272-E275 PolarHBondContact O-N 3.49Å; Y272-L276 WeakPolarHBondContact O-CB 3.29Å; Y272-L276 PolarHBondContact O-N 2.94Å
273	V	98.4	Very high	96	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-57.6	-40	171.7	163.2	0	0	0	0	111.9	L230 W255 L256 R259 L260 N269 L271 L277	L230-V273 HydrophobicContact CD1-CG2 3.92Å; W255-V273 HydrophobicContact CH2-CG2 4.29Å; W255-V273 HydrophobicContact CZ3-CG2 3.75Å; L256-V273 HydrophobicContact CB-CG1 4.09Å; L256-V273 HydrophobicContact CD2-CB 4.15Å; L256-V273 HydrophobicContact CD2-CG1 3.87Å; L256-V273 HydrophobicContact CD2-CG2 3.87Å; L256-V273 WeakPolarHBondContact O-CG1 3.5Å; R259-V273 HydrophobicContact CB-CG2 4.37Å; R259-V273 HydrophobicContact CG-CG2 3.92Å; L260-V273 HydrophobicContact CB-CG1 4.31Å; N269-V273 WeakPolarHBondContact O-CB 3.36Å; N269-V273 WeakPolarHBondContact O-CG2 3.31Å; N269-V273 PolarHBondContact O-N 3.16Å; L271-V273 VanDerWaalsContact C-N 3.31Å; L271-V273 PolarHBondContact O-N 2.94Å; V273-L277 VanDerWaalsContact O-CB 3.26Å; V273-L277 WeakPolarHBondContact O-CB 3.2Å; V273-L277 PolarHBondContact O-N 3.25Å
274	S	97.9	Very high	95.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-70.2	-35.4	178.9	74.6	0	0	0	0	112.7	K270 L271 Y272 S278 L320 N323	K270-S274 PolarHBondContact O-N 2.98Å; K270-S274 VanDerWaalsContact O-N 3.09Å; L271-S274 WeakPolarHBondContact O-CA 3.39Å; L271-S274 WeakPolarHBondContact O-CB 3.42Å; L271-S274 PolarHBondContact O-N 3.35Å; L271-S274 PolarHBondContact O-OG 3.33Å; Y272-S274 VanDerWaalsContact C-N 3.27Å; Y272-S274 PolarHBondContact O-N 2.83Å; S274-S278 WeakPolarHBondContact O-CB 2.9Å; S274-S278 PolarHBondContact O-N 3.34Å; S274-L320 VanDerWaalsContact CB-CD1 3.48Å; S274-L320 WeakPolarHBondContact OG-CD1 3.29Å; S274-N323 VanDerWaalsContact OG-CB 3.3Å; S274-N323 WeakPolarHBondContact OG-CB 2.98Å; S274-N323 PolarHBondContact OG-ND2 3.26Å; S274-N323 VanDerWaalsContact OG-ND2 3.13Å
275	E	96.9	Very high	95.9	Very high	39 Å²	39	29 Å²	29	18%	0.182	14%	0.138	C	C	.	.	H	α-helix	trans	-66.8	-50.9	176	-66.5	168.3	175.4	0	0	110.1	P26 L271 Y272 L277 S278 I279 N323	P26-E275 HydrophobicContact CB-CG 4.38Å; P26-E275 HydrophobicContact CG-CB 4.45Å; P26-E275 HydrophobicContact CG-CG 4.28Å; L271-E275 WeakPolarHBondContact CD1-OE1 3.22Å; L271-E275 PolarHBondContact O-N 2.95Å; L271-E275 VanDerWaalsContact O-N 3.14Å; Y272-E275 HydrophobicContact CD1-CB 4.45Å; Y272-E275 WeakPolarHBondContact CD1-OE2 3.43Å; Y272-E275 PolarHBondContact O-N 3.49Å; E275-L277 VanDerWaalsContact C-N 3.34Å; E275-L277 PolarHBondContact O-N 2.97Å; E275-S278 WeakPolarHBondContact O-CA 3.23Å; E275-S278 VanDerWaalsContact O-CB 3.26Å; E275-S278 WeakPolarHBondContact O-CB 3.44Å; E275-S278 PolarHBondContact O-N 2.98Å; E275-I279 WeakPolarHBondContact O-CG1 3.45Å; E275-I279 PolarHBondContact O-N 3.22Å; E275-N323 WeakPolarHBondContact CG-ND2 3.13Å
276	L	97.7	Very high	96.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.9	-42.4	179.2	-166.1	62.4	0	0	0	111.7	L230 I233 E234 L237 L252 L256 Y272 S278 I279 L280	L230-L276 HydrophobicContact CD2-CD2 3.8Å; I233-L276 HydrophobicContact CB-CD2 4.3Å; I233-L276 HydrophobicContact CG2-CD1 4.26Å; I233-L276 HydrophobicContact CG2-CD2 3.88Å; E234-L276 HydrophobicContact CB-CD1 4.26Å; L237-L276 HydrophobicContact CD1-CD1 3.51Å; L252-L276 HydrophobicContact CD1-CD2 4.03Å; L256-L276 HydrophobicContact CD1-CD2 4.33Å; L256-L276 HydrophobicContact CD1-CG 4.32Å; L256-L276 HydrophobicContact CD2-CD2 4.15Å; Y272-L276 WeakPolarHBondContact O-CB 3.29Å; Y272-L276 PolarHBondContact O-N 2.94Å; L276-S278 VanDerWaalsContact C-N 3.29Å; L276-S278 PolarHBondContact O-N 3.25Å; L276-I279 PolarHBondContact O-N 3.49Å; L276-L280 VanDerWaalsContact O-CG 3.28Å; L276-L280 WeakPolarHBondContact O-CG 3.27Å; L276-L280 PolarHBondContact O-N 3.33Å
277	L	98.2	Very high	96.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.2	-39.9	173.8	-177.7	61.9	0	0	0	111.7	F253 L256 L257 L260 V273 E275 L280 L281 L300	F253-L277 HydrophobicContact CD2-CD1 4.28Å; F253-L277 HydrophobicContact CE2-CD1 3.76Å; F253-L277 HydrophobicContact CZ-CD1 4.25Å; L256-L277 HydrophobicContact CD1-CB 4.39Å; L257-L277 HydrophobicContact CD2-CD1 4.44Å; L257-L277 HydrophobicContact CD2-CD2 3.88Å; L260-L277 HydrophobicContact CD2-CD2 4.41Å; V273-L277 VanDerWaalsContact O-CB 3.26Å; V273-L277 WeakPolarHBondContact O-CB 3.2Å; V273-L277 PolarHBondContact O-N 3.25Å; E275-L277 VanDerWaalsContact C-N 3.34Å; E275-L277 PolarHBondContact O-N 2.97Å; L277-L280 PolarHBondContact O-N 3.3Å; L277-L281 HydrophobicContact CD1-CD1 4.15Å; L277-L281 HydrophobicContact CD1-CG 4.3Å; L277-L281 HydrophobicContact CG-CD1 3.99Å; L277-L281 VanDerWaalsContact O-CG 3.23Å; L277-L281 WeakPolarHBondContact O-CG 3.38Å; L277-L281 PolarHBondContact O-N 3.24Å; L277-L281 VanDerWaalsContact O-N 3.14Å; L277-L300 HydrophobicContact CD2-CD2 4.35Å
278	S	96.6	Very high	96.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.8	-48.9	176	-165.4	0	0	0	0	110.7	S274 E275 L276 L280 L281 Q282 C327	S274-S278 WeakPolarHBondContact O-CB 2.9Å; S274-S278 PolarHBondContact O-N 3.34Å; E275-S278 WeakPolarHBondContact O-CA 3.23Å; E275-S278 VanDerWaalsContact O-CB 3.26Å; E275-S278 WeakPolarHBondContact O-CB 3.44Å; E275-S278 PolarHBondContact O-N 2.98Å; L276-S278 VanDerWaalsContact C-N 3.29Å; L276-S278 PolarHBondContact O-N 3.25Å; S278-L280 PolarHBondContact O-N 3.32Å; S278-L281 PolarHBondContact O-N 3.22Å; S278-Q282 WeakPolarHBondContact O-CG 3.49Å; S278-Q282 PolarHBondContact O-N 3.24Å; S278-Q282 PolarHBondContact OG-NE2 2.93Å; S278-C327 VanDerWaalsContact CA-SG 3.58Å; S278-C327 PolarHBondContact N-SG 2.89Å
279	I	95.4	Very high	96.2	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.015	11%	0.11	C	C	.	.	H	α-helix	trans	-55.5	-52.7	177	-67.4	160.8	0	0	0	111	P25 L28 E234 L237 E275 L276 L281 Q282 M283	P25-I279 HydrophobicContact CB-CG1 4.33Å; L28-I279 HydrophobicContact CD2-CD1 3.76Å; L28-I279 HydrophobicContact CD2-CG1 4.36Å; E234-I279 HydrophobicContact CG-CD1 4.45Å; L237-I279 HydrophobicContact CD1-CG2 4.25Å; E275-I279 WeakPolarHBondContact O-CG1 3.45Å; E275-I279 PolarHBondContact O-N 3.22Å; L276-I279 PolarHBondContact O-N 3.49Å; I279-L281 VanDerWaalsContact C-N 3.26Å; I279-L281 PolarHBondContact O-N 3.19Å; I279-Q282 PolarHBondContact O-N 2.96Å; I279-M283 HydrophobicContact CG2-CG 4.31Å; I279-M283 HydrophobicContact CG2-SD 3.48Å; I279-M283 WeakPolarHBondContact CG2-SD 3.35Å; I279-M283 VanDerWaalsContact O-CG 3.29Å; I279-M283 WeakPolarHBondContact O-CG 3.43Å; I279-M283 PolarHBondContact O-N 3.36Å; I279-M283 VanDerWaalsContact O-N 3.1Å
280	L	96.6	Very high	96.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-55.5	-41.2	-179.4	-67.4	176.3	0	0	0	112.1	L237 N244 A248 L252 F253 L256 L276 L277 S278 N287	L237-L280 HydrophobicContact CD1-CD2 3.67Å; L237-L280 HydrophobicContact CD1-CG 4.43Å; L237-L280 HydrophobicContact CD2-CD2 3.91Å; L237-L280 HydrophobicContact CG-CD2 4.46Å; N244-L280 PolarHBondContact ND2-O 3.45Å; N244-L280 WeakPolarHBondContact OD1-CD2 3.46Å; A248-L280 HydrophobicContact CB-CD2 4.42Å; L252-L280 HydrophobicContact CD2-CD1 4.03Å; L252-L280 HydrophobicContact CD2-CD2 4.33Å; L252-L280 HydrophobicContact CG-CD1 4.28Å; F253-L280 HydrophobicContact CD2-CD1 4.25Å; L256-L280 HydrophobicContact CD1-CD1 3.55Å; L276-L280 VanDerWaalsContact O-CG 3.28Å; L276-L280 WeakPolarHBondContact O-CG 3.27Å; L276-L280 PolarHBondContact O-N 3.33Å; L277-L280 PolarHBondContact O-N 3.3Å; S278-L280 PolarHBondContact O-N 3.32Å; L280-N287 WeakPolarHBondContact O-CB 3.28Å; L280-N287 PolarHBondContact O-ND2 3.26Å
281	L	96.7	Very high	96.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-76.1	-32.6	-178.3	-67.8	171.6	0	0	0	113.3	F253 L277 S278 I279 N287 R288 L291 C327	F253-L281 HydrophobicContact CE2-CD2 4.21Å; F253-L281 HydrophobicContact CZ-CD2 4.34Å; L277-L281 HydrophobicContact CD1-CD1 4.15Å; L277-L281 HydrophobicContact CD1-CG 4.3Å; L277-L281 HydrophobicContact CG-CD1 3.99Å; L277-L281 VanDerWaalsContact O-CG 3.23Å; L277-L281 WeakPolarHBondContact O-CG 3.38Å; L277-L281 PolarHBondContact O-N 3.24Å; L277-L281 VanDerWaalsContact O-N 3.14Å; S278-L281 PolarHBondContact O-N 3.22Å; I279-L281 VanDerWaalsContact C-N 3.26Å; I279-L281 PolarHBondContact O-N 3.19Å; L281-N287 HydrophobicContact CD2-CB 4.38Å; L281-R288 HydrophobicContact CB-CG 4.24Å; L281-R288 HydrophobicContact CD2-CG 4.06Å; L281-R288 VanDerWaalsContact O-CD 3.24Å; L281-R288 WeakPolarHBondContact O-CD 3.34Å; L281-R288 WeakPolarHBondContact O-CG 3.46Å; L281-R288 PolarHBondContact O-NE 3.16Å; L281-L291 HydrophobicContact CD1-CD2 4.1Å; L281-L291 HydrophobicContact CD2-CB 3.98Å; L281-L291 HydrophobicContact CD2-CD1 4.49Å; L281-L291 HydrophobicContact CD2-CD2 4.19Å; L281-L291 HydrophobicContact CD2-CG 4.44Å; L281-C327 HydrophobicContact CD1-CB 3.64Å
282	Q	91.8	Very high	96	Very high	19 Å²	19	23 Å²	23	9%	0.089	11%	0.111	C	C	.	.	H	α-helix	trans	-74.7	-35.9	-180	-68.9	177.4	20	0	0	112.2	P22 P23 P24 P25 S278 I279 S330	P22-Q282 HydrophobicContact CB-CB 3.88Å; P22-Q282 HydrophobicContact CB-CG 3.78Å; P22-Q282 HydrophobicContact CG-CB 4.47Å; P23-Q282 PolarHBondContact O-NE2 3.27Å; P23-Q282 VanDerWaalsContact O-NE2 3.15Å; P23-Q282 PolarHBondContact O-OE1 3.2Å; P24-Q282 VanDerWaalsContact C-OE1 3.29Å; P24-Q282 PolarHBondContact O-NE2 3.22Å; P25-Q282 VanDerWaalsContact CD-OE1 3.23Å; S278-Q282 WeakPolarHBondContact O-CG 3.49Å; S278-Q282 PolarHBondContact O-N 3.24Å; S278-Q282 PolarHBondContact OG-NE2 2.93Å; I279-Q282 PolarHBondContact O-N 2.96Å; Q282-S330 WeakPolarHBondContact CG-OG 3.33Å
283	M	89.7	Confident	95.9	Very high	72 Å²	72	26.7 Å²	26.7	36%	0.355	13%	0.129	S	C	.	.	H	α-helix	trans	-72.8	-33.9	-175.4	-71.7	175.1	80	0	0	113.6	N244 I279	N244-M283 HydrophobicContact CB-CE 4.23Å; N244-M283 WeakPolarHBondContact ND2-CB 3.4Å; I279-M283 HydrophobicContact CG2-CG 4.31Å; I279-M283 HydrophobicContact CG2-SD 3.48Å; I279-M283 WeakPolarHBondContact CG2-SD 3.35Å; I279-M283 VanDerWaalsContact O-CG 3.29Å; I279-M283 WeakPolarHBondContact O-CG 3.43Å; I279-M283 PolarHBondContact O-N 3.36Å; I279-M283 VanDerWaalsContact O-N 3.1Å
284	D	92.4	Very high	95.7	Very high	61 Å²	61	29.9 Å²	29.9	33%	0.326	15%	0.148	S	C	.	.			trans	-142.1	144.1	-172.9	-154.4	-60.8	0	0	0	113.8	N244 V245 A286 R288	N244-D284 VanDerWaalsContact ND2-CB 3.34Å; N244-D284 WeakPolarHBondContact ND2-CB 3.44Å; V245-D284 HydrophobicContact CG2-CB 3.75Å; V245-D284 VanDerWaalsContact CG2-OD2 3.24Å; V245-D284 WeakPolarHBondContact CG2-OD2 3.34Å; D284-A286 WeakPolarHBondContact OD1-CB 3.43Å; D284-A286 PolarHBondContact OD1-N 2.83Å; D284-R288 PolarHBondContact O-NE 3.25Å; D284-R288 VanDerWaalsContact O-NE 3.14Å
285	E	93.8	Very high	95.6	Very high	84 Å²	84	34.4 Å²	34.4	39%	0.393	17%	0.172	S	C	.	.	H	α-helix	trans	-71.1	-33.2	174.5	-167.7	-179.7	116.2	0	0	112.9	N287 R288 R289 L334	E285-N287 VanDerWaalsContact C-N 3.29Å; E285-N287 PolarHBondContact O-N 3.1Å; E285-R288 VanDerWaalsContact CA-NH2 3.34Å; E285-R288 WeakPolarHBondContact O-CB 3.29Å; E285-R288 PolarHBondContact O-N 2.83Å; E285-R288 VanDerWaalsContact O-N 3.1Å; E285-R289 PolarHBondContact O-N 3.07Å; E285-R289 IonicContact OE1-CZ 2.97Å; E285-R289 IonicContact OE1-NH1 3.65Å; E285-R289 IonicContact OE1-NH2 2.97Å; E285-R289 PolarHBondContact OE1-NH2 3.46Å; E285-L334 HydrophobicContact CG-CD1 4.18Å; E285-L334 HydrophobicContact CG-CD2 3.62Å; E285-L334 HydrophobicContact CG-CG 4.24Å
286	A	95.7	Very high	95.6	Very high	34 Å²	34	32.5 Å²	32.5	28%	0.281	16%	0.164	S	C	.	.	H	α-helix	trans	-58	-43.3	178.9	0	0	0	0	0	111.4	V245 D284 R288 R289 Q290	V245-A286 HydrophobicContact CG1-CB 4Å; V245-A286 HydrophobicContact CG2-CB 3.85Å; D284-A286 WeakPolarHBondContact OD1-CB 3.43Å; D284-A286 PolarHBondContact OD1-N 2.83Å; A286-R288 PolarHBondContact O-N 3.18Å; A286-R289 PolarHBondContact O-N 3.32Å; A286-Q290 WeakPolarHBondContact O-CB 3.47Å; A286-Q290 PolarHBondContact O-N 3.44Å
287	N	96.6	Very high	95.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.6	-37.4	176.7	-69.8	-13.3	0	0	0	112	N244 A248 F253 L280 L281 E285 Q290 L291	N244-N287 PolarHBondContact ND2-ND2 3.27Å; N244-N287 PolarHBondContact OD1-ND2 2.92Å; A248-N287 WeakPolarHBondContact CB-OD1 3.37Å; F253-N287 HydrophobicContact CE2-CB 4.44Å; L280-N287 WeakPolarHBondContact O-CB 3.28Å; L280-N287 PolarHBondContact O-ND2 3.26Å; L281-N287 HydrophobicContact CD2-CB 4.38Å; E285-N287 VanDerWaalsContact C-N 3.29Å; E285-N287 PolarHBondContact O-N 3.1Å; N287-Q290 PolarHBondContact O-N 3.11Å; N287-L291 PolarHBondContact O-N 3.49Å
288	R	97	Very high	95.7	Very high	26 Å²	26	35.4 Å²	35.4	10%	0.098	18%	0.179	C	C	.	.	H	α-helix	trans	-64.4	-40.2	174.9	-69.1	175.8	-88.5	156.6	-2.6	111.7	L281 D284 E285 A286 L291 G292 S330 L334 N337	L281-R288 HydrophobicContact CB-CG 4.24Å; L281-R288 HydrophobicContact CD2-CG 4.06Å; L281-R288 VanDerWaalsContact O-CD 3.24Å; L281-R288 WeakPolarHBondContact O-CD 3.34Å; L281-R288 WeakPolarHBondContact O-CG 3.46Å; L281-R288 PolarHBondContact O-NE 3.16Å; D284-R288 PolarHBondContact O-NE 3.25Å; D284-R288 VanDerWaalsContact O-NE 3.14Å; E285-R288 VanDerWaalsContact CA-NH2 3.34Å; E285-R288 WeakPolarHBondContact O-CB 3.29Å; E285-R288 PolarHBondContact O-N 2.83Å; E285-R288 VanDerWaalsContact O-N 3.1Å; A286-R288 PolarHBondContact O-N 3.18Å; R288-L291 WeakPolarHBondContact O-CB 3.47Å; R288-G292 PolarHBondContact O-N 3.3Å; R288-S330 WeakPolarHBondContact CD-O 3.46Å; R288-L334 HydrophobicContact CB-CD1 3.65Å; R288-L334 HydrophobicContact CB-CG 4.3Å; R288-N337 PolarHBondContact O-ND2 3.47Å
289	R	96.3	Very high	95.7	Very high	78 Å²	78	36.2 Å²	36.2	29%	0.294	18%	0.183	S	C	.	.	H	α-helix	trans	-66	-47.5	175.8	-177.3	175.9	-67.9	97.2	3.6	110.9	E285 A286 L291 G292 E293 L334	E285-R289 PolarHBondContact O-N 3.07Å; E285-R289 IonicContact OE1-CZ 2.97Å; E285-R289 IonicContact OE1-NH1 3.65Å; E285-R289 IonicContact OE1-NH2 2.97Å; E285-R289 PolarHBondContact OE1-NH2 3.46Å; A286-R289 PolarHBondContact O-N 3.32Å; R289-L291 VanDerWaalsContact C-N 3.32Å; R289-L291 PolarHBondContact O-N 3.29Å; R289-G292 PolarHBondContact O-N 3.37Å; R289-G292 VanDerWaalsContact O-N 3.07Å; R289-E293 WeakPolarHBondContact O-CG 3.22Å; R289-E293 PolarHBondContact O-N 3.35Å; R289-E293 VanDerWaalsContact O-N 3.08Å; R289-L334 HydrophobicContact CB-CD1 3.84Å; R289-L334 VanDerWaalsContact N-CD1 3.31Å
290	Q	96.4	Very high	95.9	Very high	38 Å²	38	36.1 Å²	36.1	18%	0.178	18%	0.183	C	C	.	.	H	α-helix	trans	-58.1	-42.3	177	-176.3	175.3	3	0	0	111.9	N249 F253 A286 N287 G292 E293 V294	N249-Q290 PolarHBondContact OD1-NE2 3.33Å; N249-Q290 PolarHBondContact OD1-OE1 3.32Å; N249-Q290 VanDerWaalsContact OD1-OE1 3.07Å; F253-Q290 HydrophobicContact CD1-CG 4.11Å; F253-Q290 HydrophobicContact CE1-CG 4.04Å; A286-Q290 WeakPolarHBondContact O-CB 3.47Å; A286-Q290 PolarHBondContact O-N 3.44Å; N287-Q290 PolarHBondContact O-N 3.11Å; Q290-G292 VanDerWaalsContact C-N 3.26Å; Q290-G292 PolarHBondContact O-N 3.11Å; Q290-E293 PolarHBondContact O-N 3.08Å; Q290-E293 VanDerWaalsContact O-N 3.11Å; Q290-V294 WeakPolarHBondContact O-CG2 3.35Å; Q290-V294 PolarHBondContact O-N 3.11Å; Q290-V294 VanDerWaalsContact O-N 3.11Å
291	L	97.8	Very high	96	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-52.2	-46.7	174.2	-169.2	78.9	0	0	0	111.7	F253 L257 L281 N287 R288 R289 G296 I297 L300 S331	F253-L291 HydrophobicContact CE1-CB 4.36Å; F253-L291 HydrophobicContact CE1-CD1 4.09Å; F253-L291 HydrophobicContact CZ-CB 3.77Å; F253-L291 HydrophobicContact CZ-CD1 3.58Å; F253-L291 HydrophobicContact CZ-CG 4.28Å; L257-L291 HydrophobicContact CD1-CD1 4.14Å; L257-L291 HydrophobicContact CD2-CD1 3.74Å; L257-L291 HydrophobicContact CG-CD1 4.48Å; L281-L291 HydrophobicContact CD1-CD2 4.1Å; L281-L291 HydrophobicContact CD2-CB 3.98Å; L281-L291 HydrophobicContact CD2-CD1 4.49Å; L281-L291 HydrophobicContact CD2-CD2 4.19Å; L281-L291 HydrophobicContact CD2-CG 4.44Å; N287-L291 PolarHBondContact O-N 3.49Å; R288-L291 WeakPolarHBondContact O-CB 3.47Å; R289-L291 VanDerWaalsContact C-N 3.32Å; R289-L291 PolarHBondContact O-N 3.29Å; L291-G296 VanDerWaalsContact O-CA 3.29Å; L291-G296 WeakPolarHBondContact O-CA 3.47Å; L291-G296 PolarHBondContact O-N 3.38Å; L291-I297 HydrophobicContact CD2-CD1 4Å; L291-L300 HydrophobicContact CD2-CD1 3.81Å; L291-S331 WeakPolarHBondContact CD2-OG 3.49Å
292	G	96.2	Very high	96	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.9	-45.2	177.8	0	0	0	0	0	112.5	R288 R289 Q290 V294 D295 N337 R340	R288-G292 PolarHBondContact O-N 3.3Å; R289-G292 PolarHBondContact O-N 3.37Å; R289-G292 VanDerWaalsContact O-N 3.07Å; Q290-G292 VanDerWaalsContact C-N 3.26Å; Q290-G292 PolarHBondContact O-N 3.11Å; G292-V294 VanDerWaalsContact C-N 3.27Å; G292-V294 PolarHBondContact O-N 3.07Å; G292-D295 PolarHBondContact O-N 3.3Å; G292-N337 WeakPolarHBondContact CA-OD1 3.43Å; G292-R340 VanDerWaalsContact O-CD 3.27Å; G292-R340 WeakPolarHBondContact O-CD 3.46Å; G292-R340 PolarHBondContact O-NE 3.05Å; G292-R340 VanDerWaalsContact O-NE 3.15Å; G292-R340 PolarHBondContact O-NH1 3.47Å
293	E	95.4	Very high	96.3	Very high	107 Å²	107	42.3 Å²	42.3	50%	0.5	21%	0.212	S	C	.	.	H	α-helix	trans	-64.5	-28.2	-177.6	-69.9	174.2	176.2	0	0	113.8	R289 Q290	R289-E293 WeakPolarHBondContact O-CG 3.22Å; R289-E293 PolarHBondContact O-N 3.35Å; R289-E293 VanDerWaalsContact O-N 3.08Å; Q290-E293 PolarHBondContact O-N 3.08Å; Q290-E293 VanDerWaalsContact O-N 3.11Å
294	V	95.2	Very high	96.7	Very high	67 Å²	67	38.9 Å²	38.9	41%	0.406	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	24.5	-179.6	-55.4	0	0	0	0	113.8	F253 L257 Q290 G292 G296	F253-V294 HydrophobicContact CE1-CG2 3.97Å; L257-V294 HydrophobicContact CD1-CG2 3.47Å; L257-V294 VanDerWaalsContact CD1-CG2 3.47Å; Q290-V294 WeakPolarHBondContact O-CG2 3.35Å; Q290-V294 PolarHBondContact O-N 3.11Å; Q290-V294 VanDerWaalsContact O-N 3.11Å; G292-V294 VanDerWaalsContact C-N 3.27Å; G292-V294 PolarHBondContact O-N 3.07Å; V294-G296 PolarHBondContact O-N 3.48Å; V294-G296 VanDerWaalsContact O-N 3.1Å
295	D	95.2	Very high	96.9	Very high	94 Å²	94	37.8 Å²	37.8	50%	0.503	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	25.8	-178.1	-56.9	-38.3	0	0	0	113.6	G292 I297 D298 I299 R340	G292-D295 PolarHBondContact O-N 3.3Å; D295-I297 PolarHBondContact O-N 3.41Å; D295-D298 PolarHBondContact O-N 2.88Å; D295-D298 VanDerWaalsContact O-N 3.11Å; D295-I299 PolarHBondContact O-N 3.5Å; D295-R340 IonicContact OD1-NH1 2.72Å
296	G	97.8	Very high	97	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.5	-26.6	-179.9	0	0	0	0	0	113.3	L291 V294 D298 I299 L300	L291-G296 VanDerWaalsContact O-CA 3.29Å; L291-G296 WeakPolarHBondContact O-CA 3.47Å; L291-G296 PolarHBondContact O-N 3.38Å; V294-G296 PolarHBondContact O-N 3.48Å; V294-G296 VanDerWaalsContact O-N 3.1Å; G296-D298 VanDerWaalsContact C-N 3.35Å; G296-I299 PolarHBondContact O-N 3.01Å; G296-L300 WeakPolarHBondContact O-CG 3.42Å; G296-L300 PolarHBondContact O-N 2.85Å
297	I	98.4	Very high	97	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-60.9	-44.9	172.5	-58.7	-61.5	0	0	0	110.8	L291 D295 I299 L300 L301 L328 N337 R340 F341	L291-I297 HydrophobicContact CD2-CD1 4Å; D295-I297 PolarHBondContact O-N 3.41Å; I297-I299 VanDerWaalsContact C-N 3.34Å; I297-I299 PolarHBondContact O-N 3.12Å; I297-L300 PolarHBondContact O-N 2.73Å; I297-L301 HydrophobicContact CG2-CD1 4.13Å; I297-L301 VanDerWaalsContact O-CG 3.29Å; I297-L301 WeakPolarHBondContact O-CG 3.35Å; I297-L301 PolarHBondContact O-N 3.22Å; I297-L328 HydrophobicContact CD1-CD1 4.41Å; I297-N337 HydrophobicContact CD1-CB 4.12Å; I297-N337 HydrophobicContact CG1-CB 4.48Å; I297-R340 HydrophobicContact CB-CB 4.4Å; I297-R340 HydrophobicContact CG1-CB 4.17Å; I297-F341 HydrophobicContact CG2-CB 4.11Å; I297-F341 HydrophobicContact CG2-CD2 4.43Å
298	D	98.3	Very high	96.9	Very high	59 Å²	59	38.4 Å²	38.4	32%	0.316	19%	0.191	S	C	.	.	H	α-helix	trans	-67.4	-37.9	178.7	-69.3	-22.8	0	0	0	111.1	D295 G296 L301 Q302 G344	D295-D298 PolarHBondContact O-N 2.88Å; D295-D298 VanDerWaalsContact O-N 3.11Å; G296-D298 VanDerWaalsContact C-N 3.35Å; D298-L301 PolarHBondContact O-N 2.73Å; D298-Q302 WeakPolarHBondContact O-CB 3.39Å; D298-Q302 WeakPolarHBondContact O-CG 3.22Å; D298-Q302 PolarHBondContact O-N 2.99Å; D298-G344 WeakPolarHBondContact OD1-CA 3.36Å
299	I	98.2	Very high	96.6	Very high	17 Å²	17	43.6 Å²	43.6	9%	0.087	21%	0.21	C	C	.	.	H	α-helix	trans	-59.2	-49.4	174.2	-65.1	170.4	0	0	0	110.5	L257 L260 Q261 D295 G296 I297 L301 Q302 Q303	L257-I299 HydrophobicContact CB-CD1 4.15Å; L260-I299 HydrophobicContact CD2-CG2 4.2Å; Q261-I299 HydrophobicContact CG-CG1 4.35Å; Q261-I299 HydrophobicContact CG-CG2 3.7Å; D295-I299 PolarHBondContact O-N 3.5Å; G296-I299 PolarHBondContact O-N 3.01Å; I297-I299 VanDerWaalsContact C-N 3.34Å; I297-I299 PolarHBondContact O-N 3.12Å; I299-L301 PolarHBondContact O-N 2.93Å; I299-Q302 PolarHBondContact O-N 3.33Å; I299-Q303 WeakPolarHBondContact O-CG 3.44Å; I299-Q303 PolarHBondContact O-N 3.19Å
300	L	98.6	Very high	96.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.9	-44.7	178.3	-69.7	179.3	0	0	0	111.4	L260 L277 L291 G296 I297 Q302 Q303 L304 L324 C327 L328	L260-L300 HydrophobicContact CD2-CD2 4.11Å; L277-L300 HydrophobicContact CD2-CD2 4.35Å; L291-L300 HydrophobicContact CD2-CD1 3.81Å; G296-L300 WeakPolarHBondContact O-CG 3.42Å; G296-L300 PolarHBondContact O-N 2.85Å; I297-L300 PolarHBondContact O-N 2.73Å; L300-Q302 VanDerWaalsContact C-N 3.34Å; L300-Q302 PolarHBondContact O-N 2.86Å; L300-Q303 PolarHBondContact O-N 3.19Å; L300-L304 WeakPolarHBondContact O-CB 3.34Å; L300-L304 WeakPolarHBondContact O-CG 3.44Å; L300-L304 PolarHBondContact O-N 2.72Å; L300-L324 HydrophobicContact CD2-CD2 3.78Å; L300-C327 HydrophobicContact CD1-CB 3.79Å; L300-C327 HydrophobicContact CD2-CB 3.98Å; L300-L328 HydrophobicContact CD1-CB 4.27Å; L300-L328 HydrophobicContact CD1-CD1 4.47Å
301	L	98.6	Very high	96.2	Very high	10 Å²	10	48.1 Å²	48.1	5%	0.052	24%	0.237	C	C	.	.	H	α-helix	trans	-61.1	-41.8	176.9	-71.7	175.1	0	0	0	112.1	I297 D298 I299 L304 S305 L328 F341 G344 L349 M350	I297-L301 HydrophobicContact CG2-CD1 4.13Å; I297-L301 VanDerWaalsContact O-CG 3.29Å; I297-L301 WeakPolarHBondContact O-CG 3.35Å; I297-L301 PolarHBondContact O-N 3.22Å; D298-L301 PolarHBondContact O-N 2.73Å; I299-L301 PolarHBondContact O-N 2.93Å; L301-L304 PolarHBondContact O-N 3.47Å; L301-S305 WeakPolarHBondContact O-CB 3.39Å; L301-S305 PolarHBondContact O-N 3.1Å; L301-L328 HydrophobicContact CD2-CD2 4.35Å; L301-F341 HydrophobicContact CD1-CD2 4.32Å; L301-F341 HydrophobicContact CD2-CD2 4.08Å; L301-F341 HydrophobicContact CD2-CE2 3.75Å; L301-G344 WeakPolarHBondContact CD1-O 3.45Å; L301-L349 HydrophobicContact CD2-CD2 3.98Å; L301-M350 HydrophobicContact CD2-CE 4.32Å
302	Q	97.7	Very high	96	Very high	113 Å²	113	48.7 Å²	48.7	53%	0.528	24%	0.241	S	C	.	.	H	α-helix	trans	-63.3	-43.6	176.4	-74	172.9	21.1	0	0	111.9	D298 I299 L300 S305	D298-Q302 WeakPolarHBondContact O-CB 3.39Å; D298-Q302 WeakPolarHBondContact O-CG 3.22Å; D298-Q302 PolarHBondContact O-N 2.99Å; I299-Q302 PolarHBondContact O-N 3.33Å; L300-Q302 VanDerWaalsContact C-N 3.34Å; L300-Q302 PolarHBondContact O-N 2.86Å; Q302-S305 WeakPolarHBondContact O-CB 3.46Å; Q302-S305 PolarHBondContact O-N 2.89Å; Q302-S305 PolarHBondContact O-OG 3.5Å
303	Q	97.4	Very high	95.7	Very high	27 Å²	27	52.1 Å²	52.1	13%	0.126	28%	0.276	C	S	.	.	H	α-helix	trans	-65.1	-45.3	176.5	-64.2	-43.4	-65.8	0	0	111.9	L260 I299 L300 S305 V306 L324	L260-Q303 HydrophobicContact CD1-CG 4.26Å; L260-Q303 HydrophobicContact CD2-CG 3.98Å; L260-Q303 HydrophobicContact CG-CG 3.76Å; L260-Q303 VanDerWaalsContact O-CD 3.26Å; L260-Q303 PolarHBondContact O-OE1 3.18Å; I299-Q303 WeakPolarHBondContact O-CG 3.44Å; I299-Q303 PolarHBondContact O-N 3.19Å; L300-Q303 PolarHBondContact O-N 3.19Å; Q303-S305 PolarHBondContact O-N 3.25Å; Q303-V306 PolarHBondContact O-N 2.94Å; Q303-L324 HydrophobicContact CB-CD1 3.79Å
304	L	98	Very high	95.6	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.3	-27	177.9	-73.2	172.4	0	0	0	112.4	L300 L301 V306 Y307 M321 L324 F325 L328 L349 M353	L300-L304 WeakPolarHBondContact O-CB 3.34Å; L300-L304 WeakPolarHBondContact O-CG 3.44Å; L300-L304 PolarHBondContact O-N 2.72Å; L301-L304 PolarHBondContact O-N 3.47Å; L304-V306 PolarHBondContact O-N 3.46Å; L304-V306 VanDerWaalsContact O-N 3.07Å; L304-Y307 PolarHBondContact O-N 3.43Å; L304-M321 HydrophobicContact CD2-CG 4.41Å; L304-L324 HydrophobicContact CD2-CB 3.7Å; L304-L324 HydrophobicContact CD2-CD1 4.43Å; L304-L324 HydrophobicContact CG-CB 4.08Å; L304-F325 HydrophobicContact CD1-CD1 3.92Å; L304-F325 HydrophobicContact CD1-CE1 3.98Å; L304-F325 HydrophobicContact CD1-CG 4.43Å; L304-F325 HydrophobicContact CD2-CD1 4.1Å; L304-F325 HydrophobicContact CD2-CD2 3.72Å; L304-F325 HydrophobicContact CD2-CE1 4.05Å; L304-F325 HydrophobicContact CD2-CE2 3.65Å; L304-F325 HydrophobicContact CD2-CG 3.96Å; L304-F325 HydrophobicContact CD2-CZ 3.83Å; L304-L328 HydrophobicContact CD1-CD2 3.73Å; L304-L349 HydrophobicContact CB-CD2 4.45Å; L304-M353 HydrophobicContact CB-CE 4.27Å; L304-M353 WeakPolarHBondContact O-CE 3.44Å
305	S	96.9	Very high	95.4	Very high	37 Å²	37	50.1 Å²	50.1	26%	0.259	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-62	-17.9	-179.1	82	0	0	0	0	114.4	L301 Q302 Q303 Y307 K308	L301-S305 WeakPolarHBondContact O-CB 3.39Å; L301-S305 PolarHBondContact O-N 3.1Å; Q302-S305 WeakPolarHBondContact O-CB 3.46Å; Q302-S305 PolarHBondContact O-N 2.89Å; Q302-S305 PolarHBondContact O-OG 3.5Å; Q303-S305 PolarHBondContact O-N 3.25Å; S305-Y307 VanDerWaalsContact C-N 3.28Å; S305-K308 WeakPolarHBondContact O-CD 3.21Å; S305-K308 WeakPolarHBondContact O-CG 3.49Å; S305-K308 PolarHBondContact O-N 3.43Å
306	V	95.7	Very high	95.3	Very high	47 Å²	47	49.5 Å²	49.5	29%	0.285	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-63.7	-36.8	173.3	179.4	0	0	0	0	110.8	I265 Q303 L304 K308	I265-V306 HydrophobicContact CD1-CG1 3.97Å; I265-V306 HydrophobicContact CG2-CG1 4.08Å; Q303-V306 PolarHBondContact O-N 2.94Å; L304-V306 PolarHBondContact O-N 3.46Å; L304-V306 VanDerWaalsContact O-N 3.07Å; V306-K308 VanDerWaalsContact C-N 3.29Å; V306-K308 PolarHBondContact O-N 3.05Å
307	Y	95.5	Very high	95.2	Very high	6 Å²	6	51 Å²	51	2%	0.024	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-89.4	15.1	-176.2	-49.9	-66.9	0	0	0	113.8	L304 S305 R309 H310 P312 E317 M321 S360	L304-Y307 PolarHBondContact O-N 3.43Å; S305-Y307 VanDerWaalsContact C-N 3.28Å; Y307-R309 VanDerWaalsContact C-N 3.29Å; Y307-R309 PolarHBondContact O-N 3.43Å; Y307-H310 WeakPolarHBondContact CA-O 3.5Å; Y307-P312 HydrophobicContact CD1-CG 3.89Å; Y307-P312 HydrophobicContact CE1-CB 4.32Å; Y307-P312 HydrophobicContact CE1-CG 3.84Å; Y307-E317 HydrophobicContact CE1-CG 4.23Å; Y307-M321 HydrophobicContact CD1-SD 4.05Å; Y307-M321 HydrophobicContact CD2-CB 4.05Å; Y307-M321 HydrophobicContact CD2-CG 3.52Å; Y307-M321 HydrophobicContact CD2-SD 3.84Å; Y307-M321 HydrophobicContact CE2-CB 3.72Å; Y307-M321 HydrophobicContact CE2-CG 3.74Å; Y307-M321 HydrophobicContact CE2-SD 4.44Å; Y307-M321 HydrophobicContact CG-CG 3.96Å; Y307-M321 HydrophobicContact CG-SD 3.61Å; Y307-S360 WeakPolarHBondContact O-CB 3.36Å; Y307-S360 PolarHBondContact O-OG 3.12Å
308	K	93.8	Very high	95	Very high	79 Å²	79	51.2 Å²	51.2	34%	0.343	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-69.1	-26.3	178.8	71.1	-170	169.1	-155.7	0	113.5	S305 V306 L349 L352 E356	S305-K308 WeakPolarHBondContact O-CD 3.21Å; S305-K308 WeakPolarHBondContact O-CG 3.49Å; S305-K308 PolarHBondContact O-N 3.43Å; V306-K308 VanDerWaalsContact C-N 3.29Å; V306-K308 PolarHBondContact O-N 3.05Å; K308-L349 HydrophobicContact CB-CD1 4.11Å; K308-L352 HydrophobicContact CB-CD2 4.14Å; K308-L352 HydrophobicContact CD-CD2 4.06Å; K308-L352 HydrophobicContact CG-CD2 4.39Å; K308-E356 WeakPolarHBondContact O-CB 2.96Å; K308-E356 WeakPolarHBondContact O-CG 3.24Å
309	R	91.9	Very high	94.7	Very high	135 Å²	135	51.6 Å²	51.6	51%	0.509	27%	0.269	S	S	.	.	S	Bend	trans	-142.2	6.6	-172.5	-78.2	178.9	-176.6	172.3	6	114	Y307 E356 H358	Y307-R309 VanDerWaalsContact C-N 3.29Å; Y307-R309 PolarHBondContact O-N 3.43Å; R309-E356 HydrophobicContact CG-CG 4.18Å; R309-E356 IonicContact CZ-OE1 2.78Å; R309-E356 IonicContact NE-OE1 3.97Å; R309-E356 PolarHBondContact NE-OE1 2.95Å; R309-E356 IonicContact NH2-OE1 2.9Å; R309-H358 VanDerWaalsContact C-NE2 3.31Å; R309-H358 PolarHBondContact O-NE2 3.14Å; R309-H358 VanDerWaalsContact O-NE2 3.16Å
310	H	91	Very high	94.6	Very high	132 Å²	132	50.8 Å²	50.8	61%	0.611	27%	0.265	S	S	*	.			trans	-142.4	140.3	-177	-60.8	-62.7	0	0	0	108.6	Y307	Y307-H310 WeakPolarHBondContact CA-O 3.5Å
311	D	92.3	Very high	94.5	Very high	78 Å²	78	50.9 Å²	50.9	42%	0.417	27%	0.265	S	S	.	.			trans	-82.3	147.5	171.1	-62.2	-46.6	0	0	0	109.5	H358 M359	D311-H358 VanDerWaalsContact CG-ND1 3.35Å; D311-H358 WeakPolarHBondContact OD1-CA 3.4Å; D311-H358 WeakPolarHBondContact OD1-CB 3.37Å; D311-H358 IonicContact OD1-CG 2.86Å; D311-H358 IonicContact OD1-ND1 2.76Å; D311-H358 PolarHBondContact OD1-ND1 3.16Å; D311-H358 VanDerWaalsContact OD1-ND1 3.12Å; D311-H358 IonicContact OD2-CE1 3.87Å; D311-H358 IonicContact OD2-ND1 3.73Å; D311-H358 PolarHBondContact OD2-ND1 3.02Å; D311-H358 VanDerWaalsContact OD2-ND1 3.14Å; D311-M359 HydrophobicContact CB-CG 4.18Å; D311-M359 HydrophobicContact CB-SD 4.07Å; D311-M359 WeakPolarHBondContact OD1-CG 3.22Å; D311-M359 PolarHBondContact OD1-N 3.34Å
312	P	93.1	Very high	94.3	Very high	13 Å²	13	51 Å²	51	8%	0.084	27%	0.266	C	S	.	.			trans	-52.4	143.9	168.1	-26.4	35.3	0	0	0	112.2	Y307 E317 I318 M321	Y307-P312 HydrophobicContact CD1-CG 3.89Å; Y307-P312 HydrophobicContact CE1-CB 4.32Å; Y307-P312 HydrophobicContact CE1-CG 3.84Å; P312-E317 HydrophobicContact CB-CB 3.92Å; P312-E317 HydrophobicContact CB-CG 3.79Å; P312-I318 HydrophobicContact CB-CB 4.48Å; P312-I318 HydrophobicContact CB-CG1 3.67Å; P312-I318 HydrophobicContact CG-CG1 3.98Å; P312-M321 HydrophobicContact CG-CB 4.35Å; P312-M321 HydrophobicContact CG-CE 4.01Å; P312-M321 HydrophobicContact CG-SD 3.82Å
313	G	90.8	Very high	94.3	Very high	72 Å²	72	46 Å²	46	74%	0.742	24%	0.243	S	C	*	.	S	Bend	trans	-85.6	-16.3	-176.4	0	0	0	0	0	115.1	E317	G313-E317 PolarHBondContact N-OE2 3.13Å
314	S	92.7	Very high	94.3	Very high	41 Å²	41	44.9 Å²	44.9	29%	0.287	24%	0.238	S	C	.	.	S	Bend	trans	-140.7	163.7	-179.2	75.3	0	0	0	0	112.2	E316 E317 I318	S314-E316 VanDerWaalsContact C-N 3.32Å; S314-E316 PolarHBondContact O-N 3.16Å; S314-E317 PolarHBondContact O-N 3.44Å; S314-E317 WeakPolarHBondContact OG-CB 3.09Å; S314-E317 PolarHBondContact OG-N 3.25Å; S314-I318 WeakPolarHBondContact O-CG1 3.48Å; S314-I318 PolarHBondContact O-N 3.01Å
315	Q	91.7	Very high	94.3	Very high	91 Å²	91	44.9 Å²	44.9	43%	0.425	24%	0.238	S	C	.	.	H	α-helix	trans	-60.6	-41.4	175.1	-178.5	59.7	36.5	0	0	112.1	E317 I318 E319	Q315-E317 VanDerWaalsContact C-N 3.32Å; Q315-E317 PolarHBondContact O-N 3.46Å; Q315-I318 WeakPolarHBondContact O-CB 3.4Å; Q315-I318 PolarHBondContact O-N 3.28Å; Q315-E319 PolarHBondContact NE2-OE1 3.35Å; Q315-E319 VanDerWaalsContact NE2-OE1 3.11Å; Q315-E319 PolarHBondContact O-N 2.91Å
316	E	94.1	Very high	94.2	Very high	80 Å²	80	43.9 Å²	43.9	37%	0.374	23%	0.229	S	C	.	.	H	α-helix	trans	-65.6	-35.1	176.2	-63.5	175.2	141.7	0	0	111.6	F266 L271 S314 E319 L320	F266-E316 HydrophobicContact CE1-CB 4.4Å; F266-E316 VanDerWaalsContact CE2-C 3.47Å; F266-E316 HydrophobicContact CE2-CB 3.65Å; F266-E316 HydrophobicContact CZ-CB 3.34Å; F266-E316 HydrophobicContact CZ-CG 4.38Å; L271-E316 HydrophobicContact CD2-CB 4Å; L271-E316 HydrophobicContact CD2-CG 4.41Å; S314-E316 VanDerWaalsContact C-N 3.32Å; S314-E316 PolarHBondContact O-N 3.16Å; E316-E319 PolarHBondContact O-N 3.11Å; E316-L320 PolarHBondContact O-N 3.16Å
317	E	95.2	Very high	94.3	Very high	32 Å²	32	41.6 Å²	41.6	15%	0.15	22%	0.216	C	C	.	.	H	α-helix	trans	-71.2	-32.4	174.8	-168.5	-176.9	178.5	0	0	111.9	F266 Y307 P312 G313 S314 Q315 E319 L320 M321	F266-E317 HydrophobicContact CB-CB 4.48Å; F266-E317 HydrophobicContact CB-CG 4.05Å; F266-E317 HydrophobicContact CD2-CB 3.83Å; F266-E317 HydrophobicContact CD2-CG 4.11Å; F266-E317 HydrophobicContact CE2-CB 4.29Å; F266-E317 HydrophobicContact CG-CB 4.05Å; F266-E317 HydrophobicContact CG-CG 4.16Å; Y307-E317 HydrophobicContact CE1-CG 4.23Å; P312-E317 HydrophobicContact CB-CB 3.92Å; P312-E317 HydrophobicContact CB-CG 3.79Å; G313-E317 PolarHBondContact N-OE2 3.13Å; S314-E317 PolarHBondContact O-N 3.44Å; S314-E317 WeakPolarHBondContact OG-CB 3.09Å; S314-E317 PolarHBondContact OG-N 3.25Å; Q315-E317 VanDerWaalsContact C-N 3.32Å; Q315-E317 PolarHBondContact O-N 3.46Å; E317-E319 VanDerWaalsContact C-N 3.35Å; E317-L320 PolarHBondContact O-N 2.99Å; E317-M321 PolarHBondContact O-N 2.75Å
318	I	93.2	Very high	94.4	Very high	7 Å²	7	41.3 Å²	41.3	4%	0.036	22%	0.215	C	C	.	.	H	α-helix	trans	-60.7	-47.5	170	-64.9	163.8	0	0	0	109.6	P312 S314 Q315 L320 M321 L322 M359 L432 I446	P312-I318 HydrophobicContact CB-CB 4.48Å; P312-I318 HydrophobicContact CB-CG1 3.67Å; P312-I318 HydrophobicContact CG-CG1 3.98Å; S314-I318 WeakPolarHBondContact O-CG1 3.48Å; S314-I318 PolarHBondContact O-N 3.01Å; Q315-I318 WeakPolarHBondContact O-CB 3.4Å; Q315-I318 PolarHBondContact O-N 3.28Å; I318-L320 PolarHBondContact O-N 2.83Å; I318-M321 WeakPolarHBondContact O-CB 3.15Å; I318-M321 PolarHBondContact O-N 3.04Å; I318-M321 VanDerWaalsContact O-N 3.16Å; I318-L322 HydrophobicContact CG2-CD1 3.7Å; I318-L322 HydrophobicContact CG2-CG 4.26Å; I318-L322 VanDerWaalsContact O-CG 3.24Å; I318-L322 WeakPolarHBondContact O-CG 3.05Å; I318-L322 PolarHBondContact O-N 3.03Å; I318-M359 HydrophobicContact CD1-CE 3.46Å; I318-M359 VanDerWaalsContact CD1-CE 3.46Å; I318-M359 HydrophobicContact CD1-SD 4.22Å; I318-M359 HydrophobicContact CG1-CE 3.74Å; I318-M359 HydrophobicContact CG1-SD 4.4Å; I318-M359 HydrophobicContact CG2-CE 4.16Å; I318-L432 HydrophobicContact CD1-CD1 4.3Å; I318-I446 HydrophobicContact CG2-CG2 3.75Å
319	E	93.4	Very high	94.5	Very high	66 Å²	66	37.6 Å²	37.6	31%	0.308	20%	0.198	S	C	.	.	H	α-helix	trans	-59.4	-46.1	178	-73.2	161.1	-158.1	0	0	111.6	L271 Q315 E316 E317 M321 L322 N323	L271-E319 HydrophobicContact CD1-CB 3.89Å; Q315-E319 PolarHBondContact NE2-OE1 3.35Å; Q315-E319 VanDerWaalsContact NE2-OE1 3.11Å; Q315-E319 PolarHBondContact O-N 2.91Å; E316-E319 PolarHBondContact O-N 3.11Å; E317-E319 VanDerWaalsContact C-N 3.35Å; E319-M321 VanDerWaalsContact C-N 3.33Å; E319-M321 PolarHBondContact O-N 2.87Å; E319-L322 PolarHBondContact O-N 2.79Å; E319-L322 VanDerWaalsContact O-N 3.14Å; E319-N323 PolarHBondContact O-N 3.29Å; E319-N323 PolarHBondContact O-ND2 3.26Å
320	L	95.9	Very high	94.7	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-54.4	-48.7	172.7	169.8	63	0	0	0	111.5	F266 K270 L271 S274 E316 E317 I318 L322 N323 L324	F266-L320 HydrophobicContact CB-CD2 4.31Å; F266-L320 HydrophobicContact CD2-CB 4.34Å; F266-L320 HydrophobicContact CD2-CD2 3.82Å; K270-L320 HydrophobicContact CG-CD1 4.3Å; K270-L320 HydrophobicContact CG-CD2 4.4Å; L271-L320 HydrophobicContact CD1-CB 3.95Å; S274-L320 VanDerWaalsContact CB-CD1 3.48Å; S274-L320 WeakPolarHBondContact OG-CD1 3.29Å; E316-L320 PolarHBondContact O-N 3.16Å; E317-L320 PolarHBondContact O-N 2.99Å; I318-L320 PolarHBondContact O-N 2.83Å; L320-L322 VanDerWaalsContact C-N 3.32Å; L320-L322 PolarHBondContact O-N 2.9Å; L320-N323 PolarHBondContact O-N 3.27Å; L320-L324 HydrophobicContact CD1-CD1 4.3Å; L320-L324 HydrophobicContact CD1-CG 4.38Å; L320-L324 HydrophobicContact CG-CD1 4.43Å; L320-L324 VanDerWaalsContact O-CG 3.29Å; L320-L324 WeakPolarHBondContact O-CG 3.47Å; L320-L324 PolarHBondContact O-N 2.86Å; L320-L324 VanDerWaalsContact O-N 3.16Å
321	M	95.8	Very high	94.9	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-59.9	-43.4	179.2	179.9	-174.1	69.3	0	0	111.6	L304 Y307 P312 E317 I318 E319 L324 F325 M359	L304-M321 HydrophobicContact CD2-CG 4.41Å; Y307-M321 HydrophobicContact CD1-SD 4.05Å; Y307-M321 HydrophobicContact CD2-CB 4.05Å; Y307-M321 HydrophobicContact CD2-CG 3.52Å; Y307-M321 HydrophobicContact CD2-SD 3.84Å; Y307-M321 HydrophobicContact CE2-CB 3.72Å; Y307-M321 HydrophobicContact CE2-CG 3.74Å; Y307-M321 HydrophobicContact CE2-SD 4.44Å; Y307-M321 HydrophobicContact CG-CG 3.96Å; Y307-M321 HydrophobicContact CG-SD 3.61Å; P312-M321 HydrophobicContact CG-CB 4.35Å; P312-M321 HydrophobicContact CG-CE 4.01Å; P312-M321 HydrophobicContact CG-SD 3.82Å; E317-M321 PolarHBondContact O-N 2.75Å; I318-M321 WeakPolarHBondContact O-CB 3.15Å; I318-M321 PolarHBondContact O-N 3.04Å; I318-M321 VanDerWaalsContact O-N 3.16Å; E319-M321 VanDerWaalsContact C-N 3.33Å; E319-M321 PolarHBondContact O-N 2.87Å; M321-L324 PolarHBondContact O-N 3.14Å; M321-F325 HydrophobicContact CG-CD2 3.9Å; M321-F325 HydrophobicContact CG-CE2 3.69Å; M321-F325 WeakPolarHBondContact O-CD2 3.02Å; M321-F325 PolarHBondContact O-N 2.64Å; M321-F325 VanDerWaalsContact O-N 3.13Å; M321-F325 HydrophobicContact SD-CE2 4.06Å; M321-M359 HydrophobicContact CE-CB 4.22Å
322	L	95.1	Very high	95.1	Very high	12 Å²	12	21.2 Å²	21.2	6%	0.063	13%	0.126	C	C	.	.	H	α-helix	trans	-66.2	-43.3	-179.1	-66.7	163.4	0	0	0	111.9	I318 E319 L320 L324 F325 D326 S447	I318-L322 HydrophobicContact CG2-CD1 3.7Å; I318-L322 HydrophobicContact CG2-CG 4.26Å; I318-L322 VanDerWaalsContact O-CG 3.24Å; I318-L322 WeakPolarHBondContact O-CG 3.05Å; I318-L322 PolarHBondContact O-N 3.03Å; E319-L322 PolarHBondContact O-N 2.79Å; E319-L322 VanDerWaalsContact O-N 3.14Å; L320-L322 VanDerWaalsContact C-N 3.32Å; L320-L322 PolarHBondContact O-N 2.9Å; L322-L324 PolarHBondContact O-N 3.48Å; L322-F325 CarbonylContact O-C 3.55Å; L322-F325 WeakPolarHBondContact O-CA 3.2Å; L322-F325 WeakPolarHBondContact O-CB 3.34Å; L322-F325 PolarHBondContact O-N 3.49Å; L322-D326 PolarHBondContact O-N 3.48Å; L322-S447 WeakPolarHBondContact CD1-O 3.43Å; L322-S447 WeakPolarHBondContact CD2-O 3.21Å
323	N	96.4	Very high	95	Very high	9 Å²	9	21.1 Å²	21.1	5%	0.048	12%	0.124	C	C	.	.	H	α-helix	trans	-58.9	-37.9	175.7	-66	-25	0	0	0	111.9	P26 S274 E275 E319 L320 D326 C327	P26-N323 VanDerWaalsContact CG-OD1 3.26Å; P26-N323 WeakPolarHBondContact CG-OD1 3.49Å; S274-N323 VanDerWaalsContact OG-CB 3.3Å; S274-N323 WeakPolarHBondContact OG-CB 2.98Å; S274-N323 PolarHBondContact OG-ND2 3.26Å; S274-N323 VanDerWaalsContact OG-ND2 3.13Å; E275-N323 WeakPolarHBondContact CG-ND2 3.13Å; E319-N323 PolarHBondContact O-N 3.29Å; E319-N323 PolarHBondContact O-ND2 3.26Å; L320-N323 PolarHBondContact O-N 3.27Å; N323-D326 PolarHBondContact O-N 3.36Å; N323-C327 PolarHBondContact O-N 2.66Å; N323-C327 PolarHBondContact O-SG 3.13Å
324	L	98	Very high	95.1	Very high	3 Å²	3	18 Å²	18	2%	0.016	9%	0.091	C	C	.	.	H	α-helix	trans	-66.7	-38.7	174.9	-66.6	174.1	0	0	0	112.6	L260 L300 Q303 L304 L320 M321 L322 D326 L328	L260-L324 HydrophobicContact CD1-CD2 3.79Å; L260-L324 HydrophobicContact CD2-CD2 3.64Å; L260-L324 HydrophobicContact CG-CD2 4.31Å; L300-L324 HydrophobicContact CD2-CD2 3.78Å; Q303-L324 HydrophobicContact CB-CD1 3.79Å; L304-L324 HydrophobicContact CD2-CB 3.7Å; L304-L324 HydrophobicContact CD2-CD1 4.43Å; L304-L324 HydrophobicContact CG-CB 4.08Å; L320-L324 HydrophobicContact CD1-CD1 4.3Å; L320-L324 HydrophobicContact CD1-CG 4.38Å; L320-L324 HydrophobicContact CG-CD1 4.43Å; L320-L324 VanDerWaalsContact O-CG 3.29Å; L320-L324 WeakPolarHBondContact O-CG 3.47Å; L320-L324 PolarHBondContact O-N 2.86Å; L320-L324 VanDerWaalsContact O-N 3.16Å; M321-L324 PolarHBondContact O-N 3.14Å; L322-L324 PolarHBondContact O-N 3.48Å; L324-D326 VanDerWaalsContact C-N 3.33Å; L324-L328 PolarHBondContact O-N 3.28Å; L324-L328 VanDerWaalsContact O-N 3.11Å
325	F	97.4	Very high	95.1	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.4	-38	171.6	-80.9	-65.9	0	0	0	111.8	L304 M321 L322 L328 C329 M350 M353 A364 V367	L304-F325 HydrophobicContact CD1-CD1 3.92Å; L304-F325 HydrophobicContact CD1-CE1 3.98Å; L304-F325 HydrophobicContact CD1-CG 4.43Å; L304-F325 HydrophobicContact CD2-CD1 4.1Å; L304-F325 HydrophobicContact CD2-CD2 3.72Å; L304-F325 HydrophobicContact CD2-CE1 4.05Å; L304-F325 HydrophobicContact CD2-CE2 3.65Å; L304-F325 HydrophobicContact CD2-CG 3.96Å; L304-F325 HydrophobicContact CD2-CZ 3.83Å; M321-F325 HydrophobicContact CG-CD2 3.9Å; M321-F325 HydrophobicContact CG-CE2 3.69Å; M321-F325 WeakPolarHBondContact O-CD2 3.02Å; M321-F325 PolarHBondContact O-N 2.64Å; M321-F325 VanDerWaalsContact O-N 3.13Å; M321-F325 HydrophobicContact SD-CE2 4.06Å; L322-F325 CarbonylContact O-C 3.55Å; L322-F325 WeakPolarHBondContact O-CA 3.2Å; L322-F325 WeakPolarHBondContact O-CB 3.34Å; L322-F325 PolarHBondContact O-N 3.49Å; F325-L328 PolarHBondContact O-N 2.89Å; F325-C329 WeakPolarHBondContact O-CB 3.35Å; F325-C329 PolarHBondContact O-N 3Å; F325-C329 PolarHBondContact O-SG 3.41Å; F325-M350 HydrophobicContact CE1-CE 4.25Å; F325-M350 HydrophobicContact CE1-SD 3.97Å; F325-M353 HydrophobicContact CE1-SD 4.31Å; F325-M353 HydrophobicContact CZ-CE 4.32Å; F325-M353 HydrophobicContact CZ-SD 3.87Å; F325-A364 HydrophobicContact CE1-CB 4.45Å; F325-V367 HydrophobicContact CD1-CG2 3.6Å; F325-V367 HydrophobicContact CE1-CG2 4.17Å
326	D	96	Very high	95.3	Very high	16 Å²	16	15 Å²	15	9%	0.086	7%	0.074	C	C	.	.	H	α-helix	trans	-65.7	-43.1	176.8	-71.3	-28.8	0	0	0	111.8	P23 L322 N323 L324 L328 C329 S330 R366	P23-D326 HydrophobicContact CB-CB 4.14Å; P23-D326 WeakPolarHBondContact CB-OD1 3.48Å; P23-D326 HydrophobicContact CG-CB 3.51Å; P23-D326 WeakPolarHBondContact CG-OD1 3.34Å; L322-D326 PolarHBondContact O-N 3.48Å; N323-D326 PolarHBondContact O-N 3.36Å; L324-D326 VanDerWaalsContact C-N 3.33Å; D326-L328 VanDerWaalsContact C-N 3.27Å; D326-L328 PolarHBondContact O-N 3.2Å; D326-C329 PolarHBondContact O-N 3.14Å; D326-S330 WeakPolarHBondContact O-CB 3.31Å; D326-S330 PolarHBondContact O-N 2.65Å; D326-S330 PolarHBondContact O-OG 3Å; D326-S330 VanDerWaalsContact O-OG 3.12Å; D326-R366 IonicContact OD1-CZ 3.49Å; D326-R366 IonicContact OD1-NH1 2.9Å; D326-R366 PolarHBondContact OD1-NH1 3.04Å; D326-R366 IonicContact OD1-NH2 3.89Å; D326-R366 PolarHBondContact OD1-NH2 3.36Å
327	C	97.9	Very high	95.4	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-54.3	-46.6	171.3	-68.5	0	0	0	0	111.1	S278 L281 L300 N323 S331	S278-C327 VanDerWaalsContact CA-SG 3.58Å; S278-C327 PolarHBondContact N-SG 2.89Å; L281-C327 HydrophobicContact CD1-CB 3.64Å; L300-C327 HydrophobicContact CD1-CB 3.79Å; L300-C327 HydrophobicContact CD2-CB 3.98Å; N323-C327 PolarHBondContact O-N 2.66Å; N323-C327 PolarHBondContact O-SG 3.13Å; C327-S331 WeakPolarHBondContact O-CB 3.32Å; C327-S331 PolarHBondContact O-N 3.12Å; C327-S331 PolarHBondContact O-OG 2.88Å
328	L	97.6	Very high	95.5	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-66.7	-44.9	-179.4	-174.5	58.8	0	0	0	111.7	I297 L300 L301 L304 L324 F325 D326 S331 L332 F341 M350 V367	I297-L328 HydrophobicContact CD1-CD1 4.41Å; L300-L328 HydrophobicContact CD1-CB 4.27Å; L300-L328 HydrophobicContact CD1-CD1 4.47Å; L301-L328 HydrophobicContact CD2-CD2 4.35Å; L304-L328 HydrophobicContact CD1-CD2 3.73Å; L324-L328 PolarHBondContact O-N 3.28Å; L324-L328 VanDerWaalsContact O-N 3.11Å; F325-L328 PolarHBondContact O-N 2.89Å; D326-L328 VanDerWaalsContact C-N 3.27Å; D326-L328 PolarHBondContact O-N 3.2Å; L328-S331 PolarHBondContact O-N 3.17Å; L328-L332 HydrophobicContact CD1-CD1 4.28Å; L328-L332 HydrophobicContact CD1-CG 4.39Å; L328-L332 HydrophobicContact CG-CD1 4.01Å; L328-L332 WeakPolarHBondContact O-CB 3.44Å; L328-L332 WeakPolarHBondContact O-CD1 3.38Å; L328-L332 WeakPolarHBondContact O-CG 3.42Å; L328-L332 PolarHBondContact O-N 3.21Å; L328-F341 HydrophobicContact CD1-CD2 3.94Å; L328-F341 HydrophobicContact CD1-CE2 4.21Å; L328-F341 HydrophobicContact CD2-CD2 4.49Å; L328-F341 HydrophobicContact CD2-CE2 3.93Å; L328-F341 HydrophobicContact CG-CE2 4.41Å; L328-M350 HydrophobicContact CD2-CE 4.41Å; L328-V367 HydrophobicContact CD2-CG1 3.86Å; L328-V367 HydrophobicContact CD2-CG2 3.98Å; L328-V367 HydrophobicContact CG-CG1 4.26Å; L328-V367 HydrophobicContact CG-CG2 4.36Å
329	C	95.8	Very high	95.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-57.8	-50.1	174.5	-79.3	0	0	0	0	111.7	P23 F325 D326 S331 L332 Y370	P23-C329 HydrophobicContact CG-CB 4.43Å; F325-C329 WeakPolarHBondContact O-CB 3.35Å; F325-C329 PolarHBondContact O-N 3Å; F325-C329 PolarHBondContact O-SG 3.41Å; D326-C329 PolarHBondContact O-N 3.14Å; C329-S331 VanDerWaalsContact C-N 3.26Å; C329-S331 PolarHBondContact O-N 3.05Å; C329-L332 PolarHBondContact O-N 2.98Å; C329-Y370 HydrophobicContact CB-CD1 3.83Å; C329-Y370 HydrophobicContact CB-CE1 3.81Å; C329-Y370 HydrophobicContact CB-CG 4.19Å; C329-Y370 WeakPolarHBondContact O-CD1 3.44Å
330	S	95.2	Very high	95.9	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.007	6%	0.059	C	C	.	.	H	α-helix	trans	-56.1	-43.7	176.1	-66.3	0	0	0	0	111.5	P23 Q282 R288 D326 L332 M333	P23-S330 WeakPolarHBondContact CD-OG 3.26Å; Q282-S330 WeakPolarHBondContact CG-OG 3.33Å; R288-S330 WeakPolarHBondContact CD-O 3.46Å; D326-S330 WeakPolarHBondContact O-CB 3.31Å; D326-S330 PolarHBondContact O-N 2.65Å; D326-S330 PolarHBondContact O-OG 3Å; D326-S330 VanDerWaalsContact O-OG 3.12Å; S330-L332 PolarHBondContact O-N 3.06Å; S330-M333 VanDerWaalsContact O-CB 3.31Å; S330-M333 WeakPolarHBondContact O-CB 3.32Å; S330-M333 WeakPolarHBondContact O-CG 3.45Å; S330-M333 PolarHBondContact O-N 2.91Å
331	S	96.3	Very high	96	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-67.6	-35.9	-177.8	-56.2	0	0	0	0	113	L291 C327 L328 C329 M333 L334 N337	L291-S331 WeakPolarHBondContact CD2-OG 3.49Å; C327-S331 WeakPolarHBondContact O-CB 3.32Å; C327-S331 PolarHBondContact O-N 3.12Å; C327-S331 PolarHBondContact O-OG 2.88Å; L328-S331 PolarHBondContact O-N 3.17Å; C329-S331 VanDerWaalsContact C-N 3.26Å; C329-S331 PolarHBondContact O-N 3.05Å; S331-M333 PolarHBondContact O-N 3.32Å; S331-M333 VanDerWaalsContact O-N 3.16Å; S331-L334 PolarHBondContact O-N 3.22Å; S331-N337 WeakPolarHBondContact O-CB 3.47Å; S331-N337 PolarHBondContact O-ND2 3.1Å
332	L	95.9	Very high	96.1	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-3	179.1	-71.1	167.5	0	0	0	114	L328 C329 S330 L334 K338 F341 V367 T371	L328-L332 HydrophobicContact CD1-CD1 4.28Å; L328-L332 HydrophobicContact CD1-CG 4.39Å; L328-L332 HydrophobicContact CG-CD1 4.01Å; L328-L332 WeakPolarHBondContact O-CB 3.44Å; L328-L332 WeakPolarHBondContact O-CD1 3.38Å; L328-L332 WeakPolarHBondContact O-CG 3.42Å; L328-L332 PolarHBondContact O-N 3.21Å; C329-L332 PolarHBondContact O-N 2.98Å; S330-L332 PolarHBondContact O-N 3.06Å; L332-L334 PolarHBondContact O-N 3.43Å; L332-K338 HydrophobicContact CD2-CB 4.47Å; L332-K338 HydrophobicContact CD2-CG 3.96Å; L332-K338 WeakPolarHBondContact O-CE 3.46Å; L332-K338 WeakPolarHBondContact O-CG 3.47Å; L332-F341 HydrophobicContact CD2-CB 3.68Å; L332-F341 HydrophobicContact CD2-CD1 4.23Å; L332-F341 HydrophobicContact CD2-CD2 4.21Å; L332-F341 HydrophobicContact CD2-CG 3.79Å; L332-V367 HydrophobicContact CD1-CG1 3.7Å; L332-T371 WeakPolarHBondContact CD1-OG1 3.42Å
333	M	91.6	Very high	96.2	Very high	12 Å²	12	20.5 Å²	20.5	6%	0.059	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.3	167	-61.1	-60.4	-164	0	0	113.1	L20 K21 S330 S331 Y370 V375	L20-M333 HydrophobicContact CB-CE 3.61Å; L20-M333 HydrophobicContact CB-SD 3.66Å; L20-M333 WeakPolarHBondContact O-CE 3.29Å; K21-M333 WeakPolarHBondContact O-CE 3.24Å; S330-M333 VanDerWaalsContact O-CB 3.31Å; S330-M333 WeakPolarHBondContact O-CB 3.32Å; S330-M333 WeakPolarHBondContact O-CG 3.45Å; S330-M333 PolarHBondContact O-N 2.91Å; S331-M333 PolarHBondContact O-N 3.32Å; S331-M333 VanDerWaalsContact O-N 3.16Å; M333-Y370 HydrophobicContact CE-CD1 3.75Å; M333-Y370 HydrophobicContact CE-CE1 3.22Å; M333-Y370 HydrophobicContact SD-CD1 3.95Å; M333-Y370 HydrophobicContact SD-CE1 4.04Å; M333-V375 HydrophobicContact CB-CG1 4.34Å; M333-V375 HydrophobicContact SD-CG1 3.97Å; M333-V375 HydrophobicContact SD-CG2 4.21Å
334	L	92.6	Very high	96.3	Very high	7 Å²	7	21.3 Å²	21.3	4%	0.037	11%	0.105	C	C	.	.	S	Bend	trans	-97.5	127.1	176.9	-72	-179.3	0	0	0	111.3	E285 R288 R289 S331 L332 E336 N337 K338	E285-L334 HydrophobicContact CG-CD1 4.18Å; E285-L334 HydrophobicContact CG-CD2 3.62Å; E285-L334 HydrophobicContact CG-CG 4.24Å; R288-L334 HydrophobicContact CB-CD1 3.65Å; R288-L334 HydrophobicContact CB-CG 4.3Å; R289-L334 HydrophobicContact CB-CD1 3.84Å; R289-L334 VanDerWaalsContact N-CD1 3.31Å; S331-L334 PolarHBondContact O-N 3.22Å; L332-L334 PolarHBondContact O-N 3.43Å; L334-E336 PolarHBondContact O-N 2.89Å; L334-N337 HydrophobicContact CB-CB 4.2Å; L334-N337 PolarHBondContact O-N 3.26Å; L334-N337 VanDerWaalsContact O-N 3.07Å; L334-K338 PolarHBondContact O-N 3.36Å; L334-K338 VanDerWaalsContact O-N 3.12Å
335	P	92.9	Very high	96.3	Very high	20 Å²	20	26.9 Å²	26.9	13%	0.13	13%	0.131	C	C	.	.	H	α-helix	trans	-52.2	-39.1	174.8	-28.8	36.4	0	0	0	114.3	N337 K338 D339 P399	P335-N337 VanDerWaalsContact C-N 3.29Å; P335-N337 PolarHBondContact O-N 2.93Å; P335-K338 WeakPolarHBondContact O-CB 3.39Å; P335-K338 PolarHBondContact O-N 3.08Å; P335-D339 PolarHBondContact O-N 3.32Å; P335-D339 VanDerWaalsContact O-N 3.12Å; P335-P399 HydrophobicContact CB-CB 4.15Å; P335-P399 HydrophobicContact CB-CG 4.23Å; P335-P399 HydrophobicContact CG-CB 3.76Å; P335-P399 HydrophobicContact CG-CG 3.74Å
336	E	95.1	Very high	96.4	Very high	49 Å²	49	26.9 Å²	26.9	23%	0.229	13%	0.131	C	C	.	.	H	α-helix	trans	-63.4	-38.5	179.4	-57.3	82.8	175	0	0	111.1	L334 D339 R340 V397	L334-E336 PolarHBondContact O-N 2.89Å; E336-D339 PolarHBondContact O-N 2.76Å; E336-R340 WeakPolarHBondContact O-CG 2.99Å; E336-R340 PolarHBondContact O-N 3.08Å; E336-V397 HydrophobicContact CG-CB 4.43Å; E336-V397 HydrophobicContact CG-CG2 4.21Å
337	N	96.7	Very high	96.5	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.011	13%	0.127	C	C	.	.	H	α-helix	trans	-73.8	-28.9	176.9	-74.1	-16.4	0	0	0	112.4	R288 G292 I297 S331 L334 P335 D339 R340 F341	R288-N337 PolarHBondContact O-ND2 3.47Å; G292-N337 WeakPolarHBondContact CA-OD1 3.43Å; I297-N337 HydrophobicContact CD1-CB 4.12Å; I297-N337 HydrophobicContact CG1-CB 4.48Å; S331-N337 WeakPolarHBondContact O-CB 3.47Å; S331-N337 PolarHBondContact O-ND2 3.1Å; L334-N337 HydrophobicContact CB-CB 4.2Å; L334-N337 PolarHBondContact O-N 3.26Å; L334-N337 VanDerWaalsContact O-N 3.07Å; P335-N337 VanDerWaalsContact C-N 3.29Å; P335-N337 PolarHBondContact O-N 2.93Å; N337-D339 VanDerWaalsContact C-N 3.32Å; N337-R340 PolarHBondContact O-N 3.13Å; N337-F341 VanDerWaalsContact O-CB 3.23Å; N337-F341 WeakPolarHBondContact O-CB 3.39Å; N337-F341 PolarHBondContact O-N 3.22Å
338	K	96.7	Very high	96.5	Very high	4 Å²	4	28 Å²	28	2%	0.017	14%	0.136	C	C	.	.	H	α-helix	trans	-66.4	-35.2	171	-65.7	-176.8	175.4	-151.6	0	112.2	L332 L334 P335 L342 Y370 T371 C373 V402 V403 N406	L332-K338 HydrophobicContact CD2-CB 4.47Å; L332-K338 HydrophobicContact CD2-CG 3.96Å; L332-K338 WeakPolarHBondContact O-CE 3.46Å; L332-K338 WeakPolarHBondContact O-CG 3.47Å; L334-K338 PolarHBondContact O-N 3.36Å; L334-K338 VanDerWaalsContact O-N 3.12Å; P335-K338 WeakPolarHBondContact O-CB 3.39Å; P335-K338 PolarHBondContact O-N 3.08Å; K338-L342 PolarHBondContact O-N 3.03Å; K338-L342 VanDerWaalsContact O-N 3.08Å; K338-Y370 WeakPolarHBondContact CE-O 3.37Å; K338-Y370 PolarHBondContact NZ-O 2.97Å; K338-T371 PolarHBondContact NZ-O 3.41Å; K338-C373 PolarHBondContact NZ-O 3.45Å; K338-V402 HydrophobicContact CB-CG1 3.44Å; K338-V402 VanDerWaalsContact CB-CG1 3.44Å; K338-V403 HydrophobicContact CD-CG2 4.41Å; K338-N406 PolarHBondContact O-ND2 2.69Å
339	D	96.6	Very high	96.5	Very high	40 Å²	40	29.1 Å²	29.1	21%	0.214	14%	0.142	C	C	.	.	H	α-helix	trans	-68.3	-44.5	173.6	174.4	67.4	0	0	0	110.9	P335 E336 N337 F341 L342 K343 V397 V402	P335-D339 PolarHBondContact O-N 3.32Å; P335-D339 VanDerWaalsContact O-N 3.12Å; E336-D339 PolarHBondContact O-N 2.76Å; N337-D339 VanDerWaalsContact C-N 3.32Å; D339-F341 PolarHBondContact O-N 3.1Å; D339-L342 WeakPolarHBondContact O-CB 3.39Å; D339-L342 PolarHBondContact O-N 3.33Å; D339-K343 WeakPolarHBondContact O-CG 3.2Å; D339-K343 PolarHBondContact O-N 3.22Å; D339-K343 WeakPolarHBondContact OD1-CE 3.22Å; D339-K343 IonicContact OD1-NZ 3.32Å; D339-K343 WeakPolarHBondContact OD2-CE 3.33Å; D339-K343 IonicContact OD2-NZ 2.75Å; D339-K343 PolarHBondContact OD2-NZ 3.48Å; D339-V397 HydrophobicContact CB-CG1 4.47Å; D339-V402 HydrophobicContact CB-CG1 4.12Å; D339-V402 HydrophobicContact CB-CG2 4.04Å
340	R	97.9	Very high	96.6	Very high	83 Å²	83	29.1 Å²	29.1	31%	0.313	14%	0.142	S	C	.	.	H	α-helix	trans	-60.6	-43.3	173.7	-68.3	173.3	-174.5	-84.6	3.3	112.2	G292 D295 I297 E336 N337 L342 K343 G344	G292-R340 VanDerWaalsContact O-CD 3.27Å; G292-R340 WeakPolarHBondContact O-CD 3.46Å; G292-R340 PolarHBondContact O-NE 3.05Å; G292-R340 VanDerWaalsContact O-NE 3.15Å; G292-R340 PolarHBondContact O-NH1 3.47Å; D295-R340 IonicContact OD1-NH1 2.72Å; I297-R340 HydrophobicContact CB-CB 4.4Å; I297-R340 HydrophobicContact CG1-CB 4.17Å; E336-R340 WeakPolarHBondContact O-CG 2.99Å; E336-R340 PolarHBondContact O-N 3.08Å; N337-R340 PolarHBondContact O-N 3.13Å; R340-L342 VanDerWaalsContact C-N 3.32Å; R340-L342 PolarHBondContact O-N 3.21Å; R340-K343 PolarHBondContact O-N 3Å; R340-G344 PolarHBondContact O-N 3.11Å
341	F	98.4	Very high	96.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.8	-40.1	176.5	177	-98	0	0	0	112.6	I297 L301 L328 L332 N337 D339 G346 I347 M350 V367 T371	I297-F341 HydrophobicContact CG2-CB 4.11Å; I297-F341 HydrophobicContact CG2-CD2 4.43Å; L301-F341 HydrophobicContact CD1-CD2 4.32Å; L301-F341 HydrophobicContact CD2-CD2 4.08Å; L301-F341 HydrophobicContact CD2-CE2 3.75Å; L328-F341 HydrophobicContact CD1-CD2 3.94Å; L328-F341 HydrophobicContact CD1-CE2 4.21Å; L328-F341 HydrophobicContact CD2-CD2 4.49Å; L328-F341 HydrophobicContact CD2-CE2 3.93Å; L328-F341 HydrophobicContact CG-CE2 4.41Å; L332-F341 HydrophobicContact CD2-CB 3.68Å; L332-F341 HydrophobicContact CD2-CD1 4.23Å; L332-F341 HydrophobicContact CD2-CD2 4.21Å; L332-F341 HydrophobicContact CD2-CG 3.79Å; N337-F341 VanDerWaalsContact O-CB 3.23Å; N337-F341 WeakPolarHBondContact O-CB 3.39Å; N337-F341 PolarHBondContact O-N 3.22Å; D339-F341 PolarHBondContact O-N 3.1Å; F341-G346 VanDerWaalsContact CE2-CA 3.46Å; F341-G346 VanDerWaalsContact CZ-CA 3.45Å; F341-G346 WeakPolarHBondContact CZ-O 3.37Å; F341-G346 WeakPolarHBondContact O-CA 3.46Å; F341-G346 PolarHBondContact O-N 3.49Å; F341-I347 HydrophobicContact CD1-CD1 4.42Å; F341-I347 HydrophobicContact CD1-CG1 4.27Å; F341-I347 HydrophobicContact CE1-CD1 3.78Å; F341-I347 HydrophobicContact CE1-CG1 3.86Å; F341-M350 HydrophobicContact CZ-CG 3.82Å; F341-V367 HydrophobicContact CE2-CG1 3.99Å; F341-V367 HydrophobicContact CZ-CG1 3.76Å; F341-T371 HydrophobicContact CD1-CG2 3.65Å; F341-T371 HydrophobicContact CE1-CG2 3.76Å; F341-T371 WeakPolarHBondContact CE1-OG1 3.46Å
342	L	98.2	Very high	96.8	Very high	35 Å²	35	30.6 Å²	30.6	18%	0.183	15%	0.15	C	C	.	.	H	α-helix	trans	-63.4	-45.8	174	179.5	58.8	0	0	0	111.4	K338 D339 R340 G344 E345 I347 A405 K409	K338-L342 PolarHBondContact O-N 3.03Å; K338-L342 VanDerWaalsContact O-N 3.08Å; D339-L342 WeakPolarHBondContact O-CB 3.39Å; D339-L342 PolarHBondContact O-N 3.33Å; R340-L342 VanDerWaalsContact C-N 3.32Å; R340-L342 PolarHBondContact O-N 3.21Å; L342-G344 VanDerWaalsContact C-N 3.35Å; L342-E345 PolarHBondContact O-N 3.06Å; L342-I347 HydrophobicContact CD1-CG1 4.2Å; L342-A405 HydrophobicContact CD2-CB 3.61Å; L342-K409 HydrophobicContact CD1-CB 3.6Å; L342-K409 HydrophobicContact CD1-CG 3.65Å
343	K	97.7	Very high	96.8	Very high	150 Å²	150	30.6 Å²	30.6	65%	0.652	15%	0.15	S	C	*	.	H	α-helix	trans	-63.9	-37.7	178.1	-71.7	169.4	177.8	168.8	0	112.6	D339 R340 E345	D339-K343 WeakPolarHBondContact O-CG 3.2Å; D339-K343 PolarHBondContact O-N 3.22Å; D339-K343 WeakPolarHBondContact OD1-CE 3.22Å; D339-K343 IonicContact OD1-NZ 3.32Å; D339-K343 WeakPolarHBondContact OD2-CE 3.33Å; D339-K343 IonicContact OD2-NZ 2.75Å; D339-K343 PolarHBondContact OD2-NZ 3.48Å; R340-K343 PolarHBondContact O-N 3Å; K343-E345 PolarHBondContact O-N 3.1Å
344	G	97.9	Very high	96.9	Very high	25 Å²	25	30.3 Å²	30.3	26%	0.258	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	11.3	175.6	0	0	0	0	0	114.8	D298 L301 R340 L342 G346	D298-G344 WeakPolarHBondContact OD1-CA 3.36Å; L301-G344 WeakPolarHBondContact CD1-O 3.45Å; R340-G344 PolarHBondContact O-N 3.11Å; L342-G344 VanDerWaalsContact C-N 3.35Å; G344-G346 PolarHBondContact O-N 3.04Å
345	E	98	Very high	96.9	Very high	120 Å²	120	36.2 Å²	36.2	56%	0.561	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	26.8	-177.2	-51.6	-156.6	117.6	0	0	114.7	L342 K343 I347 Q348 L349	L342-E345 PolarHBondContact O-N 3.06Å; K343-E345 PolarHBondContact O-N 3.1Å; E345-I347 VanDerWaalsContact C-N 3.3Å; E345-I347 PolarHBondContact O-N 3.23Å; E345-Q348 HydrophobicContact CB-CB 4.23Å; E345-Q348 HydrophobicContact CB-CG 4.28Å; E345-Q348 WeakPolarHBondContact O-CB 3.19Å; E345-Q348 PolarHBondContact O-N 3.33Å; E345-Q348 PolarHBondContact OE1-NE2 3.39Å; E345-Q348 VanDerWaalsContact OE1-NE2 3.1Å; E345-L349 PolarHBondContact O-N 3.22Å
346	G	98.6	Very high	96.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.3	-39.5	-179.1	0	0	0	0	0	112.9	F341 G344 Q348 L349 M350	F341-G346 VanDerWaalsContact CE2-CA 3.46Å; F341-G346 VanDerWaalsContact CZ-CA 3.45Å; F341-G346 WeakPolarHBondContact CZ-O 3.37Å; F341-G346 WeakPolarHBondContact O-CA 3.46Å; F341-G346 PolarHBondContact O-N 3.49Å; G344-G346 PolarHBondContact O-N 3.04Å; G346-Q348 VanDerWaalsContact C-N 3.3Å; G346-Q348 PolarHBondContact O-N 2.9Å; G346-L349 PolarHBondContact O-N 3.02Å; G346-M350 WeakPolarHBondContact O-CG 3.19Å; G346-M350 PolarHBondContact O-N 2.93Å
347	I	98.3	Very high	96.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.4	-41.6	175.5	-65.5	-71.1	0	0	0	111.1	F341 L342 E345 N351 L368 T371 L372 N406 K409 F410 I413	F341-I347 HydrophobicContact CD1-CD1 4.42Å; F341-I347 HydrophobicContact CD1-CG1 4.27Å; F341-I347 HydrophobicContact CE1-CD1 3.78Å; F341-I347 HydrophobicContact CE1-CG1 3.86Å; L342-I347 HydrophobicContact CD1-CG1 4.2Å; E345-I347 VanDerWaalsContact C-N 3.3Å; E345-I347 PolarHBondContact O-N 3.23Å; I347-N351 VanDerWaalsContact O-CB 3.28Å; I347-N351 WeakPolarHBondContact O-CB 2.93Å; I347-N351 PolarHBondContact O-N 3.04Å; I347-L368 HydrophobicContact CD1-CD2 3.86Å; I347-T371 HydrophobicContact CD1-CG2 3.87Å; I347-L372 HydrophobicContact CD1-CD2 4.14Å; I347-N406 HydrophobicContact CD1-CB 4.26Å; I347-N406 WeakPolarHBondContact CG1-OD1 2.83Å; I347-K409 HydrophobicContact CB-CG 4.28Å; I347-K409 HydrophobicContact CG2-CB 4.37Å; I347-K409 HydrophobicContact CG2-CG 4.03Å; I347-F410 HydrophobicContact CG2-CB 4.03Å; I347-F410 HydrophobicContact CG2-CD2 4.18Å; I347-I413 HydrophobicContact CG2-CD1 3.64Å; I347-I413 HydrophobicContact CG2-CG1 4.3Å; I347-I413 WeakPolarHBondContact O-CD1 3.42Å
348	Q	98.2	Very high	96.2	Very high	41 Å²	41	44.8 Å²	44.8	19%	0.192	21%	0.206	C	C	.	.	H	α-helix	trans	-63.7	-45	176.8	-65.6	84.4	-55.4	0	0	111.2	E345 G346 L352 I413	E345-Q348 HydrophobicContact CB-CB 4.23Å; E345-Q348 HydrophobicContact CB-CG 4.28Å; E345-Q348 WeakPolarHBondContact O-CB 3.19Å; E345-Q348 PolarHBondContact O-N 3.33Å; E345-Q348 PolarHBondContact OE1-NE2 3.39Å; E345-Q348 VanDerWaalsContact OE1-NE2 3.1Å; G346-Q348 VanDerWaalsContact C-N 3.3Å; G346-Q348 PolarHBondContact O-N 2.9Å; Q348-L352 WeakPolarHBondContact O-CB 3.49Å; Q348-L352 PolarHBondContact O-N 3.08Å; Q348-I413 HydrophobicContact CB-CD1 4.49Å; Q348-I413 HydrophobicContact CG-CD1 4.34Å; Q348-I413 HydrophobicContact CG-CG2 4.29Å
349	L	98.3	Very high	95.8	Very high	22 Å²	22	46 Å²	46	12%	0.115	21%	0.212	C	C	.	.	H	α-helix	trans	-63.9	-48.1	179.5	-177.6	60.8	0	0	0	111.6	L301 L304 K308 E345 G346 N351 L352 M353	L301-L349 HydrophobicContact CD2-CD2 3.98Å; L304-L349 HydrophobicContact CB-CD2 4.45Å; K308-L349 HydrophobicContact CB-CD1 4.11Å; E345-L349 PolarHBondContact O-N 3.22Å; G346-L349 PolarHBondContact O-N 3.02Å; L349-N351 PolarHBondContact O-N 2.98Å; L349-L352 WeakPolarHBondContact O-CB 3.21Å; L349-L352 PolarHBondContact O-N 3.48Å; L349-L352 VanDerWaalsContact O-N 3.14Å; L349-M353 HydrophobicContact CD1-CE 4.02Å; L349-M353 HydrophobicContact CD2-CE 4.2Å; L349-M353 HydrophobicContact CG-CE 3.97Å; L349-M353 HydrophobicContact CG-SD 4.34Å; L349-M353 WeakPolarHBondContact O-CG 3.5Å; L349-M353 PolarHBondContact O-N 3.19Å
350	M	98.2	Very high	95.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.3	-44.1	179	-63	-53.1	112.4	0	0	111.2	L301 F325 L328 F341 G346 L352 M353 L354 A364 V367 L368	L301-M350 HydrophobicContact CD2-CE 4.32Å; F325-M350 HydrophobicContact CE1-CE 4.25Å; F325-M350 HydrophobicContact CE1-SD 3.97Å; L328-M350 HydrophobicContact CD2-CE 4.41Å; F341-M350 HydrophobicContact CZ-CG 3.82Å; G346-M350 WeakPolarHBondContact O-CG 3.19Å; G346-M350 PolarHBondContact O-N 2.93Å; M350-L352 VanDerWaalsContact C-N 3.26Å; M350-L352 PolarHBondContact O-N 3.34Å; M350-M353 HydrophobicContact CE-SD 3.96Å; M350-M353 PolarHBondContact O-N 2.81Å; M350-M353 VanDerWaalsContact O-N 3.17Å; M350-M353 HydrophobicContact SD-SD 4.22Å; M350-L354 WeakPolarHBondContact O-CG 3.37Å; M350-L354 PolarHBondContact O-N 2.97Å; M350-A364 HydrophobicContact CB-CB 4.28Å; M350-A364 HydrophobicContact SD-CB 3.62Å; M350-V367 HydrophobicContact CG-CB 4.24Å; M350-V367 HydrophobicContact CG-CG1 3.79Å; M350-V367 HydrophobicContact SD-CB 3.84Å; M350-V367 HydrophobicContact SD-CG1 3.78Å; M350-V367 HydrophobicContact SD-CG2 4.21Å; M350-L368 HydrophobicContact CB-CD1 3.9Å; M350-L368 HydrophobicContact CB-CD2 3.91Å; M350-L368 HydrophobicContact CB-CG 3.72Å; M350-L368 HydrophobicContact CG-CD2 4.45Å; M350-L368 HydrophobicContact CG-CG 4.28Å
351	N	97.3	Very high	95.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.2	-28	176.9	-170.1	50.3	0	0	0	112.9	I347 L349 R355 F410 I413 T418	I347-N351 VanDerWaalsContact O-CB 3.28Å; I347-N351 WeakPolarHBondContact O-CB 2.93Å; I347-N351 PolarHBondContact O-N 3.04Å; L349-N351 PolarHBondContact O-N 2.98Å; N351-R355 WeakPolarHBondContact O-CG 3.31Å; N351-R355 PolarHBondContact O-N 3.3Å; N351-R355 PolarHBondContact O-NE 3.45Å; N351-F410 HydrophobicContact CB-CE2 4.46Å; N351-I413 HydrophobicContact CB-CD1 3.49Å; N351-I413 VanDerWaalsContact CB-CD1 3.49Å; N351-I413 HydrophobicContact CB-CG1 4.43Å; N351-I413 PolarHBondContact ND2-O 2.94Å; N351-T418 WeakPolarHBondContact OD1-CB 3.44Å; N351-T418 WeakPolarHBondContact OD1-CG2 3.39Å; N351-T418 PolarHBondContact OD1-OG1 2.81Å
352	L	97.1	Very high	95	Very high	33 Å²	33	42.1 Å²	42.1	17%	0.173	20%	0.196	C	C	.	.	H	α-helix	trans	-67.5	-48.7	169.8	-179.7	63.3	0	0	0	111.1	K308 Q348 L349 M350 L354 R355 E356	K308-L352 HydrophobicContact CB-CD2 4.14Å; K308-L352 HydrophobicContact CD-CD2 4.06Å; K308-L352 HydrophobicContact CG-CD2 4.39Å; Q348-L352 WeakPolarHBondContact O-CB 3.49Å; Q348-L352 PolarHBondContact O-N 3.08Å; L349-L352 WeakPolarHBondContact O-CB 3.21Å; L349-L352 PolarHBondContact O-N 3.48Å; L349-L352 VanDerWaalsContact O-N 3.14Å; M350-L352 VanDerWaalsContact C-N 3.26Å; M350-L352 PolarHBondContact O-N 3.34Å; L352-L354 VanDerWaalsContact C-N 3.27Å; L352-L354 PolarHBondContact O-N 2.78Å; L352-R355 WeakPolarHBondContact O-CB 3.19Å; L352-R355 PolarHBondContact O-N 2.88Å; L352-E356 HydrophobicContact CD1-CG 3.93Å; L352-E356 HydrophobicContact CG-CG 4.2Å; L352-E356 WeakPolarHBondContact O-CG 3.09Å; L352-E356 PolarHBondContact O-N 2.76Å
353	M	95.8	Very high	94.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-57.9	-39.5	177.2	-70.2	169.8	168.7	0	0	112.1	L304 F325 L349 M350 R355 E356 K357 A364	L304-M353 HydrophobicContact CB-CE 4.27Å; L304-M353 WeakPolarHBondContact O-CE 3.44Å; F325-M353 HydrophobicContact CE1-SD 4.31Å; F325-M353 HydrophobicContact CZ-CE 4.32Å; F325-M353 HydrophobicContact CZ-SD 3.87Å; L349-M353 HydrophobicContact CD1-CE 4.02Å; L349-M353 HydrophobicContact CD2-CE 4.2Å; L349-M353 HydrophobicContact CG-CE 3.97Å; L349-M353 HydrophobicContact CG-SD 4.34Å; L349-M353 WeakPolarHBondContact O-CG 3.5Å; L349-M353 PolarHBondContact O-N 3.19Å; M350-M353 HydrophobicContact CE-SD 3.96Å; M350-M353 PolarHBondContact O-N 2.81Å; M350-M353 VanDerWaalsContact O-N 3.17Å; M350-M353 HydrophobicContact SD-SD 4.22Å; M353-R355 VanDerWaalsContact C-N 3.27Å; M353-R355 PolarHBondContact O-N 3.31Å; M353-E356 PolarHBondContact O-N 2.81Å; M353-K357 PolarHBondContact O-N 3.01Å; M353-K357 VanDerWaalsContact O-N 3.16Å; M353-A364 HydrophobicContact CB-CB 3.74Å; M353-A364 HydrophobicContact SD-CB 3.99Å
354	L	94.2	Very high	94.7	Very high	6 Å²	6	33.4 Å²	33.4	3%	0.031	16%	0.157	C	C	.	.	H	α-helix	trans	-59.4	-35.2	173.7	-68.1	-170.7	0	0	0	113.6	M350 L352 R361 A364 L365 L368 L422	M350-L354 WeakPolarHBondContact O-CG 3.37Å; M350-L354 PolarHBondContact O-N 2.97Å; L352-L354 VanDerWaalsContact C-N 3.27Å; L352-L354 PolarHBondContact O-N 2.78Å; L354-R361 HydrophobicContact CD2-CG 3.8Å; L354-R361 WeakPolarHBondContact CD2-O 3.41Å; L354-A364 HydrophobicContact CD2-CB 4.43Å; L354-L365 HydrophobicContact CD2-CB 3.98Å; L354-L368 HydrophobicContact CD1-CD1 3.51Å; L354-L368 HydrophobicContact CG-CD1 4.21Å; L354-L422 HydrophobicContact CD1-CD1 4.19Å; L354-L422 HydrophobicContact CD2-CD1 4.23Å
355	R	93.7	Very high	94.5	Very high	131 Å²	131	32.2 Å²	32.2	49%	0.494	15%	0.145	S	C	.	.	H	α-helix	trans	-78.2	-39.3	-179.7	-72.4	179.5	-68	175.6	2.7	113	N351 L352 M353 K357 T418	N351-R355 WeakPolarHBondContact O-CG 3.31Å; N351-R355 PolarHBondContact O-N 3.3Å; N351-R355 PolarHBondContact O-NE 3.45Å; L352-R355 WeakPolarHBondContact O-CB 3.19Å; L352-R355 PolarHBondContact O-N 2.88Å; M353-R355 VanDerWaalsContact C-N 3.27Å; M353-R355 PolarHBondContact O-N 3.31Å; R355-K357 VanDerWaalsContact C-N 3.33Å; R355-T418 HydrophobicContact CG-CG2 3.37Å
356	E	92.4	Very high	94.4	Very high	71 Å²	71	28.2 Å²	28.2	33%	0.332	12%	0.124	S	C	.	.	H	α-helix	trans	-77.3	-22.2	-175	-59.7	-79.3	-172.9	0	0	111.7	K308 R309 L352 M353 H358	K308-E356 WeakPolarHBondContact O-CB 2.96Å; K308-E356 WeakPolarHBondContact O-CG 3.24Å; R309-E356 HydrophobicContact CG-CG 4.18Å; R309-E356 IonicContact CZ-OE1 2.78Å; R309-E356 IonicContact NE-OE1 3.97Å; R309-E356 PolarHBondContact NE-OE1 2.95Å; R309-E356 IonicContact NH2-OE1 2.9Å; L352-E356 HydrophobicContact CD1-CG 3.93Å; L352-E356 HydrophobicContact CG-CG 4.2Å; L352-E356 WeakPolarHBondContact O-CG 3.09Å; L352-E356 PolarHBondContact O-N 2.76Å; M353-E356 PolarHBondContact O-N 2.81Å; E356-H358 VanDerWaalsContact C-N 3.29Å; E356-H358 PolarHBondContact O-N 2.77Å
357	K	86.6	Confident	94.3	Very high	135 Å²	135	28.2 Å²	28.2	59%	0.587	12%	0.124	S	C	*	.			trans	62.7	28.5	170	-59.4	174.5	-177.1	-178.2	0	115.3	M353 R355	M353-K357 PolarHBondContact O-N 3.01Å; M353-K357 VanDerWaalsContact O-N 3.16Å; R355-K357 VanDerWaalsContact C-N 3.33Å
358	H	89.8	Confident	94.2	Very high	44 Å²	44	28.2 Å²	28.2	20%	0.204	12%	0.124	C	C	.	.	S	Bend	trans	-75.6	177.3	168.5	-76	-68	0	0	0	112.1	R309 D311 E356 S360 R361	R309-H358 VanDerWaalsContact C-NE2 3.31Å; R309-H358 PolarHBondContact O-NE2 3.14Å; R309-H358 VanDerWaalsContact O-NE2 3.16Å; D311-H358 VanDerWaalsContact CG-ND1 3.35Å; D311-H358 WeakPolarHBondContact OD1-CA 3.4Å; D311-H358 WeakPolarHBondContact OD1-CB 3.37Å; D311-H358 IonicContact OD1-CG 2.86Å; D311-H358 IonicContact OD1-ND1 2.76Å; D311-H358 PolarHBondContact OD1-ND1 3.16Å; D311-H358 VanDerWaalsContact OD1-ND1 3.12Å; D311-H358 IonicContact OD2-CE1 3.87Å; D311-H358 IonicContact OD2-ND1 3.73Å; D311-H358 PolarHBondContact OD2-ND1 3.02Å; D311-H358 VanDerWaalsContact OD2-ND1 3.14Å; E356-H358 VanDerWaalsContact C-N 3.29Å; E356-H358 PolarHBondContact O-N 2.77Å; H358-S360 PolarHBondContact O-N 2.97Å; H358-S360 VanDerWaalsContact O-N 3.12Å; H358-R361 WeakPolarHBondContact O-CB 3.41Å; H358-R361 PolarHBondContact O-N 2.73Å
359	M	89.1	Confident	94.1	Very high	30 Å²	30	26.2 Å²	26.2	15%	0.148	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-26.3	178.7	-67.7	-174.8	67.9	0	0	113.4	D311 I318 M321 R361 L432 I446	D311-M359 HydrophobicContact CB-CG 4.18Å; D311-M359 HydrophobicContact CB-SD 4.07Å; D311-M359 WeakPolarHBondContact OD1-CG 3.22Å; D311-M359 PolarHBondContact OD1-N 3.34Å; I318-M359 HydrophobicContact CD1-CE 3.46Å; I318-M359 VanDerWaalsContact CD1-CE 3.46Å; I318-M359 HydrophobicContact CD1-SD 4.22Å; I318-M359 HydrophobicContact CG1-CE 3.74Å; I318-M359 HydrophobicContact CG1-SD 4.4Å; I318-M359 HydrophobicContact CG2-CE 4.16Å; M321-M359 HydrophobicContact CE-CB 4.22Å; M359-R361 PolarHBondContact O-N 3.09Å; M359-L432 HydrophobicContact CE-CD1 4.13Å; M359-I446 HydrophobicContact CE-CD1 3.71Å; M359-I446 HydrophobicContact CE-CG2 4.35Å
360	S	92.3	Very high	93.9	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.007	11%	0.113	C	C	.	.	H	α-helix	trans	-68.2	-16	174.4	57.8	0	0	0	0	113.9	Y307 H358 D362 A364	Y307-S360 WeakPolarHBondContact O-CB 3.36Å; Y307-S360 PolarHBondContact O-OG 3.12Å; H358-S360 PolarHBondContact O-N 2.97Å; H358-S360 VanDerWaalsContact O-N 3.12Å; S360-D362 PolarHBondContact O-N 3.13Å; S360-A364 VanDerWaalsContact O-CB 3.26Å; S360-A364 WeakPolarHBondContact O-CB 3.48Å; S360-A364 PolarHBondContact O-N 3.14Å
361	R	93	Very high	93.9	Very high	25 Å²	25	26.1 Å²	26.1	9%	0.094	11%	0.113	C	C	.	.	H	α-helix	trans	-56.5	-49.2	-176.5	177.3	-175.9	70.1	-139.7	-7.9	112.3	L354 H358 M359 A364 L365 H430	L354-R361 HydrophobicContact CD2-CG 3.8Å; L354-R361 WeakPolarHBondContact CD2-O 3.41Å; H358-R361 WeakPolarHBondContact O-CB 3.41Å; H358-R361 PolarHBondContact O-N 2.73Å; M359-R361 PolarHBondContact O-N 3.09Å; R361-A364 WeakPolarHBondContact O-CB 3.36Å; R361-A364 PolarHBondContact O-N 3.35Å; R361-L365 PolarHBondContact O-N 2.96Å; R361-H430 PolarHBondContact NH2-CD2 3.06Å; R361-H430 VanDerWaalsContact NH2-CD2 3.3Å; R361-H430 PolarHBondContact NH2-NE2 3.45Å
362	D	90.6	Very high	93.8	Very high	15 Å²	15	26.1 Å²	26.1	8%	0.08	11%	0.113	C	C	.	.	H	α-helix	trans	-70.9	-38.9	-168.3	-57.3	-15.2	0	0	0	109.6	S360 L365 R366 H430 M454	S360-D362 PolarHBondContact O-N 3.13Å; D362-L365 WeakPolarHBondContact O-CB 3.4Å; D362-L365 PolarHBondContact O-N 3.31Å; D362-R366 PolarHBondContact O-N 3Å; D362-H430 IonicContact OD2-CD2 3.03Å; D362-M454 HydrophobicContact CB-SD 3.67Å; D362-M454 VanDerWaalsContact OD1-SD 3.38Å
363	S	93.1	Very high	93.3	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.014	11%	0.107	C	C	.	.	H	α-helix	trans	-69.1	-35.7	171.4	-56.1	0	0	0	0	113.3	L365 R366 V367	S363-L365 VanDerWaalsContact C-N 3.28Å; S363-L365 PolarHBondContact O-N 2.95Å; S363-R366 WeakPolarHBondContact O-CB 3.29Å; S363-R366 PolarHBondContact O-N 3.12Å; S363-V367 WeakPolarHBondContact O-CG2 2.87Å; S363-V367 PolarHBondContact O-N 3.22Å
364	A	95.8	Very high	92.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.9	-35	175.1	0	0	0	0	0	112.3	F325 M350 M353 L354 S360 R361 V367 L368	F325-A364 HydrophobicContact CE1-CB 4.45Å; M350-A364 HydrophobicContact CB-CB 4.28Å; M350-A364 HydrophobicContact SD-CB 3.62Å; M353-A364 HydrophobicContact CB-CB 3.74Å; M353-A364 HydrophobicContact SD-CB 3.99Å; L354-A364 HydrophobicContact CD2-CB 4.43Å; S360-A364 VanDerWaalsContact O-CB 3.26Å; S360-A364 WeakPolarHBondContact O-CB 3.48Å; S360-A364 PolarHBondContact O-N 3.14Å; R361-A364 WeakPolarHBondContact O-CB 3.36Å; R361-A364 PolarHBondContact O-N 3.35Å; A364-V367 PolarHBondContact O-N 2.6Å; A364-L368 WeakPolarHBondContact O-CG 3.42Å; A364-L368 PolarHBondContact O-N 3.01Å; A364-L368 VanDerWaalsContact O-N 3.08Å
365	L	95	Very high	90.5	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-63.3	-45.4	172.8	-178.7	64.8	0	0	0	111.2	L354 R361 D362 S363 V367 L368 D369 I419 L422 M454 H457 V458 I461	L354-L365 HydrophobicContact CD2-CB 3.98Å; R361-L365 PolarHBondContact O-N 2.96Å; D362-L365 WeakPolarHBondContact O-CB 3.4Å; D362-L365 PolarHBondContact O-N 3.31Å; S363-L365 VanDerWaalsContact C-N 3.28Å; S363-L365 PolarHBondContact O-N 2.95Å; L365-V367 PolarHBondContact O-N 3.23Å; L365-L368 PolarHBondContact O-N 2.96Å; L365-D369 PolarHBondContact O-N 3.38Å; L365-D369 VanDerWaalsContact O-N 3.11Å; L365-I419 HydrophobicContact CD1-CD1 3.94Å; L365-L422 HydrophobicContact CD1-CD1 4.25Å; L365-M454 HydrophobicContact CD2-CB 4.04Å; L365-M454 HydrophobicContact CD2-CG 4.24Å; L365-H457 HydrophobicContact CD2-CB 4.13Å; L365-H457 HydrophobicContact CG-CB 3.88Å; L365-V458 HydrophobicContact CD1-CG2 4.09Å; L365-V458 HydrophobicContact CD2-CG2 3.91Å; L365-I461 HydrophobicContact CD1-CD1 3.58Å
366	R	94.3	Very high	88.6	Confident	35 Å²	35	23 Å²	23	13%	0.132	11%	0.112	C	C	.	.	H	α-helix	trans	-60.1	-44.4	175.1	-177.4	174	63.9	157.8	6.9	111.7	D326 D362 S363 L368 D369 Y370 P449 H457	D326-R366 IonicContact OD1-CZ 3.49Å; D326-R366 IonicContact OD1-NH1 2.9Å; D326-R366 PolarHBondContact OD1-NH1 3.04Å; D326-R366 IonicContact OD1-NH2 3.89Å; D326-R366 PolarHBondContact OD1-NH2 3.36Å; D362-R366 PolarHBondContact O-N 3Å; S363-R366 WeakPolarHBondContact O-CB 3.29Å; S363-R366 PolarHBondContact O-N 3.12Å; R366-L368 VanDerWaalsContact C-N 3.31Å; R366-L368 PolarHBondContact O-N 3.42Å; R366-D369 WeakPolarHBondContact O-CB 3.48Å; R366-D369 PolarHBondContact O-N 3.14Å; R366-D369 VanDerWaalsContact O-N 3.16Å; R366-Y370 HydrophobicContact CG-CD2 4.13Å; R366-Y370 HydrophobicContact CG-CE2 3.83Å; R366-Y370 VanDerWaalsContact O-CD2 3.22Å; R366-Y370 WeakPolarHBondContact O-CD2 3.48Å; R366-Y370 PolarHBondContact O-N 3.29Å; R366-Y370 VanDerWaalsContact O-N 3.13Å; R366-P449 HydrophobicContact CB-CG 4.42Å; R366-H457 WeakPolarHBondContact CG-NE2 3.19Å
367	V	97	Very high	86	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-56.6	-45.2	174.6	170.1	0	0	0	0	111.4	F325 L328 L332 F341 M350 S363 A364 L365 D369 Y370 T371	F325-V367 HydrophobicContact CD1-CG2 3.6Å; F325-V367 HydrophobicContact CE1-CG2 4.17Å; L328-V367 HydrophobicContact CD2-CG1 3.86Å; L328-V367 HydrophobicContact CD2-CG2 3.98Å; L328-V367 HydrophobicContact CG-CG1 4.26Å; L328-V367 HydrophobicContact CG-CG2 4.36Å; L332-V367 HydrophobicContact CD1-CG1 3.7Å; F341-V367 HydrophobicContact CE2-CG1 3.99Å; F341-V367 HydrophobicContact CZ-CG1 3.76Å; M350-V367 HydrophobicContact CG-CB 4.24Å; M350-V367 HydrophobicContact CG-CG1 3.79Å; M350-V367 HydrophobicContact SD-CB 3.84Å; M350-V367 HydrophobicContact SD-CG1 3.78Å; M350-V367 HydrophobicContact SD-CG2 4.21Å; S363-V367 WeakPolarHBondContact O-CG2 2.87Å; S363-V367 PolarHBondContact O-N 3.22Å; A364-V367 PolarHBondContact O-N 2.6Å; L365-V367 PolarHBondContact O-N 3.23Å; V367-D369 VanDerWaalsContact C-N 3.31Å; V367-D369 PolarHBondContact O-N 2.82Å; V367-Y370 PolarHBondContact O-N 3.23Å; V367-Y370 VanDerWaalsContact O-N 3.13Å; V367-T371 PolarHBondContact O-N 2.97Å; V367-T371 PolarHBondContact O-OG1 3.39Å
368	L	97.4	Very high	83.6	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.3	-36.2	178.4	-74.7	166.9	0	0	0	112.8	I347 M350 L354 A364 L365 R366 T371 L372 F410 I461	I347-L368 HydrophobicContact CD1-CD2 3.86Å; M350-L368 HydrophobicContact CB-CD1 3.9Å; M350-L368 HydrophobicContact CB-CD2 3.91Å; M350-L368 HydrophobicContact CB-CG 3.72Å; M350-L368 HydrophobicContact CG-CD2 4.45Å; M350-L368 HydrophobicContact CG-CG 4.28Å; L354-L368 HydrophobicContact CD1-CD1 3.51Å; L354-L368 HydrophobicContact CG-CD1 4.21Å; A364-L368 WeakPolarHBondContact O-CG 3.42Å; A364-L368 PolarHBondContact O-N 3.01Å; A364-L368 VanDerWaalsContact O-N 3.08Å; L365-L368 PolarHBondContact O-N 2.96Å; R366-L368 VanDerWaalsContact C-N 3.31Å; R366-L368 PolarHBondContact O-N 3.42Å; L368-T371 PolarHBondContact O-N 3.03Å; L368-L372 HydrophobicContact CB-CD1 4.42Å; L368-L372 HydrophobicContact CD2-CD1 4.37Å; L368-L372 VanDerWaalsContact O-CB 3.22Å; L368-L372 WeakPolarHBondContact O-CB 3.49Å; L368-L372 WeakPolarHBondContact O-CG 3.47Å; L368-L372 PolarHBondContact O-N 3.48Å; L368-F410 HydrophobicContact CD1-CE2 3.82Å; L368-F410 HydrophobicContact CD2-CD2 3.99Å; L368-F410 HydrophobicContact CD2-CE2 4.11Å; L368-I461 HydrophobicContact CB-CD1 3.8Å
369	D	95.2	Very high	80.8	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61	-47.2	172.3	-174.1	8.9	0	0	0	110.6	R18 L365 R366 V367 T371 L372 C373 H457 N460 I461	R18-D369 IonicContact CZ-OD1 2.73Å; R18-D369 IonicContact CZ-OD2 2.72Å; R18-D369 IonicContact NH1-OD1 2.74Å; R18-D369 VanDerWaalsContact NH2-CG 3.26Å; R18-D369 IonicContact NH2-OD1 3.48Å; R18-D369 PolarHBondContact NH2-OD1 3.4Å; R18-D369 IonicContact NH2-OD2 2.92Å; R18-D369 PolarHBondContact NH2-OD2 3.15Å; L365-D369 PolarHBondContact O-N 3.38Å; L365-D369 VanDerWaalsContact O-N 3.11Å; R366-D369 WeakPolarHBondContact O-CB 3.48Å; R366-D369 PolarHBondContact O-N 3.14Å; R366-D369 VanDerWaalsContact O-N 3.16Å; V367-D369 VanDerWaalsContact C-N 3.31Å; V367-D369 PolarHBondContact O-N 2.82Å; D369-T371 VanDerWaalsContact C-N 3.31Å; D369-T371 PolarHBondContact O-N 2.86Å; D369-L372 PolarHBondContact O-N 2.87Å; D369-C373 WeakPolarHBondContact O-CB 3.29Å; D369-C373 PolarHBondContact O-N 2.87Å; D369-C373 PolarHBondContact OD1-SG 2.94Å; D369-H457 HydrophobicContact CB-CB 4.21Å; D369-H457 IonicContact OD2-CE1 3.96Å; D369-H457 IonicContact OD2-CG 3.12Å; D369-H457 IonicContact OD2-ND1 3.14Å; D369-H457 PolarHBondContact OD2-ND1 2.72Å; D369-N460 WeakPolarHBondContact OD1-CB 3.47Å; D369-N460 PolarHBondContact OD2-ND2 3.45Å; D369-I461 HydrophobicContact CB-CD1 4.45Å; D369-I461 HydrophobicContact CB-CG1 4.26Å
370	Y	94.9	Very high	78	Confident	19 Å²	19	33.3 Å²	33.3	8%	0.075	17%	0.17	C	C	.	.	H	α-helix	trans	-63.8	-35.5	177.8	-79.3	-120.3	0	0	0	112.7	L20 K21 C329 M333 K338 R366 V367	L20-Y370 HydrophobicContact CB-CD1 4.29Å; L20-Y370 HydrophobicContact CB-CE1 4.01Å; L20-Y370 HydrophobicContact CD1-CD1 4.13Å; L20-Y370 HydrophobicContact CD1-CD2 4.31Å; L20-Y370 HydrophobicContact CD1-CG 3.99Å; L20-Y370 HydrophobicContact CD2-CD2 3.9Å; L20-Y370 HydrophobicContact CD2-CE1 4.39Å; L20-Y370 HydrophobicContact CD2-CE2 3.66Å; L20-Y370 HydrophobicContact CD2-CG 4.35Å; K21-Y370 PolarHBondContact O-OH 3.22Å; C329-Y370 HydrophobicContact CB-CD1 3.83Å; C329-Y370 HydrophobicContact CB-CE1 3.81Å; C329-Y370 HydrophobicContact CB-CG 4.19Å; C329-Y370 WeakPolarHBondContact O-CD1 3.44Å; M333-Y370 HydrophobicContact CE-CD1 3.75Å; M333-Y370 HydrophobicContact CE-CE1 3.22Å; M333-Y370 HydrophobicContact SD-CD1 3.95Å; M333-Y370 HydrophobicContact SD-CE1 4.04Å; K338-Y370 WeakPolarHBondContact CE-O 3.37Å; K338-Y370 PolarHBondContact NZ-O 2.97Å; R366-Y370 HydrophobicContact CG-CD2 4.13Å; R366-Y370 HydrophobicContact CG-CE2 3.83Å; R366-Y370 VanDerWaalsContact O-CD2 3.22Å; R366-Y370 WeakPolarHBondContact O-CD2 3.48Å; R366-Y370 PolarHBondContact O-N 3.29Å; R366-Y370 VanDerWaalsContact O-N 3.13Å; V367-Y370 PolarHBondContact O-N 3.23Å; V367-Y370 VanDerWaalsContact O-N 3.13Å
371	T	96.4	Very high	74.9	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-73.1	-50	177.3	-50.2	0	0	0	0	112	L332 K338 F341 I347 V367 L368 D369 N406	L332-T371 WeakPolarHBondContact CD1-OG1 3.42Å; K338-T371 PolarHBondContact NZ-O 3.41Å; F341-T371 HydrophobicContact CD1-CG2 3.65Å; F341-T371 HydrophobicContact CE1-CG2 3.76Å; F341-T371 WeakPolarHBondContact CE1-OG1 3.46Å; I347-T371 HydrophobicContact CD1-CG2 3.87Å; V367-T371 PolarHBondContact O-N 2.97Å; V367-T371 PolarHBondContact O-OG1 3.39Å; L368-T371 PolarHBondContact O-N 3.03Å; D369-T371 VanDerWaalsContact C-N 3.31Å; D369-T371 PolarHBondContact O-N 2.86Å; T371-N406 HydrophobicContact CG2-CB 3.95Å; T371-N406 VanDerWaalsContact CG2-OD1 3.27Å; T371-N406 WeakPolarHBondContact CG2-OD1 3.35Å
372	L	95.7	Very high	71.8	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-85.3	-23.1	-168.4	-59.3	179	0	0	0	113.3	I347 L368 D369 V403 N406 F410 I461 A464	I347-L372 HydrophobicContact CD1-CD2 4.14Å; L368-L372 HydrophobicContact CB-CD1 4.42Å; L368-L372 HydrophobicContact CD2-CD1 4.37Å; L368-L372 VanDerWaalsContact O-CB 3.22Å; L368-L372 WeakPolarHBondContact O-CB 3.49Å; L368-L372 WeakPolarHBondContact O-CG 3.47Å; L368-L372 PolarHBondContact O-N 3.48Å; D369-L372 PolarHBondContact O-N 2.87Å; L372-V403 WeakPolarHBondContact O-CG1 3.37Å; L372-N406 HydrophobicContact CD2-CB 3.79Å; L372-F410 HydrophobicContact CD1-CB 4.4Å; L372-F410 HydrophobicContact CD1-CD1 4.23Å; L372-F410 HydrophobicContact CD1-CD2 4.45Å; L372-F410 HydrophobicContact CD1-CG 4.11Å; L372-F410 HydrophobicContact CD2-CB 4.39Å; L372-I461 HydrophobicContact CD1-CG1 4.4Å; L372-I461 HydrophobicContact CD1-CG2 3.81Å; L372-A464 HydrophobicContact CB-CB 4.36Å; L372-A464 VanDerWaalsContact O-CB 3.31Å; L372-A464 WeakPolarHBondContact O-CB 3.45Å
373	C	88.1	Confident	68.8	Low	7 Å²	7	49.8 Å²	49.8	5%	0.047	26%	0.26	C	S	.	.	S	Bend	trans	-91.8	136.1	176.1	-64.8	0	0	0	0	110.8	K338 D369 V375	K338-C373 PolarHBondContact NZ-O 3.45Å; D369-C373 WeakPolarHBondContact O-CB 3.29Å; D369-C373 PolarHBondContact O-N 2.87Å; D369-C373 PolarHBondContact OD1-SG 2.94Å; C373-V375 PolarHBondContact O-N 3.25Å
374	P	71.1	Confident	65.6	Low	43 Å²	43	56.5 Å²	56.5	28%	0.279	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-61.7	138.1	174.5	25.2	-32	0	0	0	110.4	S376 H468	P374-S376 PolarHBondContact O-N 2.74Å; P374-H468 WeakPolarHBondContact CD-NE2 3.48Å
375	V	59.2	Low	62.4	Low	38 Å²	38	66.2 Å²	66.2	23%	0.23	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-79.1	119	177.9	-179.4	0	0	0	0	107.2	M333 C373 Q377	M333-V375 HydrophobicContact CB-CG1 4.34Å; M333-V375 HydrophobicContact SD-CG1 3.97Å; M333-V375 HydrophobicContact SD-CG2 4.21Å; C373-V375 PolarHBondContact O-N 3.25Å; V375-Q377 PolarHBondContact O-N 3.49Å; V375-Q377 VanDerWaalsContact O-N 3.11Å
376	S	52.6	Low	59.2	Low	17 Å²	17	73.3 Å²	73.3	12%	0.119	38%	0.378	C	S	.	.			trans	-73.7	104.9	172.5	-179.3	0	0	0	0	109.4	K17 R18 P374 L378	K17-S376 WeakPolarHBondContact CB-OG 3.38Å; K17-S376 WeakPolarHBondContact CD-OG 3.05Å; R18-S376 WeakPolarHBondContact O-CB 3.24Å; P374-S376 PolarHBondContact O-N 2.74Å; S376-L378 PolarHBondContact O-N 3.36Å
377	Q	39.1	Very low	55.9	Low	125 Å²	125	80.9 Å²	80.9	58%	0.584	42%	0.415	S	S	*	.			trans	-57.5	112.4	163.8	-67.4	176.8	-28.2	0	0	108.7	V375	V375-Q377 PolarHBondContact O-N 3.49Å; V375-Q377 VanDerWaalsContact O-N 3.11Å
378	L	35.9	Very low	52.6	Low	75 Å²	75	86.1 Å²	86.1	39%	0.393	45%	0.452	S	S	.	.			trans	-120.3	0.4	171.6	-93.9	174.3	0	0	0	112.5	K17 S376	K17-L378 HydrophobicContact CB-CD1 3.99Å; K17-L378 HydrophobicContact CB-CG 4.27Å; K17-L378 WeakPolarHBondContact O-CD1 3.3Å; S376-L378 PolarHBondContact O-N 3.36Å
379	M	30	Very low	49.3	Very low	157 Å²	157	94.5 Å²	94.5	77%	0.773	49%	0.491	S	S	*	.			trans	-95.2	-7	-168.4	-61	-155	85.4	0	0	116.5
380	D	30.3	Very low	46	Very low	139 Å²	139	103.2 Å²	103.2	74%	0.743	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	43.9	-175.8	-78.9	-16.1	0	0	0	114.7	T383	D380-T383 PolarHBondContact OD1-OG1 3.42Å
381	Q	28.3	Very low	43.1	Very low	128 Å²	128	112.3 Å²	112.3	60%	0.598	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.2	-2	162.9	-76.1	-169.2	6.4	0	0	114.9	S596	Q381-S596 PolarHBondContact NE2-O 2.9Å
382	N	26.8	Very low	40.2	Very low	153 Å²	153	116 Å²	116	82%	0.818	60%	0.597	S	S	*	*	S	Bend	trans	-123.5	4.6	176	-78.6	-11.9	0	0	0	115.4	N384	N382-N384 PolarHBondContact O-N 3.44Å
383	T	28.9	Very low	37.3	Very low	107 Å²	107	123.2 Å²	123.2	66%	0.656	64%	0.641	S	S	*	*	S	Bend	trans	-82.7	93.4	167.4	24.7	0	0	0	0	109.5	D380	D380-T383 PolarHBondContact OD1-OG1 3.42Å
384	N	25.7	Very low	35.3	Very low	143 Å²	143	126.7 Å²	126.7	77%	0.765	66%	0.659	S	S	*	*			trans	-34.7	145.4	172.4	-71.5	-47.3	0	0	0	114.4	N382 L386	N382-N384 PolarHBondContact O-N 3.44Å; N384-L386 PolarHBondContact O-N 2.98Å
385	E	28.9	Very low	34.3	Very low	203 Å²	203	131.4 Å²	131.4	95%	0.949	68%	0.682	S	S	*	*	S	Bend	trans	-57.3	36.5	-178.3	-60.6	-177.6	135	0	0	117.3
386	L	27.2	Very low	34.7	Very low	150 Å²	150	136 Å²	136	79%	0.785	71%	0.71	S	S	*	*			trans	-133.8	79.6	-176.4	-75.1	157.2	0	0	0	110.8	N384	N384-L386 PolarHBondContact O-N 2.98Å
387	Q	26	Very low	35.8	Very low	194 Å²	194	137.1 Å²	137.1	91%	0.907	72%	0.716	S	S	*	*			trans	178.1	84.5	137.7	-95.2	165	40.9	0	0	110.3	H389	Q387-H389 VanDerWaalsContact C-N 3.29Å; Q387-H389 PolarHBondContact O-N 3.45Å
388	S	27.5	Very low	38.1	Very low	110 Å²	110	135.4 Å²	135.4	77%	0.769	71%	0.711	S	S	*	*			trans	-82.6	63.8	166.1	49.2	0	0	0	0	111
389	H	26.6	Very low	40.6	Very low	176 Å²	176	134.6 Å²	134.6	82%	0.815	71%	0.71	S	S	*	*	S	Bend	trans	-148.1	124.8	164.7	-84	-59.9	0	0	0	111.6	Q387	Q387-H389 VanDerWaalsContact C-N 3.29Å; Q387-H389 PolarHBondContact O-N 3.45Å
390	Q	25.8	Very low	43.4	Very low	184 Å²	184	130.2 Å²	130.2	86%	0.86	69%	0.688	S	S	*	*			trans	75.8	57.7	174.4	-55.7	-176.2	9.8	0	0	117.2	S392	Q390-S392 PolarHBondContact O-N 3.06Å
391	K	34.6	Very low	46.3	Very low	210 Å²	210	126.1 Å²	126.1	91%	0.913	67%	0.67	S	S	*	*			trans	-69	89	141.8	-78.6	-177.8	178.4	179.3	0	107.3	T393	K391-T393 PolarHBondContact O-N 3.22Å
392	S	34.8	Very low	49.4	Very low	77 Å²	77	120.2 Å²	120.2	54%	0.538	64%	0.643	S	S	.	*			trans	-49.9	138.7	164.6	45.7	0	0	0	0	108.9	Q390 I394	Q390-S392 PolarHBondContact O-N 3.06Å; S392-I394 PolarHBondContact O-N 3.34Å; S392-I394 WeakPolarHBondContact OG-CD1 3.41Å; S392-I394 VanDerWaalsContact OG-CG1 3.31Å; S392-I394 WeakPolarHBondContact OG-CG1 3.38Å
393	T	34.8	Very low	52.6	Low	151 Å²	151	113.1 Å²	113.1	93%	0.926	61%	0.605	S	S	*	*			trans	-69.6	55.5	-179.3	-44.7	0	0	0	0	111.1	K391	K391-T393 PolarHBondContact O-N 3.22Å
394	I	47.6	Very low	55.8	Low	80 Å²	80	110.8 Å²	110.8	41%	0.41	59%	0.588	S	S	.	*			trans	-82.8	123.7	-175.6	-63.3	176	0	0	0	107.9	S392 T396	S392-I394 PolarHBondContact O-N 3.34Å; S392-I394 WeakPolarHBondContact OG-CD1 3.41Å; S392-I394 VanDerWaalsContact OG-CG1 3.31Å; S392-I394 WeakPolarHBondContact OG-CG1 3.38Å; I394-T396 PolarHBondContact O-N 3.18Å
395	N	50.5	Low	59.1	Low	143 Å²	143	105.8 Å²	105.8	77%	0.765	57%	0.567	S	S	*	*			trans	-34.6	97.8	171.1	-64.2	-37.6	0	0	0	111.2	V397	N395-V397 VanDerWaalsContact C-N 3.3Å; N395-V397 PolarHBondContact O-N 3.22Å
396	T	65.9	Low	62.4	Low	133 Å²	133	96.1 Å²	96.1	82%	0.816	52%	0.521	S	S	*	.			trans	-72.1	93.8	178.9	53.7	0	0	0	0	107.2	I394 D398	I394-T396 PolarHBondContact O-N 3.18Å; T396-D398 PolarHBondContact O-N 3.37Å
397	V	77	Confident	65.8	Low	41 Å²	41	89 Å²	89	25%	0.248	48%	0.484	C	S	.	.			trans	-61.2	121.4	172.4	176.9	0	0	0	0	107	E336 D339 N395 P399 V402	E336-V397 HydrophobicContact CG-CB 4.43Å; E336-V397 HydrophobicContact CG-CG2 4.21Å; D339-V397 HydrophobicContact CB-CG1 4.47Å; N395-V397 VanDerWaalsContact C-N 3.3Å; N395-V397 PolarHBondContact O-N 3.22Å; V397-P399 VanDerWaalsContact O-CD 3.23Å; V397-P399 WeakPolarHBondContact O-CD 3.49Å; V397-P399 VanDerWaalsContact O-N 3.16Å; V397-V402 HydrophobicContact CG1-CB 4.46Å; V397-V402 HydrophobicContact CG1-CG2 3.07Å
398	D	87.1	Confident	69.2	Low	89 Å²	89	80.8 Å²	80.8	48%	0.476	45%	0.448	S	S	.	.			trans	-63.8	116.9	178.5	167.6	34.1	0	0	0	109.5	T396 E400 S401 V402	T396-D398 PolarHBondContact O-N 3.37Å; D398-E400 PolarHBondContact O-N 2.84Å; D398-E400 PolarHBondContact OD1-N 3.1Å; D398-S401 WeakPolarHBondContact CB-OG 3.38Å; D398-S401 PolarHBondContact O-N 3.46Å; D398-S401 PolarHBondContact O-OG 3.42Å; D398-S401 VanDerWaalsContact OD2-CB 3.3Å; D398-S401 WeakPolarHBondContact OD2-CB 3.26Å; D398-S401 PolarHBondContact OD2-N 2.96Å; D398-V402 PolarHBondContact O-N 3.07Å
399	P	87.8	Confident	72.6	Confident	58 Å²	58	78 Å²	78	38%	0.377	42%	0.422	S	S	.	.	H	α-helix	trans	-56.1	-36	-176.9	-24.4	33.6	0	0	0	113.5	P335 V397 V403	P335-P399 HydrophobicContact CB-CB 4.15Å; P335-P399 HydrophobicContact CB-CG 4.23Å; P335-P399 HydrophobicContact CG-CB 3.76Å; P335-P399 HydrophobicContact CG-CG 3.74Å; V397-P399 VanDerWaalsContact O-CD 3.23Å; V397-P399 WeakPolarHBondContact O-CD 3.49Å; V397-P399 VanDerWaalsContact O-N 3.16Å; P399-V403 WeakPolarHBondContact O-CG2 3.49Å; P399-V403 PolarHBondContact O-N 3.01Å
400	E	88.5	Confident	76	Confident	65 Å²	65	69.7 Å²	69.7	30%	0.304	38%	0.383	S	S	.	.	H	α-helix	trans	-73.2	-44.1	-179.1	-176.2	156.6	-155.9	0	0	111.3	D398 V402 V403 I404 H468	D398-E400 PolarHBondContact O-N 2.84Å; D398-E400 PolarHBondContact OD1-N 3.1Å; E400-V402 VanDerWaalsContact C-N 3.26Å; E400-V402 PolarHBondContact O-N 3.44Å; E400-V403 PolarHBondContact O-N 3.22Å; E400-I404 HydrophobicContact CG-CD1 3.93Å; E400-I404 HydrophobicContact CG-CG1 4.42Å; E400-I404 VanDerWaalsContact O-CG1 3.31Å; E400-I404 WeakPolarHBondContact O-CG1 3.41Å; E400-I404 PolarHBondContact O-N 2.79Å; E400-H468 IonicContact OE1-CE1 3.2Å; E400-H468 IonicContact OE1-ND1 3.66Å
401	S	92	Very high	79.4	Confident	54 Å²	54	61.1 Å²	61.1	38%	0.378	34%	0.344	S	S	.	.	H	α-helix	trans	-54.3	-40.2	175.9	76.1	0	0	0	0	113.5	D398 I404 A405	D398-S401 WeakPolarHBondContact CB-OG 3.38Å; D398-S401 PolarHBondContact O-N 3.46Å; D398-S401 PolarHBondContact O-OG 3.42Å; D398-S401 VanDerWaalsContact OD2-CB 3.3Å; D398-S401 WeakPolarHBondContact OD2-CB 3.26Å; D398-S401 PolarHBondContact OD2-N 2.96Å; S401-I404 PolarHBondContact O-N 3.01Å; S401-A405 WeakPolarHBondContact O-CB 3.47Å; S401-A405 PolarHBondContact O-N 3.01Å
402	V	93.4	Very high	82.4	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.024	33%	0.326	C	S	.	.	H	α-helix	trans	-71.7	-39.3	-179.3	176.3	0	0	0	0	111.6	K338 D339 V397 D398 E400 I404 A405 N406	K338-V402 HydrophobicContact CB-CG1 3.44Å; K338-V402 VanDerWaalsContact CB-CG1 3.44Å; D339-V402 HydrophobicContact CB-CG1 4.12Å; D339-V402 HydrophobicContact CB-CG2 4.04Å; V397-V402 HydrophobicContact CG1-CB 4.46Å; V397-V402 HydrophobicContact CG1-CG2 3.07Å; D398-V402 PolarHBondContact O-N 3.07Å; E400-V402 VanDerWaalsContact C-N 3.26Å; E400-V402 PolarHBondContact O-N 3.44Å; V402-I404 VanDerWaalsContact C-N 3.34Å; V402-A405 PolarHBondContact O-N 2.89Å; V402-N406 WeakPolarHBondContact CG1-ND2 3.44Å; V402-N406 PolarHBondContact O-N 3.22Å; V402-N406 PolarHBondContact O-ND2 2.91Å
403	V	93.8	Very high	85.4	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.018	31%	0.308	C	S	.	.	H	α-helix	trans	-63.2	-44	174.7	169.7	0	0	0	0	110.2	K338 L372 P399 E400 A405 N406 C407 H468	K338-V403 HydrophobicContact CD-CG2 4.41Å; L372-V403 WeakPolarHBondContact O-CG1 3.37Å; P399-V403 WeakPolarHBondContact O-CG2 3.49Å; P399-V403 PolarHBondContact O-N 3.01Å; E400-V403 PolarHBondContact O-N 3.22Å; V403-A405 VanDerWaalsContact C-N 3.32Å; V403-A405 PolarHBondContact O-N 3.44Å; V403-N406 PolarHBondContact O-N 3.27Å; V403-C407 WeakPolarHBondContact O-CB 3.4Å; V403-C407 PolarHBondContact O-N 3.27Å; V403-C407 PolarHBondContact O-SG 3.25Å; V403-H468 HydrophobicContact CG1-CB 3.97Å; V403-H468 VanDerWaalsContact CG1-CD2 3.5Å; V403-H468 WeakPolarHBondContact CG1-CD2 3.47Å
404	I	95.3	Very high	88.3	Confident	58 Å²	58	51.4 Å²	51.4	30%	0.297	29%	0.286	S	S	.	.	H	α-helix	trans	-58.2	-44.4	175	-67.1	167.3	0	0	0	111	E400 S401 V402 C407 S408 H468 P470	E400-I404 HydrophobicContact CG-CD1 3.93Å; E400-I404 HydrophobicContact CG-CG1 4.42Å; E400-I404 VanDerWaalsContact O-CG1 3.31Å; E400-I404 WeakPolarHBondContact O-CG1 3.41Å; E400-I404 PolarHBondContact O-N 2.79Å; S401-I404 PolarHBondContact O-N 3.01Å; V402-I404 VanDerWaalsContact C-N 3.34Å; I404-C407 PolarHBondContact O-N 3.01Å; I404-S408 VanDerWaalsContact O-CB 3.28Å; I404-S408 WeakPolarHBondContact O-CB 3.47Å; I404-S408 PolarHBondContact O-N 3.11Å; I404-S408 PolarHBondContact O-OG 3.48Å; I404-H468 HydrophobicContact CG1-CB 4.09Å; I404-H468 WeakPolarHBondContact CG1-O 3.44Å; I404-P470 HydrophobicContact CG2-CG 4.13Å
405	A	96.9	Very high	90.7	Very high	39 Å²	39	47.6 Å²	47.6	32%	0.322	27%	0.266	S	S	.	.	H	α-helix	trans	-63.3	-43.4	178.3	0	0	0	0	0	112.1	L342 S401 V402 V403 S408 K409	L342-A405 HydrophobicContact CD2-CB 3.61Å; S401-A405 WeakPolarHBondContact O-CB 3.47Å; S401-A405 PolarHBondContact O-N 3.01Å; V402-A405 PolarHBondContact O-N 2.89Å; V403-A405 VanDerWaalsContact C-N 3.32Å; V403-A405 PolarHBondContact O-N 3.44Å; A405-S408 PolarHBondContact O-N 2.8Å; A405-K409 WeakPolarHBondContact O-CB 3.26Å; A405-K409 PolarHBondContact O-N 2.72Å
406	N	97.7	Very high	93	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.1	-43.9	176.7	-82	-79.5	0	0	0	112.5	K338 I347 T371 L372 V402 V403 S408 K409 F410	K338-N406 PolarHBondContact O-ND2 2.69Å; I347-N406 HydrophobicContact CD1-CB 4.26Å; I347-N406 WeakPolarHBondContact CG1-OD1 2.83Å; T371-N406 HydrophobicContact CG2-CB 3.95Å; T371-N406 VanDerWaalsContact CG2-OD1 3.27Å; T371-N406 WeakPolarHBondContact CG2-OD1 3.35Å; L372-N406 HydrophobicContact CD2-CB 3.79Å; V402-N406 WeakPolarHBondContact CG1-ND2 3.44Å; V402-N406 PolarHBondContact O-N 3.22Å; V402-N406 PolarHBondContact O-ND2 2.91Å; V403-N406 PolarHBondContact O-N 3.27Å; N406-S408 PolarHBondContact O-N 3.35Å; N406-K409 PolarHBondContact O-N 2.89Å; N406-F410 WeakPolarHBondContact O-CB 3.23Å; N406-F410 PolarHBondContact O-N 3.18Å
407	C	97.6	Very high	94.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.5	-46.2	174.1	-76.6	0	0	0	0	111.6	V403 I404 K409 F410 I411 L465	V403-C407 WeakPolarHBondContact O-CB 3.4Å; V403-C407 PolarHBondContact O-N 3.27Å; V403-C407 PolarHBondContact O-SG 3.25Å; I404-C407 PolarHBondContact O-N 3.01Å; C407-K409 VanDerWaalsContact C-N 3.35Å; C407-K409 PolarHBondContact O-N 3.33Å; C407-F410 PolarHBondContact O-N 3.19Å; C407-I411 WeakPolarHBondContact O-CG1 3.19Å; C407-I411 PolarHBondContact O-N 3.47Å; C407-I411 VanDerWaalsContact O-N 3.09Å; C407-L465 HydrophobicContact CB-CD2 3.99Å
408	S	98	Very high	95.3	Very high	21 Å²	21	42.5 Å²	42.5	15%	0.147	22%	0.219	C	C	.	.	H	α-helix	trans	-59.6	-46.1	176.8	-62.5	0	0	0	0	111.2	I404 A405 N406 F410 I411 E412 P470	I404-S408 VanDerWaalsContact O-CB 3.28Å; I404-S408 WeakPolarHBondContact O-CB 3.47Å; I404-S408 PolarHBondContact O-N 3.11Å; I404-S408 PolarHBondContact O-OG 3.48Å; A405-S408 PolarHBondContact O-N 2.8Å; N406-S408 PolarHBondContact O-N 3.35Å; S408-F410 PolarHBondContact O-N 3.38Å; S408-I411 PolarHBondContact O-N 2.72Å; S408-E412 WeakPolarHBondContact O-CB 3.44Å; S408-E412 PolarHBondContact O-N 3.09Å; S408-P470 WeakPolarHBondContact OG-CD 3.43Å
409	K	98.2	Very high	95.7	Very high	53 Å²	53	38.3 Å²	38.3	23%	0.23	20%	0.196	C	C	.	.	H	α-helix	trans	-62.3	-44.7	177.9	-173.1	60.3	176.9	179.4	0	111.9	L342 I347 A405 N406 C407 I411 E412 I413	L342-K409 HydrophobicContact CD1-CB 3.6Å; L342-K409 HydrophobicContact CD1-CG 3.65Å; I347-K409 HydrophobicContact CB-CG 4.28Å; I347-K409 HydrophobicContact CG2-CB 4.37Å; I347-K409 HydrophobicContact CG2-CG 4.03Å; A405-K409 WeakPolarHBondContact O-CB 3.26Å; A405-K409 PolarHBondContact O-N 2.72Å; N406-K409 PolarHBondContact O-N 2.89Å; C407-K409 VanDerWaalsContact C-N 3.35Å; C407-K409 PolarHBondContact O-N 3.33Å; K409-I411 VanDerWaalsContact C-N 3.29Å; K409-I411 PolarHBondContact O-N 2.92Å; K409-E412 VanDerWaalsContact CD-OE2 3.23Å; K409-E412 WeakPolarHBondContact CD-OE2 3.17Å; K409-E412 IonicContact NZ-OE2 2.69Å; K409-E412 PolarHBondContact NZ-OE2 2.97Å; K409-E412 WeakPolarHBondContact O-CB 3.33Å; K409-E412 PolarHBondContact O-N 2.67Å; K409-I413 HydrophobicContact CD-CG2 4.16Å; K409-I413 WeakPolarHBondContact O-CG1 3.4Å; K409-I413 PolarHBondContact O-N 3.04Å
410	F	98.6	Very high	96.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-57.5	-42.3	178.4	-176.4	-105.2	0	0	0	111.7	I347 N351 L368 L372 N406 C407 S408 I413 G415 I419 I461 L465	I347-F410 HydrophobicContact CG2-CB 4.03Å; I347-F410 HydrophobicContact CG2-CD2 4.18Å; N351-F410 HydrophobicContact CB-CE2 4.46Å; L368-F410 HydrophobicContact CD1-CE2 3.82Å; L368-F410 HydrophobicContact CD2-CD2 3.99Å; L368-F410 HydrophobicContact CD2-CE2 4.11Å; L372-F410 HydrophobicContact CD1-CB 4.4Å; L372-F410 HydrophobicContact CD1-CD1 4.23Å; L372-F410 HydrophobicContact CD1-CD2 4.45Å; L372-F410 HydrophobicContact CD1-CG 4.11Å; L372-F410 HydrophobicContact CD2-CB 4.39Å; N406-F410 WeakPolarHBondContact O-CB 3.23Å; N406-F410 PolarHBondContact O-N 3.18Å; C407-F410 PolarHBondContact O-N 3.19Å; S408-F410 PolarHBondContact O-N 3.38Å; F410-I413 WeakPolarHBondContact O-CG1 3.36Å; F410-G415 VanDerWaalsContact CZ-CA 3.5Å; F410-G415 WeakPolarHBondContact CZ-O 3.39Å; F410-G415 VanDerWaalsContact O-CA 3.25Å; F410-G415 WeakPolarHBondContact O-CA 3.21Å; F410-G415 PolarHBondContact O-N 2.83Å; F410-I419 HydrophobicContact CE1-CB 4.24Å; F410-I419 HydrophobicContact CE1-CG2 4.18Å; F410-I419 HydrophobicContact CZ-CB 4.2Å; F410-I461 HydrophobicContact CE1-CG2 4.5Å; F410-L465 HydrophobicContact CD1-CD1 4.03Å; F410-L465 HydrophobicContact CD1-CD2 3.97Å; F410-L465 HydrophobicContact CE1-CD1 4Å
411	I	98.1	Very high	96.5	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-69.3	-42.5	177	-64.8	171.7	0	0	0	111.5	C407 S408 K409 I413 L414 L416 L465 S469 F474 V478	C407-I411 WeakPolarHBondContact O-CG1 3.19Å; C407-I411 PolarHBondContact O-N 3.47Å; C407-I411 VanDerWaalsContact O-N 3.09Å; S408-I411 PolarHBondContact O-N 2.72Å; K409-I411 VanDerWaalsContact C-N 3.29Å; K409-I411 PolarHBondContact O-N 2.92Å; I411-I413 VanDerWaalsContact C-N 3.28Å; I411-I413 PolarHBondContact O-N 2.98Å; I411-L414 PolarHBondContact O-N 3.44Å; I411-L414 VanDerWaalsContact O-N 3.16Å; I411-L416 HydrophobicContact CG1-CD2 4.03Å; I411-L416 HydrophobicContact CG1-CG 4.2Å; I411-L416 HydrophobicContact CG2-CD1 4.07Å; I411-L416 HydrophobicContact CG2-CG 4.28Å; I411-L465 HydrophobicContact CD1-CD2 4.04Å; I411-L465 HydrophobicContact CG1-CD2 4.05Å; I411-S469 WeakPolarHBondContact CD1-OG 3.26Å; I411-F474 HydrophobicContact CB-CD1 4.06Å; I411-F474 HydrophobicContact CB-CG 4.41Å; I411-F474 HydrophobicContact CD1-CB 3.78Å; I411-F474 HydrophobicContact CD1-CG 4.41Å; I411-F474 HydrophobicContact CG2-CB 4.34Å; I411-F474 HydrophobicContact CG2-CD1 3.48Å; I411-F474 VanDerWaalsContact CG2-CD1 3.48Å; I411-F474 HydrophobicContact CG2-CE1 4.07Å; I411-F474 HydrophobicContact CG2-CG 4.17Å; I411-V478 HydrophobicContact CD1-CG2 3.67Å
412	E	97.5	Very high	96.6	Very high	114 Å²	114	34.6 Å²	34.6	53%	0.533	18%	0.175	S	C	.	.	H	α-helix	trans	-56.2	-42.9	178.1	-170.7	-167.7	-172.2	0	0	111.7	S408 K409 L414	S408-E412 WeakPolarHBondContact O-CB 3.44Å; S408-E412 PolarHBondContact O-N 3.09Å; K409-E412 VanDerWaalsContact CD-OE2 3.23Å; K409-E412 WeakPolarHBondContact CD-OE2 3.17Å; K409-E412 IonicContact NZ-OE2 2.69Å; K409-E412 PolarHBondContact NZ-OE2 2.97Å; K409-E412 WeakPolarHBondContact O-CB 3.33Å; K409-E412 PolarHBondContact O-N 2.67Å; E412-L414 PolarHBondContact O-N 3Å; E412-L414 VanDerWaalsContact O-N 3.14Å
413	I	97	Very high	96.7	Very high	34 Å²	34	34.7 Å²	34.7	17%	0.174	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	21.3	-178.2	69.9	161.3	0	0	0	113.9	I347 Q348 N351 K409 F410 I411 G415	I347-I413 HydrophobicContact CG2-CD1 3.64Å; I347-I413 HydrophobicContact CG2-CG1 4.3Å; I347-I413 WeakPolarHBondContact O-CD1 3.42Å; Q348-I413 HydrophobicContact CB-CD1 4.49Å; Q348-I413 HydrophobicContact CG-CD1 4.34Å; Q348-I413 HydrophobicContact CG-CG2 4.29Å; N351-I413 HydrophobicContact CB-CD1 3.49Å; N351-I413 VanDerWaalsContact CB-CD1 3.49Å; N351-I413 HydrophobicContact CB-CG1 4.43Å; N351-I413 PolarHBondContact ND2-O 2.94Å; K409-I413 HydrophobicContact CD-CG2 4.16Å; K409-I413 WeakPolarHBondContact O-CG1 3.4Å; K409-I413 PolarHBondContact O-N 3.04Å; F410-I413 WeakPolarHBondContact O-CG1 3.36Å; I411-I413 VanDerWaalsContact C-N 3.28Å; I411-I413 PolarHBondContact O-N 2.98Å; I413-G415 VanDerWaalsContact C-N 3.33Å; I413-G415 PolarHBondContact O-N 3.34Å
414	L	96.5	Very high	96.8	Very high	86 Å²	86	36.6 Å²	36.6	45%	0.45	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	28.7	-179.6	-50	175.4	0	0	0	114.3	I411 E412 L416 R417	I411-L414 PolarHBondContact O-N 3.44Å; I411-L414 VanDerWaalsContact O-N 3.16Å; E412-L414 PolarHBondContact O-N 3Å; E412-L414 VanDerWaalsContact O-N 3.14Å; L414-L416 PolarHBondContact O-N 3.31Å; L414-L416 VanDerWaalsContact O-N 3.14Å; L414-R417 HydrophobicContact CB-CG 4.37Å; L414-R417 WeakPolarHBondContact O-CB 3.33Å; L414-R417 PolarHBondContact O-N 3.29Å
415	G	97.7	Very high	96.4	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.7	174.3	0	0	0	0	0	113.7	F410 I413 R417 T418 I419	F410-G415 VanDerWaalsContact CZ-CA 3.5Å; F410-G415 WeakPolarHBondContact CZ-O 3.39Å; F410-G415 VanDerWaalsContact O-CA 3.25Å; F410-G415 WeakPolarHBondContact O-CA 3.21Å; F410-G415 PolarHBondContact O-N 2.83Å; I413-G415 VanDerWaalsContact C-N 3.33Å; I413-G415 PolarHBondContact O-N 3.34Å; G415-R417 PolarHBondContact O-N 3.04Å; G415-T418 WeakPolarHBondContact CA-OG1 3.46Å; G415-T418 PolarHBondContact O-N 3Å; G415-T418 PolarHBondContact O-OG1 2.93Å; G415-I419 WeakPolarHBondContact O-CG2 3.34Å; G415-I419 PolarHBondContact O-N 2.72Å
416	L	97.8	Very high	95.3	Very high	15 Å²	15	40.7 Å²	40.7	8%	0.079	20%	0.198	C	C	.	.	H	α-helix	trans	-64.1	-26	171.9	-58	-171.2	0	0	0	113.2	I411 L414 T418 I419 F420 L465 R477 V478 K481	I411-L416 HydrophobicContact CG1-CD2 4.03Å; I411-L416 HydrophobicContact CG1-CG 4.2Å; I411-L416 HydrophobicContact CG2-CD1 4.07Å; I411-L416 HydrophobicContact CG2-CG 4.28Å; L414-L416 PolarHBondContact O-N 3.31Å; L414-L416 VanDerWaalsContact O-N 3.14Å; L416-T418 VanDerWaalsContact C-N 3.27Å; L416-I419 HydrophobicContact CD2-CG2 4.38Å; L416-F420 HydrophobicContact CB-CD2 4.44Å; L416-F420 HydrophobicContact CD2-CD2 4.44Å; L416-F420 HydrophobicContact CD2-CE2 4.09Å; L416-L465 HydrophobicContact CD2-CD1 4Å; L416-R477 HydrophobicContact CD1-CB 4.03Å; L416-V478 HydrophobicContact CD1-CG2 4.36Å; L416-V478 HydrophobicContact CD2-CG2 4.25Å; L416-K481 HydrophobicContact CD1-CG 4.44Å
417	R	96	Very high	93.9	Very high	182 Å²	182	41.2 Å²	41.2	69%	0.687	20%	0.202	S	C	*	.	H	α-helix	trans	-79.8	-9.2	175.1	-63.9	-173.7	174.1	-179.8	-3	112.9	L414 G415 P421	L414-R417 HydrophobicContact CB-CG 4.37Å; L414-R417 WeakPolarHBondContact O-CB 3.33Å; L414-R417 PolarHBondContact O-N 3.29Å; G415-R417 PolarHBondContact O-N 3.04Å; R417-P421 WeakPolarHBondContact O-CG 3.33Å
418	T	95.5	Very high	92.2	Very high	13 Å²	13	52 Å²	52	8%	0.08	24%	0.243	C	C	.	.	H	α-helix	trans	-104.7	-46	176.8	56.3	0	0	0	0	111.3	N351 R355 G415 L416 P421 L422	N351-T418 WeakPolarHBondContact OD1-CB 3.44Å; N351-T418 WeakPolarHBondContact OD1-CG2 3.39Å; N351-T418 PolarHBondContact OD1-OG1 2.81Å; R355-T418 HydrophobicContact CG-CG2 3.37Å; G415-T418 WeakPolarHBondContact CA-OG1 3.46Å; G415-T418 PolarHBondContact O-N 3Å; G415-T418 PolarHBondContact O-OG1 2.93Å; L416-T418 VanDerWaalsContact C-N 3.27Å; T418-P421 WeakPolarHBondContact O-CD 3.41Å; T418-L422 WeakPolarHBondContact O-CG 3.32Å
419	I	96.6	Very high	90.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-71.5	-40.3	-174.8	-163.2	63.7	0	0	0	114	L365 F410 G415 L416 L422 F423 V458 I461 I462 L465	L365-I419 HydrophobicContact CD1-CD1 3.94Å; F410-I419 HydrophobicContact CE1-CB 4.24Å; F410-I419 HydrophobicContact CE1-CG2 4.18Å; F410-I419 HydrophobicContact CZ-CB 4.2Å; G415-I419 WeakPolarHBondContact O-CG2 3.34Å; G415-I419 PolarHBondContact O-N 2.72Å; L416-I419 HydrophobicContact CD2-CG2 4.38Å; I419-L422 HydrophobicContact CD1-CD1 4.47Å; I419-L422 WeakPolarHBondContact O-CB 3.4Å; I419-L422 PolarHBondContact O-N 2.92Å; I419-L422 VanDerWaalsContact O-N 3.13Å; I419-F423 PolarHBondContact O-N 3Å; I419-V458 HydrophobicContact CD1-CB 4.29Å; I419-V458 HydrophobicContact CD1-CG1 3.97Å; I419-V458 HydrophobicContact CD1-CG2 4.04Å; I419-V458 HydrophobicContact CG1-CG1 4.22Å; I419-I461 HydrophobicContact CD1-CB 4.17Å; I419-I461 HydrophobicContact CD1-CD1 4Å; I419-I461 HydrophobicContact CD1-CG2 3.94Å; I419-I461 HydrophobicContact CG1-CB 4.46Å; I419-I461 HydrophobicContact CG1-CG2 3.89Å; I419-I462 HydrophobicContact CG1-CG1 4.23Å; I419-L465 HydrophobicContact CG2-CD1 4.49Å
420	F	97.2	Very high	88.3	Confident	6 Å²	6	57 Å²	57	3%	0.026	26%	0.264	C	S	.	.	H	α-helix	trans	-69.5	-37.2	-177.6	-84.5	-85.2	0	0	0	113.7	L416 L422 F423 M424 V478 K481 F482 K489	L416-F420 HydrophobicContact CB-CD2 4.44Å; L416-F420 HydrophobicContact CD2-CD2 4.44Å; L416-F420 HydrophobicContact CD2-CE2 4.09Å; F420-L422 VanDerWaalsContact C-N 3.27Å; F420-L422 PolarHBondContact O-N 3.34Å; F420-F423 HydrophobicContact CD1-CD1 4.48Å; F420-F423 WeakPolarHBondContact O-CB 3.48Å; F420-F423 PolarHBondContact O-N 2.94Å; F420-M424 WeakPolarHBondContact O-CG 3.41Å; F420-M424 PolarHBondContact O-N 3.49Å; F420-V478 HydrophobicContact CZ-CG1 4.42Å; F420-K481 HydrophobicContact CD1-CB 4.03Å; F420-K481 HydrophobicContact CD2-CB 4.15Å; F420-K481 HydrophobicContact CD2-CD 4.42Å; F420-K481 HydrophobicContact CD2-CG 3.78Å; F420-K481 HydrophobicContact CE1-CB 3.62Å; F420-K481 HydrophobicContact CE1-CG 4.29Å; F420-K481 HydrophobicContact CE2-CB 3.77Å; F420-K481 HydrophobicContact CE2-CG 3.49Å; F420-K481 VanDerWaalsContact CE2-CG 3.49Å; F420-K481 HydrophobicContact CG-CB 4.27Å; F420-K481 HydrophobicContact CG-CG 4.31Å; F420-K481 HydrophobicContact CZ-CB 3.47Å; F420-K481 VanDerWaalsContact CZ-CB 3.47Å; F420-K481 HydrophobicContact CZ-CG 3.75Å; F420-F482 HydrophobicContact CE1-CE2 4.04Å; F420-F482 HydrophobicContact CE1-CZ 4.14Å; F420-F482 AromaticContact CZ-CE2 3.95Å; F420-F482 HydrophobicContact CZ-CE2 3.95Å; F420-F482 HydrophobicContact CZ-CZ 4.39Å; F420-K489 HydrophobicContact CD1-CD 4.22Å; F420-K489 HydrophobicContact CD1-CG 4.12Å
421	P	95	Very high	85.7	Confident	72 Å²	72	59.5 Å²	59.5	47%	0.468	29%	0.285	S	S	.	.	H	α-helix	trans	-57.7	-37.7	167.1	-29.8	37.5	0	0	0	113.6	R417 T418 M424 H425	R417-P421 WeakPolarHBondContact O-CG 3.33Å; T418-P421 WeakPolarHBondContact O-CD 3.41Å; P421-M424 PolarHBondContact O-N 3.3Å; P421-H425 PolarHBondContact O-N 2.92Å
422	L	93.9	Very high	83.2	Confident	21 Å²	21	63.6 Å²	63.6	11%	0.11	31%	0.307	C	S	.	.	H	α-helix	trans	-69	-33.5	175.8	-62.5	168.8	0	0	0	112.1	L354 L365 T418 I419 F420 H425 C426 P427 V458	L354-L422 HydrophobicContact CD1-CD1 4.19Å; L354-L422 HydrophobicContact CD2-CD1 4.23Å; L365-L422 HydrophobicContact CD1-CD1 4.25Å; T418-L422 WeakPolarHBondContact O-CG 3.32Å; I419-L422 HydrophobicContact CD1-CD1 4.47Å; I419-L422 WeakPolarHBondContact O-CB 3.4Å; I419-L422 PolarHBondContact O-N 2.92Å; I419-L422 VanDerWaalsContact O-N 3.13Å; F420-L422 VanDerWaalsContact C-N 3.27Å; F420-L422 PolarHBondContact O-N 3.34Å; L422-H425 CarbonylContact O-C 3.58Å; L422-C426 WeakPolarHBondContact O-CA 3.45Å; L422-C426 PolarHBondContact O-N 3.45Å; L422-C426 VanDerWaalsContact O-N 3.15Å; L422-P427 HydrophobicContact CD2-CG 3.46Å; L422-P427 VanDerWaalsContact CD2-CG 3.46Å; L422-V458 HydrophobicContact CB-CG2 3.86Å
423	F	96.1	Very high	80.1	Confident	6 Å²	6	68.2 Å²	68.2	3%	0.026	32%	0.319	C	S	.	.	H	α-helix	trans	-65.9	-41.7	174.3	-180	-110.3	0	0	0	112.8	I419 F420 V458 I462 K489 R492 L493 L496	I419-F423 PolarHBondContact O-N 3Å; F420-F423 HydrophobicContact CD1-CD1 4.48Å; F420-F423 WeakPolarHBondContact O-CB 3.48Å; F420-F423 PolarHBondContact O-N 2.94Å; F423-V458 HydrophobicContact CB-CG1 3.68Å; F423-V458 HydrophobicContact CD2-CG1 4.01Å; F423-V458 HydrophobicContact CG-CG1 4.35Å; F423-I462 HydrophobicContact CB-CD1 3.77Å; F423-I462 HydrophobicContact CD1-CD1 4.33Å; F423-I462 HydrophobicContact CD2-CD1 3.46Å; F423-I462 VanDerWaalsContact CD2-CD1 3.46Å; F423-I462 HydrophobicContact CE2-CD1 4.09Å; F423-I462 HydrophobicContact CG-CD1 3.59Å; F423-K489 HydrophobicContact CD1-CB 4.45Å; F423-K489 HydrophobicContact CE1-CB 4.15Å; F423-K489 WeakPolarHBondContact CE1-O 2.94Å; F423-R492 HydrophobicContact CD1-CG 4.08Å; F423-R492 HydrophobicContact CE1-CB 3.93Å; F423-R492 HydrophobicContact CE1-CG 3.75Å; F423-R492 HydrophobicContact CZ-CB 4.44Å; F423-R492 HydrophobicContact CZ-CG 4.05Å; F423-R492 WeakPolarHBondContact O-CG 3.26Å; F423-R492 PolarHBondContact O-NE 2.87Å; F423-R492 VanDerWaalsContact O-NE 3.12Å; F423-L493 HydrophobicContact CZ-CB 4.09Å; F423-L493 HydrophobicContact CZ-CD1 4.24Å; F423-L496 HydrophobicContact CD2-CD1 4.13Å; F423-L496 HydrophobicContact CE2-CD1 3.47Å; F423-L496 VanDerWaalsContact CE2-CD1 3.47Å; F423-L496 HydrophobicContact CZ-CD1 4.01Å
424	M	94.6	Very high	77.1	Confident	43 Å²	43	70 Å²	70	21%	0.212	34%	0.335	C	S	.	.	H	α-helix	trans	-72.2	-37.8	175.9	-64.3	-55.8	-66.8	0	0	112	F420 P421 E488 K489 R492	F420-M424 WeakPolarHBondContact O-CG 3.41Å; F420-M424 PolarHBondContact O-N 3.49Å; P421-M424 PolarHBondContact O-N 3.3Å; M424-E488 HydrophobicContact CE-CB 4.17Å; M424-E488 HydrophobicContact CE-CG 3.87Å; M424-E488 HydrophobicContact SD-CG 4.39Å; M424-K489 HydrophobicContact CG-CG 4.48Å; M424-K489 HydrophobicContact SD-CB 4.31Å; M424-K489 HydrophobicContact SD-CG 3.75Å; M424-R492 HydrophobicContact CE-CB 4.15Å; M424-R492 HydrophobicContact SD-CB 3.72Å; M424-R492 HydrophobicContact SD-CG 4.03Å
425	H	87.1	Confident	74	Confident	151 Å²	151	72.8 Å²	72.8	70%	0.699	36%	0.356	S	S	*	.	S	Bend	trans	-133.1	90.1	-177.2	-58	-41.4	0	0	0	109.6	P421 L422	P421-H425 PolarHBondContact O-N 2.92Å; L422-H425 CarbonylContact O-C 3.58Å
426	C	75.5	Confident	71	Confident	32 Å²	32	76.8 Å²	76.8	22%	0.216	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-54.7	132.4	174.8	-167.8	0	0	0	0	108.7	L422 R428 A451	L422-C426 WeakPolarHBondContact O-CA 3.45Å; L422-C426 PolarHBondContact O-N 3.45Å; L422-C426 VanDerWaalsContact O-N 3.15Å; C426-R428 PolarHBondContact O-N 3.08Å; C426-A451 PolarHBondContact SG-O 3.35Å
427	P	66.8	Low	67.9	Low	12 Å²	12	82 Å²	82	8%	0.078	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-52.6	134.6	177.6	-25	33	0	0	0	111.1	L422 M454	L422-P427 HydrophobicContact CD2-CG 3.46Å; L422-P427 VanDerWaalsContact CD2-CG 3.46Å; P427-M454 HydrophobicContact CB-CE 3.79Å; P427-M454 HydrophobicContact CB-SD 3.7Å; P427-M454 HydrophobicContact CG-CE 4.47Å; P427-M454 HydrophobicContact CG-SD 3.9Å; P427-M454 VanDerWaalsContact O-CE 3.28Å; P427-M454 WeakPolarHBondContact O-CE 3.16Å
428	R	62.9	Low	65.3	Low	226 Å²	226	77.6 Å²	77.6	85%	0.853	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-72.9	138.7	168.6	-67.8	-178.4	176.9	148.1	0.1	107.6	C426 H430	C426-R428 PolarHBondContact O-N 3.08Å; R428-H430 PolarHBondContact O-N 3.38Å
429	E	58.9	Low	62.4	Low	102 Å²	102	81.8 Å²	81.8	48%	0.477	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-47.6	129.7	170.5	-77.1	169.6	-168.1	0	0	109.9	A431 A451	E429-A431 VanDerWaalsContact C-N 3.26Å; E429-A431 PolarHBondContact O-N 2.67Å; E429-A451 HydrophobicContact CG-CB 4.17Å; E429-A451 PolarHBondContact OE1-N 2.67Å
430	H	54	Low	59.5	Low	77 Å²	77	91.3 Å²	91.3	36%	0.356	50%	0.504	S	S	.	.			trans	-67.8	89.1	169.9	-78.9	-91.4	0	0	0	108.5	R361 D362 R428 L432 I446	R361-H430 PolarHBondContact NH2-CD2 3.06Å; R361-H430 VanDerWaalsContact NH2-CD2 3.3Å; R361-H430 PolarHBondContact NH2-NE2 3.45Å; D362-H430 IonicContact OD2-CD2 3.03Å; R428-H430 PolarHBondContact O-N 3.38Å; H430-L432 PolarHBondContact O-N 3.1Å; H430-L432 VanDerWaalsContact O-N 3.12Å; H430-I446 WeakPolarHBondContact O-CD1 3.38Å
431	A	45.7	Very low	56.3	Low	53 Å²	53	96.4 Å²	96.4	44%	0.438	54%	0.535	S	S	.	.			trans	-71.9	103.7	168.4	0	0	0	0	0	108.6	E429 R433 V443	E429-A431 VanDerWaalsContact C-N 3.26Å; E429-A431 PolarHBondContact O-N 2.67Å; A431-R433 PolarHBondContact O-N 3.08Å; A431-V443 HydrophobicContact CB-CG1 4.23Å
432	L	44.3	Very low	53.3	Low	91 Å²	91	101.9 Å²	101.9	48%	0.476	55%	0.552	S	S	.	*			trans	-63	101.5	164.9	-121.7	126.7	0	0	0	107.4	I318 M359 H430 S434 I446	I318-L432 HydrophobicContact CD1-CD1 4.3Å; M359-L432 HydrophobicContact CE-CD1 4.13Å; H430-L432 PolarHBondContact O-N 3.1Å; H430-L432 VanDerWaalsContact O-N 3.12Å; L432-S434 PolarHBondContact O-N 3.43Å; L432-S434 VanDerWaalsContact O-N 3.13Å; L432-I446 HydrophobicContact CB-CD1 4.09Å; L432-I446 HydrophobicContact CB-CG1 4.48Å; L432-I446 HydrophobicContact CD1-CD1 3.33Å; L432-I446 HydrophobicContact CD1-CG1 4.11Å; L432-I446 HydrophobicContact CG-CD1 4.28Å
433	R	33.2	Very low	50.7	Low	210 Å²	210	104.7 Å²	104.7	79%	0.792	57%	0.569	S	S	*	*			trans	-75.4	97.3	172.1	-65.9	-176.3	-179.3	-152.3	-0.5	106.9	A431 T435	A431-R433 PolarHBondContact O-N 3.08Å; R433-T435 PolarHBondContact O-N 3.22Å; R433-T435 VanDerWaalsContact O-N 3.1Å
434	S	34.1	Very low	48.1	Very low	72 Å²	72	112.9 Å²	112.9	50%	0.503	61%	0.605	S	S	.	*			trans	-65.7	115.5	168.2	81.7	0	0	0	0	108.2	L432 S436	L432-S434 PolarHBondContact O-N 3.43Å; L432-S434 VanDerWaalsContact O-N 3.13Å; S434-S436 PolarHBondContact O-N 2.81Å; S434-S436 VanDerWaalsContact O-N 3.08Å
435	T	30.7	Very low	45.9	Very low	145 Å²	145	116 Å²	116	89%	0.89	63%	0.627	S	S	*	*			trans	-81.3	70.3	168.4	53.8	0	0	0	0	108.2	R433	R433-T435 PolarHBondContact O-N 3.22Å; R433-T435 VanDerWaalsContact O-N 3.1Å
436	S	35.2	Very low	44.2	Very low	83 Å²	83	110.2 Å²	110.2	58%	0.58	60%	0.6	S	S	*	*			trans	-102.5	113.1	161.1	53.1	0	0	0	0	107.7	S434 G438	S434-S436 PolarHBondContact O-N 2.81Å; S434-S436 VanDerWaalsContact O-N 3.08Å; S436-G438 PolarHBondContact O-N 3Å
437	S	33.3	Very low	43.6	Very low	125 Å²	125	112.8 Å²	112.8	87%	0.874	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.8	126	-176.7	59.1	0	0	0	0	113.1
438	G	40.2	Very low	43.6	Very low	89 Å²	89	113.9 Å²	113.9	92%	0.918	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	93.5	9.3	148.6	0	0	0	0	0	119.5	S436	S436-G438 PolarHBondContact O-N 3Å
439	S	35.1	Very low	44.1	Very low	102 Å²	102	103.7 Å²	103.7	71%	0.713	60%	0.595	S	S	*	*	S	Bend	trans	-140.5	137.9	177	174.8	0	0	0	0	111.1	T441	S439-T441 PolarHBondContact O-N 3.15Å
440	K	35.1	Very low	45.2	Very low	200 Å²	200	101.3 Å²	101.3	87%	0.87	59%	0.588	S	S	*	*			trans	-36.4	120	-171.7	-65.9	175.3	-179.7	175.6	0	112.8	K442	K440-K442 PolarHBondContact O-N 3.21Å
441	T	30.4	Very low	46.6	Very low	112 Å²	112	99.2 Å²	99.2	69%	0.687	58%	0.584	S	S	*	*			trans	-54.9	93.9	-176.9	-22.7	0	0	0	0	111.5	S439 V443	S439-T441 PolarHBondContact O-N 3.15Å; T441-V443 PolarHBondContact O-N 3.3Å
442	K	32.9	Very low	48.5	Very low	187 Å²	187	99 Å²	99	81%	0.813	58%	0.582	S	S	*	*			trans	-78.6	101.9	161.2	-79.1	-170.8	176.5	-175.7	0	106.7	K440 K444	K440-K442 PolarHBondContact O-N 3.21Å; K442-K444 PolarHBondContact O-N 3.41Å
443	V	37.6	Very low	50.6	Low	80 Å²	80	98.8 Å²	98.8	49%	0.485	58%	0.579	S	S	.	*			trans	-60.6	105.1	161.3	179.1	0	0	0	0	105.3	A431 T441 V445	A431-V443 HydrophobicContact CB-CG1 4.23Å; T441-V443 PolarHBondContact O-N 3.3Å; V443-V445 PolarHBondContact O-N 3.47Å
444	K	42.3	Very low	53.4	Low	179 Å²	179	88.8 Å²	88.8	78%	0.778	54%	0.541	S	S	*	.			trans	-71.7	111.3	161.8	-80.5	-169	174	-171.3	0	105.1	K442 I446	K442-K444 PolarHBondContact O-N 3.41Å; K444-I446 PolarHBondContact O-N 2.92Å
445	V	47.7	Very low	56.1	Low	109 Å²	109	86 Å²	86	66%	0.661	52%	0.52	S	S	*	.			trans	-57.7	120	169.4	178.7	0	0	0	0	105.9	V443	V443-V445 PolarHBondContact O-N 3.47Å
446	I	52.4	Low	59	Low	29 Å²	29	82.1 Å²	82.1	15%	0.149	49%	0.492	C	S	.	.			trans	-67.3	133.6	173	-58	167.7	0	0	0	105.9	I318 M359 H430 L432 K444 G448	I318-I446 HydrophobicContact CG2-CG2 3.75Å; M359-I446 HydrophobicContact CE-CD1 3.71Å; M359-I446 HydrophobicContact CE-CG2 4.35Å; H430-I446 WeakPolarHBondContact O-CD1 3.38Å; L432-I446 HydrophobicContact CB-CD1 4.09Å; L432-I446 HydrophobicContact CB-CG1 4.48Å; L432-I446 HydrophobicContact CD1-CD1 3.33Å; L432-I446 HydrophobicContact CD1-CG1 4.11Å; L432-I446 HydrophobicContact CG-CD1 4.28Å; K444-I446 PolarHBondContact O-N 2.92Å; I446-G448 PolarHBondContact O-N 3.47Å
447	S	63	Low	61.8	Low	85 Å²	85	79.2 Å²	79.2	59%	0.594	47%	0.469	S	S	*	.	S	Bend	trans	-53.7	115.2	170.7	-172	0	0	0	0	108.1	L322	L322-S447 WeakPolarHBondContact CD1-O 3.43Å; L322-S447 WeakPolarHBondContact CD2-O 3.21Å
448	G	66.2	Low	64.8	Low	36 Å²	36	73.3 Å²	73.3	37%	0.371	43%	0.428	S	S	.	.	S	Bend	trans	167.2	167.2	-172	0	0	0	0	0	111.1	I446 T450	I446-G448 PolarHBondContact O-N 3.47Å; G448-T450 PolarHBondContact O-N 3.11Å
449	P	72.8	Confident	67.4	Low	11 Å²	11	69.1 Å²	69.1	7%	0.071	38%	0.384	C	S	.	.			trans	-61.5	129	-177.6	-22.1	33.9	0	0	0	111.7	R366 E453 M454	R366-P449 HydrophobicContact CB-CG 4.42Å; P449-E453 WeakPolarHBondContact CA-OE2 3.45Å; P449-E453 HydrophobicContact CB-CB 4.22Å; P449-M454 HydrophobicContact CB-CG 3.99Å
450	T	82.7	Confident	70.2	Confident	52 Å²	52	64.8 Å²	64.8	32%	0.319	35%	0.353	S	S	.	.			trans	-65.1	163.7	172	61.5	0	0	0	0	111.4	G448 A452 E453 M454	G448-T450 PolarHBondContact O-N 3.11Å; T450-A452 PolarHBondContact O-N 3.27Å; T450-E453 WeakPolarHBondContact CB-OE2 3.4Å; T450-E453 WeakPolarHBondContact CG2-OE2 3.26Å; T450-E453 PolarHBondContact N-OE2 3.29Å; T450-E453 PolarHBondContact O-N 3.11Å; T450-E453 VanDerWaalsContact OG1-CG 3.32Å; T450-E453 WeakPolarHBondContact OG1-CG 3.42Å; T450-E453 PolarHBondContact OG1-N 3.14Å; T450-E453 PolarHBondContact OG1-OE2 2.95Å; T450-M454 WeakPolarHBondContact O-CG 3.43Å; T450-M454 PolarHBondContact O-N 3.28Å
451	A	83.8	Confident	73.2	Confident	34 Å²	34	55.2 Å²	55.2	28%	0.281	31%	0.312	S	S	.	.	H	α-helix	trans	-58.7	-29.8	174.3	0	0	0	0	0	113.5	C426 E429 M454 E455	C426-A451 PolarHBondContact SG-O 3.35Å; E429-A451 HydrophobicContact CG-CB 4.17Å; E429-A451 PolarHBondContact OE1-N 2.67Å; A451-M454 HydrophobicContact CB-CE 4.33Å; A451-E455 PolarHBondContact O-N 3.2Å
452	A	86.3	Confident	76.3	Confident	49 Å²	49	49.9 Å²	49.9	41%	0.405	28%	0.279	S	S	.	.	H	α-helix	trans	-71.2	-48.7	175.4	0	0	0	0	0	111.2	T450 M454 E455 E456	T450-A452 PolarHBondContact O-N 3.27Å; A452-M454 VanDerWaalsContact C-N 3.29Å; A452-M454 PolarHBondContact O-N 3.18Å; A452-E455 WeakPolarHBondContact O-CB 3.48Å; A452-E455 PolarHBondContact O-N 3.04Å; A452-E455 VanDerWaalsContact O-N 3.08Å; A452-E456 WeakPolarHBondContact O-CG 3.28Å; A452-E456 PolarHBondContact O-N 2.83Å
453	E	88.6	Confident	79.4	Confident	86 Å²	86	42 Å²	42	40%	0.402	25%	0.247	S	C	.	.	H	α-helix	trans	-60.3	-39.7	177.1	-71.7	165	135.4	0	0	111.6	P449 T450 E455 E456 H457	P449-E453 WeakPolarHBondContact CA-OE2 3.45Å; P449-E453 HydrophobicContact CB-CB 4.22Å; T450-E453 WeakPolarHBondContact CB-OE2 3.4Å; T450-E453 WeakPolarHBondContact CG2-OE2 3.26Å; T450-E453 PolarHBondContact N-OE2 3.29Å; T450-E453 PolarHBondContact O-N 3.11Å; T450-E453 VanDerWaalsContact OG1-CG 3.32Å; T450-E453 WeakPolarHBondContact OG1-CG 3.42Å; T450-E453 PolarHBondContact OG1-N 3.14Å; T450-E453 PolarHBondContact OG1-OE2 2.95Å; E453-E455 PolarHBondContact O-N 2.93Å; E453-E456 PolarHBondContact O-N 3.42Å; E453-H457 PolarHBondContact O-CD2 3.34Å; E453-H457 VanDerWaalsContact O-CG 3.22Å; E453-H457 PolarHBondContact O-N 3.26Å
454	M	90.1	Very high	82.1	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-42.3	173.8	-70.9	-169	-72.4	0	0	112.5	D362 L365 P427 P449 T450 A451 A452 E456 H457 V458	D362-M454 HydrophobicContact CB-SD 3.67Å; D362-M454 VanDerWaalsContact OD1-SD 3.38Å; L365-M454 HydrophobicContact CD2-CB 4.04Å; L365-M454 HydrophobicContact CD2-CG 4.24Å; P427-M454 HydrophobicContact CB-CE 3.79Å; P427-M454 HydrophobicContact CB-SD 3.7Å; P427-M454 HydrophobicContact CG-CE 4.47Å; P427-M454 HydrophobicContact CG-SD 3.9Å; P427-M454 VanDerWaalsContact O-CE 3.28Å; P427-M454 WeakPolarHBondContact O-CE 3.16Å; P449-M454 HydrophobicContact CB-CG 3.99Å; T450-M454 WeakPolarHBondContact O-CG 3.43Å; T450-M454 PolarHBondContact O-N 3.28Å; A451-M454 HydrophobicContact CB-CE 4.33Å; A452-M454 VanDerWaalsContact C-N 3.29Å; A452-M454 PolarHBondContact O-N 3.18Å; M454-E456 VanDerWaalsContact C-N 3.31Å; M454-E456 PolarHBondContact O-N 2.94Å; M454-H457 PolarHBondContact O-N 2.73Å; M454-V458 WeakPolarHBondContact O-CG2 3.49Å; M454-V458 PolarHBondContact O-N 3.45Å
455	E	91.8	Very high	84.7	Confident	14 Å²	14	29.9 Å²	29.9	7%	0.065	19%	0.189	C	C	.	.	H	α-helix	trans	-62.3	-42.3	176.7	-166.2	172.1	80.2	0	0	110.8	A451 A452 E453 V458 I459 R492 L496 K499 Y500	A451-E455 PolarHBondContact O-N 3.2Å; A452-E455 WeakPolarHBondContact O-CB 3.48Å; A452-E455 PolarHBondContact O-N 3.04Å; A452-E455 VanDerWaalsContact O-N 3.08Å; E453-E455 PolarHBondContact O-N 2.93Å; E455-V458 PolarHBondContact O-N 3.42Å; E455-I459 HydrophobicContact CG-CD1 4.17Å; E455-I459 WeakPolarHBondContact O-CD1 3.46Å; E455-I459 VanDerWaalsContact O-CG1 3.25Å; E455-I459 WeakPolarHBondContact O-CG1 3.31Å; E455-I459 PolarHBondContact O-N 3.36Å; E455-R492 IonicContact OE2-NH2 3.32Å; E455-R492 PolarHBondContact OE2-NH2 2.9Å; E455-L496 HydrophobicContact CG-CD2 4.07Å; E455-L496 WeakPolarHBondContact OE1-CD2 3.41Å; E455-L496 WeakPolarHBondContact OE2-CD2 3.1Å; E455-K499 IonicContact OE1-NZ 2.64Å; E455-K499 PolarHBondContact OE1-NZ 3.49Å; E455-K499 IonicContact OE2-NZ 3.66Å; E455-K499 PolarHBondContact OE2-NZ 3.09Å; E455-Y500 WeakPolarHBondContact OE1-CE2 3.4Å
456	E	92.3	Very high	87	Confident	63 Å²	63	24.7 Å²	24.7	29%	0.294	16%	0.157	S	C	.	.	H	α-helix	trans	-62.5	-47.6	175.1	-65.7	-175.5	-165.3	0	0	111.9	A452 E453 M454 V458 I459 N460 Y500 P544	A452-E456 WeakPolarHBondContact O-CG 3.28Å; A452-E456 PolarHBondContact O-N 2.83Å; E453-E456 PolarHBondContact O-N 3.42Å; M454-E456 VanDerWaalsContact C-N 3.31Å; M454-E456 PolarHBondContact O-N 2.94Å; E456-V458 VanDerWaalsContact C-N 3.26Å; E456-V458 PolarHBondContact O-N 3.39Å; E456-I459 PolarHBondContact O-N 3.07Å; E456-I459 VanDerWaalsContact O-N 3.16Å; E456-N460 WeakPolarHBondContact O-CB 3.47Å; E456-N460 PolarHBondContact O-N 3.35Å; E456-N460 PolarHBondContact O-ND2 3.19Å; E456-Y500 WeakPolarHBondContact CG-OH 3.46Å; E456-P544 HydrophobicContact CG-CB 4.05Å; E456-P544 HydrophobicContact CG-CG 4.15Å
457	H	93.5	Very high	89	Confident	21 Å²	21	25.5 Å²	25.5	10%	0.097	16%	0.159	C	C	.	.	H	α-helix	trans	-55.8	-41.7	175.8	-67.3	-43.3	0	0	0	111.8	L365 R366 D369 E453 M454 N460 I461	L365-H457 HydrophobicContact CD2-CB 4.13Å; L365-H457 HydrophobicContact CG-CB 3.88Å; R366-H457 WeakPolarHBondContact CG-NE2 3.19Å; D369-H457 HydrophobicContact CB-CB 4.21Å; D369-H457 IonicContact OD2-CE1 3.96Å; D369-H457 IonicContact OD2-CG 3.12Å; D369-H457 IonicContact OD2-ND1 3.14Å; D369-H457 PolarHBondContact OD2-ND1 2.72Å; E453-H457 PolarHBondContact O-CD2 3.34Å; E453-H457 VanDerWaalsContact O-CG 3.22Å; E453-H457 PolarHBondContact O-N 3.26Å; M454-H457 PolarHBondContact O-N 2.73Å; H457-N460 PolarHBondContact O-N 3.22Å; H457-I461 WeakPolarHBondContact O-CB 2.99Å; H457-I461 WeakPolarHBondContact O-CD1 3.44Å; H457-I461 WeakPolarHBondContact O-CG1 3.29Å; H457-I461 PolarHBondContact O-N 3.41Å
458	V	95.3	Very high	90.4	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.012	13%	0.132	C	C	.	.	H	α-helix	trans	-64.2	-47.7	176.5	175.5	0	0	0	0	111.7	L365 I419 L422 F423 M454 E455 E456 N460 I461 I462	L365-V458 HydrophobicContact CD1-CG2 4.09Å; L365-V458 HydrophobicContact CD2-CG2 3.91Å; I419-V458 HydrophobicContact CD1-CB 4.29Å; I419-V458 HydrophobicContact CD1-CG1 3.97Å; I419-V458 HydrophobicContact CD1-CG2 4.04Å; I419-V458 HydrophobicContact CG1-CG1 4.22Å; L422-V458 HydrophobicContact CB-CG2 3.86Å; F423-V458 HydrophobicContact CB-CG1 3.68Å; F423-V458 HydrophobicContact CD2-CG1 4.01Å; F423-V458 HydrophobicContact CG-CG1 4.35Å; M454-V458 WeakPolarHBondContact O-CG2 3.49Å; M454-V458 PolarHBondContact O-N 3.45Å; E455-V458 PolarHBondContact O-N 3.42Å; E456-V458 VanDerWaalsContact C-N 3.26Å; E456-V458 PolarHBondContact O-N 3.39Å; V458-N460 VanDerWaalsContact C-N 3.27Å; V458-N460 PolarHBondContact O-N 2.94Å; V458-I461 PolarHBondContact O-N 3.5Å; V458-I462 HydrophobicContact CG1-CD1 3.9Å; V458-I462 WeakPolarHBondContact O-CG1 3.26Å; V458-I462 PolarHBondContact O-N 3.4Å
459	I	95.4	Very high	91.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-56.5	-45.9	177.6	-70.1	164	0	0	0	110	E455 E456 I462 S463 L496 Y500 P544 V547 L548 I551	E455-I459 HydrophobicContact CG-CD1 4.17Å; E455-I459 WeakPolarHBondContact O-CD1 3.46Å; E455-I459 VanDerWaalsContact O-CG1 3.25Å; E455-I459 WeakPolarHBondContact O-CG1 3.31Å; E455-I459 PolarHBondContact O-N 3.36Å; E456-I459 PolarHBondContact O-N 3.07Å; E456-I459 VanDerWaalsContact O-N 3.16Å; I459-I462 PolarHBondContact O-N 3.06Å; I459-S463 PolarHBondContact O-N 3.15Å; I459-L496 HydrophobicContact CD1-CD1 4.38Å; I459-L496 HydrophobicContact CG1-CD1 4.43Å; I459-Y500 HydrophobicContact CD1-CE2 3.99Å; I459-P544 HydrophobicContact CD1-CB 4.44Å; I459-V547 HydrophobicContact CG2-CB 3.99Å; I459-V547 HydrophobicContact CG2-CG1 3.59Å; I459-L548 HydrophobicContact CD1-CD1 4Å; I459-L548 HydrophobicContact CD1-CD2 3.92Å; I459-L548 HydrophobicContact CD1-CG 4Å; I459-L548 HydrophobicContact CG1-CD2 3.9Å; I459-L548 HydrophobicContact CG1-CG 4.35Å; I459-L548 HydrophobicContact CG2-CD2 4.1Å; I459-L548 HydrophobicContact CG2-CG 3.98Å; I459-I551 HydrophobicContact CG2-CD1 4.08Å
460	N	94.8	Very high	92.9	Very high	11 Å²	11	21.6 Å²	21.6	6%	0.059	12%	0.124	C	C	.	.	H	α-helix	trans	-64.6	-45.3	-179.1	-67.7	-36.9	0	0	0	112.3	R18 D369 E456 H457 V458 I462 S463 A464	R18-N460 VanDerWaalsContact CZ-CG 3.42Å; R18-N460 PolarHBondContact NH1-ND2 3.27Å; R18-N460 PolarHBondContact NH1-OD1 2.88Å; R18-N460 VanDerWaalsContact NH1-OD1 3.12Å; R18-N460 PolarHBondContact NH2-ND2 3.02Å; D369-N460 WeakPolarHBondContact OD1-CB 3.47Å; D369-N460 PolarHBondContact OD2-ND2 3.45Å; E456-N460 WeakPolarHBondContact O-CB 3.47Å; E456-N460 PolarHBondContact O-N 3.35Å; E456-N460 PolarHBondContact O-ND2 3.19Å; H457-N460 PolarHBondContact O-N 3.22Å; V458-N460 VanDerWaalsContact C-N 3.27Å; V458-N460 PolarHBondContact O-N 2.94Å; N460-I462 VanDerWaalsContact C-N 3.34Å; N460-I462 PolarHBondContact O-N 3.1Å; N460-S463 WeakPolarHBondContact O-CB 3.27Å; N460-S463 PolarHBondContact O-N 3.41Å; N460-A464 WeakPolarHBondContact O-CB 3.47Å; N460-A464 PolarHBondContact O-N 2.93Å
461	I	96.5	Very high	93.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.4	-44.8	175.7	-70.4	163.7	0	0	0	110.5	L365 L368 D369 L372 F410 I419 H457 V458 S463 A464 L465	L365-I461 HydrophobicContact CD1-CD1 3.58Å; L368-I461 HydrophobicContact CB-CD1 3.8Å; D369-I461 HydrophobicContact CB-CD1 4.45Å; D369-I461 HydrophobicContact CB-CG1 4.26Å; L372-I461 HydrophobicContact CD1-CG1 4.4Å; L372-I461 HydrophobicContact CD1-CG2 3.81Å; F410-I461 HydrophobicContact CE1-CG2 4.5Å; I419-I461 HydrophobicContact CD1-CB 4.17Å; I419-I461 HydrophobicContact CD1-CD1 4Å; I419-I461 HydrophobicContact CD1-CG2 3.94Å; I419-I461 HydrophobicContact CG1-CB 4.46Å; I419-I461 HydrophobicContact CG1-CG2 3.89Å; H457-I461 WeakPolarHBondContact O-CB 2.99Å; H457-I461 WeakPolarHBondContact O-CD1 3.44Å; H457-I461 WeakPolarHBondContact O-CG1 3.29Å; H457-I461 PolarHBondContact O-N 3.41Å; V458-I461 PolarHBondContact O-N 3.5Å; I461-S463 PolarHBondContact O-N 2.51Å; I461-A464 PolarHBondContact O-N 3.18Å; I461-L465 HydrophobicContact CG2-CD1 3.94Å; I461-L465 HydrophobicContact CG2-CG 4.28Å; I461-L465 VanDerWaalsContact O-CG 3.23Å; I461-L465 WeakPolarHBondContact O-CG 3.28Å; I461-L465 PolarHBondContact O-N 3.08Å
462	I	97.3	Very high	93.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.4	-43.9	178.6	-70.1	171.4	0	0	0	111.1	I419 F423 V458 I459 N460 A464 L465 L466 F482 I551	I419-I462 HydrophobicContact CG1-CG1 4.23Å; F423-I462 HydrophobicContact CB-CD1 3.77Å; F423-I462 HydrophobicContact CD1-CD1 4.33Å; F423-I462 HydrophobicContact CD2-CD1 3.46Å; F423-I462 VanDerWaalsContact CD2-CD1 3.46Å; F423-I462 HydrophobicContact CE2-CD1 4.09Å; F423-I462 HydrophobicContact CG-CD1 3.59Å; V458-I462 HydrophobicContact CG1-CD1 3.9Å; V458-I462 WeakPolarHBondContact O-CG1 3.26Å; V458-I462 PolarHBondContact O-N 3.4Å; I459-I462 PolarHBondContact O-N 3.06Å; N460-I462 VanDerWaalsContact C-N 3.34Å; N460-I462 PolarHBondContact O-N 3.1Å; I462-A464 PolarHBondContact O-N 2.84Å; I462-L465 PolarHBondContact O-N 3.34Å; I462-L466 HydrophobicContact CG2-CD1 4.13Å; I462-L466 WeakPolarHBondContact O-CG 3.24Å; I462-L466 PolarHBondContact O-N 2.8Å; I462-F482 HydrophobicContact CG2-CE2 4.49Å; I462-F482 HydrophobicContact CG2-CZ 4.07Å; I462-I551 HydrophobicContact CB-CD1 4.43Å; I462-I551 HydrophobicContact CG2-CD1 4.11Å; I462-I551 HydrophobicContact CG2-CG2 4.49Å
463	S	95.9	Very high	94	Very high	21 Å²	21	31.1 Å²	31.1	15%	0.147	16%	0.163	C	C	.	.	H	α-helix	trans	-58.9	-46.7	174.8	-176.4	0	0	0	0	111.7	I459 N460 I461 L465 L466 R467 V547	I459-S463 PolarHBondContact O-N 3.15Å; N460-S463 WeakPolarHBondContact O-CB 3.27Å; N460-S463 PolarHBondContact O-N 3.41Å; I461-S463 PolarHBondContact O-N 2.51Å; S463-L465 VanDerWaalsContact C-N 3.34Å; S463-L465 PolarHBondContact O-N 3.42Å; S463-L466 PolarHBondContact O-N 3.25Å; S463-R467 WeakPolarHBondContact O-CB 3.43Å; S463-R467 PolarHBondContact O-N 2.97Å; S463-V547 VanDerWaalsContact CB-CG1 3.45Å
464	A	95.4	Very high	94.3	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.033	15%	0.152	C	C	.	.	H	α-helix	trans	-61.7	-40.1	177	0	0	0	0	0	112.7	L372 N460 I461 I462 R467 H468	L372-A464 HydrophobicContact CB-CB 4.36Å; L372-A464 VanDerWaalsContact O-CB 3.31Å; L372-A464 WeakPolarHBondContact O-CB 3.45Å; N460-A464 WeakPolarHBondContact O-CB 3.47Å; N460-A464 PolarHBondContact O-N 2.93Å; I461-A464 PolarHBondContact O-N 3.18Å; I462-A464 PolarHBondContact O-N 2.84Å; A464-R467 PolarHBondContact O-N 3.08Å; A464-H468 WeakPolarHBondContact O-CB 3.43Å; A464-H468 PolarHBondContact O-N 3.18Å
465	L	97.6	Very high	94.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.6	-40.3	175.5	-67.5	172.7	0	0	0	111.6	C407 F410 I411 L416 I419 I461 I462 S463 R467 S469 V478	C407-L465 HydrophobicContact CB-CD2 3.99Å; F410-L465 HydrophobicContact CD1-CD1 4.03Å; F410-L465 HydrophobicContact CD1-CD2 3.97Å; F410-L465 HydrophobicContact CE1-CD1 4Å; I411-L465 HydrophobicContact CD1-CD2 4.04Å; I411-L465 HydrophobicContact CG1-CD2 4.05Å; L416-L465 HydrophobicContact CD2-CD1 4Å; I419-L465 HydrophobicContact CG2-CD1 4.49Å; I461-L465 HydrophobicContact CG2-CD1 3.94Å; I461-L465 HydrophobicContact CG2-CG 4.28Å; I461-L465 VanDerWaalsContact O-CG 3.23Å; I461-L465 WeakPolarHBondContact O-CG 3.28Å; I461-L465 PolarHBondContact O-N 3.08Å; I462-L465 PolarHBondContact O-N 3.34Å; S463-L465 VanDerWaalsContact C-N 3.34Å; S463-L465 PolarHBondContact O-N 3.42Å; L465-R467 VanDerWaalsContact C-N 3.33Å; L465-S469 WeakPolarHBondContact O-CB 3.4Å; L465-S469 PolarHBondContact O-N 3.15Å; L465-S469 VanDerWaalsContact O-N 3.15Å; L465-S469 PolarHBondContact O-OG 2.9Å; L465-V478 HydrophobicContact CB-CG1 4.39Å; L465-V478 HydrophobicContact CB-CG2 4.24Å
466	L	96.2	Very high	94.9	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-67	-35.3	176	-74	167.7	0	0	0	112.6	I462 S463 K475 V478 L479 F482 I551 V555	I462-L466 HydrophobicContact CG2-CD1 4.13Å; I462-L466 WeakPolarHBondContact O-CG 3.24Å; I462-L466 PolarHBondContact O-N 2.8Å; S463-L466 PolarHBondContact O-N 3.25Å; L466-K475 WeakPolarHBondContact O-CE 3.37Å; L466-K475 PolarHBondContact O-NZ 2.89Å; L466-V478 HydrophobicContact CD2-CB 4.31Å; L466-V478 HydrophobicContact CD2-CG1 3.68Å; L466-V478 HydrophobicContact CG-CG1 3.97Å; L466-L479 HydrophobicContact CD2-CD2 3.77Å; L466-L479 HydrophobicContact CD2-CG 4.28Å; L466-F482 HydrophobicContact CD1-CE2 4.47Å; L466-I551 HydrophobicContact CD1-CB 4.33Å; L466-I551 HydrophobicContact CD1-CG1 4.17Å; L466-I551 HydrophobicContact CD1-CG2 3.76Å; L466-V555 HydrophobicContact CD1-CG1 3.83Å; L466-V555 HydrophobicContact CD2-CG1 4.19Å
467	R	93.1	Very high	95.1	Very high	46 Å²	46	36.1 Å²	36.1	17%	0.174	19%	0.185	C	C	.	.	H	α-helix	trans	-77.1	-49.7	-178.7	-179.7	176.3	170.4	179.3	-2.1	113.1	S463 A464 L465 E604	S463-R467 WeakPolarHBondContact O-CB 3.43Å; S463-R467 PolarHBondContact O-N 2.97Å; A464-R467 PolarHBondContact O-N 3.08Å; L465-R467 VanDerWaalsContact C-N 3.33Å; R467-E604 IonicContact CZ-OE1 3.92Å; R467-E604 IonicContact CZ-OE2 2.78Å; R467-E604 IonicContact NE-OE2 3.65Å; R467-E604 PolarHBondContact NE-OE2 2.93Å; R467-E604 IonicContact NH1-OE1 3.36Å; R467-E604 PolarHBondContact NH1-OE1 3.08Å; R467-E604 IonicContact NH1-OE2 2.81Å; R467-E604 PolarHBondContact NH1-OE2 3.31Å; R467-E604 IonicContact NH2-OE2 2.76Å; R467-E604 PolarHBondContact NH2-OE2 3.22Å
468	H	93.7	Very high	95.4	Very high	7 Å²	7	35.1 Å²	35.1	3%	0.032	18%	0.181	C	C	.	.	H	α-helix	trans	-105.8	-1.2	-167	-60.2	-67.4	0	0	0	114	P374 E400 V403 I404 A464	P374-H468 WeakPolarHBondContact CD-NE2 3.48Å; E400-H468 IonicContact OE1-CE1 3.2Å; E400-H468 IonicContact OE1-ND1 3.66Å; V403-H468 HydrophobicContact CG1-CB 3.97Å; V403-H468 VanDerWaalsContact CG1-CD2 3.5Å; V403-H468 WeakPolarHBondContact CG1-CD2 3.47Å; I404-H468 HydrophobicContact CG1-CB 4.09Å; I404-H468 WeakPolarHBondContact CG1-O 3.44Å; A464-H468 WeakPolarHBondContact O-CB 3.43Å; A464-H468 PolarHBondContact O-N 3.18Å
469	S	95.5	Very high	95.5	Very high	5 Å²	5	35.8 Å²	35.8	4%	0.035	18%	0.184	C	C	.	.	S	Bend	trans	-73.1	134.2	171.4	-64.2	0	0	0	0	110.8	I411 L465	I411-S469 WeakPolarHBondContact CD1-OG 3.26Å; L465-S469 WeakPolarHBondContact O-CB 3.4Å; L465-S469 PolarHBondContact O-N 3.15Å; L465-S469 VanDerWaalsContact O-N 3.15Å; L465-S469 PolarHBondContact O-OG 2.9Å
470	P	94.3	Very high	95.6	Very high	37 Å²	37	38.2 Å²	38.2	24%	0.24	20%	0.204	C	C	.	.			trans	-54.3	132.1	174.9	-27.2	33.1	0	0	0	112.4	I404 S408 E472 T473 F474 K475	I404-P470 HydrophobicContact CG2-CG 4.13Å; S408-P470 WeakPolarHBondContact OG-CD 3.43Å; P470-E472 PolarHBondContact O-N 3.42Å; P470-T473 PolarHBondContact O-N 3.43Å; P470-F474 HydrophobicContact CG-CD2 4.26Å; P470-F474 PolarHBondContact O-N 3.2Å; P470-F474 VanDerWaalsContact O-N 3.17Å; P470-K475 PolarHBondContact O-N 2.72Å
471	P	91.8	Very high	95.7	Very high	89 Å²	89	39.2 Å²	39.2	58%	0.578	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-32.5	-169.5	23.2	-33.3	0	0	0	114	P476	P471-P476 WeakPolarHBondContact O-CD 3.31Å; P471-P476 VanDerWaalsContact O-CG 3.23Å; P471-P476 WeakPolarHBondContact O-CG 3.48Å
472	E	90.9	Very high	95.8	Very high	171 Å²	171	39.2 Å²	39.2	80%	0.799	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-20	-175	-59.3	-55.1	145.6	0	0	113.8	P470	P470-E472 PolarHBondContact O-N 3.42Å
473	T	93.3	Very high	95.8	Very high	75 Å²	75	41.9 Å²	41.9	46%	0.46	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-54.1	-168.5	57.9	0	0	0	0	113.4	P470	P470-T473 PolarHBondContact O-N 3.43Å
474	F	96.3	Very high	95.9	Very high	38 Å²	38	44.5 Å²	44.5	17%	0.167	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-37.2	-169.1	-69.3	-52.1	0	0	0	113.3	I411 P470 P476 R477 V478	I411-F474 HydrophobicContact CB-CD1 4.06Å; I411-F474 HydrophobicContact CB-CG 4.41Å; I411-F474 HydrophobicContact CD1-CB 3.78Å; I411-F474 HydrophobicContact CD1-CG 4.41Å; I411-F474 HydrophobicContact CG2-CB 4.34Å; I411-F474 HydrophobicContact CG2-CD1 3.48Å; I411-F474 VanDerWaalsContact CG2-CD1 3.48Å; I411-F474 HydrophobicContact CG2-CE1 4.07Å; I411-F474 HydrophobicContact CG2-CG 4.17Å; P470-F474 HydrophobicContact CG-CD2 4.26Å; P470-F474 PolarHBondContact O-N 3.2Å; P470-F474 VanDerWaalsContact O-N 3.17Å; F474-P476 VanDerWaalsContact C-CD 3.42Å; F474-P476 VanDerWaalsContact C-N 3.33Å; F474-R477 WeakPolarHBondContact O-CB 3.47Å; F474-R477 PolarHBondContact O-N 2.97Å; F474-V478 PolarHBondContact O-N 3.43Å
475	K	96.8	Very high	95.9	Very high	28 Å²	28	49.6 Å²	49.6	12%	0.122	26%	0.261	C	S	.	.	H	α-helix	trans	-54.7	-41.1	175.9	-172.8	165.7	176.8	145.4	0	113	L466 P470 R477 V478 L479 D554	L466-K475 WeakPolarHBondContact O-CE 3.37Å; L466-K475 PolarHBondContact O-NZ 2.89Å; P470-K475 PolarHBondContact O-N 2.72Å; K475-R477 PolarHBondContact O-N 2.98Å; K475-V478 PolarHBondContact O-N 2.91Å; K475-V478 VanDerWaalsContact O-N 3.1Å; K475-L479 HydrophobicContact CG-CD1 3.92Å; K475-L479 HydrophobicContact CG-CG 4.31Å; K475-L479 WeakPolarHBondContact O-CG 3.22Å; K475-L479 PolarHBondContact O-N 3.19Å; K475-D554 IonicContact NZ-OD1 3.86Å; K475-D554 PolarHBondContact NZ-OD1 3.45Å; K475-D554 IonicContact NZ-OD2 3.55Å
476	P	97.1	Very high	95.8	Very high	63 Å²	63	55 Å²	55	41%	0.409	29%	0.29	S	S	.	.	H	α-helix	trans	-62.2	-30.5	177.1	-24	36.4	0	0	0	112.7	P471 F474 A480	P471-P476 WeakPolarHBondContact O-CD 3.31Å; P471-P476 VanDerWaalsContact O-CG 3.23Å; P471-P476 WeakPolarHBondContact O-CG 3.48Å; F474-P476 VanDerWaalsContact C-CD 3.42Å; F474-P476 VanDerWaalsContact C-N 3.33Å; P476-A480 VanDerWaalsContact O-CB 3.24Å; P476-A480 WeakPolarHBondContact O-CB 3.44Å; P476-A480 PolarHBondContact O-N 3.49Å
477	R	97.4	Very high	95.8	Very high	139 Å²	139	56 Å²	56	53%	0.525	29%	0.294	S	S	.	.	H	α-helix	trans	-70	-37.5	176.4	-56.7	-174.7	-174.9	-168.6	-2.4	111.8	L416 F474 K475 K481	L416-R477 HydrophobicContact CD1-CB 4.03Å; F474-R477 WeakPolarHBondContact O-CB 3.47Å; F474-R477 PolarHBondContact O-N 2.97Å; K475-R477 PolarHBondContact O-N 2.98Å; R477-K481 WeakPolarHBondContact O-CG 3.5Å
478	V	98	Very high	96	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-67.1	-47	174.9	-174	0	0	0	0	109.8	I411 L416 F420 L465 L466 F474 K475 A480 K481	I411-V478 HydrophobicContact CD1-CG2 3.67Å; L416-V478 HydrophobicContact CD1-CG2 4.36Å; L416-V478 HydrophobicContact CD2-CG2 4.25Å; F420-V478 HydrophobicContact CZ-CG1 4.42Å; L465-V478 HydrophobicContact CB-CG1 4.39Å; L465-V478 HydrophobicContact CB-CG2 4.24Å; L466-V478 HydrophobicContact CD2-CB 4.31Å; L466-V478 HydrophobicContact CD2-CG1 3.68Å; L466-V478 HydrophobicContact CG-CG1 3.97Å; F474-V478 PolarHBondContact O-N 3.43Å; K475-V478 PolarHBondContact O-N 2.91Å; K475-V478 VanDerWaalsContact O-N 3.1Å; V478-A480 PolarHBondContact O-N 2.99Å; V478-K481 VanDerWaalsContact O-CB 3.27Å; V478-K481 WeakPolarHBondContact O-CB 3.48Å; V478-K481 PolarHBondContact O-N 3.35Å
479	L	98	Very high	96.2	Very high	17 Å²	17	56.6 Å²	56.6	9%	0.089	30%	0.299	C	S	.	.	H	α-helix	trans	-62.7	-40.5	178.5	-68.6	167.5	0	0	0	112.4	L466 K475 K481 F482 V555 N558	L466-L479 HydrophobicContact CD2-CD2 3.77Å; L466-L479 HydrophobicContact CD2-CG 4.28Å; K475-L479 HydrophobicContact CG-CD1 3.92Å; K475-L479 HydrophobicContact CG-CG 4.31Å; K475-L479 WeakPolarHBondContact O-CG 3.22Å; K475-L479 PolarHBondContact O-N 3.19Å; L479-K481 PolarHBondContact O-N 3.39Å; L479-K481 VanDerWaalsContact O-N 3.16Å; L479-F482 PolarHBondContact O-N 2.97Å; L479-V555 HydrophobicContact CD2-CB 4.44Å; L479-V555 HydrophobicContact CD2-CG1 4.27Å; L479-N558 HydrophobicContact CD1-CB 4.04Å; L479-N558 WeakPolarHBondContact CD1-O 3.46Å; L479-N558 HydrophobicContact CD2-CB 4.41Å
480	A	97.4	Very high	96.3	Very high	50 Å²	50	56.4 Å²	56.4	41%	0.413	30%	0.298	S	S	.	.	H	α-helix	trans	-58.1	-29.7	177.1	0	0	0	0	0	112.5	P476 V478 F482 V483 E484	P476-A480 VanDerWaalsContact O-CB 3.24Å; P476-A480 WeakPolarHBondContact O-CB 3.44Å; P476-A480 PolarHBondContact O-N 3.49Å; V478-A480 PolarHBondContact O-N 2.99Å; A480-F482 VanDerWaalsContact C-N 3.26Å; A480-F482 PolarHBondContact O-N 2.98Å; A480-V483 PolarHBondContact O-N 3.24Å; A480-V483 VanDerWaalsContact O-N 3.13Å; A480-E484 PolarHBondContact O-N 2.98Å
481	K	97.9	Very high	96.5	Very high	32 Å²	32	56.9 Å²	56.9	14%	0.139	30%	0.298	C	S	.	.	H	α-helix	trans	-57	-41.9	175.1	-59.2	-55.4	-56.4	173.9	0	111	L416 F420 R477 V478 L479 V483 E484 K489	L416-K481 HydrophobicContact CD1-CG 4.44Å; F420-K481 HydrophobicContact CD1-CB 4.03Å; F420-K481 HydrophobicContact CD2-CB 4.15Å; F420-K481 HydrophobicContact CD2-CD 4.42Å; F420-K481 HydrophobicContact CD2-CG 3.78Å; F420-K481 HydrophobicContact CE1-CB 3.62Å; F420-K481 HydrophobicContact CE1-CG 4.29Å; F420-K481 HydrophobicContact CE2-CB 3.77Å; F420-K481 HydrophobicContact CE2-CG 3.49Å; F420-K481 VanDerWaalsContact CE2-CG 3.49Å; F420-K481 HydrophobicContact CG-CB 4.27Å; F420-K481 HydrophobicContact CG-CG 4.31Å; F420-K481 HydrophobicContact CZ-CB 3.47Å; F420-K481 VanDerWaalsContact CZ-CB 3.47Å; F420-K481 HydrophobicContact CZ-CG 3.75Å; R477-K481 WeakPolarHBondContact O-CG 3.5Å; V478-K481 VanDerWaalsContact O-CB 3.27Å; V478-K481 WeakPolarHBondContact O-CB 3.48Å; V478-K481 PolarHBondContact O-N 3.35Å; L479-K481 PolarHBondContact O-N 3.39Å; L479-K481 VanDerWaalsContact O-N 3.16Å; K481-V483 PolarHBondContact O-N 3.24Å; K481-V483 VanDerWaalsContact O-N 3.16Å; K481-E484 WeakPolarHBondContact CD-OE1 3.33Å; K481-E484 WeakPolarHBondContact CE-OE1 3.48Å; K481-E484 WeakPolarHBondContact CE-OE2 3.41Å; K481-E484 IonicContact NZ-OE1 2.58Å; K481-E484 PolarHBondContact NZ-OE1 2.73Å; K481-E484 IonicContact NZ-OE2 3.25Å; K481-E484 PolarHBondContact NZ-OE2 2.78Å; K481-E484 PolarHBondContact O-N 3.03Å; K481-K489 HydrophobicContact CB-CD 4.44Å; K481-K489 WeakPolarHBondContact O-CD 3.18Å; K481-K489 WeakPolarHBondContact O-CE 3.16Å
482	F	98.1	Very high	96.7	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-9.4	-178.3	-70.9	-88.1	0	0	0	114.7	F420 I462 L466 L479 A480 H487 K489 V490 L493 I551 V555 I563	F420-F482 HydrophobicContact CE1-CE2 4.04Å; F420-F482 HydrophobicContact CE1-CZ 4.14Å; F420-F482 AromaticContact CZ-CE2 3.95Å; F420-F482 HydrophobicContact CZ-CE2 3.95Å; F420-F482 HydrophobicContact CZ-CZ 4.39Å; I462-F482 HydrophobicContact CG2-CE2 4.49Å; I462-F482 HydrophobicContact CG2-CZ 4.07Å; L466-F482 HydrophobicContact CD1-CE2 4.47Å; L479-F482 PolarHBondContact O-N 2.97Å; A480-F482 VanDerWaalsContact C-N 3.26Å; A480-F482 PolarHBondContact O-N 2.98Å; F482-H487 WeakPolarHBondContact O-CA 3.37Å; F482-H487 PolarHBondContact O-CD2 3.43Å; F482-K489 HydrophobicContact CD1-CB 4.08Å; F482-K489 HydrophobicContact CE1-CB 4.4Å; F482-V490 HydrophobicContact CB-CG2 4.13Å; F482-V490 HydrophobicContact CD1-CG2 4.12Å; F482-V490 WeakPolarHBondContact O-CG2 3.4Å; F482-L493 HydrophobicContact CE1-CD2 4.16Å; F482-I551 HydrophobicContact CZ-CG2 4.13Å; F482-V555 HydrophobicContact CD1-CG1 4.27Å; F482-V555 HydrophobicContact CD2-CG1 3.72Å; F482-V555 HydrophobicContact CE1-CG1 4.2Å; F482-V555 HydrophobicContact CE2-CG1 3.65Å; F482-V555 HydrophobicContact CG-CB 4.48Å; F482-V555 HydrophobicContact CG-CG1 4.04Å; F482-V555 HydrophobicContact CZ-CG1 3.89Å; F482-I563 HydrophobicContact CB-CD1 4.02Å
483	V	97.7	Very high	97	Very high	56 Å²	56	45.9 Å²	45.9	34%	0.339	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-24.7	175.9	-177.2	0	0	0	0	111.9	A480 K481 A560 I563	A480-V483 PolarHBondContact O-N 3.24Å; A480-V483 VanDerWaalsContact O-N 3.13Å; K481-V483 PolarHBondContact O-N 3.24Å; K481-V483 VanDerWaalsContact O-N 3.16Å; V483-A560 HydrophobicContact CG2-CB 3.84Å; V483-I563 HydrophobicContact CG2-CD1 4.07Å; V483-I563 HydrophobicContact CG2-CG1 4.22Å
484	E	96.5	Very high	97.2	Very high	77 Å²	77	42.5 Å²	42.5	36%	0.36	22%	0.217	S	C	.	.	H	α-helix	trans	-61.1	142.3	-179.4	-70.1	173.7	-173.8	0	0	112.5	A480 K481 K489	A480-E484 PolarHBondContact O-N 2.98Å; K481-E484 WeakPolarHBondContact CD-OE1 3.33Å; K481-E484 WeakPolarHBondContact CE-OE1 3.48Å; K481-E484 WeakPolarHBondContact CE-OE2 3.41Å; K481-E484 IonicContact NZ-OE1 2.58Å; K481-E484 PolarHBondContact NZ-OE1 2.73Å; K481-E484 IonicContact NZ-OE2 3.25Å; K481-E484 PolarHBondContact NZ-OE2 2.78Å; K481-E484 PolarHBondContact O-N 3.03Å; E484-K489 PolarHBondContact O-NZ 2.98Å; E484-K489 IonicContact OE2-NZ 3.65Å
485	N	95.9	Very high	97.2	Very high	110 Å²	110	45.9 Å²	45.9	59%	0.588	23%	0.233	S	C	*	.	H	α-helix	trans	57.5	52.6	176.8	-53.8	-33.5	0	0	0	113	H487 E488	N485-H487 VanDerWaalsContact C-N 3.3Å; N485-H487 PolarHBondContact O-N 3.28Å; N485-E488 HydrophobicContact CB-CB 4.49Å; N485-E488 VanDerWaalsContact CB-CD 3.48Å; N485-E488 HydrophobicContact CB-CG 4.03Å; N485-E488 PolarHBondContact ND2-OE1 2.93Å; N485-E488 PolarHBondContact O-N 3.31Å
486	D	96	Very high	97.2	Very high	115 Å²	115	44.6 Å²	44.6	62%	0.615	23%	0.228	S	C	*	.	H	α-helix	trans	54.4	44.2	178.4	-164.5	50.5	0	0	0	113.1	E488 R566	D486-E488 VanDerWaalsContact C-N 3.27Å; D486-E488 PolarHBondContact O-N 3.21Å; D486-R566 IonicContact OD2-NH1 3.55Å
487	H	97.2	Very high	97.2	Very high	20 Å²	20	41.6 Å²	41.6	9%	0.093	21%	0.208	C	C	.	.	H	α-helix	trans	61	27.8	176.8	-53.5	76.3	0	0	0	114.7	F482 N485 K489 V490 D491 T562 R566	F482-H487 WeakPolarHBondContact O-CA 3.37Å; F482-H487 PolarHBondContact O-CD2 3.43Å; N485-H487 VanDerWaalsContact C-N 3.3Å; N485-H487 PolarHBondContact O-N 3.28Å; H487-K489 PolarHBondContact O-N 3.29Å; H487-V490 HydrophobicContact CB-CB 4.09Å; H487-V490 HydrophobicContact CB-CG2 3.98Å; H487-V490 WeakPolarHBondContact O-CA 3.25Å; H487-V490 VanDerWaalsContact O-CB 3.27Å; H487-V490 WeakPolarHBondContact O-CB 3.39Å; H487-V490 PolarHBondContact O-N 2.88Å; H487-D491 PolarHBondContact O-N 3.31Å; H487-D491 VanDerWaalsContact O-N 3.12Å; H487-T562 WeakPolarHBondContact NE2-CB 3.21Å; H487-T562 PolarHBondContact NE2-OG1 3.22Å; H487-R566 HydrophobicContact CB-CB 4.46Å; H487-R566 HydrophobicContact CB-CG 3.95Å
488	E	97.1	Very high	97.1	Very high	63 Å²	63	36.4 Å²	36.4	29%	0.294	19%	0.191	S	C	.	.	H	α-helix	trans	-53.6	-29.7	-178.7	74.5	-174.8	172.8	0	0	113.8	M424 N485 D486 D491 R492	M424-E488 HydrophobicContact CE-CB 4.17Å; M424-E488 HydrophobicContact CE-CG 3.87Å; M424-E488 HydrophobicContact SD-CG 4.39Å; N485-E488 HydrophobicContact CB-CB 4.49Å; N485-E488 VanDerWaalsContact CB-CD 3.48Å; N485-E488 HydrophobicContact CB-CG 4.03Å; N485-E488 PolarHBondContact ND2-OE1 2.93Å; N485-E488 PolarHBondContact O-N 3.31Å; D486-E488 VanDerWaalsContact C-N 3.27Å; D486-E488 PolarHBondContact O-N 3.21Å; E488-D491 WeakPolarHBondContact O-CB 3.43Å; E488-D491 PolarHBondContact O-N 2.97Å; E488-R492 PolarHBondContact O-N 3.48Å
489	K	97.7	Very high	97	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.017	21%	0.209	C	C	.	.	H	α-helix	trans	-78.2	-26	178.9	-57.3	124.8	-174.1	95.9	0	111.7	F420 F423 M424 K481 F482 E484 H487 L493	F420-K489 HydrophobicContact CD1-CD 4.22Å; F420-K489 HydrophobicContact CD1-CG 4.12Å; F423-K489 HydrophobicContact CD1-CB 4.45Å; F423-K489 HydrophobicContact CE1-CB 4.15Å; F423-K489 WeakPolarHBondContact CE1-O 2.94Å; M424-K489 HydrophobicContact CG-CG 4.48Å; M424-K489 HydrophobicContact SD-CB 4.31Å; M424-K489 HydrophobicContact SD-CG 3.75Å; K481-K489 HydrophobicContact CB-CD 4.44Å; K481-K489 WeakPolarHBondContact O-CD 3.18Å; K481-K489 WeakPolarHBondContact O-CE 3.16Å; F482-K489 HydrophobicContact CD1-CB 4.08Å; F482-K489 HydrophobicContact CE1-CB 4.4Å; E484-K489 PolarHBondContact O-NZ 2.98Å; E484-K489 IonicContact OE2-NZ 3.65Å; H487-K489 PolarHBondContact O-N 3.29Å; K489-L493 VanDerWaalsContact O-CB 3.26Å; K489-L493 WeakPolarHBondContact O-CB 3.38Å; K489-L493 PolarHBondContact O-N 3.3Å
490	V	98	Very high	96.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-69.1	-40.5	168.2	-176.8	0	0	0	0	109.4	F482 H487 R492 L493 I494 I563 R566 V567 L570	F482-V490 HydrophobicContact CB-CG2 4.13Å; F482-V490 HydrophobicContact CD1-CG2 4.12Å; F482-V490 WeakPolarHBondContact O-CG2 3.4Å; H487-V490 HydrophobicContact CB-CB 4.09Å; H487-V490 HydrophobicContact CB-CG2 3.98Å; H487-V490 WeakPolarHBondContact O-CA 3.25Å; H487-V490 VanDerWaalsContact O-CB 3.27Å; H487-V490 WeakPolarHBondContact O-CB 3.39Å; H487-V490 PolarHBondContact O-N 2.88Å; V490-R492 VanDerWaalsContact C-N 3.34Å; V490-R492 PolarHBondContact O-N 3.13Å; V490-L493 WeakPolarHBondContact O-CB 3.32Å; V490-L493 PolarHBondContact O-N 2.96Å; V490-I494 WeakPolarHBondContact O-CG1 3.45Å; V490-I494 PolarHBondContact O-N 3.26Å; V490-I563 HydrophobicContact CG2-CG2 3.97Å; V490-R566 HydrophobicContact CB-CG 4.35Å; V490-R566 HydrophobicContact CG1-CB 4.35Å; V490-R566 HydrophobicContact CG1-CG 4.04Å; V490-V567 HydrophobicContact CG1-CG2 3.52Å; V490-L570 HydrophobicContact CG1-CD1 4.32Å
491	D	97.2	Very high	96.7	Very high	48 Å²	48	38.5 Å²	38.5	26%	0.257	19%	0.19	S	C	.	.	H	α-helix	trans	-58.1	-47.9	173.9	-60.5	-27.8	0	0	0	111.2	H487 E488 L493 I494 E495 R566 L570	H487-D491 PolarHBondContact O-N 3.31Å; H487-D491 VanDerWaalsContact O-N 3.12Å; E488-D491 WeakPolarHBondContact O-CB 3.43Å; E488-D491 PolarHBondContact O-N 2.97Å; D491-L493 VanDerWaalsContact C-N 3.35Å; D491-L493 PolarHBondContact O-N 3.37Å; D491-I494 PolarHBondContact O-N 2.9Å; D491-E495 WeakPolarHBondContact O-CB 3.36Å; D491-E495 PolarHBondContact O-N 2.93Å; D491-R566 IonicContact OD1-CZ 3.79Å; D491-R566 VanDerWaalsContact OD1-CZ 3.25Å; D491-R566 IonicContact OD1-NE 2.8Å; D491-R566 PolarHBondContact OD1-NE 3.45Å; D491-R566 IonicContact OD1-NH2 2.85Å; D491-R566 PolarHBondContact OD1-NH2 3.15Å; D491-R566 IonicContact OD2-CZ 3.68Å; D491-R566 IonicContact OD2-NH2 2.74Å; D491-R566 PolarHBondContact OD2-NH2 2.96Å; D491-L570 VanDerWaalsContact OD1-CD1 3.31Å; D491-L570 WeakPolarHBondContact OD1-CD1 3.44Å
492	R	97	Very high	96.6	Very high	28 Å²	28	41.5 Å²	41.5	11%	0.106	21%	0.208	C	C	.	.	H	α-helix	trans	-62.3	-39.9	175.8	-179.3	58.7	178.3	157.6	7.2	112.5	F423 M424 E455 E488 V490 E495 L496	F423-R492 HydrophobicContact CD1-CG 4.08Å; F423-R492 HydrophobicContact CE1-CB 3.93Å; F423-R492 HydrophobicContact CE1-CG 3.75Å; F423-R492 HydrophobicContact CZ-CB 4.44Å; F423-R492 HydrophobicContact CZ-CG 4.05Å; F423-R492 WeakPolarHBondContact O-CG 3.26Å; F423-R492 PolarHBondContact O-NE 2.87Å; F423-R492 VanDerWaalsContact O-NE 3.12Å; M424-R492 HydrophobicContact CE-CB 4.15Å; M424-R492 HydrophobicContact SD-CB 3.72Å; M424-R492 HydrophobicContact SD-CG 4.03Å; E455-R492 IonicContact OE2-NH2 3.32Å; E455-R492 PolarHBondContact OE2-NH2 2.9Å; E488-R492 PolarHBondContact O-N 3.48Å; V490-R492 VanDerWaalsContact C-N 3.34Å; V490-R492 PolarHBondContact O-N 3.13Å; R492-E495 WeakPolarHBondContact CD-OE2 3.43Å; R492-E495 IonicContact CZ-OE2 3.01Å; R492-E495 IonicContact NH1-OE1 3.16Å; R492-E495 PolarHBondContact NH1-OE1 2.91Å; R492-E495 IonicContact NH1-OE2 3.44Å; R492-E495 PolarHBondContact NH1-OE2 2.83Å; R492-E495 WeakPolarHBondContact O-CB 3.36Å; R492-E495 PolarHBondContact O-N 3.07Å; R492-L496 HydrophobicContact CG-CD1 4.39Å; R492-L496 WeakPolarHBondContact O-CG 3.38Å; R492-L496 PolarHBondContact O-N 2.93Å
493	L	97.5	Very high	96.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.5	-45.2	177	-178.2	64.8	0	0	0	111.4	F423 F482 K489 V490 D491 L496 H497 L548 I551 I552 V555	F423-L493 HydrophobicContact CZ-CB 4.09Å; F423-L493 HydrophobicContact CZ-CD1 4.24Å; F482-L493 HydrophobicContact CE1-CD2 4.16Å; K489-L493 VanDerWaalsContact O-CB 3.26Å; K489-L493 WeakPolarHBondContact O-CB 3.38Å; K489-L493 PolarHBondContact O-N 3.3Å; V490-L493 WeakPolarHBondContact O-CB 3.32Å; V490-L493 PolarHBondContact O-N 2.96Å; D491-L493 VanDerWaalsContact C-N 3.35Å; D491-L493 PolarHBondContact O-N 3.37Å; L493-L496 PolarHBondContact O-N 2.73Å; L493-H497 PolarHBondContact O-N 3.4Å; L493-L548 HydrophobicContact CD1-CD2 3.59Å; L493-I551 HydrophobicContact CD1-CB 4.26Å; L493-I551 HydrophobicContact CD1-CG2 3.83Å; L493-I551 HydrophobicContact CD2-CG2 3.89Å; L493-I552 HydrophobicContact CD1-CG1 4.28Å; L493-I552 HydrophobicContact CD2-CB 4.36Å; L493-I552 HydrophobicContact CD2-CG1 3.5Å; L493-I552 VanDerWaalsContact CD2-CG1 3.5Å; L493-I552 HydrophobicContact CG-CD1 4.38Å; L493-I552 HydrophobicContact CG-CG1 3.67Å; L493-V555 HydrophobicContact CD2-CG2 4.22Å
494	I	97.4	Very high	96.3	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-69.4	-37.6	176.4	-60.3	-55.5	0	0	0	111.3	V490 D491 L496 H497 L498 I552 V567 L570 L571	V490-I494 WeakPolarHBondContact O-CG1 3.45Å; V490-I494 PolarHBondContact O-N 3.26Å; D491-I494 PolarHBondContact O-N 2.9Å; I494-L496 VanDerWaalsContact C-N 3.31Å; I494-L496 PolarHBondContact O-N 3.47Å; I494-H497 WeakPolarHBondContact O-CB 3.31Å; I494-H497 PolarHBondContact O-N 3.26Å; I494-L498 HydrophobicContact CG2-CD1 4.13Å; I494-L498 HydrophobicContact CG2-CG 4.35Å; I494-L498 WeakPolarHBondContact O-CG 3.41Å; I494-L498 PolarHBondContact O-N 3.42Å; I494-I552 HydrophobicContact CD1-CD1 3.77Å; I494-I552 HydrophobicContact CD1-CG1 4.29Å; I494-V567 HydrophobicContact CD1-CG1 4.08Å; I494-V567 HydrophobicContact CD1-CG2 4.25Å; I494-L570 HydrophobicContact CB-CB 4.4Å; I494-L570 HydrophobicContact CB-CD1 4.05Å; I494-L570 HydrophobicContact CG1-CB 4.22Å; I494-L570 HydrophobicContact CG1-CD1 3.69Å; I494-L570 HydrophobicContact CG2-CB 4.04Å; I494-L571 HydrophobicContact CD1-CD2 4.43Å; I494-L571 HydrophobicContact CG2-CD2 4.21Å
495	E	96	Very high	96.2	Very high	109 Å²	109	43.4 Å²	43.4	51%	0.509	21%	0.213	S	C	.	.	H	α-helix	trans	-57.2	-44.8	173.1	-169.3	-161.3	159	0	0	111.9	D491 R492 L498 K499	D491-E495 WeakPolarHBondContact O-CB 3.36Å; D491-E495 PolarHBondContact O-N 2.93Å; R492-E495 WeakPolarHBondContact CD-OE2 3.43Å; R492-E495 IonicContact CZ-OE2 3.01Å; R492-E495 IonicContact NH1-OE1 3.16Å; R492-E495 PolarHBondContact NH1-OE1 2.91Å; R492-E495 IonicContact NH1-OE2 3.44Å; R492-E495 PolarHBondContact NH1-OE2 2.83Å; R492-E495 WeakPolarHBondContact O-CB 3.36Å; R492-E495 PolarHBondContact O-N 3.07Å; E495-L498 PolarHBondContact O-N 2.97Å; E495-K499 WeakPolarHBondContact O-CB 3.44Å; E495-K499 PolarHBondContact O-N 3.34Å
496	L	96	Very high	96.2	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-66.4	-43.5	176.8	-73.1	175.7	0	0	0	112.3	F423 E455 I459 R492 L493 I494 L498 K499 Y500 L548	F423-L496 HydrophobicContact CD2-CD1 4.13Å; F423-L496 HydrophobicContact CE2-CD1 3.47Å; F423-L496 VanDerWaalsContact CE2-CD1 3.47Å; F423-L496 HydrophobicContact CZ-CD1 4.01Å; E455-L496 HydrophobicContact CG-CD2 4.07Å; E455-L496 WeakPolarHBondContact OE1-CD2 3.41Å; E455-L496 WeakPolarHBondContact OE2-CD2 3.1Å; I459-L496 HydrophobicContact CD1-CD1 4.38Å; I459-L496 HydrophobicContact CG1-CD1 4.43Å; R492-L496 HydrophobicContact CG-CD1 4.39Å; R492-L496 WeakPolarHBondContact O-CG 3.38Å; R492-L496 PolarHBondContact O-N 2.93Å; L493-L496 PolarHBondContact O-N 2.73Å; I494-L496 VanDerWaalsContact C-N 3.31Å; I494-L496 PolarHBondContact O-N 3.47Å; L496-L498 VanDerWaalsContact C-N 3.29Å; L496-L498 PolarHBondContact O-N 2.96Å; L496-K499 HydrophobicContact CD2-CD 4.41Å; L496-K499 PolarHBondContact O-N 3.37Å; L496-Y500 WeakPolarHBondContact O-CD2 3.38Å; L496-Y500 PolarHBondContact O-N 3.36Å; L496-L548 HydrophobicContact CB-CD1 3.82Å; L496-L548 HydrophobicContact CB-CD2 3.84Å; L496-L548 HydrophobicContact CD1-CD2 4.11Å
497	H	96.3	Very high	96.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-53	-49.2	172.9	167.1	79.3	0	0	0	110.7	L493 I494 K499 Y500 L501 L545 D549 I552	L493-H497 PolarHBondContact O-N 3.4Å; I494-H497 WeakPolarHBondContact O-CB 3.31Å; I494-H497 PolarHBondContact O-N 3.26Å; H497-K499 PolarHBondContact O-N 2.72Å; H497-Y500 PolarHBondContact O-N 3.01Å; H497-L501 WeakPolarHBondContact O-CB 3.16Å; H497-L501 PolarHBondContact O-N 2.93Å; H497-L545 WeakPolarHBondContact O-CD1 3.38Å; H497-D549 IonicContact CE1-OD1 3.56Å; H497-D549 PolarHBondContact CE1-OD1 2.72Å; H497-D549 IonicContact CE1-OD2 3.84Å; H497-D549 PolarHBondContact CE1-OD2 3.48Å; H497-D549 IonicContact CG-OD1 3.06Å; H497-D549 IonicContact ND1-OD1 2.97Å; H497-D549 PolarHBondContact ND1-OD1 3.24Å; H497-D549 IonicContact ND1-OD2 3.3Å; H497-D549 PolarHBondContact ND1-OD2 2.91Å; H497-I552 HydrophobicContact CB-CD1 4.13Å
498	L	96.1	Very high	96.1	Very high	30 Å²	30	37.3 Å²	37.3	16%	0.157	19%	0.188	C	C	.	.	H	α-helix	trans	-62.1	-45.8	179.5	-65.1	169.4	0	0	0	112.3	I494 E495 L496 Y500 L501 D502 R574 I576	I494-L498 HydrophobicContact CG2-CD1 4.13Å; I494-L498 HydrophobicContact CG2-CG 4.35Å; I494-L498 WeakPolarHBondContact O-CG 3.41Å; I494-L498 PolarHBondContact O-N 3.42Å; E495-L498 PolarHBondContact O-N 2.97Å; L496-L498 VanDerWaalsContact C-N 3.29Å; L496-L498 PolarHBondContact O-N 2.96Å; L498-Y500 PolarHBondContact O-N 3.21Å; L498-L501 PolarHBondContact O-N 3.05Å; L498-D502 PolarHBondContact O-N 3.27Å; L498-R574 HydrophobicContact CD1-CB 4.3Å; L498-R574 HydrophobicContact CD1-CG 3.8Å; L498-R574 HydrophobicContact CD2-CB 4.48Å; L498-I576 HydrophobicContact CD2-CD1 3.13Å; L498-I576 HydrophobicContact CD2-CG1 3.78Å
499	K	95	Very high	96	Very high	90 Å²	90	37.9 Å²	37.9	39%	0.391	20%	0.199	S	C	.	.	H	α-helix	trans	-56.2	-51.9	176.8	178	-169	174	-167.4	0	111	E455 E495 L496 H497 D502 I503	E455-K499 IonicContact OE1-NZ 2.64Å; E455-K499 PolarHBondContact OE1-NZ 3.49Å; E455-K499 IonicContact OE2-NZ 3.66Å; E455-K499 PolarHBondContact OE2-NZ 3.09Å; E495-K499 WeakPolarHBondContact O-CB 3.44Å; E495-K499 PolarHBondContact O-N 3.34Å; L496-K499 HydrophobicContact CD2-CD 4.41Å; L496-K499 PolarHBondContact O-N 3.37Å; H497-K499 PolarHBondContact O-N 2.72Å; K499-D502 PolarHBondContact O-N 2.98Å; K499-I503 HydrophobicContact CG-CD1 4.2Å; K499-I503 WeakPolarHBondContact O-CG1 3.31Å; K499-I503 PolarHBondContact O-N 3.43Å; K499-I503 VanDerWaalsContact O-N 3.14Å
500	Y	95.3	Very high	95.9	Very high	8 Å²	8	44.4 Å²	44.4	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-72.3	-31.9	-178.1	-84	-78	0	0	0	112.8	E455 E456 I459 L496 H497 L498 D502 I503 V504 P544 L548	E455-Y500 WeakPolarHBondContact OE1-CE2 3.4Å; E456-Y500 WeakPolarHBondContact CG-OH 3.46Å; I459-Y500 HydrophobicContact CD1-CE2 3.99Å; L496-Y500 WeakPolarHBondContact O-CD2 3.38Å; L496-Y500 PolarHBondContact O-N 3.36Å; H497-Y500 PolarHBondContact O-N 3.01Å; L498-Y500 PolarHBondContact O-N 3.21Å; Y500-D502 VanDerWaalsContact C-N 3.31Å; Y500-D502 PolarHBondContact O-N 3.13Å; Y500-I503 HydrophobicContact CD1-CD1 4.16Å; Y500-I503 HydrophobicContact CE1-CD1 4.4Å; Y500-I503 PolarHBondContact O-N 3.44Å; Y500-V504 WeakPolarHBondContact O-CB 3.47Å; Y500-V504 VanDerWaalsContact O-CG2 3.29Å; Y500-V504 WeakPolarHBondContact O-CG2 3.21Å; Y500-V504 PolarHBondContact O-N 3.23Å; Y500-P544 HydrophobicContact CD1-CB 3.94Å; Y500-P544 HydrophobicContact CD1-CG 3.49Å; Y500-P544 VanDerWaalsContact CD1-CG 3.49Å; Y500-P544 HydrophobicContact CD2-CB 4.44Å; Y500-P544 HydrophobicContact CE1-CB 3.59Å; Y500-P544 HydrophobicContact CE1-CG 3.12Å; Y500-P544 HydrophobicContact CE2-CB 4.12Å; Y500-P544 HydrophobicContact CG-CB 4.35Å; Y500-P544 HydrophobicContact CG-CG 4.34Å; Y500-L548 HydrophobicContact CD2-CD1 3.59Å; Y500-L548 HydrophobicContact CE2-CD1 4.23Å; Y500-L548 HydrophobicContact CG-CD1 4.25Å
501	L	95.3	Very high	95.6	Very high	13 Å²	13	44.8 Å²	44.8	7%	0.068	23%	0.23	C	C	.	.	H	α-helix	trans	-60.2	-41.9	172.9	-177.7	65.5	0	0	0	111.4	H497 L498 V504 K505 L545 I576	H497-L501 WeakPolarHBondContact O-CB 3.16Å; H497-L501 PolarHBondContact O-N 2.93Å; L498-L501 PolarHBondContact O-N 3.05Å; L501-V504 PolarHBondContact O-N 3Å; L501-K505 VanDerWaalsContact O-CG 3.26Å; L501-K505 WeakPolarHBondContact O-CG 3.43Å; L501-K505 PolarHBondContact O-N 3.41Å; L501-L545 HydrophobicContact CB-CD1 4.23Å; L501-L545 HydrophobicContact CB-CD2 4.47Å; L501-L545 HydrophobicContact CD1-CD2 4.12Å; L501-I576 HydrophobicContact CD2-CD1 3.66Å
502	D	95.6	Very high	95.5	Very high	95 Å²	95	45.8 Å²	45.8	51%	0.508	23%	0.233	S	C	.	.	H	α-helix	trans	-70.9	-36.4	176.8	-71.5	-18.3	0	0	0	112.5	L498 K499 Y500 K505 A506	L498-D502 PolarHBondContact O-N 3.27Å; K499-D502 PolarHBondContact O-N 2.98Å; Y500-D502 VanDerWaalsContact C-N 3.31Å; Y500-D502 PolarHBondContact O-N 3.13Å; D502-K505 PolarHBondContact O-N 2.86Å; D502-K505 IonicContact OD1-NZ 3.11Å; D502-K505 PolarHBondContact OD1-NZ 2.81Å; D502-A506 WeakPolarHBondContact O-CB 3.44Å; D502-A506 PolarHBondContact O-N 3.09Å
503	I	94.6	Very high	95.3	Very high	66 Å²	66	50 Å²	50	34%	0.338	26%	0.257	S	S	.	.	H	α-helix	trans	-60.6	-48	171.9	-67	168.1	0	0	0	110.2	K499 Y500 A506 T507 G540	K499-I503 HydrophobicContact CG-CD1 4.2Å; K499-I503 WeakPolarHBondContact O-CG1 3.31Å; K499-I503 PolarHBondContact O-N 3.43Å; K499-I503 VanDerWaalsContact O-N 3.14Å; Y500-I503 HydrophobicContact CD1-CD1 4.16Å; Y500-I503 HydrophobicContact CE1-CD1 4.4Å; Y500-I503 PolarHBondContact O-N 3.44Å; I503-A506 PolarHBondContact O-N 2.91Å; I503-T507 PolarHBondContact O-N 3Å; I503-T507 PolarHBondContact O-OG1 3.45Å; I503-T507 VanDerWaalsContact O-OG1 3.1Å; I503-G540 WeakPolarHBondContact CG2-O 3.13Å
504	V	94.8	Very high	95	Very high	8 Å²	8	52.2 Å²	52.2	5%	0.048	27%	0.268	C	S	.	.	H	α-helix	trans	-64	-43.7	179.5	171.1	0	0	0	0	111.2	Y500 L501 A506 T507 D508 G541 L542 L545	Y500-V504 WeakPolarHBondContact O-CB 3.47Å; Y500-V504 VanDerWaalsContact O-CG2 3.29Å; Y500-V504 WeakPolarHBondContact O-CG2 3.21Å; Y500-V504 PolarHBondContact O-N 3.23Å; L501-V504 PolarHBondContact O-N 3Å; V504-A506 VanDerWaalsContact C-N 3.3Å; V504-A506 PolarHBondContact O-N 3.26Å; V504-T507 CarbonylContact O-C 3.6Å; V504-T507 WeakPolarHBondContact O-CA 3.38Å; V504-T507 WeakPolarHBondContact O-CB 3.37Å; V504-T507 PolarHBondContact O-N 3.32Å; V504-T507 VanDerWaalsContact O-N 3.1Å; V504-D508 WeakPolarHBondContact O-CB 3.13Å; V504-D508 VanDerWaalsContact O-CG 3.29Å; V504-D508 PolarHBondContact O-N 3.16Å; V504-G541 WeakPolarHBondContact CG2-O 3.42Å; V504-L542 HydrophobicContact CG1-CD1 4.2Å; V504-L542 HydrophobicContact CG2-CB 4.26Å; V504-L542 HydrophobicContact CG2-CD1 4.47Å; V504-L545 HydrophobicContact CB-CD2 4.11Å; V504-L545 HydrophobicContact CG1-CD2 4.41Å; V504-L545 HydrophobicContact CG2-CB 4.31Å; V504-L545 HydrophobicContact CG2-CD2 3.83Å
505	K	95.1	Very high	94.7	Very high	99 Å²	99	56.5 Å²	56.5	43%	0.43	28%	0.283	S	S	.	.	H	α-helix	trans	-58.2	-41.4	174.4	-74.3	169.1	-171.4	157.6	0	112.7	L501 D502 D508 S509	L501-K505 VanDerWaalsContact O-CG 3.26Å; L501-K505 WeakPolarHBondContact O-CG 3.43Å; L501-K505 PolarHBondContact O-N 3.41Å; D502-K505 PolarHBondContact O-N 2.86Å; D502-K505 IonicContact OD1-NZ 3.11Å; D502-K505 PolarHBondContact OD1-NZ 2.81Å; K505-D508 PolarHBondContact O-N 3.23Å; K505-S509 PolarHBondContact O-N 2.61Å; K505-S509 PolarHBondContact O-OG 3.03Å
506	A	96	Very high	94.5	Very high	47 Å²	47	59.4 Å²	59.4	39%	0.388	29%	0.29	S	S	.	.	H	α-helix	trans	-67.1	-39	176.4	0	0	0	0	0	111.4	D502 I503 V504 K510	D502-A506 WeakPolarHBondContact O-CB 3.44Å; D502-A506 PolarHBondContact O-N 3.09Å; I503-A506 PolarHBondContact O-N 2.91Å; V504-A506 VanDerWaalsContact C-N 3.3Å; V504-A506 PolarHBondContact O-N 3.26Å; A506-K510 WeakPolarHBondContact O-CG 3.12Å; A506-K510 PolarHBondContact O-N 3.2Å
507	T	94.4	Very high	94.3	Very high	14 Å²	14	63 Å²	63	9%	0.086	31%	0.309	C	S	.	.	H	α-helix	trans	-63	-48.4	172.7	-64.3	0	0	0	0	111.2	I503 V504 S509 K510 V511 G540	I503-T507 PolarHBondContact O-N 3Å; I503-T507 PolarHBondContact O-OG1 3.45Å; I503-T507 VanDerWaalsContact O-OG1 3.1Å; V504-T507 CarbonylContact O-C 3.6Å; V504-T507 WeakPolarHBondContact O-CA 3.38Å; V504-T507 WeakPolarHBondContact O-CB 3.37Å; V504-T507 PolarHBondContact O-N 3.32Å; V504-T507 VanDerWaalsContact O-N 3.1Å; T507-S509 VanDerWaalsContact C-N 3.26Å; T507-S509 PolarHBondContact O-N 3.15Å; T507-K510 CarbonylContact O-C 3.13Å; T507-K510 WeakPolarHBondContact O-CA 3.42Å; T507-K510 WeakPolarHBondContact O-CB 3.37Å; T507-K510 PolarHBondContact O-N 3.34Å; T507-V511 HydrophobicContact CG2-CG2 4.07Å; T507-V511 VanDerWaalsContact O-CG2 3.29Å; T507-V511 WeakPolarHBondContact O-CG2 3.28Å; T507-V511 PolarHBondContact O-N 3.39Å; T507-G540 WeakPolarHBondContact OG1-CA 3.23Å; T507-G540 PolarHBondContact OG1-O 3.22Å
508	D	94.9	Very high	93.8	Very high	56 Å²	56	70.9 Å²	70.9	30%	0.299	35%	0.346	S	S	.	.	H	α-helix	trans	-59.3	-38.7	179.2	-72.3	-20	0	0	0	111.5	V504 K505 K510 V511 E512 R537	V504-D508 WeakPolarHBondContact O-CB 3.13Å; V504-D508 VanDerWaalsContact O-CG 3.29Å; V504-D508 PolarHBondContact O-N 3.16Å; K505-D508 PolarHBondContact O-N 3.23Å; D508-K510 VanDerWaalsContact C-N 3.34Å; D508-K510 PolarHBondContact O-N 3.18Å; D508-V511 PolarHBondContact O-N 3.36Å; D508-E512 WeakPolarHBondContact O-CB 3.39Å; D508-E512 PolarHBondContact O-N 3.03Å; D508-R537 WeakPolarHBondContact OD1-CD 3.35Å; D508-R537 IonicContact OD1-CZ 2.72Å; D508-R537 IonicContact OD1-NE 2.73Å; D508-R537 PolarHBondContact OD1-NE 3.47Å; D508-R537 IonicContact OD1-NH2 3.81Å
509	S	96.2	Very high	93.5	Very high	75 Å²	75	78 Å²	78	52%	0.524	38%	0.375	S	S	.	.	H	α-helix	trans	-61.6	-41.1	173.3	-59.1	0	0	0	0	112.3	K505 T507 I513	K505-S509 PolarHBondContact O-N 2.61Å; K505-S509 PolarHBondContact O-OG 3.03Å; T507-S509 VanDerWaalsContact C-N 3.26Å; T507-S509 PolarHBondContact O-N 3.15Å; S509-I513 WeakPolarHBondContact O-CG1 3.07Å; S509-I513 PolarHBondContact O-N 2.68Å
510	K	94.4	Very high	93.2	Very high	142 Å²	142	78.2 Å²	78.2	62%	0.617	38%	0.377	S	S	*	.	H	α-helix	trans	-69.4	-40.1	175.7	-66.9	169.6	-175.7	173.5	0	111.8	A506 T507 D508 E512 I513 M514	A506-K510 WeakPolarHBondContact O-CG 3.12Å; A506-K510 PolarHBondContact O-N 3.2Å; T507-K510 CarbonylContact O-C 3.13Å; T507-K510 WeakPolarHBondContact O-CA 3.42Å; T507-K510 WeakPolarHBondContact O-CB 3.37Å; T507-K510 PolarHBondContact O-N 3.34Å; D508-K510 VanDerWaalsContact C-N 3.34Å; D508-K510 PolarHBondContact O-N 3.18Å; K510-E512 VanDerWaalsContact C-N 3.31Å; K510-I513 PolarHBondContact O-N 3.31Å; K510-M514 WeakPolarHBondContact O-CB 3.25Å; K510-M514 PolarHBondContact O-N 3.15Å
511	V	93.1	Very high	93	Very high	8 Å²	8	79 Å²	79	5%	0.048	38%	0.38	C	S	.	.	H	α-helix	trans	-61.8	-41.4	177.1	167.5	0	0	0	0	110.1	T507 D508 M514 R515 L533 K536 R537	T507-V511 HydrophobicContact CG2-CG2 4.07Å; T507-V511 VanDerWaalsContact O-CG2 3.29Å; T507-V511 WeakPolarHBondContact O-CG2 3.28Å; T507-V511 PolarHBondContact O-N 3.39Å; D508-V511 PolarHBondContact O-N 3.36Å; V511-M514 WeakPolarHBondContact O-CB 3.31Å; V511-M514 PolarHBondContact O-N 2.68Å; V511-R515 WeakPolarHBondContact O-CB 3.48Å; V511-R515 PolarHBondContact O-N 2.96Å; V511-L533 HydrophobicContact CG1-CB 3.94Å; V511-L533 HydrophobicContact CG1-CD2 3.85Å; V511-L533 HydrophobicContact CG1-CG 4.31Å; V511-K536 HydrophobicContact CG2-CB 4.12Å; V511-K536 HydrophobicContact CG2-CG 3.99Å; V511-R537 HydrophobicContact CG1-CG 4.33Å; V511-R537 HydrophobicContact CG2-CG 3.86Å
512	E	93.6	Very high	92.8	Very high	69 Å²	69	85 Å²	85	32%	0.322	41%	0.41	S	S	.	.	H	α-helix	trans	-67.8	-39.8	176.8	-177.8	57.2	-159.2	0	0	112.6	D508 K510 M514 R515 R516	D508-E512 WeakPolarHBondContact O-CB 3.39Å; D508-E512 PolarHBondContact O-N 3.03Å; K510-E512 VanDerWaalsContact C-N 3.31Å; E512-M514 VanDerWaalsContact C-N 3.3Å; E512-M514 PolarHBondContact O-N 3.44Å; E512-R515 PolarHBondContact O-N 2.89Å; E512-R515 IonicContact OE2-NE 3.29Å; E512-R516 VanDerWaalsContact CG-CZ 3.5Å; E512-R516 VanDerWaalsContact CG-NH2 3.25Å; E512-R516 WeakPolarHBondContact O-CG 3.23Å; E512-R516 PolarHBondContact O-N 2.89Å; E512-R516 IonicContact OE1-CZ 3.52Å; E512-R516 IonicContact OE1-NE 3.36Å; E512-R516 PolarHBondContact OE1-NE 3.02Å; E512-R516 IonicContact OE1-NH2 2.62Å; E512-R516 PolarHBondContact OE1-NH2 3.32Å
513	I	93	Very high	92.6	Very high	117 Å²	117	84.3 Å²	84.3	60%	0.6	43%	0.425	S	S	*	.	H	α-helix	trans	-61.5	-42.3	171.5	-67.1	165.2	0	0	0	110.3	S509 K510 R516 N517	S509-I513 WeakPolarHBondContact O-CG1 3.07Å; S509-I513 PolarHBondContact O-N 2.68Å; K510-I513 PolarHBondContact O-N 3.31Å; I513-R516 PolarHBondContact O-N 2.74Å; I513-N517 PolarHBondContact O-N 2.7Å
514	M	90.9	Very high	92.3	Very high	46 Å²	46	86.6 Å²	86.6	23%	0.227	43%	0.43	C	S	.	.	H	α-helix	trans	-64.8	-42	178.4	-164.8	-171.9	-67.4	0	0	111.7	K510 V511 E512 R516 N517 K520 W521 L533 K536	K510-M514 WeakPolarHBondContact O-CB 3.25Å; K510-M514 PolarHBondContact O-N 3.15Å; V511-M514 WeakPolarHBondContact O-CB 3.31Å; V511-M514 PolarHBondContact O-N 2.68Å; E512-M514 VanDerWaalsContact C-N 3.3Å; E512-M514 PolarHBondContact O-N 3.44Å; M514-R516 VanDerWaalsContact C-N 3.26Å; M514-R516 PolarHBondContact O-N 2.64Å; M514-N517 WeakPolarHBondContact O-CB 3.31Å; M514-N517 PolarHBondContact O-N 2.8Å; M514-N517 VanDerWaalsContact O-N 3.08Å; M514-K520 HydrophobicContact CG-CD 4Å; M514-K520 HydrophobicContact SD-CD 4.35Å; M514-K520 PolarHBondContact SD-NZ 3.3Å; M514-W521 HydrophobicContact CG-CZ2 3.74Å; M514-W521 PolarHBondContact O-NE1 3.47Å; M514-W521 HydrophobicContact SD-CH2 4.12Å; M514-W521 HydrophobicContact SD-CZ2 3.9Å; M514-L533 HydrophobicContact CB-CD2 4.24Å; M514-L533 HydrophobicContact CG-CD2 4.39Å; M514-L533 HydrophobicContact SD-CD2 4.17Å; M514-K536 HydrophobicContact CE-CD 4.25Å; M514-K536 HydrophobicContact CE-CG 4.21Å
515	R	91.6	Very high	92.1	Very high	93 Å²	93	89.9 Å²	89.9	35%	0.351	45%	0.451	S	S	.	.	H	α-helix	trans	-57	-39.3	176	-175.3	-173.8	-70.5	-99.6	-7.3	111.8	V511 E512 N517 E530 L533	V511-R515 WeakPolarHBondContact O-CB 3.48Å; V511-R515 PolarHBondContact O-N 2.96Å; E512-R515 PolarHBondContact O-N 2.89Å; E512-R515 IonicContact OE2-NE 3.29Å; R515-N517 VanDerWaalsContact C-N 3.29Å; R515-N517 PolarHBondContact O-N 3.3Å; R515-E530 IonicContact CZ-OE1 2.74Å; R515-E530 IonicContact CZ-OE2 3.57Å; R515-E530 IonicContact NH1-OE1 2.66Å; R515-E530 PolarHBondContact NH1-OE1 3.28Å; R515-E530 IonicContact NH1-OE2 2.68Å; R515-E530 PolarHBondContact NH1-OE2 3.38Å; R515-E530 IonicContact NH2-OE1 2.68Å; R515-E530 IonicContact NH2-OE2 3.16Å; R515-E530 PolarHBondContact NH2-OE2 2.89Å; R515-L533 HydrophobicContact CB-CD1 3.86Å; R515-L533 HydrophobicContact CB-CD2 4.38Å; R515-L533 HydrophobicContact CG-CD1 3.89Å
516	R	92.4	Very high	91.8	Very high	171 Å²	171	95 Å²	95	65%	0.645	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-12	178.3	-66.9	174.2	-169.3	154.5	1	114.4	E512 I513 M514 E518	E512-R516 VanDerWaalsContact CG-CZ 3.5Å; E512-R516 VanDerWaalsContact CG-NH2 3.25Å; E512-R516 WeakPolarHBondContact O-CG 3.23Å; E512-R516 PolarHBondContact O-N 2.89Å; E512-R516 IonicContact OE1-CZ 3.52Å; E512-R516 IonicContact OE1-NE 3.36Å; E512-R516 PolarHBondContact OE1-NE 3.02Å; E512-R516 IonicContact OE1-NH2 2.62Å; E512-R516 PolarHBondContact OE1-NH2 3.32Å; I513-R516 PolarHBondContact O-N 2.74Å; M514-R516 VanDerWaalsContact C-N 3.26Å; M514-R516 PolarHBondContact O-N 2.64Å; R516-E518 VanDerWaalsContact C-N 3.3Å; R516-E518 PolarHBondContact O-N 2.98Å
517	N	91	Very high	91.4	Very high	77 Å²	77	93.9 Å²	93.9	41%	0.412	46%	0.46	S	S	.	.			trans	-79.9	77.7	178	-173	5.2	0	0	0	110.8	I513 M514 R515 K519 K520 W521	I513-N517 PolarHBondContact O-N 2.7Å; M514-N517 WeakPolarHBondContact O-CB 3.31Å; M514-N517 PolarHBondContact O-N 2.8Å; M514-N517 VanDerWaalsContact O-N 3.08Å; R515-N517 VanDerWaalsContact C-N 3.29Å; R515-N517 PolarHBondContact O-N 3.3Å; N517-K519 PolarHBondContact O-N 3.03Å; N517-K520 HydrophobicContact CB-CB 4.38Å; N517-K520 WeakPolarHBondContact O-CB 3.29Å; N517-K520 PolarHBondContact O-N 3.23Å; N517-W521 VanDerWaalsContact O-CD1 3.22Å
518	E	86.1	Confident	91.2	Very high	165 Å²	165	97.7 Å²	97.7	77%	0.771	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-51.7	-34.4	-177.6	-66.3	179.3	172.5	0	0	113.2	R516 K520 W521	R516-E518 VanDerWaalsContact C-N 3.3Å; R516-E518 PolarHBondContact O-N 2.98Å; E518-K520 PolarHBondContact O-N 3.03Å; E518-W521 PolarHBondContact O-N 2.83Å; E518-W521 VanDerWaalsContact O-N 3.13Å
519	K	90.6	Very high	90.9	Very high	178 Å²	178	95.9 Å²	95.9	77%	0.774	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-61.5	-30.7	178.6	-64.6	-176.6	-179.8	-179.4	0	113.1	N517 W521	N517-K519 PolarHBondContact O-N 3.03Å; K519-W521 VanDerWaalsContact C-N 3.31Å
520	K	89	Confident	90.6	Very high	96 Å²	96	95.5 Å²	95.5	42%	0.417	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-71.5	-28.9	179	-176.1	173.7	177.1	179.6	0	111.9	M514 N517 E518	M514-K520 HydrophobicContact CG-CD 4Å; M514-K520 HydrophobicContact SD-CD 4.35Å; M514-K520 PolarHBondContact SD-NZ 3.3Å; N517-K520 HydrophobicContact CB-CB 4.38Å; N517-K520 WeakPolarHBondContact O-CB 3.29Å; N517-K520 PolarHBondContact O-N 3.23Å; E518-K520 PolarHBondContact O-N 3.03Å
521	W	90.6	Very high	90.2	Very high	25 Å²	25	91 Å²	91	10%	0.095	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-103.6	11.7	-169.2	-52	118.4	0	0	0	113.6	M514 N517 E518 K519 G523 Y524 V529 E532 L533	M514-W521 HydrophobicContact CG-CZ2 3.74Å; M514-W521 PolarHBondContact O-NE1 3.47Å; M514-W521 HydrophobicContact SD-CH2 4.12Å; M514-W521 HydrophobicContact SD-CZ2 3.9Å; N517-W521 VanDerWaalsContact O-CD1 3.22Å; E518-W521 PolarHBondContact O-N 2.83Å; E518-W521 VanDerWaalsContact O-N 3.13Å; K519-W521 VanDerWaalsContact C-N 3.31Å; W521-G523 PolarHBondContact O-N 3.29Å; W521-Y524 HydrophobicContact CE3-CD1 4.3Å; W521-Y524 HydrophobicContact CE3-CD2 4.32Å; W521-Y524 HydrophobicContact CE3-CG 4.15Å; W521-Y524 PolarHBondContact O-N 2.79Å; W521-Y524 VanDerWaalsContact O-N 3.09Å; W521-V529 HydrophobicContact CB-CG2 4Å; W521-V529 HydrophobicContact CD2-CG1 3.96Å; W521-V529 HydrophobicContact CD2-CG2 3.93Å; W521-V529 HydrophobicContact CE3-CB 4.41Å; W521-V529 HydrophobicContact CE3-CG1 4.22Å; W521-V529 HydrophobicContact CE3-CG2 3.81Å; W521-V529 HydrophobicContact CG-CG1 4.32Å; W521-V529 HydrophobicContact CG-CG2 4.04Å; W521-V529 HydrophobicContact CZ2-CG1 4.33Å; W521-E532 HydrophobicContact CH2-CB 3.88Å; W521-E532 HydrophobicContact CZ3-CB 3.89Å; W521-E532 HydrophobicContact CZ3-CG 4.17Å; W521-L533 HydrophobicContact CH2-CD2 4.25Å; W521-L533 HydrophobicContact CZ2-CD2 3.78Å; W521-L533 HydrophobicContact CZ2-CG 4.32Å
522	I	89.9	Confident	90	Very high	138 Å²	138	94.5 Å²	94.5	71%	0.708	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	122.7	174.5	-61.4	174.9	0	0	0	108.6
523	G	91.3	Very high	89.9	Confident	80 Å²	80	91.3 Å²	91.3	83%	0.825	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	-8.5	-178.9	0	0	0	0	0	115.1	W521	W521-G523 PolarHBondContact O-N 3.29Å
524	Y	90.1	Very high	89.6	Confident	114 Å²	114	87.1 Å²	87.1	45%	0.447	42%	0.421	S	S	.	.			trans	-86.6	140.4	175.4	-74.1	-105.8	0	0	0	111.3	W521 E528 V529 E532	W521-Y524 HydrophobicContact CE3-CD1 4.3Å; W521-Y524 HydrophobicContact CE3-CD2 4.32Å; W521-Y524 HydrophobicContact CE3-CG 4.15Å; W521-Y524 PolarHBondContact O-N 2.79Å; W521-Y524 VanDerWaalsContact O-N 3.09Å; Y524-E528 HydrophobicContact CD1-CB 3.82Å; Y524-V529 HydrophobicContact CG-CG2 4.47Å; Y524-E532 HydrophobicContact CE1-CG 4.31Å
525	T	90.6	Very high	89.4	Confident	77 Å²	77	88.7 Å²	88.7	47%	0.472	43%	0.43	S	S	.	.			trans	-74	157.5	165.7	66.1	0	0	0	0	110.6	G527 E528 V529	T525-G527 PolarHBondContact O-N 3.38Å; T525-E528 WeakPolarHBondContact CB-OE2 3.43Å; T525-E528 WeakPolarHBondContact CG2-OE2 3.46Å; T525-E528 PolarHBondContact N-OE2 3.26Å; T525-E528 PolarHBondContact O-N 3.47Å; T525-E528 VanDerWaalsContact O-N 3.15Å; T525-E528 VanDerWaalsContact OG1-CD 3.25Å; T525-E528 VanDerWaalsContact OG1-CG 3.26Å; T525-E528 WeakPolarHBondContact OG1-CG 3.48Å; T525-E528 PolarHBondContact OG1-N 3.06Å; T525-E528 PolarHBondContact OG1-OE2 3.48Å; T525-V529 WeakPolarHBondContact O-CG2 3.2Å; T525-V529 PolarHBondContact O-N 3.49Å
526	R	87.5	Confident	89.3	Confident	208 Å²	208	88.1 Å²	88.1	79%	0.785	43%	0.43	S	S	*	.	H	α-helix	trans	-54.9	-38.4	176.4	-174.8	178.8	177.5	-173.2	-1.3	112.4	V529 E530	R526-V529 PolarHBondContact O-N 3.46Å; R526-E530 WeakPolarHBondContact O-CG 3.21Å; R526-E530 PolarHBondContact O-N 3.26Å; R526-E530 VanDerWaalsContact O-N 3.08Å
527	G	87.9	Confident	89.2	Confident	22 Å²	22	82.1 Å²	82.1	23%	0.227	41%	0.407	C	S	.	.	H	α-helix	trans	-66.4	-40.9	178.6	0	0	0	0	0	113.2	T525 E530 T531	T525-G527 PolarHBondContact O-N 3.38Å; G527-E530 PolarHBondContact O-N 3.2Å; G527-T531 WeakPolarHBondContact O-CB 3.38Å; G527-T531 PolarHBondContact O-N 3.06Å; G527-T531 PolarHBondContact O-OG1 3.1Å
528	E	89.6	Confident	88.9	Confident	94 Å²	94	79.9 Å²	79.9	44%	0.439	40%	0.396	S	S	.	.	H	α-helix	trans	-66.6	-41	175.9	-67.7	161.1	144.1	0	0	111.1	Y524 T525 E530 T531 E532	Y524-E528 HydrophobicContact CD1-CB 3.82Å; T525-E528 WeakPolarHBondContact CB-OE2 3.43Å; T525-E528 WeakPolarHBondContact CG2-OE2 3.46Å; T525-E528 PolarHBondContact N-OE2 3.26Å; T525-E528 PolarHBondContact O-N 3.47Å; T525-E528 VanDerWaalsContact O-N 3.15Å; T525-E528 VanDerWaalsContact OG1-CD 3.25Å; T525-E528 VanDerWaalsContact OG1-CG 3.26Å; T525-E528 WeakPolarHBondContact OG1-CG 3.48Å; T525-E528 PolarHBondContact OG1-N 3.06Å; T525-E528 PolarHBondContact OG1-OE2 3.48Å; E528-E530 PolarHBondContact O-N 3.27Å; E528-T531 WeakPolarHBondContact O-CB 3.41Å; E528-T531 PolarHBondContact O-N 3.22Å; E528-E532 WeakPolarHBondContact O-CG 3.36Å; E528-E532 PolarHBondContact O-N 2.91Å
529	V	89.3	Confident	88.7	Confident	19 Å²	19	78.7 Å²	78.7	12%	0.115	39%	0.39	C	S	.	.	H	α-helix	trans	-59.1	-49.2	174.9	178.3	0	0	0	0	111.1	W521 Y524 T525 R526 T531 E532 L533	W521-V529 HydrophobicContact CB-CG2 4Å; W521-V529 HydrophobicContact CD2-CG1 3.96Å; W521-V529 HydrophobicContact CD2-CG2 3.93Å; W521-V529 HydrophobicContact CE3-CB 4.41Å; W521-V529 HydrophobicContact CE3-CG1 4.22Å; W521-V529 HydrophobicContact CE3-CG2 3.81Å; W521-V529 HydrophobicContact CG-CG1 4.32Å; W521-V529 HydrophobicContact CG-CG2 4.04Å; W521-V529 HydrophobicContact CZ2-CG1 4.33Å; Y524-V529 HydrophobicContact CG-CG2 4.47Å; T525-V529 WeakPolarHBondContact O-CG2 3.2Å; T525-V529 PolarHBondContact O-N 3.49Å; R526-V529 PolarHBondContact O-N 3.46Å; V529-T531 VanDerWaalsContact C-N 3.28Å; V529-T531 PolarHBondContact O-N 3.28Å; V529-E532 PolarHBondContact O-N 2.86Å; V529-L533 HydrophobicContact CG1-CD1 3.83Å; V529-L533 HydrophobicContact CG1-CG 4.22Å; V529-L533 WeakPolarHBondContact O-CB 3.32Å; V529-L533 WeakPolarHBondContact O-CG 3.41Å; V529-L533 PolarHBondContact O-N 3.06Å
530	E	89.2	Confident	88.6	Confident	66 Å²	66	70.9 Å²	70.9	31%	0.308	36%	0.36	S	S	.	.	H	α-helix	trans	-62.3	-36.5	177.7	-64.9	-58.3	160.6	0	0	112.3	R515 R526 G527 E528 L533 M534	R515-E530 IonicContact CZ-OE1 2.74Å; R515-E530 IonicContact CZ-OE2 3.57Å; R515-E530 IonicContact NH1-OE1 2.66Å; R515-E530 PolarHBondContact NH1-OE1 3.28Å; R515-E530 IonicContact NH1-OE2 2.68Å; R515-E530 PolarHBondContact NH1-OE2 3.38Å; R515-E530 IonicContact NH2-OE1 2.68Å; R515-E530 IonicContact NH2-OE2 3.16Å; R515-E530 PolarHBondContact NH2-OE2 2.89Å; R526-E530 WeakPolarHBondContact O-CG 3.21Å; R526-E530 PolarHBondContact O-N 3.26Å; R526-E530 VanDerWaalsContact O-N 3.08Å; G527-E530 PolarHBondContact O-N 3.2Å; E528-E530 PolarHBondContact O-N 3.27Å; E530-L533 PolarHBondContact O-N 3.25Å; E530-M534 WeakPolarHBondContact O-CB 3.23Å; E530-M534 PolarHBondContact O-N 2.66Å
531	T	86.4	Confident	88.5	Confident	47 Å²	47	66.6 Å²	66.6	29%	0.288	34%	0.343	S	S	.	.	H	α-helix	trans	-63.2	-48.3	176.7	-58.1	0	0	0	0	111	P14 G527 E528 V529 M534 L535	P14-T531 HydrophobicContact CB-CG2 4.26Å; G527-T531 WeakPolarHBondContact O-CB 3.38Å; G527-T531 PolarHBondContact O-N 3.06Å; G527-T531 PolarHBondContact O-OG1 3.1Å; E528-T531 WeakPolarHBondContact O-CB 3.41Å; E528-T531 PolarHBondContact O-N 3.22Å; V529-T531 VanDerWaalsContact C-N 3.28Å; V529-T531 PolarHBondContact O-N 3.28Å; T531-M534 PolarHBondContact O-N 3Å; T531-L535 HydrophobicContact CG2-CD1 4.41Å; T531-L535 WeakPolarHBondContact O-CG 3.31Å; T531-L535 PolarHBondContact O-N 2.96Å
532	E	89.5	Confident	88.5	Confident	83 Å²	83	65.5 Å²	65.5	39%	0.388	34%	0.339	S	S	.	.	H	α-helix	trans	-61.4	-44.7	176.7	-73.9	-63.7	146.6	0	0	112.4	W521 Y524 E528 V529 M534 L535 K536	W521-E532 HydrophobicContact CH2-CB 3.88Å; W521-E532 HydrophobicContact CZ3-CB 3.89Å; W521-E532 HydrophobicContact CZ3-CG 4.17Å; Y524-E532 HydrophobicContact CE1-CG 4.31Å; E528-E532 WeakPolarHBondContact O-CG 3.36Å; E528-E532 PolarHBondContact O-N 2.91Å; V529-E532 PolarHBondContact O-N 2.86Å; E532-M534 VanDerWaalsContact C-N 3.3Å; E532-M534 PolarHBondContact O-N 2.9Å; E532-L535 PolarHBondContact O-N 3.43Å; E532-K536 PolarHBondContact O-N 2.99Å
533	L	90.7	Very high	88.5	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-63.8	-38.3	176.8	-67.7	177	0	0	0	111.4	V511 M514 R515 W521 V529 E530 K536 R537	V511-L533 HydrophobicContact CG1-CB 3.94Å; V511-L533 HydrophobicContact CG1-CD2 3.85Å; V511-L533 HydrophobicContact CG1-CG 4.31Å; M514-L533 HydrophobicContact CB-CD2 4.24Å; M514-L533 HydrophobicContact CG-CD2 4.39Å; M514-L533 HydrophobicContact SD-CD2 4.17Å; R515-L533 HydrophobicContact CB-CD1 3.86Å; R515-L533 HydrophobicContact CB-CD2 4.38Å; R515-L533 HydrophobicContact CG-CD1 3.89Å; W521-L533 HydrophobicContact CH2-CD2 4.25Å; W521-L533 HydrophobicContact CZ2-CD2 3.78Å; W521-L533 HydrophobicContact CZ2-CG 4.32Å; V529-L533 HydrophobicContact CG1-CD1 3.83Å; V529-L533 HydrophobicContact CG1-CG 4.22Å; V529-L533 WeakPolarHBondContact O-CB 3.32Å; V529-L533 WeakPolarHBondContact O-CG 3.41Å; V529-L533 PolarHBondContact O-N 3.06Å; E530-L533 PolarHBondContact O-N 3.25Å; L533-K536 WeakPolarHBondContact O-CB 3.46Å; L533-K536 PolarHBondContact O-N 2.91Å; L533-R537 WeakPolarHBondContact O-CG 3.22Å; L533-R537 PolarHBondContact O-N 3.17Å; L533-R537 VanDerWaalsContact O-N 3.12Å
534	M	87.5	Confident	88.5	Confident	29 Å²	29	57.6 Å²	57.6	14%	0.143	28%	0.279	C	S	.	.	H	α-helix	trans	-68.6	-44	177.1	-175.6	58.9	117.8	0	0	111.9	L16 E530 T531 E532 K536 R537 L538 L542 N591	L16-M534 HydrophobicContact CD1-CE 4.16Å; L16-M534 HydrophobicContact CD1-CG 3.59Å; L16-M534 HydrophobicContact CD2-CE 3.71Å; L16-M534 HydrophobicContact CD2-CG 3.61Å; L16-M534 HydrophobicContact CD2-SD 3.83Å; L16-M534 HydrophobicContact CG-CG 4.11Å; E530-M534 WeakPolarHBondContact O-CB 3.23Å; E530-M534 PolarHBondContact O-N 2.66Å; T531-M534 PolarHBondContact O-N 3Å; E532-M534 VanDerWaalsContact C-N 3.3Å; E532-M534 PolarHBondContact O-N 2.9Å; M534-K536 PolarHBondContact O-N 3.5Å; M534-R537 WeakPolarHBondContact O-CA 3.46Å; M534-R537 WeakPolarHBondContact O-CB 3.15Å; M534-R537 PolarHBondContact O-N 3.05Å; M534-L538 WeakPolarHBondContact O-CG 3.37Å; M534-L538 PolarHBondContact O-N 3.49Å; M534-L542 HydrophobicContact SD-CD2 4.38Å; M534-N591 WeakPolarHBondContact CE-ND2 3.25Å; M534-N591 WeakPolarHBondContact CE-OD1 3.29Å
535	L	87.1	Confident	88.8	Confident	79 Å²	79	52.3 Å²	52.3	41%	0.414	26%	0.259	S	S	.	.	H	α-helix	trans	-54.5	-42.5	172.1	-71.5	173.1	0	0	0	111	T531 E532 R537 L538 E539	T531-L535 HydrophobicContact CG2-CD1 4.41Å; T531-L535 WeakPolarHBondContact O-CG 3.31Å; T531-L535 PolarHBondContact O-N 2.96Å; E532-L535 PolarHBondContact O-N 3.43Å; L535-R537 VanDerWaalsContact C-N 3.32Å; L535-R537 PolarHBondContact O-N 3.43Å; L535-L538 PolarHBondContact O-N 2.99Å; L535-E539 WeakPolarHBondContact O-CG 3.39Å; L535-E539 PolarHBondContact O-N 3.45Å
536	K	89.2	Confident	89	Confident	80 Å²	80	48.8 Å²	48.8	35%	0.348	24%	0.237	S	C	.	.	H	α-helix	trans	-62.3	-35.8	175.7	-164.4	68.9	-132.2	156.5	0	113.3	V511 M514 E532 L533 M534 E539 G540	V511-K536 HydrophobicContact CG2-CB 4.12Å; V511-K536 HydrophobicContact CG2-CG 3.99Å; M514-K536 HydrophobicContact CE-CD 4.25Å; M514-K536 HydrophobicContact CE-CG 4.21Å; E532-K536 PolarHBondContact O-N 2.99Å; L533-K536 WeakPolarHBondContact O-CB 3.46Å; L533-K536 PolarHBondContact O-N 2.91Å; M534-K536 PolarHBondContact O-N 3.5Å; K536-E539 IonicContact NZ-OE2 3.96Å; K536-E539 PolarHBondContact NZ-OE2 3.3Å; K536-G540 PolarHBondContact O-N 2.88Å
537	R	89.4	Confident	89.4	Confident	45 Å²	45	39.9 Å²	39.9	17%	0.17	21%	0.205	C	C	.	.	H	α-helix	trans	-68.8	-41.9	174.9	-69	177.5	72.7	-135.8	-3.6	111.7	D508 V511 L533 M534 L535 G540 L542 E587	D508-R537 WeakPolarHBondContact OD1-CD 3.35Å; D508-R537 IonicContact OD1-CZ 2.72Å; D508-R537 IonicContact OD1-NE 2.73Å; D508-R537 PolarHBondContact OD1-NE 3.47Å; D508-R537 IonicContact OD1-NH2 3.81Å; V511-R537 HydrophobicContact CG1-CG 4.33Å; V511-R537 HydrophobicContact CG2-CG 3.86Å; L533-R537 WeakPolarHBondContact O-CG 3.22Å; L533-R537 PolarHBondContact O-N 3.17Å; L533-R537 VanDerWaalsContact O-N 3.12Å; M534-R537 WeakPolarHBondContact O-CA 3.46Å; M534-R537 WeakPolarHBondContact O-CB 3.15Å; M534-R537 PolarHBondContact O-N 3.05Å; L535-R537 VanDerWaalsContact C-N 3.32Å; L535-R537 PolarHBondContact O-N 3.43Å; R537-G540 CarbonylContact O-C 3.58Å; R537-G540 WeakPolarHBondContact O-CA 3.17Å; R537-G540 PolarHBondContact O-N 3.17Å; R537-G540 VanDerWaalsContact O-N 3.08Å; R537-L542 HydrophobicContact CB-CB 4.5Å; R537-L542 HydrophobicContact CB-CD2 4.05Å; R537-L542 VanDerWaalsContact O-CB 3.22Å; R537-L542 WeakPolarHBondContact O-CB 3.5Å; R537-L542 PolarHBondContact O-N 2.76Å; R537-E587 IonicContact CZ-OE1 3.55Å; R537-E587 IonicContact NH1-OE1 2.67Å; R537-E587 PolarHBondContact NH1-OE1 3.22Å; R537-E587 IonicContact NH2-OE1 3.6Å; R537-E587 PolarHBondContact NH2-OE1 3Å; R537-E587 IonicContact NH2-OE2 3.67Å; R537-E587 PolarHBondContact NH2-OE2 3.1Å
538	L	85.2	Confident	89.8	Confident	31 Å²	31	38.8 Å²	38.8	16%	0.162	19%	0.194	C	C	.	.	I	π-helix	trans	-62.3	-45.6	176.5	-62.4	175.9	0	0	0	111.9	L16 M534 L535 G540 L542 L543	L16-L538 HydrophobicContact CD2-CD1 3.62Å; L16-L538 HydrophobicContact CD2-CD2 3.64Å; L16-L538 HydrophobicContact CD2-CG 3.98Å; L16-L538 HydrophobicContact CG-CD1 4.04Å; M534-L538 WeakPolarHBondContact O-CG 3.37Å; M534-L538 PolarHBondContact O-N 3.49Å; L535-L538 PolarHBondContact O-N 2.99Å; L538-G540 PolarHBondContact O-N 3.11Å; L538-L542 HydrophobicContact CD2-CD2 4.22Å; L538-L543 HydrophobicContact CB-CD1 4.28Å; L538-L543 HydrophobicContact CB-CG 4.31Å; L538-L543 HydrophobicContact CD2-CD1 4.34Å; L538-L543 HydrophobicContact CD2-CD2 3.73Å; L538-L543 HydrophobicContact CD2-CG 3.69Å
539	E	82.9	Confident	90.2	Very high	140 Å²	140	34.3 Å²	34.3	65%	0.654	17%	0.174	S	C	*	.	I	π-helix	trans	-63.3	-26.7	172.6	-70.9	175.2	-178.6	0	0	112.7	L535 K536 G541	L535-E539 WeakPolarHBondContact O-CG 3.39Å; L535-E539 PolarHBondContact O-N 3.45Å; K536-E539 IonicContact NZ-OE2 3.96Å; K536-E539 PolarHBondContact NZ-OE2 3.3Å; E539-G541 VanDerWaalsContact C-N 3.34Å; E539-G541 PolarHBondContact O-N 2.87Å
540	G	87.2	Confident	90.5	Very high	13 Å²	13	33.7 Å²	33.7	13%	0.134	17%	0.17	C	C	.	.	I	π-helix	trans	-93.9	29.2	-177.3	0	0	0	0	0	114.5	I503 T507 K536 R537 L538	I503-G540 WeakPolarHBondContact CG2-O 3.13Å; T507-G540 WeakPolarHBondContact OG1-CA 3.23Å; T507-G540 PolarHBondContact OG1-O 3.22Å; K536-G540 PolarHBondContact O-N 2.88Å; R537-G540 CarbonylContact O-C 3.58Å; R537-G540 WeakPolarHBondContact O-CA 3.17Å; R537-G540 PolarHBondContact O-N 3.17Å; R537-G540 VanDerWaalsContact O-N 3.08Å; L538-G540 PolarHBondContact O-N 3.11Å
541	G	87.1	Confident	90.9	Very high	7 Å²	7	30.6 Å²	30.6	7%	0.072	16%	0.155	C	C	.	.	I	π-helix	trans	90.8	7.3	169.5	0	0	0	0	0	116.2	V504 E539 P544 L545	V504-G541 WeakPolarHBondContact CG2-O 3.42Å; E539-G541 VanDerWaalsContact C-N 3.34Å; E539-G541 PolarHBondContact O-N 2.87Å; G541-P544 WeakPolarHBondContact O-CD 3.48Å; G541-P544 WeakPolarHBondContact O-CG 3.42Å; G541-L545 PolarHBondContact O-N 3.01Å
542	L	91	Very high	91.5	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.142	C	C	.	.	I	π-helix	trans	-65.5	-39.4	178.3	179.9	61.5	0	0	0	112.4	V504 M534 R537 L538 L545 Q546	V504-L542 HydrophobicContact CG1-CD1 4.2Å; V504-L542 HydrophobicContact CG2-CB 4.26Å; V504-L542 HydrophobicContact CG2-CD1 4.47Å; M534-L542 HydrophobicContact SD-CD2 4.38Å; R537-L542 HydrophobicContact CB-CB 4.5Å; R537-L542 HydrophobicContact CB-CD2 4.05Å; R537-L542 VanDerWaalsContact O-CB 3.22Å; R537-L542 WeakPolarHBondContact O-CB 3.5Å; R537-L542 PolarHBondContact O-N 2.76Å; L538-L542 HydrophobicContact CD2-CD2 4.22Å; L542-L545 WeakPolarHBondContact O-CB 3.38Å; L542-L545 PolarHBondContact O-N 3.33Å; L542-Q546 HydrophobicContact CD1-CG 4.14Å; L542-Q546 HydrophobicContact CG-CG 4.31Å; L542-Q546 WeakPolarHBondContact O-CG 3.48Å; L542-Q546 PolarHBondContact O-N 2.9Å
543	L	89.7	Confident	91.9	Very high	49 Å²	49	24.4 Å²	24.4	26%	0.257	12%	0.123	S	C	.	.	H	α-helix	trans	-60.1	-55.3	-179.9	-74.5	174.7	0	0	0	113.1	L538 L545 Q546 V547	L538-L543 HydrophobicContact CB-CD1 4.28Å; L538-L543 HydrophobicContact CB-CG 4.31Å; L538-L543 HydrophobicContact CD2-CD1 4.34Å; L538-L543 HydrophobicContact CD2-CD2 3.73Å; L538-L543 HydrophobicContact CD2-CG 3.69Å; L543-L545 VanDerWaalsContact C-N 3.26Å; L543-L545 PolarHBondContact O-N 2.93Å; L543-Q546 PolarHBondContact O-N 2.93Å; L543-Q546 VanDerWaalsContact O-N 3.16Å; L543-V547 WeakPolarHBondContact O-CG2 3.38Å; L543-V547 PolarHBondContact O-N 3.2Å
544	P	92.7	Very high	92.2	Very high	4 Å²	4	24.5 Å²	24.5	3%	0.026	12%	0.124	C	C	.	.	H	α-helix	trans	-60	-35.2	177.2	19.1	-31	0	0	0	112.9	E456 I459 Y500 G541 V547 L548	E456-P544 HydrophobicContact CG-CB 4.05Å; E456-P544 HydrophobicContact CG-CG 4.15Å; I459-P544 HydrophobicContact CD1-CB 4.44Å; Y500-P544 HydrophobicContact CD1-CB 3.94Å; Y500-P544 HydrophobicContact CD1-CG 3.49Å; Y500-P544 VanDerWaalsContact CD1-CG 3.49Å; Y500-P544 HydrophobicContact CD2-CB 4.44Å; Y500-P544 HydrophobicContact CE1-CB 3.59Å; Y500-P544 HydrophobicContact CE1-CG 3.12Å; Y500-P544 HydrophobicContact CE2-CB 4.12Å; Y500-P544 HydrophobicContact CG-CB 4.35Å; Y500-P544 HydrophobicContact CG-CG 4.34Å; G541-P544 WeakPolarHBondContact O-CD 3.48Å; G541-P544 WeakPolarHBondContact O-CG 3.42Å; P544-V547 PolarHBondContact O-N 3.27Å; P544-L548 WeakPolarHBondContact O-CB 3.41Å; P544-L548 WeakPolarHBondContact O-CD1 3.48Å; P544-L548 WeakPolarHBondContact O-CG 3.42Å; P544-L548 PolarHBondContact O-N 3.1Å
545	L	95.7	Very high	92.7	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-60.2	-49.2	173	-175.5	60.2	0	0	0	111.8	H497 L501 V504 G541 L542 L543 V547 L548 D549 T584	H497-L545 WeakPolarHBondContact O-CD1 3.38Å; L501-L545 HydrophobicContact CB-CD1 4.23Å; L501-L545 HydrophobicContact CB-CD2 4.47Å; L501-L545 HydrophobicContact CD1-CD2 4.12Å; V504-L545 HydrophobicContact CB-CD2 4.11Å; V504-L545 HydrophobicContact CG1-CD2 4.41Å; V504-L545 HydrophobicContact CG2-CB 4.31Å; V504-L545 HydrophobicContact CG2-CD2 3.83Å; G541-L545 PolarHBondContact O-N 3.01Å; L542-L545 WeakPolarHBondContact O-CB 3.38Å; L542-L545 PolarHBondContact O-N 3.33Å; L543-L545 VanDerWaalsContact C-N 3.26Å; L543-L545 PolarHBondContact O-N 2.93Å; L545-V547 VanDerWaalsContact C-N 3.32Å; L545-V547 PolarHBondContact O-N 3.38Å; L545-L548 WeakPolarHBondContact O-CB 3.38Å; L545-L548 PolarHBondContact O-N 3.04Å; L545-D549 PolarHBondContact O-N 3.19Å; L545-T584 HydrophobicContact CD2-CG2 4.18Å; L545-T584 HydrophobicContact CG-CG2 3.95Å
546	Q	94.7	Very high	93.2	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.019	10%	0.098	C	C	.	.	H	α-helix	trans	-60.6	-42.1	178.1	-74	172.5	-19.7	0	0	111.9	L542 L543 D549 V550 T584 Y588	L542-Q546 HydrophobicContact CD1-CG 4.14Å; L542-Q546 HydrophobicContact CG-CG 4.31Å; L542-Q546 WeakPolarHBondContact O-CG 3.48Å; L542-Q546 PolarHBondContact O-N 2.9Å; L543-Q546 PolarHBondContact O-N 2.93Å; L543-Q546 VanDerWaalsContact O-N 3.16Å; Q546-D549 PolarHBondContact O-N 3.44Å; Q546-V550 VanDerWaalsContact O-CG2 3.31Å; Q546-V550 WeakPolarHBondContact O-CG2 3.43Å; Q546-V550 PolarHBondContact O-N 3.35Å; Q546-T584 HydrophobicContact CB-CG2 4.48Å; Q546-T584 HydrophobicContact CG-CG2 3.78Å; Q546-Y588 HydrophobicContact CB-CD2 4.03Å; Q546-Y588 HydrophobicContact CB-CG 4.37Å; Q546-Y588 HydrophobicContact CG-CD2 4.44Å
547	V	94.7	Very high	93.6	Very high	20 Å²	20	17 Å²	17	12%	0.121	9%	0.09	C	C	.	.	H	α-helix	trans	-66.1	-42.8	177.7	179.1	0	0	0	0	111.1	I459 S463 L543 P544 L545 D549 V550 I551	I459-V547 HydrophobicContact CG2-CB 3.99Å; I459-V547 HydrophobicContact CG2-CG1 3.59Å; S463-V547 VanDerWaalsContact CB-CG1 3.45Å; L543-V547 WeakPolarHBondContact O-CG2 3.38Å; L543-V547 PolarHBondContact O-N 3.2Å; P544-V547 PolarHBondContact O-N 3.27Å; L545-V547 VanDerWaalsContact C-N 3.32Å; L545-V547 PolarHBondContact O-N 3.38Å; V547-D549 VanDerWaalsContact C-N 3.31Å; V547-D549 PolarHBondContact O-N 3.36Å; V547-V550 PolarHBondContact O-N 3.4Å; V547-I551 HydrophobicContact CG1-CD1 4.19Å; V547-I551 VanDerWaalsContact O-CG1 3.28Å; V547-I551 WeakPolarHBondContact O-CG1 3.4Å; V547-I551 PolarHBondContact O-N 3.11Å
548	L	97.5	Very high	93.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58	-44	174.4	-75.4	163.4	0	0	0	111.5	I459 L493 L496 Y500 P544 L545 I551 I552	I459-L548 HydrophobicContact CD1-CD1 4Å; I459-L548 HydrophobicContact CD1-CD2 3.92Å; I459-L548 HydrophobicContact CD1-CG 4Å; I459-L548 HydrophobicContact CG1-CD2 3.9Å; I459-L548 HydrophobicContact CG1-CG 4.35Å; I459-L548 HydrophobicContact CG2-CD2 4.1Å; I459-L548 HydrophobicContact CG2-CG 3.98Å; L493-L548 HydrophobicContact CD1-CD2 3.59Å; L496-L548 HydrophobicContact CB-CD1 3.82Å; L496-L548 HydrophobicContact CB-CD2 3.84Å; L496-L548 HydrophobicContact CD1-CD2 4.11Å; Y500-L548 HydrophobicContact CD2-CD1 3.59Å; Y500-L548 HydrophobicContact CE2-CD1 4.23Å; Y500-L548 HydrophobicContact CG-CD1 4.25Å; P544-L548 WeakPolarHBondContact O-CB 3.41Å; P544-L548 WeakPolarHBondContact O-CD1 3.48Å; P544-L548 WeakPolarHBondContact O-CG 3.42Å; P544-L548 PolarHBondContact O-N 3.1Å; L545-L548 WeakPolarHBondContact O-CB 3.38Å; L545-L548 PolarHBondContact O-N 3.04Å; L548-I551 CarbonylContact O-C 3.54Å; L548-I551 WeakPolarHBondContact O-CA 3.22Å; L548-I551 WeakPolarHBondContact O-CB 3.36Å; L548-I551 PolarHBondContact O-N 3.2Å; L548-I551 VanDerWaalsContact O-N 3.13Å; L548-I552 WeakPolarHBondContact O-CG1 3.28Å; L548-I552 PolarHBondContact O-N 3.35Å
549	D	97.6	Very high	94.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-71.9	-34.8	-177.3	-70.9	5	0	0	0	112	H497 L545 Q546 V547 I551 I552 L553 V581 T584 V585	H497-D549 IonicContact CE1-OD1 3.56Å; H497-D549 PolarHBondContact CE1-OD1 2.72Å; H497-D549 IonicContact CE1-OD2 3.84Å; H497-D549 PolarHBondContact CE1-OD2 3.48Å; H497-D549 IonicContact CG-OD1 3.06Å; H497-D549 IonicContact ND1-OD1 2.97Å; H497-D549 PolarHBondContact ND1-OD1 3.24Å; H497-D549 IonicContact ND1-OD2 3.3Å; H497-D549 PolarHBondContact ND1-OD2 2.91Å; L545-D549 PolarHBondContact O-N 3.19Å; Q546-D549 PolarHBondContact O-N 3.44Å; V547-D549 VanDerWaalsContact C-N 3.31Å; V547-D549 PolarHBondContact O-N 3.36Å; D549-I551 VanDerWaalsContact C-N 3.33Å; D549-I552 WeakPolarHBondContact O-CB 3.49Å; D549-I552 PolarHBondContact O-N 3.18Å; D549-L553 WeakPolarHBondContact O-CD1 3.29Å; D549-L553 PolarHBondContact O-N 3.25Å; D549-V581 HydrophobicContact CB-CG1 3.8Å; D549-T584 HydrophobicContact CB-CG2 4.34Å; D549-T584 WeakPolarHBondContact OD2-CB 3.47Å; D549-T584 WeakPolarHBondContact OD2-CG2 3.46Å; D549-T584 PolarHBondContact OD2-OG1 3.38Å; D549-V585 HydrophobicContact CB-CG2 3.6Å
550	V	96.3	Very high	95	Very high	5 Å²	5	12.5 Å²	12.5	3%	0.03	8%	0.083	C	C	.	.	H	α-helix	trans	-63.2	-39.6	168.4	171.4	0	0	0	0	111	Q546 V547 L553 D554 V585 Y588 V608	Q546-V550 VanDerWaalsContact O-CG2 3.31Å; Q546-V550 WeakPolarHBondContact O-CG2 3.43Å; Q546-V550 PolarHBondContact O-N 3.35Å; V547-V550 PolarHBondContact O-N 3.4Å; V550-L553 PolarHBondContact O-N 3.08Å; V550-D554 WeakPolarHBondContact O-CB 3.33Å; V550-D554 PolarHBondContact O-N 2.89Å; V550-V585 HydrophobicContact CG2-CG1 4.26Å; V550-V585 HydrophobicContact CG2-CG2 4.26Å; V550-Y588 HydrophobicContact CG2-CD1 4.19Å; V550-Y588 HydrophobicContact CG2-CE1 4.46Å; V550-V608 HydrophobicContact CG1-CG2 4.4Å; V550-V608 HydrophobicContact CG2-CG1 4.11Å
551	I	97.9	Very high	95.3	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-60.9	-47.2	173.3	-68.4	164.8	0	0	0	110	I459 I462 L466 F482 L493 V547 L548 D549 L553 D554 V555	I459-I551 HydrophobicContact CG2-CD1 4.08Å; I462-I551 HydrophobicContact CB-CD1 4.43Å; I462-I551 HydrophobicContact CG2-CD1 4.11Å; I462-I551 HydrophobicContact CG2-CG2 4.49Å; L466-I551 HydrophobicContact CD1-CB 4.33Å; L466-I551 HydrophobicContact CD1-CG1 4.17Å; L466-I551 HydrophobicContact CD1-CG2 3.76Å; F482-I551 HydrophobicContact CZ-CG2 4.13Å; L493-I551 HydrophobicContact CD1-CB 4.26Å; L493-I551 HydrophobicContact CD1-CG2 3.83Å; L493-I551 HydrophobicContact CD2-CG2 3.89Å; V547-I551 HydrophobicContact CG1-CD1 4.19Å; V547-I551 VanDerWaalsContact O-CG1 3.28Å; V547-I551 WeakPolarHBondContact O-CG1 3.4Å; V547-I551 PolarHBondContact O-N 3.11Å; L548-I551 CarbonylContact O-C 3.54Å; L548-I551 WeakPolarHBondContact O-CA 3.22Å; L548-I551 WeakPolarHBondContact O-CB 3.36Å; L548-I551 PolarHBondContact O-N 3.2Å; L548-I551 VanDerWaalsContact O-N 3.13Å; D549-I551 VanDerWaalsContact C-N 3.33Å; I551-L553 VanDerWaalsContact C-N 3.32Å; I551-L553 PolarHBondContact O-N 3.03Å; I551-D554 PolarHBondContact O-N 3.49Å; I551-V555 HydrophobicContact CG2-CG1 4.14Å; I551-V555 WeakPolarHBondContact O-CG1 3.48Å; I551-V555 WeakPolarHBondContact O-CG2 3.43Å; I551-V555 PolarHBondContact O-N 3.27Å
552	I	98.2	Very high	95.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-53.9	-49.3	178	-69.4	168.7	0	0	0	110.5	L493 I494 H497 L548 D549 V555 C556 V567 V581	L493-I552 HydrophobicContact CD1-CG1 4.28Å; L493-I552 HydrophobicContact CD2-CB 4.36Å; L493-I552 HydrophobicContact CD2-CG1 3.5Å; L493-I552 VanDerWaalsContact CD2-CG1 3.5Å; L493-I552 HydrophobicContact CG-CD1 4.38Å; L493-I552 HydrophobicContact CG-CG1 3.67Å; I494-I552 HydrophobicContact CD1-CD1 3.77Å; I494-I552 HydrophobicContact CD1-CG1 4.29Å; H497-I552 HydrophobicContact CB-CD1 4.13Å; L548-I552 WeakPolarHBondContact O-CG1 3.28Å; L548-I552 PolarHBondContact O-N 3.35Å; D549-I552 WeakPolarHBondContact O-CB 3.49Å; D549-I552 PolarHBondContact O-N 3.18Å; I552-V555 WeakPolarHBondContact O-CG2 3.47Å; I552-C556 WeakPolarHBondContact O-CB 3.45Å; I552-C556 PolarHBondContact O-N 2.86Å; I552-C556 VanDerWaalsContact O-N 3.08Å; I552-C556 PolarHBondContact O-SG 3.4Å; I552-V567 HydrophobicContact CG2-CG1 4.03Å; I552-V567 HydrophobicContact CG2-CG2 4.4Å; I552-V581 HydrophobicContact CB-CG1 4.48Å; I552-V581 HydrophobicContact CD1-CG1 4.44Å; I552-V581 HydrophobicContact CG2-CG1 4.27Å
553	L	97.9	Very high	96.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.6	-47.2	177.3	-93.7	61.9	0	0	0	111.9	D549 V550 I551 V555 C556 V557 V581 V585 L612 F615	D549-L553 WeakPolarHBondContact O-CD1 3.29Å; D549-L553 PolarHBondContact O-N 3.25Å; V550-L553 PolarHBondContact O-N 3.08Å; I551-L553 VanDerWaalsContact C-N 3.32Å; I551-L553 PolarHBondContact O-N 3.03Å; L553-V555 PolarHBondContact O-N 3.46Å; L553-C556 PolarHBondContact O-N 3.15Å; L553-V557 WeakPolarHBondContact O-CB 3.37Å; L553-V557 VanDerWaalsContact O-CG2 3.25Å; L553-V557 WeakPolarHBondContact O-CG2 3.4Å; L553-V557 PolarHBondContact O-N 3.5Å; L553-V581 HydrophobicContact CD1-CG1 3.7Å; L553-V585 HydrophobicContact CD1-CG2 4.29Å; L553-V585 HydrophobicContact CD2-CB 4.23Å; L553-V585 HydrophobicContact CD2-CG1 3.91Å; L553-V585 HydrophobicContact CD2-CG2 4.03Å; L553-L612 HydrophobicContact CD2-CB 4.43Å; L553-L612 HydrophobicContact CD2-CD1 3.98Å; L553-F615 HydrophobicContact CB-CD2 4.44Å; L553-F615 HydrophobicContact CD1-CD1 4.3Å; L553-F615 HydrophobicContact CD1-CD2 4.15Å; L553-F615 HydrophobicContact CD1-CE1 4.35Å; L553-F615 HydrophobicContact CD1-CE2 4.23Å; L553-F615 HydrophobicContact CD1-CG 4.17Å; L553-F615 HydrophobicContact CD1-CZ 4.33Å; L553-F615 HydrophobicContact CD2-CB 4.4Å; L553-F615 HydrophobicContact CG-CB 3.95Å; L553-F615 HydrophobicContact CG-CD1 4.33Å; L553-F615 HydrophobicContact CG-CD2 3.88Å; L553-F615 HydrophobicContact CG-CE2 4.44Å; L553-F615 HydrophobicContact CG-CG 3.8Å
554	D	97.1	Very high	96.5	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-61.6	-44.9	-177.8	-158.6	-30.6	0	0	0	111.4	K475 V550 I551 N558 R607 L611	K475-D554 IonicContact NZ-OD1 3.86Å; K475-D554 PolarHBondContact NZ-OD1 3.45Å; K475-D554 IonicContact NZ-OD2 3.55Å; V550-D554 WeakPolarHBondContact O-CB 3.33Å; V550-D554 PolarHBondContact O-N 2.89Å; I551-D554 PolarHBondContact O-N 3.49Å; D554-N558 WeakPolarHBondContact O-CB 3.22Å; D554-N558 PolarHBondContact O-N 2.64Å; D554-N558 PolarHBondContact O-ND2 3.46Å; D554-N558 PolarHBondContact OD1-ND2 3.31Å; D554-R607 IonicContact OD2-NH1 3.71Å; D554-R607 PolarHBondContact OD2-NH1 2.96Å; D554-L611 HydrophobicContact CB-CD1 4.17Å
555	V	97.9	Very high	96.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-71.6	-31.1	179.8	-58.4	0	0	0	0	113.1	L466 L479 F482 L493 I551 I552 L553 G559 I563	L466-V555 HydrophobicContact CD1-CG1 3.83Å; L466-V555 HydrophobicContact CD2-CG1 4.19Å; L479-V555 HydrophobicContact CD2-CB 4.44Å; L479-V555 HydrophobicContact CD2-CG1 4.27Å; F482-V555 HydrophobicContact CD1-CG1 4.27Å; F482-V555 HydrophobicContact CD2-CG1 3.72Å; F482-V555 HydrophobicContact CE1-CG1 4.2Å; F482-V555 HydrophobicContact CE2-CG1 3.65Å; F482-V555 HydrophobicContact CG-CB 4.48Å; F482-V555 HydrophobicContact CG-CG1 4.04Å; F482-V555 HydrophobicContact CZ-CG1 3.89Å; L493-V555 HydrophobicContact CD2-CG2 4.22Å; I551-V555 HydrophobicContact CG2-CG1 4.14Å; I551-V555 WeakPolarHBondContact O-CG1 3.48Å; I551-V555 WeakPolarHBondContact O-CG2 3.43Å; I551-V555 PolarHBondContact O-N 3.27Å; I552-V555 WeakPolarHBondContact O-CG2 3.47Å; L553-V555 PolarHBondContact O-N 3.46Å; V555-G559 WeakPolarHBondContact O-CA 3.49Å; V555-G559 PolarHBondContact O-N 3.08Å; V555-I563 HydrophobicContact CB-CG2 4.36Å; V555-I563 HydrophobicContact CG2-CG2 3.84Å
556	C	97.6	Very high	96.7	Very high	4 Å²	4	26.7 Å²	26.7	3%	0.027	15%	0.153	C	C	.	.	H	α-helix	trans	-75.5	-38.5	176.1	-69.1	0	0	0	0	112.1	I552 L553 L564 F615	I552-C556 WeakPolarHBondContact O-CB 3.45Å; I552-C556 PolarHBondContact O-N 2.86Å; I552-C556 VanDerWaalsContact O-N 3.08Å; I552-C556 PolarHBondContact O-SG 3.4Å; L553-C556 PolarHBondContact O-N 3.15Å; C556-L564 HydrophobicContact CB-CB 4.34Å; C556-L564 HydrophobicContact CB-CD1 4.29Å; C556-F615 HydrophobicContact CB-CD2 3.77Å; C556-F615 HydrophobicContact CB-CE2 3.51Å
557	V	96.7	Very high	96.8	Very high	27 Å²	27	26.6 Å²	26.6	16%	0.164	15%	0.153	C	C	.	.	H	α-helix	trans	-76.2	-42.2	-178.9	171	0	0	0	0	111.8	L553 L611 K614 F615 L618	L553-V557 WeakPolarHBondContact O-CB 3.37Å; L553-V557 VanDerWaalsContact O-CG2 3.25Å; L553-V557 WeakPolarHBondContact O-CG2 3.4Å; L553-V557 PolarHBondContact O-N 3.5Å; V557-L611 HydrophobicContact CB-CD2 3.98Å; V557-L611 HydrophobicContact CG1-CD2 3.98Å; V557-L611 HydrophobicContact CG2-CD2 4.3Å; V557-K614 HydrophobicContact CG1-CB 3.69Å; V557-K614 HydrophobicContact CG1-CD 3.67Å; V557-K614 HydrophobicContact CG1-CG 4.33Å; V557-K614 HydrophobicContact CG2-CB 3.97Å; V557-F615 HydrophobicContact CG2-CB 3.84Å; V557-F615 HydrophobicContact CG2-CD2 4.26Å; V557-L618 HydrophobicContact CG2-CD1 4.14Å
558	N	96.1	Very high	96.9	Very high	67 Å²	67	28.4 Å²	28.4	36%	0.358	16%	0.161	S	C	.	.	H	α-helix	trans	-102.6	-15.2	-173.3	-61.2	-58.1	0	0	0	113.8	L479 D554	L479-N558 HydrophobicContact CD1-CB 4.04Å; L479-N558 WeakPolarHBondContact CD1-O 3.46Å; L479-N558 HydrophobicContact CD2-CB 4.41Å; D554-N558 WeakPolarHBondContact O-CB 3.22Å; D554-N558 PolarHBondContact O-N 2.64Å; D554-N558 PolarHBondContact O-ND2 3.46Å; D554-N558 PolarHBondContact OD1-ND2 3.31Å
559	G	95.1	Very high	96.8	Very high	21 Å²	21	33.2 Å²	33.2	22%	0.216	18%	0.184	C	C	.	.	S	Bend	trans	-90.2	-163	-179.4	0	0	0	0	0	113.9	V555	V555-G559 WeakPolarHBondContact O-CA 3.49Å; V555-G559 PolarHBondContact O-N 3.08Å
560	A	95.6	Very high	96.8	Very high	32 Å²	32	34.8 Å²	34.8	26%	0.264	19%	0.192	S	C	.	.			trans	-71	142.5	178.4	0	0	0	0	0	111.1	V483 T562 I563	V483-A560 HydrophobicContact CG2-CB 3.84Å; A560-T562 PolarHBondContact O-N 2.99Å; A560-I563 HydrophobicContact CB-CD1 4.49Å; A560-I563 HydrophobicContact CB-CG1 4.47Å; A560-I563 VanDerWaalsContact O-CB 3.28Å; A560-I563 WeakPolarHBondContact O-CB 3.4Å; A560-I563 WeakPolarHBondContact O-CG1 3.39Å; A560-I563 PolarHBondContact O-N 3.08Å
561	P	95.3	Very high	96.8	Very high	105 Å²	105	34.6 Å²	34.6	68%	0.682	19%	0.191	S	C	*	.	H	α-helix	trans	-55	-30.6	179.2	-27.4	34.5	0	0	0	114.3	I563 L564 E565	P561-I563 PolarHBondContact O-N 3.13Å; P561-I563 VanDerWaalsContact O-N 3.17Å; P561-L564 PolarHBondContact O-N 3.39Å; P561-L564 VanDerWaalsContact O-N 3.1Å; P561-E565 PolarHBondContact O-N 3.41Å
562	T	96.9	Very high	96.6	Very high	58 Å²	58	42.6 Å²	42.6	36%	0.356	23%	0.225	S	C	.	.	H	α-helix	trans	-59.4	-23.9	175.5	52.7	0	0	0	0	113.7	H487 A560 R566	H487-T562 WeakPolarHBondContact NE2-CB 3.21Å; H487-T562 PolarHBondContact NE2-OG1 3.22Å; A560-T562 PolarHBondContact O-N 2.99Å; T562-R566 WeakPolarHBondContact O-CB 3.29Å; T562-R566 PolarHBondContact O-N 3.25Å
563	I	97.3	Very high	96.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.4	-45.9	175.2	-63.5	172.7	0	0	0	110	F482 V483 V490 V555 A560 P561 R566 V567	F482-I563 HydrophobicContact CB-CD1 4.02Å; V483-I563 HydrophobicContact CG2-CD1 4.07Å; V483-I563 HydrophobicContact CG2-CG1 4.22Å; V490-I563 HydrophobicContact CG2-CG2 3.97Å; V555-I563 HydrophobicContact CB-CG2 4.36Å; V555-I563 HydrophobicContact CG2-CG2 3.84Å; A560-I563 HydrophobicContact CB-CD1 4.49Å; A560-I563 HydrophobicContact CB-CG1 4.47Å; A560-I563 VanDerWaalsContact O-CB 3.28Å; A560-I563 WeakPolarHBondContact O-CB 3.4Å; A560-I563 WeakPolarHBondContact O-CG1 3.39Å; A560-I563 PolarHBondContact O-N 3.08Å; P561-I563 PolarHBondContact O-N 3.13Å; P561-I563 VanDerWaalsContact O-N 3.17Å; I563-R566 PolarHBondContact O-N 3Å; I563-V567 HydrophobicContact CG2-CG2 4.44Å; I563-V567 WeakPolarHBondContact O-CG2 3.45Å; I563-V567 PolarHBondContact O-N 3.33Å
564	L	96.9	Very high	96.2	Very high	19 Å²	19	57.1 Å²	57.1	10%	0.099	29%	0.287	C	S	.	.	H	α-helix	trans	-62.1	-46.3	178.3	177.3	62.4	0	0	0	110.7	C556 P561 R566 V567 L568 F615 L618 L619	C556-L564 HydrophobicContact CB-CB 4.34Å; C556-L564 HydrophobicContact CB-CD1 4.29Å; P561-L564 PolarHBondContact O-N 3.39Å; P561-L564 VanDerWaalsContact O-N 3.1Å; L564-R566 VanDerWaalsContact C-N 3.27Å; L564-R566 PolarHBondContact O-N 2.71Å; L564-V567 PolarHBondContact O-N 2.93Å; L564-L568 HydrophobicContact CD1-CD1 4.12Å; L564-L568 HydrophobicContact CD1-CD2 4.38Å; L564-L568 HydrophobicContact CD1-CG 3.99Å; L564-L568 HydrophobicContact CG-CD1 4.03Å; L564-L568 HydrophobicContact CG-CG 4.3Å; L564-L568 WeakPolarHBondContact O-CB 3.34Å; L564-L568 VanDerWaalsContact O-CG 3.27Å; L564-L568 WeakPolarHBondContact O-CG 3.4Å; L564-L568 PolarHBondContact O-N 3.41Å; L564-F615 HydrophobicContact CD1-CE2 3.84Å; L564-F615 HydrophobicContact CD1-CZ 3.98Å; L564-L618 HydrophobicContact CD2-CB 3.77Å; L564-L619 HydrophobicContact CD1-CD2 4.22Å
565	E	96	Very high	95.9	Very high	132 Å²	132	62.5 Å²	62.5	62%	0.617	33%	0.325	S	S	*	.	H	α-helix	trans	-54.8	-44.4	175.8	-65	177	179.8	0	0	111.6	P561 H569	P561-E565 PolarHBondContact O-N 3.41Å; E565-H569 VanDerWaalsContact O-CB 3.32Å; E565-H569 WeakPolarHBondContact O-CB 3.48Å; E565-H569 PolarHBondContact O-N 3.44Å
566	R	97	Very high	95.6	Very high	61 Å²	61	64 Å²	64	23%	0.23	33%	0.333	C	S	.	.	H	α-helix	trans	-65.3	-46.1	177.3	-173.4	62	172.1	-143.7	-4.9	112.1	D486 H487 V490 D491 T562 I563 L564 L568 H569 L570	D486-R566 IonicContact OD2-NH1 3.55Å; H487-R566 HydrophobicContact CB-CB 4.46Å; H487-R566 HydrophobicContact CB-CG 3.95Å; V490-R566 HydrophobicContact CB-CG 4.35Å; V490-R566 HydrophobicContact CG1-CB 4.35Å; V490-R566 HydrophobicContact CG1-CG 4.04Å; D491-R566 IonicContact OD1-CZ 3.79Å; D491-R566 VanDerWaalsContact OD1-CZ 3.25Å; D491-R566 IonicContact OD1-NE 2.8Å; D491-R566 PolarHBondContact OD1-NE 3.45Å; D491-R566 IonicContact OD1-NH2 2.85Å; D491-R566 PolarHBondContact OD1-NH2 3.15Å; D491-R566 IonicContact OD2-CZ 3.68Å; D491-R566 IonicContact OD2-NH2 2.74Å; D491-R566 PolarHBondContact OD2-NH2 2.96Å; T562-R566 WeakPolarHBondContact O-CB 3.29Å; T562-R566 PolarHBondContact O-N 3.25Å; I563-R566 PolarHBondContact O-N 3Å; L564-R566 VanDerWaalsContact C-N 3.27Å; L564-R566 PolarHBondContact O-N 2.71Å; R566-L568 PolarHBondContact O-N 3.37Å; R566-H569 PolarHBondContact O-N 3.34Å; R566-L570 HydrophobicContact CG-CD1 3.98Å; R566-L570 HydrophobicContact CG-CG 4.41Å; R566-L570 VanDerWaalsContact O-CG 3.26Å; R566-L570 WeakPolarHBondContact O-CG 3.35Å; R566-L570 PolarHBondContact O-N 3.23Å
567	V	97.4	Very high	95.4	Very high	1 Å²	1	66.9 Å²	66.9	1%	0.006	35%	0.353	C	S	.	.	H	α-helix	trans	-57.6	-49.5	176.9	166.6	0	0	0	0	110.8	V490 I494 I552 I563 L564 H569 L570 L571	V490-V567 HydrophobicContact CG1-CG2 3.52Å; I494-V567 HydrophobicContact CD1-CG1 4.08Å; I494-V567 HydrophobicContact CD1-CG2 4.25Å; I552-V567 HydrophobicContact CG2-CG1 4.03Å; I552-V567 HydrophobicContact CG2-CG2 4.4Å; I563-V567 HydrophobicContact CG2-CG2 4.44Å; I563-V567 WeakPolarHBondContact O-CG2 3.45Å; I563-V567 PolarHBondContact O-N 3.33Å; L564-V567 PolarHBondContact O-N 2.93Å; V567-H569 VanDerWaalsContact C-N 3.34Å; V567-H569 PolarHBondContact O-N 3.37Å; V567-L570 PolarHBondContact O-N 3.4Å; V567-L571 HydrophobicContact CG1-CD1 3.81Å; V567-L571 HydrophobicContact CG1-CG 4.39Å; V567-L571 WeakPolarHBondContact O-CB 3.43Å; V567-L571 WeakPolarHBondContact O-CG 3.44Å; V567-L571 PolarHBondContact O-N 2.9Å
568	L	96.6	Very high	95.2	Very high	58 Å²	58	66.8 Å²	66.8	30%	0.304	35%	0.353	S	S	.	.	H	α-helix	trans	-62.1	-41.6	179	-66.2	-179.3	0	0	0	111.9	L564 R566 K572 V578 L619	L564-L568 HydrophobicContact CD1-CD1 4.12Å; L564-L568 HydrophobicContact CD1-CD2 4.38Å; L564-L568 HydrophobicContact CD1-CG 3.99Å; L564-L568 HydrophobicContact CG-CD1 4.03Å; L564-L568 HydrophobicContact CG-CG 4.3Å; L564-L568 WeakPolarHBondContact O-CB 3.34Å; L564-L568 VanDerWaalsContact O-CG 3.27Å; L564-L568 WeakPolarHBondContact O-CG 3.4Å; L564-L568 PolarHBondContact O-N 3.41Å; R566-L568 PolarHBondContact O-N 3.37Å; L568-K572 VanDerWaalsContact O-CB 3.25Å; L568-K572 WeakPolarHBondContact O-CB 3.26Å; L568-K572 PolarHBondContact O-N 3.39Å; L568-V578 HydrophobicContact CD2-CG1 4.38Å; L568-V578 HydrophobicContact CD2-CG2 3.35Å; L568-L619 HydrophobicContact CD1-CD2 4.25Å; L568-L619 HydrophobicContact CD2-CD2 3.75Å
569	H	96.1	Very high	95	Very high	102 Å²	102	68 Å²	68	47%	0.472	36%	0.359	S	S	.	.	H	α-helix	trans	-61.1	-48.3	176	-178.5	72.3	0	0	0	111.9	E565 R566 V567 K572 M573	E565-H569 VanDerWaalsContact O-CB 3.32Å; E565-H569 WeakPolarHBondContact O-CB 3.48Å; E565-H569 PolarHBondContact O-N 3.44Å; R566-H569 PolarHBondContact O-N 3.34Å; V567-H569 VanDerWaalsContact C-N 3.34Å; V567-H569 PolarHBondContact O-N 3.37Å; H569-K572 PolarHBondContact O-N 3.46Å; H569-M573 WeakPolarHBondContact O-CB 3.37Å; H569-M573 VanDerWaalsContact O-CG 3.27Å; H569-M573 WeakPolarHBondContact O-CG 3.43Å; H569-M573 PolarHBondContact O-N 2.91Å
570	L	96.5	Very high	95	Very high	33 Å²	33	68.5 Å²	68.5	17%	0.173	36%	0.359	C	S	.	.	H	α-helix	trans	-64.7	-44.5	-179.2	-69	167.9	0	0	0	112.5	V490 D491 I494 R566 V567 K572 M573 R574	V490-L570 HydrophobicContact CG1-CD1 4.32Å; D491-L570 VanDerWaalsContact OD1-CD1 3.31Å; D491-L570 WeakPolarHBondContact OD1-CD1 3.44Å; I494-L570 HydrophobicContact CB-CB 4.4Å; I494-L570 HydrophobicContact CB-CD1 4.05Å; I494-L570 HydrophobicContact CG1-CB 4.22Å; I494-L570 HydrophobicContact CG1-CD1 3.69Å; I494-L570 HydrophobicContact CG2-CB 4.04Å; R566-L570 HydrophobicContact CG-CD1 3.98Å; R566-L570 HydrophobicContact CG-CG 4.41Å; R566-L570 VanDerWaalsContact O-CG 3.26Å; R566-L570 WeakPolarHBondContact O-CG 3.35Å; R566-L570 PolarHBondContact O-N 3.23Å; V567-L570 PolarHBondContact O-N 3.4Å; L570-K572 VanDerWaalsContact C-N 3.34Å; L570-K572 PolarHBondContact O-N 2.91Å; L570-M573 PolarHBondContact O-N 3.01Å; L570-R574 WeakPolarHBondContact O-CG 3.46Å; L570-R574 PolarHBondContact O-N 3Å; L570-R574 VanDerWaalsContact O-N 3.1Å
571	L	95.9	Very high	94.9	Very high	1 Å²	1	67 Å²	67	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-62.1	-43.4	177.2	-70.3	175.7	0	0	0	111.1	I494 V567 M573 R574 S575 I576 V578 V581	I494-L571 HydrophobicContact CD1-CD2 4.43Å; I494-L571 HydrophobicContact CG2-CD2 4.21Å; V567-L571 HydrophobicContact CG1-CD1 3.81Å; V567-L571 HydrophobicContact CG1-CG 4.39Å; V567-L571 WeakPolarHBondContact O-CB 3.43Å; V567-L571 WeakPolarHBondContact O-CG 3.44Å; V567-L571 PolarHBondContact O-N 2.9Å; L571-M573 PolarHBondContact O-N 3.2Å; L571-R574 CarbonylContact O-C 3.49Å; L571-R574 PolarHBondContact O-N 3.42Å; L571-S575 PolarHBondContact O-N 2.94Å; L571-S575 VanDerWaalsContact O-N 3.11Å; L571-I576 CarbonylContact C-O 3.57Å; L571-I576 HydrophobicContact CD2-CB 4.19Å; L571-I576 HydrophobicContact CD2-CG2 4.05Å; L571-I576 PolarHBondContact O-N 3.38Å; L571-V578 HydrophobicContact CD1-CB 4.48Å; L571-V578 HydrophobicContact CD1-CG2 3.93Å; L571-V581 HydrophobicContact CD1-CG2 4.27Å
572	K	94.8	Very high	95	Very high	169 Å²	169	62.6 Å²	62.6	74%	0.735	32%	0.318	S	S	*	.	H	α-helix	trans	-61.7	-44.1	175.4	-175.7	177.3	-179.5	178.2	0	112.2	L568 H569 L570 R574 S575	L568-K572 VanDerWaalsContact O-CB 3.25Å; L568-K572 WeakPolarHBondContact O-CB 3.26Å; L568-K572 PolarHBondContact O-N 3.39Å; H569-K572 PolarHBondContact O-N 3.46Å; L570-K572 VanDerWaalsContact C-N 3.34Å; L570-K572 PolarHBondContact O-N 2.91Å; K572-R574 PolarHBondContact O-N 3.31Å; K572-S575 PolarHBondContact O-N 3.02Å; K572-S575 VanDerWaalsContact O-N 3.1Å
573	M	94.1	Very high	94.9	Very high	130 Å²	130	65 Å²	65	64%	0.64	33%	0.328	S	S	*	.	H	α-helix	trans	-62.7	-26.5	177.4	-75.6	-62.6	-65.2	0	0	113	H569 L570 L571	H569-M573 WeakPolarHBondContact O-CB 3.37Å; H569-M573 VanDerWaalsContact O-CG 3.27Å; H569-M573 WeakPolarHBondContact O-CG 3.43Å; H569-M573 PolarHBondContact O-N 2.91Å; L570-M573 PolarHBondContact O-N 3.01Å; L571-M573 PolarHBondContact O-N 3.2Å
574	R	92.7	Very high	94.7	Very high	176 Å²	176	65.6 Å²	65.6	66%	0.664	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	5.7	177.5	-62.4	-70.5	-170.1	-153.1	1.2	113.3	L498 L570 L571 K572 I576	L498-R574 HydrophobicContact CD1-CB 4.3Å; L498-R574 HydrophobicContact CD1-CG 3.8Å; L498-R574 HydrophobicContact CD2-CB 4.48Å; L570-R574 WeakPolarHBondContact O-CG 3.46Å; L570-R574 PolarHBondContact O-N 3Å; L570-R574 VanDerWaalsContact O-N 3.1Å; L571-R574 CarbonylContact O-C 3.49Å; L571-R574 PolarHBondContact O-N 3.42Å; K572-R574 PolarHBondContact O-N 3.31Å; R574-I576 HydrophobicContact CB-CG1 4.25Å; R574-I576 PolarHBondContact O-N 2.9Å
575	S	91.7	Very high	94.6	Very high	116 Å²	116	64.7 Å²	64.7	81%	0.811	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	30.8	-177	-56.4	0	0	0	0	113.9	L571 K572	L571-S575 PolarHBondContact O-N 2.94Å; L571-S575 VanDerWaalsContact O-N 3.11Å; K572-S575 PolarHBondContact O-N 3.02Å; K572-S575 VanDerWaalsContact O-N 3.1Å
576	I	92	Very high	94.6	Very high	31 Å²	31	61.5 Å²	61.5	16%	0.159	31%	0.312	C	S	.	.			trans	-101.6	133.5	176.1	-58.7	-136	0	0	0	109.1	L498 L501 L571 R574	L498-I576 HydrophobicContact CD2-CD1 3.13Å; L498-I576 HydrophobicContact CD2-CG1 3.78Å; L501-I576 HydrophobicContact CD2-CD1 3.66Å; L571-I576 CarbonylContact C-O 3.57Å; L571-I576 HydrophobicContact CD2-CB 4.19Å; L571-I576 HydrophobicContact CD2-CG2 4.05Å; L571-I576 PolarHBondContact O-N 3.38Å; R574-I576 HydrophobicContact CB-CG1 4.25Å; R574-I576 PolarHBondContact O-N 2.9Å
577	S	91.9	Very high	94.3	Very high	66 Å²	66	60.7 Å²	60.7	46%	0.462	31%	0.311	S	S	.	.			trans	-75.6	138.4	173.8	-177.5	0	0	0	0	110.6	N579 S580	S577-N579 PolarHBondContact O-N 3.45Å; S577-N579 VanDerWaalsContact O-N 3.14Å; S577-N579 WeakPolarHBondContact OG-CB 3.38Å; S577-N579 PolarHBondContact OG-N 3.31Å; S577-S580 VanDerWaalsContact O-CB 3.23Å; S577-S580 WeakPolarHBondContact O-CB 3.29Å; S577-S580 PolarHBondContact O-N 3.35Å
578	V	93.3	Very high	93.9	Very high	25 Å²	25	62.8 Å²	62.8	15%	0.152	32%	0.319	C	S	.	.	H	α-helix	trans	-56.4	-27	169.7	-175.9	0	0	0	0	111.4	L568 L571 S580 V581 L582 F615 L619	L568-V578 HydrophobicContact CD2-CG1 4.38Å; L568-V578 HydrophobicContact CD2-CG2 3.35Å; L571-V578 HydrophobicContact CD1-CB 4.48Å; L571-V578 HydrophobicContact CD1-CG2 3.93Å; V578-S580 PolarHBondContact O-N 3.03Å; V578-V581 WeakPolarHBondContact O-CB 3.38Å; V578-V581 PolarHBondContact O-N 3.39Å; V578-V581 VanDerWaalsContact O-N 3.08Å; V578-L582 PolarHBondContact O-N 3.05Å; V578-F615 HydrophobicContact CG1-CE1 3.76Å; V578-F615 HydrophobicContact CG1-CZ 4.19Å; V578-L619 HydrophobicContact CG1-CD1 3.84Å; V578-L619 HydrophobicContact CG1-CD2 4.18Å
579	N	93.2	Very high	93.6	Very high	91 Å²	91	60.3 Å²	60.3	49%	0.487	31%	0.306	S	S	.	.	H	α-helix	trans	-59.8	-30.2	174.8	-64.3	-22.4	0	0	0	112.1	S577 V581 L582 D583	S577-N579 PolarHBondContact O-N 3.45Å; S577-N579 VanDerWaalsContact O-N 3.14Å; S577-N579 WeakPolarHBondContact OG-CB 3.38Å; S577-N579 PolarHBondContact OG-N 3.31Å; N579-V581 VanDerWaalsContact C-N 3.26Å; N579-V581 PolarHBondContact O-N 3.48Å; N579-L582 PolarHBondContact O-N 2.88Å; N579-D583 WeakPolarHBondContact O-CB 3.45Å; N579-D583 PolarHBondContact O-N 3.25Å
580	S	93.1	Very high	93.2	Very high	33 Å²	33	60.1 Å²	60.1	23%	0.231	31%	0.309	C	S	.	.	H	α-helix	trans	-60.1	-37.3	176	-169.3	0	0	0	0	112.3	S577 V578 T584	S577-S580 VanDerWaalsContact O-CB 3.23Å; S577-S580 WeakPolarHBondContact O-CB 3.29Å; S577-S580 PolarHBondContact O-N 3.35Å; V578-S580 PolarHBondContact O-N 3.03Å; S580-T584 PolarHBondContact O-N 3.28Å; S580-T584 PolarHBondContact O-OG1 2.97Å
581	V	95	Very high	92.5	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.006	31%	0.307	C	S	.	.	H	α-helix	trans	-71.6	-45.2	176.5	-179	0	0	0	0	109.6	D549 I552 L553 L571 V578 N579 D583 T584 V585	D549-V581 HydrophobicContact CB-CG1 3.8Å; I552-V581 HydrophobicContact CB-CG1 4.48Å; I552-V581 HydrophobicContact CD1-CG1 4.44Å; I552-V581 HydrophobicContact CG2-CG1 4.27Å; L553-V581 HydrophobicContact CD1-CG1 3.7Å; L571-V581 HydrophobicContact CD1-CG2 4.27Å; V578-V581 WeakPolarHBondContact O-CB 3.38Å; V578-V581 PolarHBondContact O-N 3.39Å; V578-V581 VanDerWaalsContact O-N 3.08Å; N579-V581 VanDerWaalsContact C-N 3.26Å; N579-V581 PolarHBondContact O-N 3.48Å; V581-D583 PolarHBondContact O-N 3.05Å; V581-T584 PolarHBondContact O-N 3.05Å; V581-V585 WeakPolarHBondContact O-CG2 3.25Å; V581-V585 PolarHBondContact O-N 3.43Å
582	L	96.2	Very high	91.6	Very high	12 Å²	12	60.3 Å²	60.3	6%	0.063	31%	0.31	C	S	.	.	H	α-helix	trans	-61.3	-42.2	178.3	-69.7	174.6	0	0	0	112.6	V578 N579 V585 Q586 L612 F615 K616 L619	V578-L582 PolarHBondContact O-N 3.05Å; N579-L582 PolarHBondContact O-N 2.88Å; L582-V585 PolarHBondContact O-N 3.27Å; L582-Q586 VanDerWaalsContact O-CB 3.26Å; L582-Q586 WeakPolarHBondContact O-CB 3.2Å; L582-Q586 PolarHBondContact O-N 3.38Å; L582-L612 HydrophobicContact CD2-CD1 3.56Å; L582-L612 HydrophobicContact CD2-CG 4.42Å; L582-F615 HydrophobicContact CD2-CD1 3.79Å; L582-F615 HydrophobicContact CD2-CE1 4.21Å; L582-K616 HydrophobicContact CD1-CG 4.3Å; L582-K616 HydrophobicContact CD2-CG 4.22Å; L582-L619 HydrophobicContact CD1-CD1 4.13Å
583	D	95.3	Very high	90.3	Very high	108 Å²	108	53 Å²	53	58%	0.578	28%	0.283	S	S	*	.	H	α-helix	trans	-66.3	-41.1	-179.6	-66.8	-22.4	0	0	0	110.5	N579 V581 Q586 E587	N579-D583 WeakPolarHBondContact O-CB 3.45Å; N579-D583 PolarHBondContact O-N 3.25Å; V581-D583 PolarHBondContact O-N 3.05Å; D583-Q586 PolarHBondContact O-N 3.03Å; D583-E587 WeakPolarHBondContact O-CB 3.16Å; D583-E587 PolarHBondContact O-N 3.39Å
584	T	94.3	Very high	88.6	Confident	13 Å²	13	54.1 Å²	54.1	8%	0.08	29%	0.287	C	S	.	.	H	α-helix	trans	-63.3	-44.3	175.6	-58.1	0	0	0	0	111.8	L545 Q546 D549 S580 V581 E587 Y588	L545-T584 HydrophobicContact CD2-CG2 4.18Å; L545-T584 HydrophobicContact CG-CG2 3.95Å; Q546-T584 HydrophobicContact CB-CG2 4.48Å; Q546-T584 HydrophobicContact CG-CG2 3.78Å; D549-T584 HydrophobicContact CB-CG2 4.34Å; D549-T584 WeakPolarHBondContact OD2-CB 3.47Å; D549-T584 WeakPolarHBondContact OD2-CG2 3.46Å; D549-T584 PolarHBondContact OD2-OG1 3.38Å; S580-T584 PolarHBondContact O-N 3.28Å; S580-T584 PolarHBondContact O-OG1 2.97Å; V581-T584 PolarHBondContact O-N 3.05Å; T584-E587 WeakPolarHBondContact O-CB 3.41Å; T584-E587 PolarHBondContact O-N 3.17Å; T584-Y588 PolarHBondContact O-N 3.26Å
585	V	94.6	Very high	86.5	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-69.1	-37.5	176.7	178	0	0	0	0	111.2	D549 V550 L553 V581 L582 E587 Y588 V589 V608 L612	D549-V585 HydrophobicContact CB-CG2 3.6Å; V550-V585 HydrophobicContact CG2-CG1 4.26Å; V550-V585 HydrophobicContact CG2-CG2 4.26Å; L553-V585 HydrophobicContact CD1-CG2 4.29Å; L553-V585 HydrophobicContact CD2-CB 4.23Å; L553-V585 HydrophobicContact CD2-CG1 3.91Å; L553-V585 HydrophobicContact CD2-CG2 4.03Å; V581-V585 WeakPolarHBondContact O-CG2 3.25Å; V581-V585 PolarHBondContact O-N 3.43Å; L582-V585 PolarHBondContact O-N 3.27Å; V585-E587 VanDerWaalsContact C-N 3.3Å; V585-E587 PolarHBondContact O-N 3.42Å; V585-Y588 WeakPolarHBondContact O-CB 3.24Å; V585-Y588 PolarHBondContact O-N 2.98Å; V585-V589 WeakPolarHBondContact O-CG2 3.42Å; V585-V589 PolarHBondContact O-N 3Å; V585-V608 HydrophobicContact CG1-CG1 3.43Å; V585-V608 VanDerWaalsContact CG1-CG1 3.43Å; V585-L612 HydrophobicContact CB-CD1 4.13Å; V585-L612 HydrophobicContact CG1-CD1 4.04Å
586	Q	94.4	Very high	84.3	Confident	64 Å²	64	53 Å²	53	30%	0.299	28%	0.284	S	S	.	.	H	α-helix	trans	-63.3	-40.4	174.5	-174.2	64	67.7	0	0	110.9	L582 D583 Y588 V589 N590	L582-Q586 VanDerWaalsContact O-CB 3.26Å; L582-Q586 WeakPolarHBondContact O-CB 3.2Å; L582-Q586 PolarHBondContact O-N 3.38Å; D583-Q586 PolarHBondContact O-N 3.03Å; Q586-Y588 VanDerWaalsContact C-N 3.34Å; Q586-V589 PolarHBondContact O-N 3Å; Q586-N590 PolarHBondContact NE2-OD1 3.33Å; Q586-N590 WeakPolarHBondContact O-CB 3.49Å; Q586-N590 PolarHBondContact O-N 3.01Å; Q586-N590 PolarHBondContact O-ND2 3.3Å; Q586-N590 PolarHBondContact O-OD1 3.11Å
587	E	91.2	Very high	82.3	Confident	45 Å²	45	53.2 Å²	53.2	21%	0.21	29%	0.287	C	S	.	.	H	α-helix	trans	-59.6	-45.4	172.7	-173.3	-177	174.3	0	0	111	R537 D583 T584 V585 V589 N590 N591	R537-E587 IonicContact CZ-OE1 3.55Å; R537-E587 IonicContact NH1-OE1 2.67Å; R537-E587 PolarHBondContact NH1-OE1 3.22Å; R537-E587 IonicContact NH2-OE1 3.6Å; R537-E587 PolarHBondContact NH2-OE1 3Å; R537-E587 IonicContact NH2-OE2 3.67Å; R537-E587 PolarHBondContact NH2-OE2 3.1Å; D583-E587 WeakPolarHBondContact O-CB 3.16Å; D583-E587 PolarHBondContact O-N 3.39Å; T584-E587 WeakPolarHBondContact O-CB 3.41Å; T584-E587 PolarHBondContact O-N 3.17Å; V585-E587 VanDerWaalsContact C-N 3.3Å; V585-E587 PolarHBondContact O-N 3.42Å; E587-V589 PolarHBondContact O-N 3.35Å; E587-N590 PolarHBondContact O-N 3.05Å; E587-N591 WeakPolarHBondContact O-CB 3.26Å; E587-N591 PolarHBondContact O-N 2.68Å; E587-N591 PolarHBondContact O-ND2 2.82Å
588	Y	90.2	Very high	80.6	Confident	45 Å²	45	52.9 Å²	52.9	18%	0.176	28%	0.283	C	S	.	.	H	α-helix	trans	-56.7	-47.7	174.4	176.7	-101.7	0	0	0	112.1	Q546 V550 T584 V585 Q586 N590 N591 L592 E604 V608	Q546-Y588 HydrophobicContact CB-CD2 4.03Å; Q546-Y588 HydrophobicContact CB-CG 4.37Å; Q546-Y588 HydrophobicContact CG-CD2 4.44Å; V550-Y588 HydrophobicContact CG2-CD1 4.19Å; V550-Y588 HydrophobicContact CG2-CE1 4.46Å; T584-Y588 PolarHBondContact O-N 3.26Å; V585-Y588 WeakPolarHBondContact O-CB 3.24Å; V585-Y588 PolarHBondContact O-N 2.98Å; Q586-Y588 VanDerWaalsContact C-N 3.34Å; Y588-N590 PolarHBondContact O-N 3.11Å; Y588-N591 PolarHBondContact O-N 3.09Å; Y588-L592 HydrophobicContact CD1-CD1 4.3Å; Y588-L592 HydrophobicContact CE1-CD1 3.8Å; Y588-L592 HydrophobicContact CE1-CG 4.34Å; Y588-L592 HydrophobicContact CE2-CD2 4.49Å; Y588-L592 WeakPolarHBondContact O-CG 3.42Å; Y588-L592 PolarHBondContact O-N 3.26Å; Y588-E604 HydrophobicContact CE1-CG 4.48Å; Y588-V608 HydrophobicContact CD1-CG1 4.16Å; Y588-V608 HydrophobicContact CE1-CG2 4.07Å
589	V	89.1	Confident	79.3	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.03	31%	0.308	C	S	.	.	H	α-helix	trans	-61.7	-41.4	178	169.9	0	0	0	0	112.1	V585 Q586 E587 N591 L592 K605 V608	V585-V589 WeakPolarHBondContact O-CG2 3.42Å; V585-V589 PolarHBondContact O-N 3Å; Q586-V589 PolarHBondContact O-N 3Å; E587-V589 PolarHBondContact O-N 3.35Å; V589-N591 VanDerWaalsContact C-N 3.3Å; V589-N591 PolarHBondContact O-N 3.46Å; V589-L592 PolarHBondContact O-N 3.4Å; V589-K605 HydrophobicContact CG1-CG 4.01Å; V589-V608 HydrophobicContact CG2-CB 3.97Å; V589-V608 HydrophobicContact CG2-CG1 3.55Å
590	N	87.5	Confident	78	Confident	98 Å²	98	53.6 Å²	53.6	52%	0.524	30%	0.304	S	S	.	.	H	α-helix	trans	-65	-38.7	178.3	-64.7	-10.9	0	0	0	111	Q586 E587 Y588 L592 G593	Q586-N590 PolarHBondContact NE2-OD1 3.33Å; Q586-N590 WeakPolarHBondContact O-CB 3.49Å; Q586-N590 PolarHBondContact O-N 3.01Å; Q586-N590 PolarHBondContact O-ND2 3.3Å; Q586-N590 PolarHBondContact O-OD1 3.11Å; E587-N590 PolarHBondContact O-N 3.05Å; Y588-N590 PolarHBondContact O-N 3.11Å; N590-L592 VanDerWaalsContact C-N 3.25Å; N590-L592 PolarHBondContact O-N 3.24Å; N590-G593 PolarHBondContact O-N 2.94Å
591	N	82.3	Confident	76.9	Confident	27 Å²	27	52.4 Å²	52.4	14%	0.144	30%	0.295	C	S	.	.	H	α-helix	trans	-68.5	-21	179.4	-70.1	-19.5	0	0	0	113.6	L16 M534 E587 Y588 V589 G593	L16-N591 HydrophobicContact CB-CB 3.93Å; L16-N591 HydrophobicContact CD2-CB 4.15Å; L16-N591 PolarHBondContact N-O 3.36Å; M534-N591 WeakPolarHBondContact CE-ND2 3.25Å; M534-N591 WeakPolarHBondContact CE-OD1 3.29Å; E587-N591 WeakPolarHBondContact O-CB 3.26Å; E587-N591 PolarHBondContact O-N 2.68Å; E587-N591 PolarHBondContact O-ND2 2.82Å; Y588-N591 PolarHBondContact O-N 3.09Å; V589-N591 VanDerWaalsContact C-N 3.3Å; V589-N591 PolarHBondContact O-N 3.46Å; N591-G593 PolarHBondContact O-N 3.17Å
592	L	76.9	Confident	76	Confident	11 Å²	11	57.3 Å²	57.3	6%	0.058	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-9.2	176	-68	175.1	0	0	0	113.7	Y588 V589 N590 E604 K605	Y588-L592 HydrophobicContact CD1-CD1 4.3Å; Y588-L592 HydrophobicContact CE1-CD1 3.8Å; Y588-L592 HydrophobicContact CE1-CG 4.34Å; Y588-L592 HydrophobicContact CE2-CD2 4.49Å; Y588-L592 WeakPolarHBondContact O-CG 3.42Å; Y588-L592 PolarHBondContact O-N 3.26Å; V589-L592 PolarHBondContact O-N 3.4Å; N590-L592 VanDerWaalsContact C-N 3.25Å; N590-L592 PolarHBondContact O-N 3.24Å; L592-E604 HydrophobicContact CD1-CG 4.11Å; L592-K605 HydrophobicContact CB-CB 4.4Å; L592-K605 HydrophobicContact CB-CG 4.45Å; L592-K605 HydrophobicContact CD1-CB 3.96Å; L592-K605 HydrophobicContact CD1-CG 4.39Å
593	G	67.8	Low	75.3	Confident	16 Å²	16	59.2 Å²	59.2	17%	0.165	34%	0.335	C	S	.	.			trans	78.6	171.4	178	0	0	0	0	0	113.9	N590 N591 K605	N590-G593 PolarHBondContact O-N 2.94Å; N591-G593 PolarHBondContact O-N 3.17Å; G593-K605 WeakPolarHBondContact O-CD 3.33Å; G593-K605 WeakPolarHBondContact O-CE 3.46Å; G593-K605 PolarHBondContact O-NZ 3.34Å
594	E	59	Low	74.8	Confident	154 Å²	154	54.6 Å²	54.6	72%	0.72	31%	0.31	S	S	*	.	S	Bend	trans	-102.1	-49.1	-172.3	-58.8	-158.1	139.7	0	0	114.9
595	E	47.4	Very low	74.5	Confident	189 Å²	189	55.9 Å²	55.9	88%	0.883	32%	0.315	S	S	*	.	S	Bend	trans	-145.6	-1.5	-160.2	-68.9	-176.6	160	0	0	118.6
596	S	45.6	Very low	74.3	Confident	78 Å²	78	59.2 Å²	59.2	55%	0.545	34%	0.335	S	S	.	.	S	Bend	trans	-124.2	23.8	-177.7	64	0	0	0	0	116.4	Q15 Q381	Q15-S596 PolarHBondContact NE2-OG 2.92Å; Q381-S596 PolarHBondContact NE2-O 2.9Å
597	T	50.8	Low	74.1	Confident	36 Å²	36	58.6 Å²	58.6	22%	0.221	33%	0.33	C	S	.	.	S	Bend	trans	-110.8	148.2	-178.4	43.4	0	0	0	0	113.8	Q15 T601	Q15-T597 HydrophobicContact CB-CG2 4.32Å; Q15-T597 VanDerWaalsContact CD-CG2 3.41Å; Q15-T597 HydrophobicContact CG-CG2 4.23Å; T597-T601 WeakPolarHBondContact CB-OG1 3.45Å; T597-T601 HydrophobicContact CG2-CG2 4.48Å; T597-T601 PolarHBondContact O-OG1 3.36Å; T597-T601 PolarHBondContact OG1-OG1 2.8Å
598	T	55.7	Low	74.2	Confident	59 Å²	59	56.5 Å²	56.5	36%	0.362	32%	0.32	S	S	.	.			trans	-38.9	147.9	178.2	55.8	0	0	0	0	114.8	T600 T601	T598-T600 PolarHBondContact O-N 3.44Å; T598-T601 WeakPolarHBondContact O-CG2 3.38Å; T598-T601 PolarHBondContact O-N 3.01Å; T598-T601 PolarHBondContact O-OG1 3.25Å; T598-T601 WeakPolarHBondContact OG1-CG2 3.25Å
599	G	64.8	Low	74.4	Confident	67 Å²	67	57.2 Å²	57.2	69%	0.691	33%	0.329	S	S	*	.	H	α-helix	trans	-49.2	-30.3	-175.6	0	0	0	0	0	117.1	T601 S603	G599-T601 VanDerWaalsContact C-N 3.27Å; G599-T601 PolarHBondContact O-N 3.27Å; G599-S603 PolarHBondContact O-N 3.02Å
600	T	67.6	Low	74.7	Confident	64 Å²	64	60.9 Å²	60.9	39%	0.393	35%	0.349	S	S	.	.	H	α-helix	trans	-64.6	-25.5	176.7	-45	0	0	0	0	113.9	T598 E604	T598-T600 PolarHBondContact O-N 3.44Å; T600-E604 PolarHBondContact O-N 2.89Å
601	T	68.4	Low	75.1	Confident	8 Å²	8	56.7 Å²	56.7	5%	0.049	33%	0.326	C	S	.	.	H	α-helix	trans	-78.3	-44.1	-176.7	62.9	0	0	0	0	112.1	K17 T597 T598 G599 S603 E604 K605	K17-T601 HydrophobicContact CD-CG2 4.13Å; T597-T601 WeakPolarHBondContact CB-OG1 3.45Å; T597-T601 HydrophobicContact CG2-CG2 4.48Å; T597-T601 PolarHBondContact O-OG1 3.36Å; T597-T601 PolarHBondContact OG1-OG1 2.8Å; T598-T601 WeakPolarHBondContact O-CG2 3.38Å; T598-T601 PolarHBondContact O-N 3.01Å; T598-T601 PolarHBondContact O-OG1 3.25Å; T598-T601 WeakPolarHBondContact OG1-CG2 3.25Å; G599-T601 VanDerWaalsContact C-N 3.27Å; G599-T601 PolarHBondContact O-N 3.27Å; T601-S603 PolarHBondContact O-N 3.08Å; T601-E604 PolarHBondContact O-N 3.04Å; T601-E604 VanDerWaalsContact O-N 3.15Å; T601-K605 WeakPolarHBondContact O-CB 3.34Å; T601-K605 PolarHBondContact O-N 3.26Å
602	L	76.9	Confident	75.8	Confident	104 Å²	104	55.7 Å²	55.7	55%	0.545	32%	0.321	S	S	.	.	H	α-helix	trans	-64.1	-39	177.5	-174	62.4	0	0	0	109.5	K605 T606	L602-K605 PolarHBondContact O-N 3.43Å; L602-T606 VanDerWaalsContact O-CB 3.32Å; L602-T606 WeakPolarHBondContact O-CB 3.32Å; L602-T606 PolarHBondContact O-N 2.77Å; L602-T606 PolarHBondContact O-OG1 3.02Å
603	S	81.7	Confident	76.7	Confident	53 Å²	53	61.1 Å²	61.1	37%	0.371	34%	0.344	S	S	.	.	H	α-helix	trans	-57	-48.8	171.1	-179.8	0	0	0	0	111.8	G599 T601 T606 R607	G599-S603 PolarHBondContact O-N 3.02Å; T601-S603 PolarHBondContact O-N 3.08Å; S603-T606 PolarHBondContact O-N 2.81Å; S603-R607 WeakPolarHBondContact O-CB 3.32Å; S603-R607 PolarHBondContact O-N 3.03Å
604	E	85.5	Confident	78.1	Confident	11 Å²	11	65.1 Å²	65.1	5%	0.051	36%	0.357	C	S	.	.	H	α-helix	trans	-66.9	-43.5	178.8	-177.2	62.3	169	0	0	113	R467 Y588 L592 T600 T601 T606 R607 V608	R467-E604 IonicContact CZ-OE1 3.92Å; R467-E604 IonicContact CZ-OE2 2.78Å; R467-E604 IonicContact NE-OE2 3.65Å; R467-E604 PolarHBondContact NE-OE2 2.93Å; R467-E604 IonicContact NH1-OE1 3.36Å; R467-E604 PolarHBondContact NH1-OE1 3.08Å; R467-E604 IonicContact NH1-OE2 2.81Å; R467-E604 PolarHBondContact NH1-OE2 3.31Å; R467-E604 IonicContact NH2-OE2 2.76Å; R467-E604 PolarHBondContact NH2-OE2 3.22Å; Y588-E604 HydrophobicContact CE1-CG 4.48Å; L592-E604 HydrophobicContact CD1-CG 4.11Å; T600-E604 PolarHBondContact O-N 2.89Å; T601-E604 PolarHBondContact O-N 3.04Å; T601-E604 VanDerWaalsContact O-N 3.15Å; E604-T606 VanDerWaalsContact C-N 3.29Å; E604-T606 PolarHBondContact O-N 3.19Å; E604-R607 PolarHBondContact O-N 3.49Å; E604-R607 IonicContact OE1-CZ 3.56Å; E604-R607 IonicContact OE1-NE 3.77Å; E604-R607 IonicContact OE1-NH2 2.87Å; E604-R607 PolarHBondContact OE1-NH2 2.74Å; E604-R607 IonicContact OE2-CZ 3.3Å; E604-R607 IonicContact OE2-NE 3.47Å; E604-R607 PolarHBondContact OE2-NE 3.27Å; E604-R607 IonicContact OE2-NH2 3.99Å; E604-R607 PolarHBondContact OE2-NH2 2.96Å; E604-V608 HydrophobicContact CG-CG2 4.35Å; E604-V608 WeakPolarHBondContact O-CG2 3.36Å; E604-V608 PolarHBondContact O-N 3.25Å
605	K	87.1	Confident	79.9	Confident	39 Å²	39	57.9 Å²	57.9	17%	0.17	32%	0.323	C	S	.	.	H	α-helix	trans	-59.1	-44.5	177.6	-169.4	-178.9	-177.1	179.5	0	110.8	V589 L592 G593 T601 L602 T609	V589-K605 HydrophobicContact CG1-CG 4.01Å; L592-K605 HydrophobicContact CB-CB 4.4Å; L592-K605 HydrophobicContact CB-CG 4.45Å; L592-K605 HydrophobicContact CD1-CB 3.96Å; L592-K605 HydrophobicContact CD1-CG 4.39Å; G593-K605 WeakPolarHBondContact O-CD 3.33Å; G593-K605 WeakPolarHBondContact O-CE 3.46Å; G593-K605 PolarHBondContact O-NZ 3.34Å; T601-K605 WeakPolarHBondContact O-CB 3.34Å; T601-K605 PolarHBondContact O-N 3.26Å; L602-K605 PolarHBondContact O-N 3.43Å; K605-T609 VanDerWaalsContact O-CB 3.25Å; K605-T609 WeakPolarHBondContact O-CB 3.32Å; K605-T609 PolarHBondContact O-N 3.36Å; K605-T609 PolarHBondContact O-OG1 2.89Å
606	T	90.1	Very high	82.1	Confident	70 Å²	70	53.3 Å²	53.3	43%	0.429	30%	0.301	S	S	.	.	H	α-helix	trans	-61.8	-49.8	177	-55.4	0	0	0	0	110.3	L602 S603 E604 V608 T609 D610	L602-T606 VanDerWaalsContact O-CB 3.32Å; L602-T606 WeakPolarHBondContact O-CB 3.32Å; L602-T606 PolarHBondContact O-N 2.77Å; L602-T606 PolarHBondContact O-OG1 3.02Å; S603-T606 PolarHBondContact O-N 2.81Å; E604-T606 VanDerWaalsContact C-N 3.29Å; E604-T606 PolarHBondContact O-N 3.19Å; T606-V608 PolarHBondContact O-N 2.95Å; T606-T609 PolarHBondContact O-N 3.37Å; T606-D610 WeakPolarHBondContact O-CB 3.29Å; T606-D610 PolarHBondContact O-N 3.48Å
607	R	91.5	Very high	84.5	Confident	51 Å²	51	54.3 Å²	54.3	19%	0.192	30%	0.296	C	S	.	.	H	α-helix	trans	-57.1	-48	179.6	-172.4	-169.3	73	85.7	1.1	112.5	D554 S603 E604 D610 L611	D554-R607 IonicContact OD2-NH1 3.71Å; D554-R607 PolarHBondContact OD2-NH1 2.96Å; S603-R607 WeakPolarHBondContact O-CB 3.32Å; S603-R607 PolarHBondContact O-N 3.03Å; E604-R607 PolarHBondContact O-N 3.49Å; E604-R607 IonicContact OE1-CZ 3.56Å; E604-R607 IonicContact OE1-NE 3.77Å; E604-R607 IonicContact OE1-NH2 2.87Å; E604-R607 PolarHBondContact OE1-NH2 2.74Å; E604-R607 IonicContact OE2-CZ 3.3Å; E604-R607 IonicContact OE2-NE 3.47Å; E604-R607 PolarHBondContact OE2-NE 3.27Å; E604-R607 IonicContact OE2-NH2 3.99Å; E604-R607 PolarHBondContact OE2-NH2 2.96Å; R607-D610 PolarHBondContact O-N 2.89Å; R607-L611 VanDerWaalsContact NH1-CD1 3.32Å; R607-L611 WeakPolarHBondContact O-CG 3.47Å; R607-L611 PolarHBondContact O-N 3.1Å
608	V	92.8	Very high	86.5	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.006	30%	0.3	C	S	.	.	H	α-helix	trans	-73.7	-33.5	-177.1	-179	0	0	0	0	111.3	V550 V585 Y588 V589 E604 T606 L611 L612	V550-V608 HydrophobicContact CG1-CG2 4.4Å; V550-V608 HydrophobicContact CG2-CG1 4.11Å; V585-V608 HydrophobicContact CG1-CG1 3.43Å; V585-V608 VanDerWaalsContact CG1-CG1 3.43Å; Y588-V608 HydrophobicContact CD1-CG1 4.16Å; Y588-V608 HydrophobicContact CE1-CG2 4.07Å; V589-V608 HydrophobicContact CG2-CB 3.97Å; V589-V608 HydrophobicContact CG2-CG1 3.55Å; E604-V608 HydrophobicContact CG-CG2 4.35Å; E604-V608 WeakPolarHBondContact O-CG2 3.36Å; E604-V608 PolarHBondContact O-N 3.25Å; T606-V608 PolarHBondContact O-N 2.95Å; V608-L611 PolarHBondContact O-N 3.23Å; V608-L612 WeakPolarHBondContact O-CB 3.41Å; V608-L612 PolarHBondContact O-N 3.49Å
609	T	94.5	Very high	88.3	Confident	60 Å²	60	55.3 Å²	55.3	37%	0.368	30%	0.298	S	S	.	.	H	α-helix	trans	-63.5	-42.6	172.1	-56.9	0	0	0	0	111.3	K605 T606 L612 K613	K605-T609 VanDerWaalsContact O-CB 3.25Å; K605-T609 WeakPolarHBondContact O-CB 3.32Å; K605-T609 PolarHBondContact O-N 3.36Å; K605-T609 PolarHBondContact O-OG1 2.89Å; T606-T609 PolarHBondContact O-N 3.37Å; T609-L612 WeakPolarHBondContact O-CB 3.44Å; T609-L612 PolarHBondContact O-N 3.2Å; T609-K613 PolarHBondContact O-N 2.98Å
610	D	95.5	Very high	89.5	Confident	82 Å²	82	58 Å²	58	44%	0.439	30%	0.301	S	S	.	.	H	α-helix	trans	-64.8	-40	175.6	-76.1	-19.1	0	0	0	112.1	T606 R607 K613 K614	T606-D610 WeakPolarHBondContact O-CB 3.29Å; T606-D610 PolarHBondContact O-N 3.48Å; R607-D610 PolarHBondContact O-N 2.89Å; D610-K613 PolarHBondContact O-N 2.73Å; D610-K614 WeakPolarHBondContact O-CB 3.42Å; D610-K614 WeakPolarHBondContact O-CG 3.29Å; D610-K614 PolarHBondContact O-N 3.45Å
611	L	95.6	Very high	90.2	Very high	10 Å²	10	61.4 Å²	61.4	5%	0.052	33%	0.327	C	S	.	.	H	α-helix	trans	-60.7	-45.7	172.5	-78.5	176	0	0	0	111.6	D554 V557 R607 V608 K613 K614 F615	D554-L611 HydrophobicContact CB-CD1 4.17Å; V557-L611 HydrophobicContact CB-CD2 3.98Å; V557-L611 HydrophobicContact CG1-CD2 3.98Å; V557-L611 HydrophobicContact CG2-CD2 4.3Å; R607-L611 VanDerWaalsContact NH1-CD1 3.32Å; R607-L611 WeakPolarHBondContact O-CG 3.47Å; R607-L611 PolarHBondContact O-N 3.1Å; V608-L611 PolarHBondContact O-N 3.23Å; L611-K613 VanDerWaalsContact C-N 3.31Å; L611-K613 PolarHBondContact O-N 3.33Å; L611-K614 PolarHBondContact O-N 3.08Å; L611-F615 VanDerWaalsContact O-CB 3.28Å; L611-F615 WeakPolarHBondContact O-CB 3.42Å; L611-F615 PolarHBondContact O-N 3.26Å
612	L	95.7	Very high	91.3	Very high	7 Å²	7	64.1 Å²	64.1	4%	0.037	34%	0.341	C	S	.	.	H	α-helix	trans	-59.8	-43	178.1	-169.2	81.5	0	0	0	111.3	L553 L582 V585 V608 T609 K616	L553-L612 HydrophobicContact CD2-CB 4.43Å; L553-L612 HydrophobicContact CD2-CD1 3.98Å; L582-L612 HydrophobicContact CD2-CD1 3.56Å; L582-L612 HydrophobicContact CD2-CG 4.42Å; V585-L612 HydrophobicContact CB-CD1 4.13Å; V585-L612 HydrophobicContact CG1-CD1 4.04Å; V608-L612 WeakPolarHBondContact O-CB 3.41Å; V608-L612 PolarHBondContact O-N 3.49Å; T609-L612 WeakPolarHBondContact O-CB 3.44Å; T609-L612 PolarHBondContact O-N 3.2Å; L612-K616 WeakPolarHBondContact O-CG 3.26Å; L612-K616 PolarHBondContact O-N 3.4Å
613	K	96.3	Very high	92.1	Very high	125 Å²	125	61.9 Å²	61.9	54%	0.543	33%	0.33	S	S	.	.	H	α-helix	trans	-63.1	-52.6	177.2	-177.3	-176.5	173.5	-173.1	0	111.5	T609 D610 L611 F615 K616 E617	T609-K613 PolarHBondContact O-N 2.98Å; D610-K613 PolarHBondContact O-N 2.73Å; L611-K613 VanDerWaalsContact C-N 3.31Å; L611-K613 PolarHBondContact O-N 3.33Å; K613-F615 VanDerWaalsContact C-N 3.3Å; K613-F615 PolarHBondContact O-N 3.09Å; K613-K616 PolarHBondContact O-N 2.71Å; K613-E617 WeakPolarHBondContact CE-OE1 3.36Å; K613-E617 WeakPolarHBondContact O-CG 3.28Å; K613-E617 PolarHBondContact O-N 2.87Å
614	K	96.7	Very high	92.7	Very high	100 Å²	100	62.4 Å²	62.4	44%	0.435	33%	0.328	S	S	.	.	H	α-helix	trans	-60.8	-39.2	179.7	-72.3	175.9	-179.6	178.8	0	112.1	V557 D610 L611 E617 L618	V557-K614 HydrophobicContact CG1-CB 3.69Å; V557-K614 HydrophobicContact CG1-CD 3.67Å; V557-K614 HydrophobicContact CG1-CG 4.33Å; V557-K614 HydrophobicContact CG2-CB 3.97Å; D610-K614 WeakPolarHBondContact O-CB 3.42Å; D610-K614 WeakPolarHBondContact O-CG 3.29Å; D610-K614 PolarHBondContact O-N 3.45Å; L611-K614 PolarHBondContact O-N 3.08Å; K614-E617 WeakPolarHBondContact O-CB 3.44Å; K614-E617 PolarHBondContact O-N 3.01Å; K614-L618 WeakPolarHBondContact O-CG 3.5Å; K614-L618 PolarHBondContact O-N 3.29Å
615	F	96.5	Very high	93.1	Very high	1 Å²	1	65.5 Å²	65.5	0%	0.004	34%	0.344	C	S	.	.	H	α-helix	trans	-65.1	-42.3	176.8	-171.3	-89.6	0	0	0	111.6	L553 C556 V557 L564 V578 L582 L611 K613 E617 L618 L619	L553-F615 HydrophobicContact CB-CD2 4.44Å; L553-F615 HydrophobicContact CD1-CD1 4.3Å; L553-F615 HydrophobicContact CD1-CD2 4.15Å; L553-F615 HydrophobicContact CD1-CE1 4.35Å; L553-F615 HydrophobicContact CD1-CE2 4.23Å; L553-F615 HydrophobicContact CD1-CG 4.17Å; L553-F615 HydrophobicContact CD1-CZ 4.33Å; L553-F615 HydrophobicContact CD2-CB 4.4Å; L553-F615 HydrophobicContact CG-CB 3.95Å; L553-F615 HydrophobicContact CG-CD1 4.33Å; L553-F615 HydrophobicContact CG-CD2 3.88Å; L553-F615 HydrophobicContact CG-CE2 4.44Å; L553-F615 HydrophobicContact CG-CG 3.8Å; C556-F615 HydrophobicContact CB-CD2 3.77Å; C556-F615 HydrophobicContact CB-CE2 3.51Å; V557-F615 HydrophobicContact CG2-CB 3.84Å; V557-F615 HydrophobicContact CG2-CD2 4.26Å; L564-F615 HydrophobicContact CD1-CE2 3.84Å; L564-F615 HydrophobicContact CD1-CZ 3.98Å; V578-F615 HydrophobicContact CG1-CE1 3.76Å; V578-F615 HydrophobicContact CG1-CZ 4.19Å; L582-F615 HydrophobicContact CD2-CD1 3.79Å; L582-F615 HydrophobicContact CD2-CE1 4.21Å; L611-F615 VanDerWaalsContact O-CB 3.28Å; L611-F615 WeakPolarHBondContact O-CB 3.42Å; L611-F615 PolarHBondContact O-N 3.26Å; K613-F615 VanDerWaalsContact C-N 3.3Å; K613-F615 PolarHBondContact O-N 3.09Å; F615-E617 VanDerWaalsContact C-N 3.32Å; F615-E617 PolarHBondContact O-N 3.24Å; F615-L618 WeakPolarHBondContact O-CB 3.18Å; F615-L618 PolarHBondContact O-N 3.09Å; F615-L619 HydrophobicContact CD1-CD1 3.95Å; F615-L619 HydrophobicContact CD1-CG 4.13Å; F615-L619 HydrophobicContact CE1-CD1 3.74Å; F615-L619 HydrophobicContact CE1-CD2 4.09Å; F615-L619 HydrophobicContact CE1-CG 3.97Å; F615-L619 HydrophobicContact CZ-CD2 4.42Å; F615-L619 WeakPolarHBondContact O-CG 3.27Å; F615-L619 PolarHBondContact O-N 3.42Å
616	K	95.3	Very high	93.5	Very high	94 Å²	94	67.1 Å²	67.1	41%	0.409	36%	0.355	S	S	.	.	H	α-helix	trans	-61.4	-39.9	173.8	-74.5	173.4	179.6	175.6	0	112.2	L582 L612 K613 L618 L619 T620	L582-K616 HydrophobicContact CD1-CG 4.3Å; L582-K616 HydrophobicContact CD2-CG 4.22Å; L612-K616 WeakPolarHBondContact O-CG 3.26Å; L612-K616 PolarHBondContact O-N 3.4Å; K613-K616 PolarHBondContact O-N 2.71Å; K616-L618 VanDerWaalsContact C-N 3.34Å; K616-L619 PolarHBondContact O-N 2.91Å; K616-T620 PolarHBondContact O-N 3.17Å; K616-T620 PolarHBondContact O-OG1 3.36Å
617	E	94.8	Very high	93.7	Very high	98 Å²	98	66.9 Å²	66.9	46%	0.458	35%	0.35	S	S	.	.	H	α-helix	trans	-60	-44.4	174.2	-70.4	168.9	-178.4	0	0	111.1	K613 K614 F615 L619 T620 S621	K613-E617 WeakPolarHBondContact CE-OE1 3.36Å; K613-E617 WeakPolarHBondContact O-CG 3.28Å; K613-E617 PolarHBondContact O-N 2.87Å; K614-E617 WeakPolarHBondContact O-CB 3.44Å; K614-E617 PolarHBondContact O-N 3.01Å; F615-E617 VanDerWaalsContact C-N 3.32Å; F615-E617 PolarHBondContact O-N 3.24Å; E617-L619 VanDerWaalsContact C-N 3.3Å; E617-L619 PolarHBondContact O-N 3.38Å; E617-T620 PolarHBondContact O-N 3.02Å; E617-T620 VanDerWaalsContact O-N 3.08Å; E617-T620 PolarHBondContact O-OG1 3.29Å; E617-S621 PolarHBondContact O-N 2.76Å
618	L	93.8	Very high	93.8	Very high	58 Å²	58	68.1 Å²	68.1	30%	0.304	36%	0.362	S	S	.	.	H	α-helix	trans	-64.4	-28.2	176.2	-71.1	174.1	0	0	0	114.2	V557 L564 K614 F615 K616 T620 S621	V557-L618 HydrophobicContact CG2-CD1 4.14Å; L564-L618 HydrophobicContact CD2-CB 3.77Å; K614-L618 WeakPolarHBondContact O-CG 3.5Å; K614-L618 PolarHBondContact O-N 3.29Å; F615-L618 WeakPolarHBondContact O-CB 3.18Å; F615-L618 PolarHBondContact O-N 3.09Å; K616-L618 VanDerWaalsContact C-N 3.34Å; L618-T620 VanDerWaalsContact C-N 3.3Å; L618-S621 WeakPolarHBondContact CA-OG 3.3Å; L618-S621 PolarHBondContact O-OG 3.44Å; L618-S621 VanDerWaalsContact O-OG 3.04Å
619	L	92.6	Very high	93.9	Very high	58 Å²	58	73.2 Å²	73.2	30%	0.304	39%	0.389	S	S	.	.	H	α-helix	trans	-74.6	-23	174.2	-67	177.9	0	0	0	112.7	L564 L568 V578 L582 F615 K616 E617	L564-L619 HydrophobicContact CD1-CD2 4.22Å; L568-L619 HydrophobicContact CD1-CD2 4.25Å; L568-L619 HydrophobicContact CD2-CD2 3.75Å; V578-L619 HydrophobicContact CG1-CD1 3.84Å; V578-L619 HydrophobicContact CG1-CD2 4.18Å; L582-L619 HydrophobicContact CD1-CD1 4.13Å; F615-L619 HydrophobicContact CD1-CD1 3.95Å; F615-L619 HydrophobicContact CD1-CG 4.13Å; F615-L619 HydrophobicContact CE1-CD1 3.74Å; F615-L619 HydrophobicContact CE1-CD2 4.09Å; F615-L619 HydrophobicContact CE1-CG 3.97Å; F615-L619 HydrophobicContact CZ-CD2 4.42Å; F615-L619 WeakPolarHBondContact O-CG 3.27Å; F615-L619 PolarHBondContact O-N 3.42Å; K616-L619 PolarHBondContact O-N 2.91Å; E617-L619 VanDerWaalsContact C-N 3.3Å; E617-L619 PolarHBondContact O-N 3.38Å
620	T	89.9	Confident	93.9	Very high	124 Å²	124	74.3 Å²	74.3	76%	0.761	39%	0.391	S	S	*	.	H	α-helix	trans	-93.4	-24.2	-179.6	56.5	0	0	0	0	113.7	K616 E617 L618	K616-T620 PolarHBondContact O-N 3.17Å; K616-T620 PolarHBondContact O-OG1 3.36Å; E617-T620 PolarHBondContact O-N 3.02Å; E617-T620 VanDerWaalsContact O-N 3.08Å; E617-T620 PolarHBondContact O-OG1 3.29Å; L618-T620 VanDerWaalsContact C-N 3.3Å
621	S	83.7	Confident	93.7	Very high	135 Å²	135	73.6 Å²	73.6	94%	0.944	39%	0.386	S	S	*	.			trans	-76.3	0	170.9	63.6	0	0	0	0	111.1	E617 L618	E617-S621 PolarHBondContact O-N 2.76Å; L618-S621 WeakPolarHBondContact CA-OG 3.3Å; L618-S621 PolarHBondContact O-OG 3.44Å; L618-S621 VanDerWaalsContact O-OG 3.04Å

Retrieved 621 of 621 residues in 1192.6 ms (Link to these results)

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