A0A077ZAR1_TRITR Loading...

RabGAP-TBC domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZAR1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 697 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	31.8	Very low	30.3	Very low	224 Å²	224	172.3 Å²	172.3	100%	1.103	82%	0.815	S	S	*	*				0	106.7	0	-155.7	172.5	172.3	0	0	106.1	Q3	M1-Q3 PolarHBondContact O-N 2.68Å
2	H	31.7	Very low	30.2	Very low	190 Å²	190	167.1 Å²	167.1	88%	0.88	81%	0.811	S	S	*	*			trans	-55.7	120.8	-166.6	-75.2	-78.1	0	0	0	112.1	C4	H2-C4 PolarHBondContact O-N 3.31Å
3	Q	29.4	Very low	30.3	Very low	175 Å²	175	167 Å²	167	82%	0.818	82%	0.816	S	S	*	*			trans	-61	103.3	168	-95	172.1	-23.4	0	0	108.8	M1 D5	M1-Q3 PolarHBondContact O-N 2.68Å; Q3-D5 VanDerWaalsContact C-N 3.34Å; Q3-D5 PolarHBondContact O-N 3.45Å
4	C	28.4	Very low	30.3	Very low	108 Å²	108	163.1 Å²	163.1	73%	0.73	81%	0.811	S	S	*	*			trans	-84.2	84.9	159.4	-74.8	0	0	0	0	108.2	H2 F6	H2-C4 PolarHBondContact O-N 3.31Å; C4-F6 PolarHBondContact O-N 3.49Å; C4-F6 VanDerWaalsContact O-N 3.14Å
5	D	29.9	Very low	30.3	Very low	123 Å²	123	164.5 Å²	164.5	66%	0.658	82%	0.822	S	S	*	*			trans	-67.8	102.9	162.7	-98.2	-13.9	0	0	0	108.6	Q3 R7	Q3-D5 VanDerWaalsContact C-N 3.34Å; Q3-D5 PolarHBondContact O-N 3.45Å; D5-R7 PolarHBondContact O-N 3.42Å
6	F	28.4	Very low	30.4	Very low	177 Å²	177	158.6 Å²	158.6	78%	0.776	82%	0.815	S	S	*	*			trans	-68.8	86.2	162.2	-86.7	-87.4	0	0	0	108.4	C4 F8	C4-F6 PolarHBondContact O-N 3.49Å; C4-F6 VanDerWaalsContact O-N 3.14Å; F6-F8 VanDerWaalsContact C-N 3.32Å; F6-F8 HydrophobicContact CB-CD2 4.42Å; F6-F8 HydrophobicContact CB-CE2 4.28Å; F6-F8 PolarHBondContact O-N 3.35Å
7	R	29.1	Very low	30.5	Very low	227 Å²	227	158.4 Å²	158.4	86%	0.857	82%	0.816	S	S	*	*			trans	-66	91.1	165.3	-78.5	-175.1	177.9	177.6	-0.4	109.1	D5 R9	D5-R7 PolarHBondContact O-N 3.42Å; R7-R9 PolarHBondContact O-N 2.96Å
8	F	32.1	Very low	30.8	Very low	182 Å²	182	155.8 Å²	155.8	80%	0.798	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-69.2	123.2	157.5	-79.4	-83.5	0	0	0	108.3	F6 N10	F6-F8 VanDerWaalsContact C-N 3.32Å; F6-F8 HydrophobicContact CB-CD2 4.42Å; F6-F8 HydrophobicContact CB-CE2 4.28Å; F6-F8 PolarHBondContact O-N 3.35Å; F8-N10 PolarHBondContact O-N 3.5Å
9	R	29.1	Very low	31.5	Very low	243 Å²	243	151.5 Å²	151.5	92%	0.917	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-54.9	118.9	179.5	-78.2	-178.6	173.1	-169.7	-2.2	110.4	R7	R7-R9 PolarHBondContact O-N 2.96Å
10	N	29.4	Very low	32.6	Very low	147 Å²	147	153.7 Å²	153.7	79%	0.786	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-58.5	128.9	164.1	-105.9	-16.4	0	0	0	109.8	F8	F8-N10 PolarHBondContact O-N 3.5Å
11	P	34	Very low	33.8	Very low	99 Å²	99	151.9 Å²	151.9	64%	0.643	80%	0.799	S	S	*	*			trans	-78.7	115.1	145	14.5	2.7	0	0	0	107.1	L13	P11-L13 PolarHBondContact O-N 3.09Å; P11-L13 VanDerWaalsContact O-N 3.08Å
12	S	29.2	Very low	35.4	Very low	110 Å²	110	142.3 Å²	142.3	77%	0.769	75%	0.752	S	S	*	*			trans	-45.6	111.7	166.9	45.5	0	0	0	0	111
13	L	32.2	Very low	37.3	Very low	166 Å²	166	133.4 Å²	133.4	87%	0.869	71%	0.711	S	S	*	*			trans	-104.7	103.1	169.7	-88.5	160.2	0	0	0	108.7	P11	P11-L13 PolarHBondContact O-N 3.09Å; P11-L13 VanDerWaalsContact O-N 3.08Å
14	C	29.3	Very low	39.7	Very low	112 Å²	112	130.5 Å²	130.5	76%	0.757	70%	0.696	S	S	*	*			trans	-51.2	138.4	165	-58.9	0	0	0	0	110.3	G16	C14-G16 PolarHBondContact O-N 3.34Å
15	L	30.3	Very low	42.4	Very low	184 Å²	184	129.1 Å²	129.1	96%	0.963	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.5	108.9	164	-81.7	89.8	0	0	0	108.3
16	G	32.1	Very low	45	Very low	70 Å²	70	124 Å²	124	72%	0.722	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-171.9	-31.7	-179	0	0	0	0	0	116.4	C14	C14-G16 PolarHBondContact O-N 3.34Å
17	D	32.9	Very low	47.8	Very low	155 Å²	155	119.2 Å²	119.2	83%	0.829	64%	0.638	S	S	*	*			trans	-128.8	79.6	-176.3	-95.7	-34.5	0	0	0	112.5	A19	D17-A19 PolarHBondContact O-N 3.42Å
18	A	34.9	Very low	50.7	Low	113 Å²	113	111.2 Å²	111.2	93%	0.934	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	22.3	-176	0	0	0	0	0	115.4
19	A	44.9	Very low	53.5	Low	74 Å²	74	104.2 Å²	104.2	61%	0.612	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.7	3.7	-169.1	0	0	0	0	0	117.3	D17	D17-A19 PolarHBondContact O-N 3.42Å
20	K	53.7	Low	56.5	Low	194 Å²	194	93.1 Å²	93.1	84%	0.843	54%	0.541	S	S	*	.	S	Bend	trans	-138.8	120.3	177.8	-78.5	177.3	178.9	171	0	111.2
21	F	56.6	Low	59.6	Low	117 Å²	117	89 Å²	89	51%	0.513	52%	0.523	S	S	.	.			trans	101.7	110	162.2	-124.5	-107.8	0	0	0	118.2	G23 K24	F21-G23 VanDerWaalsContact CD1-CA 3.47Å; F21-G23 VanDerWaalsContact CE1-CA 3.42Å; F21-K24 HydrophobicContact CE1-CG 3.85Å; F21-K24 HydrophobicContact CE2-CG 4.48Å; F21-K24 HydrophobicContact CZ-CB 4.4Å; F21-K24 HydrophobicContact CZ-CD 4.32Å; F21-K24 HydrophobicContact CZ-CG 3.36Å
22	I	65.1	Low	62.4	Low	22 Å²	22	86.1 Å²	86.1	11%	0.113	50%	0.5	C	S	.	.	S	Bend	trans	-93.1	-28.7	156.2	-72.2	170.4	0	0	0	110.7	I29 L67 W307 L310	I22-I29 HydrophobicContact CG2-CD1 3.56Å; I22-I29 WeakPolarHBondContact O-CD1 3.36Å; I22-I29 VanDerWaalsContact O-CG1 3.32Å; I22-I29 WeakPolarHBondContact O-CG1 3.26Å; I22-L67 HydrophobicContact CG2-CD2 3.72Å; I22-W307 VanDerWaalsContact CD1-CA 3.41Å; I22-W307 HydrophobicContact CD1-CB 3.74Å; I22-W307 HydrophobicContact CD1-CG 4.21Å; I22-L310 HydrophobicContact CD1-CB 4.28Å; I22-L310 HydrophobicContact CD1-CD1 3.3Å; I22-L310 HydrophobicContact CD1-CG 4.33Å; I22-L310 HydrophobicContact CG1-CD1 3.61Å
23	G	72.4	Confident	65.4	Low	3 Å²	3	84.7 Å²	84.7	3%	0.031	48%	0.484	C	S	.	.			trans	157.2	162.9	-178.5	0	0	0	0	0	112	F21 E27 C57 K59	F21-G23 VanDerWaalsContact CD1-CA 3.47Å; F21-G23 VanDerWaalsContact CE1-CA 3.42Å; G23-E27 VanDerWaalsContact CA-OE2 3.25Å; G23-E27 WeakPolarHBondContact CA-OE2 3.33Å; G23-C57 PolarHBondContact O-SG 2.94Å; G23-K59 VanDerWaalsContact O-CE 3.29Å; G23-K59 WeakPolarHBondContact O-CE 3.42Å
24	K	80.3	Confident	68.2	Low	115 Å²	115	81.1 Å²	81.1	50%	0.5	47%	0.466	S	S	.	.			trans	-73.9	157.2	163.9	-62.7	-175.8	-177.8	174.3	0	109.3	F21 G26 E27 C57	F21-K24 HydrophobicContact CE1-CG 3.85Å; F21-K24 HydrophobicContact CE2-CG 4.48Å; F21-K24 HydrophobicContact CZ-CB 4.4Å; F21-K24 HydrophobicContact CZ-CD 4.32Å; F21-K24 HydrophobicContact CZ-CG 3.36Å; K24-G26 PolarHBondContact O-N 2.79Å; K24-E27 HydrophobicContact CB-CB 4.26Å; K24-E27 PolarHBondContact N-OE2 3.14Å; K24-E27 WeakPolarHBondContact O-CB 3.4Å; K24-E27 PolarHBondContact O-N 3.5Å; K24-C57 VanDerWaalsContact O-CB 3.27Å; K24-C57 WeakPolarHBondContact O-CB 3.29Å
25	D	84.4	Confident	71.2	Confident	79 Å²	79	75.8 Å²	75.8	42%	0.422	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	129.6	172.8	-172.6	40.2	0	0	0	111.3	E27 Q58 K59 R90	D25-E27 VanDerWaalsContact C-N 3.31Å; D25-E27 PolarHBondContact O-N 3.14Å; D25-Q58 WeakPolarHBondContact OD1-CA 3.49Å; D25-K59 HydrophobicContact CB-CB 3.98Å; D25-K59 HydrophobicContact CB-CD 4.21Å; D25-K59 HydrophobicContact CB-CG 3.96Å; D25-K59 PolarHBondContact OD1-N 2.78Å; D25-R90 PolarHBondContact O-NH2 2.85Å
26	G	83.7	Confident	74.1	Confident	16 Å²	16	67.5 Å²	67.5	17%	0.165	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	7.8	-174.1	0	0	0	0	0	115.4	K24 C57	K24-G26 PolarHBondContact O-N 2.79Å; G26-C57 WeakPolarHBondContact CA-O 3.43Å; G26-C57 PolarHBondContact N-O 3.31Å
27	E	87.9	Confident	76.8	Confident	76 Å²	76	65 Å²	65	36%	0.355	36%	0.358	S	S	.	.			trans	-77.2	128.9	179	-173.6	170.4	-172.4	0	0	111.5	G23 K24 D25 I29 I56 C57	G23-E27 VanDerWaalsContact CA-OE2 3.25Å; G23-E27 WeakPolarHBondContact CA-OE2 3.33Å; K24-E27 HydrophobicContact CB-CB 4.26Å; K24-E27 PolarHBondContact N-OE2 3.14Å; K24-E27 WeakPolarHBondContact O-CB 3.4Å; K24-E27 PolarHBondContact O-N 3.5Å; D25-E27 VanDerWaalsContact C-N 3.31Å; D25-E27 PolarHBondContact O-N 3.14Å; E27-I29 PolarHBondContact O-N 3.24Å; E27-I56 CarbonylContact O-C 3.51Å; E27-I56 WeakPolarHBondContact O-CA 3.49Å; E27-C57 PolarHBondContact O-N 3.49Å
28	L	90	Very high	79.3	Confident	58 Å²	58	58.6 Å²	58.6	30%	0.304	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	109.3	169.1	179.2	68.3	0	0	0	109.2	Y30 I56	L28-Y30 VanDerWaalsContact CD1-O 3.25Å; L28-Y30 WeakPolarHBondContact CD1-O 3.34Å; L28-I56 HydrophobicContact CD1-CG1 4.02Å
29	I	90.1	Very high	80.8	Confident	35 Å²	35	55.1 Å²	55.1	18%	0.179	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-33.2	-176.3	-52.8	160.9	0	0	0	110.8	I22 E27 V55 C57 L67 I303	I22-I29 HydrophobicContact CG2-CD1 3.56Å; I22-I29 WeakPolarHBondContact O-CD1 3.36Å; I22-I29 VanDerWaalsContact O-CG1 3.32Å; I22-I29 WeakPolarHBondContact O-CG1 3.26Å; E27-I29 PolarHBondContact O-N 3.24Å; I29-V55 PolarHBondContact N-O 3.19Å; I29-C57 HydrophobicContact CD1-CB 3.62Å; I29-C57 HydrophobicContact CG1-CB 4.08Å; I29-L67 HydrophobicContact CD1-CD2 3.31Å; I29-I303 HydrophobicContact CG2-CD1 3.88Å; I29-I303 HydrophobicContact CG2-CG1 4.14Å; I29-I303 HydrophobicContact CG2-CG2 4.16Å
30	Y	93.9	Very high	81.5	Confident	11 Å²	11	55.1 Å²	55.1	4%	0.043	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	140.8	-177.3	-175.8	-90.9	0	0	0	110.4	L28 K32 F53 S54 V55 F292 G296 K299 L300 I303	L28-Y30 VanDerWaalsContact CD1-O 3.25Å; L28-Y30 WeakPolarHBondContact CD1-O 3.34Å; Y30-K32 HydrophobicContact CE1-CB 3.68Å; Y30-F53 AromaticContact CD1-CD1 3.84Å; Y30-F53 HydrophobicContact CD1-CD1 3.84Å; Y30-F53 AromaticContact CD1-CE1 3.97Å; Y30-F53 HydrophobicContact CD1-CE1 3.97Å; Y30-F53 AromaticContact CE1-CD1 3.74Å; Y30-F53 HydrophobicContact CE1-CD1 3.74Å; Y30-F53 HydrophobicContact CE1-CE1 4.01Å; Y30-S54 CarbonylContact O-C 3.58Å; Y30-S54 VanDerWaalsContact O-CA 3.25Å; Y30-S54 WeakPolarHBondContact O-CA 3.34Å; Y30-V55 HydrophobicContact CD1-CG2 4.39Å; Y30-V55 PolarHBondContact N-O 3.08Å; Y30-V55 PolarHBondContact O-N 2.96Å; Y30-F292 HydrophobicContact CE1-CE1 4.42Å; Y30-F292 WeakPolarHBondContact OH-CE1 3.43Å; Y30-G296 WeakPolarHBondContact CE2-O 3.14Å; Y30-G296 PolarHBondContact OH-O 3.02Å; Y30-K299 HydrophobicContact CD2-CD 4.11Å; Y30-K299 HydrophobicContact CD2-CG 4.13Å; Y30-K299 HydrophobicContact CE2-CB 4.13Å; Y30-K299 HydrophobicContact CE2-CD 4.21Å; Y30-K299 HydrophobicContact CE2-CG 4.2Å; Y30-L300 HydrophobicContact CD1-CD1 3.75Å; Y30-L300 HydrophobicContact CD2-CD1 4.22Å; Y30-L300 HydrophobicContact CE1-CD1 3.92Å; Y30-L300 HydrophobicContact CE2-CB 4.32Å; Y30-L300 HydrophobicContact CE2-CD1 4.36Å; Y30-L300 HydrophobicContact CG-CD1 3.9Å; Y30-I303 HydrophobicContact CD2-CD1 3.91Å; Y30-I303 HydrophobicContact CG-CD1 4.26Å
31	S	93.2	Very high	81.5	Confident	59 Å²	59	46.5 Å²	46.5	41%	0.413	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	142.4	167.5	60.5	0	0	0	0	110.5	Y52 F53	S31-Y52 WeakPolarHBondContact CB-OH 3.25Å; S31-F53 CarbonylContact C-O 3.56Å; S31-F53 VanDerWaalsContact CA-O 3.22Å; S31-F53 WeakPolarHBondContact CA-O 3.43Å
32	K	93	Very high	80.7	Confident	39 Å²	39	47.7 Å²	47.7	17%	0.17	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	131.6	175.3	-167	-174.6	-176.2	81.8	0	110.1	Y30 V35 F53 F292 N294 D295	Y30-K32 HydrophobicContact CE1-CB 3.68Å; K32-V35 HydrophobicContact CB-CG2 3.98Å; K32-V35 HydrophobicContact CD-CG2 3.73Å; K32-V35 HydrophobicContact CG-CG2 4.03Å; K32-F53 PolarHBondContact N-O 3.43Å; K32-F53 PolarHBondContact O-N 2.94Å; K32-F292 HydrophobicContact CD-CD1 3.54Å; K32-F292 HydrophobicContact CD-CE1 3.55Å; K32-N294 WeakPolarHBondContact CE-O 3.41Å; K32-N294 PolarHBondContact NZ-O 3.37Å; K32-D295 WeakPolarHBondContact CE-O 3.35Å; K32-D295 PolarHBondContact NZ-O 3.33Å
33	N	91.3	Very high	79.5	Confident	80 Å²	80	50.5 Å²	50.5	43%	0.428	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	160.3	170.3	-162.7	6.3	0	0	0	110.5	V35 Y52 N74	N33-V35 VanDerWaalsContact C-N 3.28Å; N33-V35 PolarHBondContact O-N 2.67Å; N33-Y52 HydrophobicContact CB-CD2 4.27Å; N33-N74 PolarHBondContact OD1-ND2 3.07Å; N33-N74 PolarHBondContact OD1-OD1 3.29Å
34	N	91.2	Very high	78.2	Confident	91 Å²	91	53 Å²	53	49%	0.487	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	61.2	34	179.7	-52.2	-38.3	0	0	0	113.5	G51 N74	N34-G51 PolarHBondContact N-O 2.96Å; N34-N74 PolarHBondContact OD1-ND2 3.14Å; N34-N74 VanDerWaalsContact OD1-ND2 3.13Å
35	V	93.1	Very high	76.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	118.7	161.4	177.5	0	0	0	0	106.7	K32 N33 G51 F53 W71 F290 F292	K32-V35 HydrophobicContact CB-CG2 3.98Å; K32-V35 HydrophobicContact CD-CG2 3.73Å; K32-V35 HydrophobicContact CG-CG2 4.03Å; N33-V35 VanDerWaalsContact C-N 3.28Å; N33-V35 PolarHBondContact O-N 2.67Å; V35-G51 PolarHBondContact N-O 2.88Å; V35-G51 PolarHBondContact O-N 2.69Å; V35-F53 HydrophobicContact CB-CB 3.83Å; V35-F53 HydrophobicContact CG1-CB 4.26Å; V35-F53 HydrophobicContact CG1-CD2 4.21Å; V35-F53 HydrophobicContact CG1-CG 4.45Å; V35-F53 HydrophobicContact CG2-CB 3.63Å; V35-F53 HydrophobicContact CG2-CG 4.24Å; V35-W71 PolarHBondContact O-NE1 3.26Å; V35-F290 HydrophobicContact CG1-CB 3.79Å; V35-F290 HydrophobicContact CG1-CD1 4.27Å; V35-F290 HydrophobicContact CG1-CG 4.46Å; V35-F292 HydrophobicContact CG1-CD2 4.24Å; V35-F292 HydrophobicContact CG1-CE2 3.84Å; V35-F292 HydrophobicContact CG1-CZ 3.99Å; V35-F292 HydrophobicContact CG2-CD1 4.05Å; V35-F292 HydrophobicContact CG2-CE1 3.63Å; V35-F292 HydrophobicContact CG2-CE2 4.4Å; V35-F292 HydrophobicContact CG2-CZ 3.82Å
36	C	91.6	Very high	75.9	Confident	10 Å²	10	53 Å²	53	7%	0.068	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	146.7	-173.7	-68.7	0	0	0	0	111.4	C49 Y291 H293	C36-C49 CarbonylContact C-O 3.59Å; C36-C49 VanDerWaalsContact CA-O 3.28Å; C36-C49 WeakPolarHBondContact CA-O 3.34Å; C36-Y291 PolarHBondContact N-O 2.98Å; C36-Y291 PolarHBondContact O-N 3.08Å; C36-H293 WeakPolarHBondContact CB-NE2 3.36Å; C36-H293 VanDerWaalsContact SG-CD2 3.54Å; C36-H293 PolarHBondContact SG-NE2 3.08Å
37	V	89.3	Confident	75.3	Confident	18 Å²	18	57.9 Å²	57.9	11%	0.109	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.6	159.2	175.9	0	0	0	0	105.3	C49 W71 F290	V37-C49 PolarHBondContact N-O 2.99Å; V37-C49 WeakPolarHBondContact O-CA 3.32Å; V37-C49 WeakPolarHBondContact O-CB 3.29Å; V37-C49 PolarHBondContact O-N 3.3Å; V37-W71 HydrophobicContact CB-CH2 3.83Å; V37-W71 HydrophobicContact CB-CZ2 3.8Å; V37-W71 HydrophobicContact CB-CZ3 4.45Å; V37-W71 HydrophobicContact CG2-CD2 3.94Å; V37-W71 HydrophobicContact CG2-CE3 4.22Å; V37-W71 HydrophobicContact CG2-CH2 3.82Å; V37-W71 HydrophobicContact CG2-CZ2 3.55Å; V37-W71 HydrophobicContact CG2-CZ3 4.16Å; V37-F290 HydrophobicContact CG2-CD1 3.64Å; V37-F290 HydrophobicContact CG2-CE1 3.84Å
38	H	84	Confident	75	Confident	21 Å²	21	59.3 Å²	59.3	10%	0.097	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	140	175.6	-52.1	149.7	0	0	0	109.8	T46 K47 H48 E209 Y291	H38-T46 HydrophobicContact CB-CG2 3.79Å; H38-K47 WeakPolarHBondContact CA-O 3.45Å; H38-H48 AromaticContact CD2-CE1 3.66Å; H38-H48 AromaticContact CD2-CG 3.82Å; H38-H48 AromaticContact CD2-ND1 3.22Å; H38-H48 PolarHBondContact CD2-ND1 3.09Å; H38-H48 AromaticContact CE1-CE1 3.77Å; H38-H48 AromaticContact CE1-ND1 3.99Å; H38-H48 AromaticContact NE2-CE1 3.06Å; H38-H48 PolarHBondContact NE2-CE1 3.33Å; H38-H48 AromaticContact NE2-CG 3.92Å; H38-H48 AromaticContact NE2-ND1 2.89Å; H38-H48 PolarHBondContact NE2-ND1 3.1Å; H38-E209 HydrophobicContact CB-CG 4.41Å; H38-E209 WeakPolarHBondContact CB-OE1 3.27Å; H38-E209 IonicContact CG-OE1 3.53Å; H38-E209 IonicContact ND1-OE1 2.64Å; H38-E209 PolarHBondContact ND1-OE1 3.41Å; H38-Y291 AromaticContact CD2-CD2 3.98Å; H38-Y291 AromaticContact CE1-CD1 3.49Å; H38-Y291 VanDerWaalsContact CE1-CD1 3.49Å; H38-Y291 WeakPolarHBondContact CE1-CD1 3.12Å; H38-Y291 AromaticContact CE1-CD2 3.51Å; H38-Y291 AromaticContact CE1-CE1 3.41Å; H38-Y291 VanDerWaalsContact CE1-CE1 3.41Å; H38-Y291 WeakPolarHBondContact CE1-CE1 3.29Å; H38-Y291 AromaticContact CE1-CE2 3.47Å; H38-Y291 VanDerWaalsContact CE1-CE2 3.47Å; H38-Y291 WeakPolarHBondContact CE1-CE2 3.41Å; H38-Y291 AromaticContact CE1-CG 3.54Å; H38-Y291 AromaticContact CE1-CZ 3.43Å; H38-Y291 VanDerWaalsContact CE1-CZ 3.43Å; H38-Y291 AromaticContact CG-CE2 3.88Å; H38-Y291 AromaticContact ND1-CD2 3.79Å; H38-Y291 AromaticContact ND1-CE1 3.89Å; H38-Y291 AromaticContact ND1-CE2 3.36Å; H38-Y291 WeakPolarHBondContact ND1-CE2 3.37Å; H38-Y291 AromaticContact ND1-CZ 3.42Å; H38-Y291 AromaticContact NE2-CD1 3.95Å; H38-Y291 AromaticContact NE2-CD2 3.6Å; H38-Y291 AromaticContact NE2-CE2 4Å; H38-Y291 AromaticContact NE2-CG 3.6Å
39	A	68	Low	74.9	Confident	39 Å²	39	57.9 Å²	57.9	32%	0.322	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	152.6	175.1	0	0	0	0	0	109.5	G41 K47	A39-G41 PolarHBondContact O-N 3.14Å; A39-G41 VanDerWaalsContact O-N 3.08Å; A39-K47 PolarHBondContact N-O 3.18Å; A39-K47 PolarHBondContact O-N 3.11Å
40	I	59.1	Low	74.9	Confident	75 Å²	75	57.8 Å²	57.8	39%	0.385	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	110.7	174.5	-47.4	-175.2	0	0	0	108.6	E210 E213	I40-E210 HydrophobicContact CB-CG 4.39Å; I40-E210 HydrophobicContact CD1-CB 4.27Å; I40-E210 HydrophobicContact CD1-CG 3.58Å; I40-E210 HydrophobicContact CG1-CG 3.52Å; I40-E210 HydrophobicContact CG2-CG 4.21Å; I40-E213 HydrophobicContact CD1-CB 4.43Å; I40-E213 WeakPolarHBondContact CD1-OE2 3.25Å
41	G	53	Low	74.8	Confident	12 Å²	12	57.3 Å²	57.3	12%	0.124	34%	0.343	C	S	.	.			trans	-71.7	150.6	169.1	0	0	0	0	0	110.4	A39 S43 G44 E45	A39-G41 PolarHBondContact O-N 3.14Å; A39-G41 VanDerWaalsContact O-N 3.08Å; G41-S43 PolarHBondContact O-N 3.26Å; G41-G44 PolarHBondContact O-N 3.47Å; G41-E45 WeakPolarHBondContact CA-O 3.42Å; G41-E45 PolarHBondContact N-O 3Å
42	S	40.7	Very low	74.8	Confident	142 Å²	142	56.7 Å²	56.7	99%	0.993	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-13.3	175.4	42	0	0	0	0	114.1
43	S	39.1	Very low	74.9	Confident	82 Å²	82	54.8 Å²	54.8	57%	0.573	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	0.4	177.2	48.3	0	0	0	0	114.3	G41 E45	G41-S43 PolarHBondContact O-N 3.26Å; S43-E45 PolarHBondContact O-N 2.85Å; S43-E45 PolarHBondContact OG-OE2 3.3Å
44	G	46	Very low	75	Confident	55 Å²	55	51.1 Å²	51.1	57%	0.567	30%	0.304	S	S	*	.	S	Bend	trans	72.2	6.6	-169	0	0	0	0	0	113.6	G41	G41-G44 PolarHBondContact O-N 3.47Å
45	E	53.2	Low	75.1	Confident	131 Å²	131	46.8 Å²	46.8	61%	0.612	28%	0.281	S	S	*	.	S	Bend	trans	-85.3	135.4	168.4	-68.2	173.6	153.1	0	0	109.7	G41 S43 K47	G41-E45 WeakPolarHBondContact CA-O 3.42Å; G41-E45 PolarHBondContact N-O 3Å; S43-E45 PolarHBondContact O-N 2.85Å; S43-E45 PolarHBondContact OG-OE2 3.3Å; E45-K47 PolarHBondContact O-N 2.77Å; E45-K47 VanDerWaalsContact O-N 3.08Å
46	T	62.6	Low	75	Confident	64 Å²	64	47.1 Å²	47.1	39%	0.393	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	109.3	175.3	-3.1	0	0	0	0	109.6	H38	H38-T46 HydrophobicContact CB-CG2 3.79Å
47	K	70.8	Confident	74.9	Confident	118 Å²	118	46.7 Å²	46.7	51%	0.513	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	116.4	178.7	-171.5	-177.4	176.9	-168.3	0	109.5	H38 A39 E45 C49 E75	H38-K47 WeakPolarHBondContact CA-O 3.45Å; A39-K47 PolarHBondContact N-O 3.18Å; A39-K47 PolarHBondContact O-N 3.11Å; E45-K47 PolarHBondContact O-N 2.77Å; E45-K47 VanDerWaalsContact O-N 3.08Å; K47-C49 PolarHBondContact O-N 2.85Å; K47-E75 IonicContact NZ-OE1 3.72Å
48	H	81.4	Confident	74.7	Confident	106 Å²	106	50 Å²	50	49%	0.491	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	109.3	172.6	-64.2	-96.7	0	0	0	110.8	H38 H293	H38-H48 AromaticContact CD2-CE1 3.66Å; H38-H48 AromaticContact CD2-CG 3.82Å; H38-H48 AromaticContact CD2-ND1 3.22Å; H38-H48 PolarHBondContact CD2-ND1 3.09Å; H38-H48 AromaticContact CE1-CE1 3.77Å; H38-H48 AromaticContact CE1-ND1 3.99Å; H38-H48 AromaticContact NE2-CE1 3.06Å; H38-H48 PolarHBondContact NE2-CE1 3.33Å; H38-H48 AromaticContact NE2-CG 3.92Å; H38-H48 AromaticContact NE2-ND1 2.89Å; H38-H48 PolarHBondContact NE2-ND1 3.1Å; H48-H293 AromaticContact ND1-CE1 3.96Å; H48-H293 AromaticContact ND1-NE2 3.81Å
49	C	87.5	Confident	74.4	Confident	28 Å²	28	53.5 Å²	53.5	19%	0.189	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	102.3	172.1	-169.9	0	0	0	0	109.6	C36 V37 K47 W71	C36-C49 CarbonylContact C-O 3.59Å; C36-C49 VanDerWaalsContact CA-O 3.28Å; C36-C49 WeakPolarHBondContact CA-O 3.34Å; V37-C49 PolarHBondContact N-O 2.99Å; V37-C49 WeakPolarHBondContact O-CA 3.32Å; V37-C49 WeakPolarHBondContact O-CB 3.29Å; V37-C49 PolarHBondContact O-N 3.3Å; K47-C49 PolarHBondContact O-N 2.85Å; C49-W71 HydrophobicContact CB-CH2 4.45Å; C49-W71 WeakPolarHBondContact O-CZ2 3.45Å
50	A	91.7	Very high	74.4	Confident	33 Å²	33	55.4 Å²	55.4	27%	0.273	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	135.9	176.1	0	0	0	0	0	111.3	N74	A50-N74 WeakPolarHBondContact O-CB 3.14Å; A50-N74 PolarHBondContact O-N 3.5Å
51	G	91.4	Very high	74.4	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	169	177.4	0	0	0	0	0	114.4	N34 V35 C72 N74	N34-G51 PolarHBondContact N-O 2.96Å; V35-G51 PolarHBondContact N-O 2.88Å; V35-G51 PolarHBondContact O-N 2.69Å; G51-C72 CarbonylContact C-O 3.58Å; G51-C72 WeakPolarHBondContact CA-O 3.14Å; G51-N74 WeakPolarHBondContact CA-OD1 3.33Å
52	Y	93.1	Very high	74.7	Confident	46 Å²	46	67.1 Å²	67.1	18%	0.18	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	120.4	171.7	-173.2	-99.2	0	0	0	109.6	S31 N33 W71 C72 N74 L77 L84 L87	S31-Y52 WeakPolarHBondContact CB-OH 3.25Å; N33-Y52 HydrophobicContact CB-CD2 4.27Å; Y52-W71 WeakPolarHBondContact O-CA 3.25Å; Y52-C72 PolarHBondContact N-O 3.06Å; Y52-C72 PolarHBondContact O-N 2.86Å; Y52-N74 PolarHBondContact N-OD1 3.05Å; Y52-L77 HydrophobicContact CG-CD1 4.16Å; Y52-L84 HydrophobicContact CD1-CD2 4.19Å; Y52-L84 HydrophobicContact CE1-CD2 3.99Å; Y52-L87 HydrophobicContact CD1-CD1 4.32Å
53	F	94.5	Very high	75.7	Confident	0 Å²	0	64 Å²	64	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.2	179	-177	-85.7	0	0	0	109.8	Y30 S31 K32 V35 V55 L69 Q70 W71 L278 F290 F292 L300	Y30-F53 AromaticContact CD1-CD1 3.84Å; Y30-F53 HydrophobicContact CD1-CD1 3.84Å; Y30-F53 AromaticContact CD1-CE1 3.97Å; Y30-F53 HydrophobicContact CD1-CE1 3.97Å; Y30-F53 AromaticContact CE1-CD1 3.74Å; Y30-F53 HydrophobicContact CE1-CD1 3.74Å; Y30-F53 HydrophobicContact CE1-CE1 4.01Å; S31-F53 CarbonylContact C-O 3.56Å; S31-F53 VanDerWaalsContact CA-O 3.22Å; S31-F53 WeakPolarHBondContact CA-O 3.43Å; K32-F53 PolarHBondContact N-O 3.43Å; K32-F53 PolarHBondContact O-N 2.94Å; V35-F53 HydrophobicContact CB-CB 3.83Å; V35-F53 HydrophobicContact CG1-CB 4.26Å; V35-F53 HydrophobicContact CG1-CD2 4.21Å; V35-F53 HydrophobicContact CG1-CG 4.45Å; V35-F53 HydrophobicContact CG2-CB 3.63Å; V35-F53 HydrophobicContact CG2-CG 4.24Å; F53-V55 HydrophobicContact CE1-CG2 3.64Å; F53-V55 HydrophobicContact CZ-CG2 4.21Å; F53-L69 HydrophobicContact CD2-CD2 4.32Å; F53-L69 HydrophobicContact CE2-CD1 3.66Å; F53-L69 HydrophobicContact CE2-CD2 3.65Å; F53-L69 HydrophobicContact CE2-CG 3.58Å; F53-L69 HydrophobicContact CZ-CD1 3.54Å; F53-L69 HydrophobicContact CZ-CD2 4.18Å; F53-L69 HydrophobicContact CZ-CG 3.56Å; F53-Q70 CarbonylContact C-O 3.53Å; F53-Q70 WeakPolarHBondContact CA-O 3.34Å; F53-W71 HydrophobicContact CD2-CB 4.39Å; F53-L278 HydrophobicContact CE2-CD2 3.89Å; F53-L278 HydrophobicContact CZ-CD2 3.63Å; F53-F290 HydrophobicContact CD2-CD1 4.19Å; F53-F290 HydrophobicContact CD2-CE1 4.44Å; F53-F290 HydrophobicContact CD2-CG 4.42Å; F53-F290 HydrophobicContact CE2-CD1 4.32Å; F53-F290 HydrophobicContact CE2-CD2 4.24Å; F53-F290 HydrophobicContact CE2-CE2 4.41Å; F53-F290 HydrophobicContact CE2-CG 4.17Å; F53-F292 HydrophobicContact CD1-CZ 4.39Å; F53-F292 HydrophobicContact CE1-CZ 4.37Å; F53-F292 HydrophobicContact CZ-CZ 4.5Å; F53-L300 HydrophobicContact CE1-CD1 3.87Å; F53-L300 HydrophobicContact CE1-CD2 4.23Å; F53-L300 HydrophobicContact CZ-CD1 4.5Å; F53-L300 HydrophobicContact CZ-CD2 4.27Å
54	S	93.7	Very high	77.3	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.014	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	150.8	176.1	46.3	0	0	0	0	112.6	Y30 L69 Q70	Y30-S54 CarbonylContact O-C 3.58Å; Y30-S54 VanDerWaalsContact O-CA 3.25Å; Y30-S54 WeakPolarHBondContact O-CA 3.34Å; S54-L69 WeakPolarHBondContact O-CA 3.47Å; S54-Q70 PolarHBondContact N-O 2.92Å; S54-Q70 PolarHBondContact O-N 2.8Å; S54-Q70 PolarHBondContact OG-OE1 2.77Å
55	V	93.5	Very high	78.8	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	123.9	170.3	-174.7	0	0	0	0	108.8	I29 Y30 F53 L67 L68 L300 F304	I29-V55 PolarHBondContact N-O 3.19Å; Y30-V55 HydrophobicContact CD1-CG2 4.39Å; Y30-V55 PolarHBondContact N-O 3.08Å; Y30-V55 PolarHBondContact O-N 2.96Å; F53-V55 HydrophobicContact CE1-CG2 3.64Å; F53-V55 HydrophobicContact CZ-CG2 4.21Å; V55-L67 HydrophobicContact CG1-CB 3.95Å; V55-L67 HydrophobicContact CG1-CD1 4.15Å; V55-L67 HydrophobicContact CG1-CD2 4.08Å; V55-L67 HydrophobicContact CG1-CG 4.3Å; V55-L68 CarbonylContact C-O 3.22Å; V55-L68 WeakPolarHBondContact CA-O 3.37Å; V55-L300 HydrophobicContact CG2-CD1 3.81Å; V55-F304 HydrophobicContact CG1-CE1 4.27Å; V55-F304 HydrophobicContact CG2-CE1 4.25Å; V55-F304 HydrophobicContact CG2-CZ 4.28Å
56	I	91.9	Very high	80.4	Confident	7 Å²	7	56.1 Å²	56.1	4%	0.036	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	136.3	-176.1	-57.1	173	0	0	0	109.1	E27 L28 L67 L68 L87	E27-I56 CarbonylContact O-C 3.51Å; E27-I56 WeakPolarHBondContact O-CA 3.49Å; L28-I56 HydrophobicContact CD1-CG1 4.02Å; I56-L67 CarbonylContact O-C 3.12Å; I56-L67 WeakPolarHBondContact O-CA 3.32Å; I56-L68 HydrophobicContact CB-CB 4.38Å; I56-L68 PolarHBondContact N-O 2.87Å; I56-L68 PolarHBondContact O-N 3.4Å; I56-L87 WeakPolarHBondContact CD1-O 3.33Å
57	C	89.4	Confident	81.8	Confident	1 Å²	1	53 Å²	53	1%	0.007	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	128.4	170.8	-162.4	0	0	0	0	109.7	G23 K24 G26 E27 I29	G23-C57 PolarHBondContact O-SG 2.94Å; K24-C57 VanDerWaalsContact O-CB 3.27Å; K24-C57 WeakPolarHBondContact O-CB 3.29Å; G26-C57 WeakPolarHBondContact CA-O 3.43Å; G26-C57 PolarHBondContact N-O 3.31Å; E27-C57 PolarHBondContact O-N 3.49Å; I29-C57 HydrophobicContact CD1-CB 3.62Å; I29-C57 HydrophobicContact CG1-CB 4.08Å
58	Q	85	Confident	82.7	Confident	88 Å²	88	48.9 Å²	48.9	41%	0.411	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	125.6	170.7	-171.6	175.3	11.3	0	0	109.3	D25 T66	D25-Q58 WeakPolarHBondContact OD1-CA 3.49Å; Q58-T66 HydrophobicContact CB-CG2 3.88Å; Q58-T66 HydrophobicContact CG-CG2 4.47Å; Q58-T66 PolarHBondContact N-O 3.27Å; Q58-T66 PolarHBondContact O-N 2.91Å; Q58-T66 VanDerWaalsContact O-O 3.11Å
59	K	77.7	Confident	83.3	Confident	95 Å²	95	43.8 Å²	43.8	41%	0.413	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.6	175.9	-61.9	-169.2	178.4	-178.8	0	109	G23 D25	G23-K59 VanDerWaalsContact O-CE 3.29Å; G23-K59 WeakPolarHBondContact O-CE 3.42Å; D25-K59 HydrophobicContact CB-CB 3.98Å; D25-K59 HydrophobicContact CB-CD 4.21Å; D25-K59 HydrophobicContact CB-CG 3.96Å; D25-K59 PolarHBondContact OD1-N 2.78Å
60	N	66.4	Low	83.6	Confident	78 Å²	78	43.3 Å²	43.3	42%	0.417	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.7	169.6	-177.8	1.1	0	0	0	108.3	T62 S63 G64	N60-T62 PolarHBondContact ND2-OG1 3.25Å; N60-T62 PolarHBondContact O-N 3.47Å; N60-T62 PolarHBondContact OD1-N 3.05Å; N60-T62 PolarHBondContact OD1-OG1 3.18Å; N60-T62 VanDerWaalsContact OD1-OG1 3.11Å; N60-S63 VanDerWaalsContact CB-OG 3.32Å; N60-S63 WeakPolarHBondContact CB-OG 3.07Å; N60-S63 PolarHBondContact ND2-OG 3.13Å; N60-S63 VanDerWaalsContact ND2-OG 3.13Å; N60-G64 PolarHBondContact N-O 3.37Å; N60-G64 PolarHBondContact O-N 3.33Å; N60-G64 VanDerWaalsContact O-N 3.1Å
61	E	60.2	Low	83.7	Confident	205 Å²	205	42.1 Å²	42.1	96%	0.958	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-28.1	-178.8	-63.8	-175.4	163.3	0	0	112.4
62	T	59.5	Low	83.7	Confident	128 Å²	128	42.1 Å²	42.1	79%	0.785	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-33.2	-175.6	51.7	0	0	0	0	114.6	N60	N60-T62 PolarHBondContact ND2-OG1 3.25Å; N60-T62 PolarHBondContact O-N 3.47Å; N60-T62 PolarHBondContact OD1-N 3.05Å; N60-T62 PolarHBondContact OD1-OG1 3.18Å; N60-T62 VanDerWaalsContact OD1-OG1 3.11Å
63	S	61.3	Low	83.5	Confident	77 Å²	77	40.3 Å²	40.3	54%	0.538	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	2.1	-173.9	66.7	0	0	0	0	114.5	N60	N60-S63 VanDerWaalsContact CB-OG 3.32Å; N60-S63 WeakPolarHBondContact CB-OG 3.07Å; N60-S63 PolarHBondContact ND2-OG 3.13Å; N60-S63 VanDerWaalsContact ND2-OG 3.13Å
64	G	72.3	Confident	83.3	Confident	37 Å²	37	41.6 Å²	41.6	38%	0.381	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	77.8	-159.5	-175.1	0	0	0	0	0	113.2	N60	N60-G64 PolarHBondContact N-O 3.37Å; N60-G64 PolarHBondContact O-N 3.33Å; N60-G64 VanDerWaalsContact O-N 3.1Å
65	S	78	Confident	82.9	Confident	58 Å²	58	46.7 Å²	46.7	41%	0.406	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	121.7	179.6	-54.9	0	0	0	0	110.9	W307	S65-W307 PolarHBondContact O-NE1 3.29Å
66	T	86.8	Confident	82.4	Confident	7 Å²	7	47.1 Å²	47.1	4%	0.043	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	171.2	169.4	-165.5	0	0	0	0	111.1	Q58 D257 S259	Q58-T66 HydrophobicContact CB-CG2 3.88Å; Q58-T66 HydrophobicContact CG-CG2 4.47Å; Q58-T66 PolarHBondContact N-O 3.27Å; Q58-T66 PolarHBondContact O-N 2.91Å; Q58-T66 VanDerWaalsContact O-O 3.11Å; T66-D257 WeakPolarHBondContact CG2-OD1 3.31Å; T66-D257 PolarHBondContact OG1-OD1 2.91Å; T66-S259 VanDerWaalsContact OG1-CB 3.3Å; T66-S259 WeakPolarHBondContact OG1-CB 3.07Å; T66-S259 PolarHBondContact OG1-N 2.77Å; T66-S259 PolarHBondContact OG1-OG 3.21Å
67	L	90.7	Very high	81.9	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	130.5	174.9	-66.6	-177.6	0	0	0	108.9	I22 I29 V55 I56 L258 I303 F304 W307	I22-L67 HydrophobicContact CG2-CD2 3.72Å; I29-L67 HydrophobicContact CD1-CD2 3.31Å; V55-L67 HydrophobicContact CG1-CB 3.95Å; V55-L67 HydrophobicContact CG1-CD1 4.15Å; V55-L67 HydrophobicContact CG1-CD2 4.08Å; V55-L67 HydrophobicContact CG1-CG 4.3Å; I56-L67 CarbonylContact O-C 3.12Å; I56-L67 WeakPolarHBondContact O-CA 3.32Å; L67-L258 HydrophobicContact CB-CB 4.26Å; L67-L258 HydrophobicContact CB-CD1 3.64Å; L67-L258 HydrophobicContact CB-CG 3.97Å; L67-L258 HydrophobicContact CD1-CD1 4.07Å; L67-L258 HydrophobicContact CG-CD1 4.49Å; L67-L258 WeakPolarHBondContact O-CB 3.41Å; L67-L258 WeakPolarHBondContact O-CG 3.44Å; L67-L258 PolarHBondContact O-N 3.11Å; L67-I303 HydrophobicContact CD1-CG2 4.1Å; L67-F304 HydrophobicContact CD1-CD1 3.79Å; L67-F304 HydrophobicContact CD1-CE1 4.02Å; L67-W307 HydrophobicContact CD1-CB 3.71Å; L67-W307 HydrophobicContact CD1-CD2 3.88Å; L67-W307 HydrophobicContact CD1-CE3 4.26Å; L67-W307 HydrophobicContact CD1-CG 3.61Å; L67-W307 HydrophobicContact CG-CB 4.39Å; L67-W307 HydrophobicContact CG-CD2 4.1Å; L67-W307 HydrophobicContact CG-CG 3.86Å
68	L	91.4	Very high	81.5	Confident	30 Å²	30	54.3 Å²	54.3	16%	0.157	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	114.6	173	-168.5	72.8	0	0	0	108.8	V55 I56 Q70 V255 D257	V55-L68 CarbonylContact C-O 3.22Å; V55-L68 WeakPolarHBondContact CA-O 3.37Å; I56-L68 HydrophobicContact CB-CB 4.38Å; I56-L68 PolarHBondContact N-O 2.87Å; I56-L68 PolarHBondContact O-N 3.4Å; L68-Q70 HydrophobicContact CD2-CG 4.23Å; L68-Q70 HydrophobicContact CG-CG 4.26Å; L68-V255 HydrophobicContact CD1-CG1 3.54Å; L68-V255 HydrophobicContact CD2-CG1 4.01Å; L68-V255 HydrophobicContact CG-CG1 3.84Å; L68-D257 HydrophobicContact CD1-CB 4.38Å
69	L	93.3	Very high	81.2	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	130	172.6	-178.3	167	0	0	0	108.7	F53 S54 F254 V255 A256 L258 L278 V280 F290	F53-L69 HydrophobicContact CD2-CD2 4.32Å; F53-L69 HydrophobicContact CE2-CD1 3.66Å; F53-L69 HydrophobicContact CE2-CD2 3.65Å; F53-L69 HydrophobicContact CE2-CG 3.58Å; F53-L69 HydrophobicContact CZ-CD1 3.54Å; F53-L69 HydrophobicContact CZ-CD2 4.18Å; F53-L69 HydrophobicContact CZ-CG 3.56Å; S54-L69 WeakPolarHBondContact O-CA 3.47Å; L69-F254 HydrophobicContact CD2-CD1 3.86Å; L69-F254 HydrophobicContact CD2-CE1 3.78Å; L69-V255 CarbonylContact O-C 3.42Å; L69-V255 WeakPolarHBondContact O-CA 3.38Å; L69-A256 PolarHBondContact N-O 3.31Å; L69-A256 PolarHBondContact O-N 2.94Å; L69-L258 HydrophobicContact CB-CD2 3.78Å; L69-L258 HydrophobicContact CB-CG 4.39Å; L69-L258 HydrophobicContact CD1-CD2 4Å; L69-L278 HydrophobicContact CD1-CD2 3.8Å; L69-V280 HydrophobicContact CD1-CG1 4.14Å; L69-F290 HydrophobicContact CD1-CE2 4.34Å; L69-F290 HydrophobicContact CD2-CE2 4.1Å; L69-F290 HydrophobicContact CD2-CZ 3.91Å
70	Q	93.4	Very high	81	Confident	17 Å²	17	55.2 Å²	55.2	8%	0.079	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	143.4	175.8	-57.2	176.9	-42.9	0	0	110.3	F53 S54 L68 L87 F254 V255	F53-Q70 CarbonylContact C-O 3.53Å; F53-Q70 WeakPolarHBondContact CA-O 3.34Å; S54-Q70 PolarHBondContact N-O 2.92Å; S54-Q70 PolarHBondContact O-N 2.8Å; S54-Q70 PolarHBondContact OG-OE1 2.77Å; L68-Q70 HydrophobicContact CD2-CG 4.23Å; L68-Q70 HydrophobicContact CG-CG 4.26Å; Q70-L87 HydrophobicContact CB-CD2 3.96Å; Q70-L87 VanDerWaalsContact CD-CD2 3.49Å; Q70-L87 HydrophobicContact CG-CD2 4.3Å; Q70-F254 CarbonylContact C-O 3.57Å; Q70-F254 VanDerWaalsContact CA-O 3.31Å; Q70-F254 WeakPolarHBondContact CA-O 3.12Å; Q70-V255 HydrophobicContact CG-CG1 4.17Å; Q70-V255 HydrophobicContact CG-CG2 4.13Å
71	W	93.6	Very high	81.2	Confident	8 Å²	8	55.8 Å²	55.8	3%	0.03	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	133.4	171.4	179.8	91.9	0	0	0	110.4	V35 V37 C49 Y52 F53 P73 F254 F290	V35-W71 PolarHBondContact O-NE1 3.26Å; V37-W71 HydrophobicContact CB-CH2 3.83Å; V37-W71 HydrophobicContact CB-CZ2 3.8Å; V37-W71 HydrophobicContact CB-CZ3 4.45Å; V37-W71 HydrophobicContact CG2-CD2 3.94Å; V37-W71 HydrophobicContact CG2-CE3 4.22Å; V37-W71 HydrophobicContact CG2-CH2 3.82Å; V37-W71 HydrophobicContact CG2-CZ2 3.55Å; V37-W71 HydrophobicContact CG2-CZ3 4.16Å; C49-W71 HydrophobicContact CB-CH2 4.45Å; C49-W71 WeakPolarHBondContact O-CZ2 3.45Å; Y52-W71 WeakPolarHBondContact O-CA 3.25Å; F53-W71 HydrophobicContact CD2-CB 4.39Å; W71-P73 HydrophobicContact CE3-CG 4.34Å; W71-P73 HydrophobicContact CH2-CB 4.23Å; W71-P73 HydrophobicContact CH2-CG 3.53Å; W71-P73 HydrophobicContact CZ2-CG 4.4Å; W71-P73 HydrophobicContact CZ3-CG 3.49Å; W71-P73 VanDerWaalsContact CZ3-CG 3.49Å; W71-F254 HydrophobicContact CB-CB 4.35Å; W71-F254 HydrophobicContact CE3-CB 4.43Å; W71-F254 PolarHBondContact N-O 2.91Å; W71-F254 PolarHBondContact O-N 2.85Å; W71-F290 HydrophobicContact CB-CD1 4.41Å; W71-F290 HydrophobicContact CB-CE1 3.58Å; W71-F290 HydrophobicContact CB-CZ 4.25Å; W71-F290 AromaticContact CD1-CD1 3.97Å; W71-F290 AromaticContact CD1-CE1 3.94Å; W71-F290 HydrophobicContact CD2-CE1 4.18Å; W71-F290 HydrophobicContact CG-CD1 4.12Å; W71-F290 AromaticContact CG-CE1 3.62Å; W71-F290 HydrophobicContact CG-CE1 3.62Å
72	C	91	Very high	81.4	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	126	-179.9	-171.3	0	0	0	0	109.8	G51 Y52 L77 L87 M253	G51-C72 CarbonylContact C-O 3.58Å; G51-C72 WeakPolarHBondContact CA-O 3.14Å; Y52-C72 PolarHBondContact N-O 3.06Å; Y52-C72 PolarHBondContact O-N 2.86Å; C72-L77 HydrophobicContact CB-CD1 4.48Å; C72-L77 HydrophobicContact CB-CD2 4.25Å; C72-L77 HydrophobicContact CB-CG 4.21Å; C72-L87 HydrophobicContact CB-CD1 4.49Å; C72-M253 HydrophobicContact CB-CE 4.35Å
73	P	90.8	Very high	81.6	Confident	9 Å²	9	44.9 Å²	44.9	6%	0.058	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	141.9	174.5	-27.1	34.2	0	0	0	112.4	W71 E75 S76 L77 S252	W71-P73 HydrophobicContact CE3-CG 4.34Å; W71-P73 HydrophobicContact CH2-CB 4.23Å; W71-P73 HydrophobicContact CH2-CG 3.53Å; W71-P73 HydrophobicContact CZ2-CG 4.4Å; W71-P73 HydrophobicContact CZ3-CG 3.49Å; W71-P73 VanDerWaalsContact CZ3-CG 3.49Å; P73-E75 PolarHBondContact O-N 3.03Å; P73-S76 WeakPolarHBondContact O-CB 3.39Å; P73-S76 PolarHBondContact O-N 3.28Å; P73-L77 PolarHBondContact O-N 2.89Å; P73-S252 WeakPolarHBondContact CD-O 3.27Å; P73-S252 WeakPolarHBondContact CD-OG 3.35Å; P73-S252 VanDerWaalsContact CG-OG 3.29Å; P73-S252 WeakPolarHBondContact CG-OG 3.27Å
74	N	89	Confident	81.7	Confident	27 Å²	27	44.7 Å²	44.7	14%	0.144	25%	0.25	C	S	.	.	H	α-helix	trans	-62.4	-34.3	177.6	-75.7	-13.2	0	0	0	111.7	N33 N34 A50 G51 Y52 S76 L77 Q78	N33-N74 PolarHBondContact OD1-ND2 3.07Å; N33-N74 PolarHBondContact OD1-OD1 3.29Å; N34-N74 PolarHBondContact OD1-ND2 3.14Å; N34-N74 VanDerWaalsContact OD1-ND2 3.13Å; A50-N74 WeakPolarHBondContact O-CB 3.14Å; A50-N74 PolarHBondContact O-N 3.5Å; G51-N74 WeakPolarHBondContact CA-OD1 3.33Å; Y52-N74 PolarHBondContact N-OD1 3.05Å; N74-S76 VanDerWaalsContact C-N 3.31Å; N74-S76 PolarHBondContact O-N 3.28Å; N74-L77 PolarHBondContact O-N 3.31Å; N74-Q78 VanDerWaalsContact O-CG 3.29Å; N74-Q78 WeakPolarHBondContact O-CG 3.47Å; N74-Q78 PolarHBondContact O-N 2.89Å
75	E	85.9	Confident	81	Confident	108 Å²	108	45.3 Å²	45.3	51%	0.505	25%	0.252	S	S	.	.	H	α-helix	trans	-58.2	-42.5	173.1	-63.4	-179.6	-173.6	0	0	111.7	K47 P73 Q78 K79	K47-E75 IonicContact NZ-OE1 3.72Å; P73-E75 PolarHBondContact O-N 3.03Å; E75-Q78 PolarHBondContact O-N 3.47Å; E75-K79 WeakPolarHBondContact O-CG 3.36Å; E75-K79 PolarHBondContact O-N 3.33Å
76	S	83.4	Confident	79.9	Confident	10 Å²	10	46.3 Å²	46.3	7%	0.07	26%	0.259	C	S	.	.	H	α-helix	trans	-70.3	-35.2	177.7	-67.7	0	0	0	0	112.5	P73 N74 H80 S252	P73-S76 WeakPolarHBondContact O-CB 3.39Å; P73-S76 PolarHBondContact O-N 3.28Å; N74-S76 VanDerWaalsContact C-N 3.31Å; N74-S76 PolarHBondContact O-N 3.28Å; S76-H80 PolarHBondContact O-N 3.32Å; S76-S252 PolarHBondContact OG-OG 3.48Å
77	L	81.4	Confident	78.5	Confident	20 Å²	20	46.2 Å²	46.2	11%	0.105	26%	0.259	C	S	.	.	H	α-helix	trans	-69.6	-37	174.5	-72.3	179.3	0	0	0	112.9	Y52 C72 P73 N74 H80 P81 R83 L84 L87	Y52-L77 HydrophobicContact CG-CD1 4.16Å; C72-L77 HydrophobicContact CB-CD1 4.48Å; C72-L77 HydrophobicContact CB-CD2 4.25Å; C72-L77 HydrophobicContact CB-CG 4.21Å; P73-L77 PolarHBondContact O-N 2.89Å; N74-L77 PolarHBondContact O-N 3.31Å; L77-H80 CarbonylContact O-C 3.57Å; L77-H80 PolarHBondContact O-N 3.24Å; L77-P81 WeakPolarHBondContact O-CA 3.3Å; L77-P81 VanDerWaalsContact O-N 3.11Å; L77-R83 HydrophobicContact CD2-CB 4.15Å; L77-L84 HydrophobicContact CD2-CG 4.1Å; L77-L87 HydrophobicContact CD2-CD1 4.3Å
78	Q	79.8	Confident	76.7	Confident	139 Å²	139	47.4 Å²	47.4	65%	0.65	27%	0.267	S	S	*	.	H	α-helix	trans	-65.2	-40.7	175.7	-74.1	173.3	2.7	0	0	111.5	N74 E75	N74-Q78 VanDerWaalsContact O-CG 3.29Å; N74-Q78 WeakPolarHBondContact O-CG 3.47Å; N74-Q78 PolarHBondContact O-N 2.89Å; E75-Q78 PolarHBondContact O-N 3.47Å
79	K	79.3	Confident	74.6	Confident	126 Å²	126	49.8 Å²	49.8	55%	0.548	28%	0.284	S	S	.	.	H	α-helix	trans	-69.2	-34.9	175	-70.2	177.4	179	-178.1	0	112.8	E75 D250	E75-K79 WeakPolarHBondContact O-CG 3.36Å; E75-K79 PolarHBondContact O-N 3.33Å; K79-D250 IonicContact NZ-OD1 3.51Å
80	H	74.6	Confident	72.5	Confident	76 Å²	76	57.5 Å²	57.5	35%	0.352	31%	0.313	S	S	.	.			trans	-134.6	74.5	-174.9	-58	-60.1	0	0	0	112.2	S76 L77 G82 R83	S76-H80 PolarHBondContact O-N 3.32Å; L77-H80 CarbonylContact O-C 3.57Å; L77-H80 PolarHBondContact O-N 3.24Å; H80-G82 PolarHBondContact O-N 3.42Å; H80-G82 VanDerWaalsContact O-N 3.14Å; H80-R83 HydrophobicContact CB-CG 3.86Å; H80-R83 PolarHBondContact CD2-NH2 2.98Å; H80-R83 VanDerWaalsContact CD2-NH2 3.33Å; H80-R83 WeakPolarHBondContact O-CB 3.46Å; H80-R83 WeakPolarHBondContact O-CG 3.43Å; H80-R83 PolarHBondContact O-N 2.86Å
81	P	69	Low	69.8	Low	89 Å²	89	62.3 Å²	62.3	58%	0.578	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-27	-177.1	21.3	-32	0	0	0	113.1	L77 R83 L84	L77-P81 WeakPolarHBondContact O-CA 3.3Å; L77-P81 VanDerWaalsContact O-N 3.11Å; P81-R83 PolarHBondContact O-N 3Å; P81-R83 VanDerWaalsContact O-N 3.09Å; P81-L84 PolarHBondContact O-N 3.06Å; P81-L84 VanDerWaalsContact O-N 3.14Å
82	G	65.3	Low	66.9	Low	58 Å²	58	65 Å²	65	60%	0.598	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.9	173.5	0	0	0	0	0	114.3	H80 L84 A85 S86	H80-G82 PolarHBondContact O-N 3.42Å; H80-G82 VanDerWaalsContact O-N 3.14Å; G82-L84 PolarHBondContact O-N 2.88Å; G82-A85 WeakPolarHBondContact O-CB 3.22Å; G82-A85 PolarHBondContact O-N 2.88Å; G82-A85 VanDerWaalsContact O-N 3.09Å; G82-S86 PolarHBondContact O-N 2.86Å
83	R	64	Low	64.1	Low	46 Å²	46	73.1 Å²	73.1	17%	0.174	41%	0.407	C	S	.	.	H	α-helix	trans	-64.1	-28.6	175.2	-70.9	-174.7	-176.9	-177.4	5.8	112.5	L77 H80 P81 A85 S86 L87 D250 M253	L77-R83 HydrophobicContact CD2-CB 4.15Å; H80-R83 HydrophobicContact CB-CG 3.86Å; H80-R83 PolarHBondContact CD2-NH2 2.98Å; H80-R83 VanDerWaalsContact CD2-NH2 3.33Å; H80-R83 WeakPolarHBondContact O-CB 3.46Å; H80-R83 WeakPolarHBondContact O-CG 3.43Å; H80-R83 PolarHBondContact O-N 2.86Å; P81-R83 PolarHBondContact O-N 3Å; P81-R83 VanDerWaalsContact O-N 3.09Å; R83-A85 PolarHBondContact O-N 3.11Å; R83-S86 WeakPolarHBondContact CA-OG 3.44Å; R83-S86 PolarHBondContact O-N 3.12Å; R83-S86 VanDerWaalsContact O-N 3.08Å; R83-S86 PolarHBondContact O-OG 3.18Å; R83-L87 VanDerWaalsContact O-CG 3.26Å; R83-L87 WeakPolarHBondContact O-CG 3.46Å; R83-L87 PolarHBondContact O-N 3.32Å; R83-D250 PolarHBondContact NH1-O 3.46Å; R83-D250 PolarHBondContact NH2-O 3.34Å; R83-M253 HydrophobicContact CB-CE 4.35Å
84	L	62.4	Low	61.2	Low	73 Å²	73	77 Å²	77	38%	0.382	43%	0.43	S	S	.	.	H	α-helix	trans	-60.3	-35.7	172.7	-80.9	158.9	0	0	0	112.2	Y52 L77 P81 G82 L87 S88	Y52-L84 HydrophobicContact CD1-CD2 4.19Å; Y52-L84 HydrophobicContact CE1-CD2 3.99Å; L77-L84 HydrophobicContact CD2-CG 4.1Å; P81-L84 PolarHBondContact O-N 3.06Å; P81-L84 VanDerWaalsContact O-N 3.14Å; G82-L84 PolarHBondContact O-N 2.88Å; L84-L87 HydrophobicContact CD2-CD1 4.42Å; L84-L87 PolarHBondContact O-N 3.39Å; L84-S88 PolarHBondContact O-N 2.87Å
85	A	57.2	Low	58.4	Low	51 Å²	51	80.2 Å²	80.2	42%	0.421	46%	0.455	S	S	.	.	H	α-helix	trans	-68.9	-35.2	175.2	0	0	0	0	0	111.8	G82 R83 L87 S88	G82-A85 WeakPolarHBondContact O-CB 3.22Å; G82-A85 PolarHBondContact O-N 2.88Å; G82-A85 VanDerWaalsContact O-N 3.09Å; R83-A85 PolarHBondContact O-N 3.11Å; A85-L87 VanDerWaalsContact C-N 3.31Å; A85-L87 PolarHBondContact O-N 2.92Å; A85-S88 CarbonylContact O-C 3.44Å; A85-S88 PolarHBondContact O-N 2.82Å
86	S	56.8	Low	55.8	Low	79 Å²	79	80.3 Å²	80.3	55%	0.552	47%	0.467	S	S	*	.	H	α-helix	trans	-71	-24.5	172.7	64.2	0	0	0	0	113.8	G82 R83 S88	G82-S86 PolarHBondContact O-N 2.86Å; R83-S86 WeakPolarHBondContact CA-OG 3.44Å; R83-S86 PolarHBondContact O-N 3.12Å; R83-S86 VanDerWaalsContact O-N 3.08Å; R83-S86 PolarHBondContact O-OG 3.18Å; S86-S88 PolarHBondContact O-N 2.97Å
87	L	55.4	Low	53.4	Low	5 Å²	5	87.3 Å²	87.3	3%	0.026	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-1.5	174.9	-67.6	166.2	0	0	0	112.6	Y52 I56 Q70 C72 L77 R83 L84 A85 M253	Y52-L87 HydrophobicContact CD1-CD1 4.32Å; I56-L87 WeakPolarHBondContact CD1-O 3.33Å; Q70-L87 HydrophobicContact CB-CD2 3.96Å; Q70-L87 VanDerWaalsContact CD-CD2 3.49Å; Q70-L87 HydrophobicContact CG-CD2 4.3Å; C72-L87 HydrophobicContact CB-CD1 4.49Å; L77-L87 HydrophobicContact CD2-CD1 4.3Å; R83-L87 VanDerWaalsContact O-CG 3.26Å; R83-L87 WeakPolarHBondContact O-CG 3.46Å; R83-L87 PolarHBondContact O-N 3.32Å; L84-L87 HydrophobicContact CD2-CD1 4.42Å; L84-L87 PolarHBondContact O-N 3.39Å; A85-L87 VanDerWaalsContact C-N 3.31Å; A85-L87 PolarHBondContact O-N 2.92Å; L87-M253 HydrophobicContact CD1-CE 4.26Å; L87-M253 HydrophobicContact CD2-CE 3.7Å; L87-M253 HydrophobicContact CD2-SD 3.68Å; L87-M253 HydrophobicContact CG-CE 4.03Å
88	S	52.9	Low	51.1	Low	25 Å²	25	89.5 Å²	89.5	18%	0.175	52%	0.516	C	S	.	.	S	Bend	trans	-143.4	98.1	175.7	-88.7	0	0	0	0	110.3	L84 A85 S86 R90 L91	L84-S88 PolarHBondContact O-N 2.87Å; A85-S88 CarbonylContact O-C 3.44Å; A85-S88 PolarHBondContact O-N 2.82Å; S86-S88 PolarHBondContact O-N 2.97Å; S88-R90 PolarHBondContact O-N 2.87Å; S88-L91 PolarHBondContact O-N 3.47Å; S88-L91 VanDerWaalsContact O-N 3.14Å
89	P	47.7	Very low	48.8	Very low	79 Å²	79	87 Å²	87	51%	0.513	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-9.5	-173.7	-26.1	33.1	0	0	0	116.3
90	R	48.8	Very low	46.7	Very low	162 Å²	162	87.2 Å²	87.2	61%	0.611	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-6.3	-178	-67.6	-171.7	179	-151.5	-2	115.8	D25 S88 G92	D25-R90 PolarHBondContact O-NH2 2.85Å; S88-R90 PolarHBondContact O-N 2.87Å; R90-G92 VanDerWaalsContact C-N 3.29Å; R90-G92 PolarHBondContact O-N 2.85Å
91	L	37.1	Very low	44.7	Very low	118 Å²	118	93.2 Å²	93.2	62%	0.618	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-15.4	174.7	-85.1	155.5	0	0	0	113	S88	S88-L91 PolarHBondContact O-N 3.47Å; S88-L91 VanDerWaalsContact O-N 3.14Å
92	G	32.9	Very low	43	Very low	65 Å²	65	97.4 Å²	97.4	67%	0.67	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-9.2	-178.1	0	0	0	0	0	116.8	R90	R90-G92 VanDerWaalsContact C-N 3.29Å; R90-G92 PolarHBondContact O-N 2.85Å
93	H	33.4	Very low	41.6	Very low	171 Å²	171	104.4 Å²	104.4	79%	0.792	55%	0.554	S	S	*	*			trans	-113.2	16.7	-170	-75.1	-63.5	0	0	0	115.7
94	T	28.3	Very low	40.3	Very low	89 Å²	89	108.6 Å²	108.6	55%	0.546	58%	0.576	S	S	.	*	S	Bend	trans	-101.5	99.4	162.8	53.9	0	0	0	0	109.6	S98	T94-S98 PolarHBondContact O-OG 2.69Å
95	S	31.2	Very low	39	Very low	95 Å²	95	115.7 Å²	115.7	66%	0.664	60%	0.598	S	S	*	*			trans	-20.3	124.6	159.2	50.2	0	0	0	0	114.8	E97	S95-E97 PolarHBondContact O-N 2.89Å
96	S	30.9	Very low	38.2	Very low	110 Å²	110	117.8 Å²	117.8	77%	0.769	61%	0.609	S	S	*	*	S	Bend	trans	53.3	-17.8	139.7	-163.9	0	0	0	0	121.7
97	E	33.3	Very low	37.3	Very low	157 Å²	157	120.9 Å²	120.9	73%	0.734	62%	0.62	S	S	*	*	S	Bend	trans	-112.8	-15.9	-170.6	-69.8	-173.4	150.6	0	0	113.2	S95	S95-E97 PolarHBondContact O-N 2.89Å
98	S	32.3	Very low	36.2	Very low	66 Å²	66	126.6 Å²	126.6	46%	0.462	65%	0.65	S	S	.	*	H	α-helix	trans	-86.3	-21	-178.9	43.8	0	0	0	0	113.8	T94	T94-S98 PolarHBondContact O-OG 2.69Å
99	S	32.8	Very low	35.2	Very low	88 Å²	88	135.7 Å²	135.7	62%	0.615	69%	0.687	S	S	*	*	H	α-helix	trans	-76.5	-21.7	175.2	-86.3	0	0	0	0	114.3	R103	S99-R103 PolarHBondContact O-N 3.08Å
100	E	33.8	Very low	34.5	Very low	129 Å²	129	140.4 Å²	140.4	60%	0.603	70%	0.702	S	S	*	*	H	α-helix	trans	-79.6	-33.6	177.2	-69	-156.2	149.2	0	0	112.7	F102 R103 Q104	E100-F102 VanDerWaalsContact C-N 3.29Å; E100-F102 PolarHBondContact O-N 3.43Å; E100-R103 PolarHBondContact O-N 3.43Å; E100-Q104 WeakPolarHBondContact O-CB 3.31Å; E100-Q104 WeakPolarHBondContact O-CG 3.5Å; E100-Q104 PolarHBondContact O-N 3.13Å
101	R	33.2	Very low	33.5	Very low	202 Å²	202	142.4 Å²	142.4	76%	0.762	71%	0.711	S	S	*	*	H	α-helix	trans	-69.9	-24.1	177.5	-72.1	-171.8	-169.3	-176	4.7	113.9
102	F	33	Very low	33.2	Very low	177 Å²	177	144.3 Å²	144.3	78%	0.776	72%	0.722	S	S	*	*	H	α-helix	trans	-86.1	-24.6	176.3	-135.1	-91.3	0	0	0	112.7	E100	E100-F102 VanDerWaalsContact C-N 3.29Å; E100-F102 PolarHBondContact O-N 3.43Å
103	R	35.8	Very low	32.8	Very low	205 Å²	205	149.8 Å²	149.8	77%	0.774	73%	0.73	S	S	*	*	H	α-helix	trans	-83.5	-30.6	172.5	-81.6	-177.2	172.6	162.3	-1.3	113.4	S99 E100 R105	S99-R103 PolarHBondContact O-N 3.08Å; E100-R103 PolarHBondContact O-N 3.43Å; R103-R105 VanDerWaalsContact C-N 3.32Å; R103-R105 PolarHBondContact O-N 2.63Å
104	Q	37.4	Very low	32.7	Very low	134 Å²	134	148 Å²	148	63%	0.626	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-15.3	178.7	-79	173.7	-12.5	0	0	114.2	E100	E100-Q104 WeakPolarHBondContact O-CB 3.31Å; E100-Q104 WeakPolarHBondContact O-CG 3.5Å; E100-Q104 PolarHBondContact O-N 3.13Å
105	R	34.7	Very low	32.6	Very low	222 Å²	222	148.4 Å²	148.4	84%	0.838	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-3.3	175.7	-93.7	-176.2	172.8	-173.3	-2.5	115.1	R103	R103-R105 VanDerWaalsContact C-N 3.32Å; R103-R105 PolarHBondContact O-N 2.63Å
106	S	40.7	Very low	32.4	Very low	96 Å²	96	149.1 Å²	149.1	67%	0.671	74%	0.742	S	S	*	*	S	Bend	trans	-96.7	-0.4	179.6	-64.1	0	0	0	0	114.2
107	N	36.6	Very low	32.4	Very low	144 Å²	144	147.7 Å²	147.7	77%	0.77	74%	0.738	S	S	*	*	S	Bend	trans	-108.4	-5.9	-177.9	-80.8	-4.7	0	0	0	115.3
108	D	32.6	Very low	32.4	Very low	125 Å²	125	149.5 Å²	149.5	67%	0.668	75%	0.746	S	S	*	*			trans	-116.9	103.2	174.2	-71	-35.4	0	0	0	108.5
109	F	32.6	Very low	32.5	Very low	215 Å²	215	150 Å²	150	94%	0.943	75%	0.754	S	S	*	*			trans	167.6	65	146.7	-93	-70.2	0	0	0	109
110	Q	32.6	Very low	32.5	Very low	179 Å²	179	153.4 Å²	153.4	84%	0.836	77%	0.765	S	S	*	*			trans	-94.9	132	154	-99.1	-179.7	-10.8	0	0	108.1
111	Y	27.6	Very low	32.6	Very low	203 Å²	203	152.9 Å²	152.9	80%	0.796	78%	0.776	S	S	*	*			trans	59.3	109.1	155.8	-87.7	-97.1	0	0	0	119.3
112	N	31.2	Very low	32.7	Very low	159 Å²	159	154.3 Å²	154.3	85%	0.85	78%	0.781	S	S	*	*				-177.3	143.8	103.6	-91.7	-26.4	0	0	0	113.6
113	Q	25.7	Very low	32.8	Very low	179 Å²	179	150.9 Å²	150.9	84%	0.836	78%	0.777	S	S	*	*			trans	-84.7	174.3	-174.4	-109.1	174.5	14.2	0	0	113.2
114	V	29.6	Very low	32.5	Very low	135 Å²	135	147.4 Å²	147.4	82%	0.818	77%	0.769	S	S	*	*			trans	87	117.3	160.1	-163.4	0	0	0	0	113.7
115	S	26.4	Very low	32.2	Very low	97 Å²	97	149.8 Å²	149.8	68%	0.678	79%	0.786	S	S	*	*			cis	120.6	126.8	35.5	-178.9	0	0	0	0	109.4
116	S	27.3	Very low	31.9	Very low	109 Å²	109	146.5 Å²	146.5	76%	0.762	78%	0.777	S	S	*	*			trans	68	135.9	144.2	58.1	0	0	0	0	123.6
117	A	31.5	Very low	31.4	Very low	81 Å²	81	146.9 Å²	146.9	67%	0.669	79%	0.786	S	S	*	*			trans	125	115.3	132.6	0	0	0	0	0	118
118	E	32.4	Very low	31	Very low	195 Å²	195	151.2 Å²	151.2	91%	0.911	79%	0.792	S	S	*	*			trans	69.2	146.9	138.7	-61.2	172.9	172	0	0	120.7
119	A	34.7	Very low	30.8	Very low	76 Å²	76	150.6 Å²	150.6	63%	0.628	80%	0.797	S	S	*	*			cis	-171.5	162.9	-11.1	0	0	0	0	0	108.9
120	N	34.2	Very low	30.7	Very low	160 Å²	160	147.8 Å²	147.8	86%	0.856	79%	0.791	S	S	*	*			trans	73.7	135.8	162.6	-56	-30.1	0	0	0	117.9
121	S	34.9	Very low	30.7	Very low	118 Å²	118	146.2 Å²	146.2	83%	0.825	79%	0.788	S	S	*	*			cis	-169.5	138.2	13.3	41.3	0	0	0	0	111.5
122	R	34.5	Very low	30.7	Very low	231 Å²	231	145.1 Å²	145.1	87%	0.872	79%	0.79	S	S	*	*			trans	-16.5	173.2	161.8	-95.4	-176.1	165.3	167.8	-3.8	122.6
123	P	36.3	Very low	30.9	Very low	105 Å²	105	143.1 Å²	143.1	68%	0.682	79%	0.785	S	S	*	*			cis	-139.5	156.6	-17.5	32.4	-10.9	0	0	0	118.4
124	E	28.4	Very low	30.9	Very low	133 Å²	133	142.4 Å²	142.4	62%	0.621	79%	0.786	S	S	*	*			trans	18.6	128.7	142	-57.6	-175.1	136.4	0	0	125.1	K126	E124-K126 WeakPolarHBondContact OE1-CE 3.47Å; E124-K126 IonicContact OE1-NZ 3.2Å; E124-K126 IonicContact OE2-NZ 2.68Å
125	L	32.4	Very low	30.9	Very low	184 Å²	184	144.8 Å²	144.8	96%	0.963	79%	0.786	S	S	*	*			trans	-134	121.7	132.5	-98.8	154.8	0	0	0	108.4
126	K	27.7	Very low	31	Very low	153 Å²	153	145.9 Å²	145.9	67%	0.665	79%	0.789	S	S	*	*			trans	-86.8	134.9	-168.5	-75.9	170.1	174.5	157.8	0	113.2	E124	E124-K126 WeakPolarHBondContact OE1-CE 3.47Å; E124-K126 IonicContact OE1-NZ 3.2Å; E124-K126 IonicContact OE2-NZ 2.68Å
127	A	30	Very low	31.2	Very low	104 Å²	104	147.8 Å²	147.8	86%	0.86	80%	0.796	S	S	*	*			trans	-135.5	118.7	149.1	0	0	0	0	0	107.9
128	R	29.1	Very low	31.1	Very low	234 Å²	234	155 Å²	155	88%	0.883	81%	0.806	S	S	*	*			trans	-77.8	128.7	-174.6	-78.3	174.8	165.9	172.2	-5.8	110.7
129	S	27.9	Very low	31.1	Very low	112 Å²	112	153.2 Å²	153.2	78%	0.783	80%	0.802	S	S	*	*			trans	-116.3	131.1	157.7	-162.9	0	0	0	0	106.3
130	I	31.5	Very low	31	Very low	157 Å²	157	158.2 Å²	158.2	81%	0.805	81%	0.812	S	S	*	*			trans	-110.3	104.9	179.9	-63.1	175	0	0	0	106.6
131	D	30.9	Very low	31	Very low	146 Å²	146	159.3 Å²	159.3	78%	0.781	81%	0.812	S	S	*	*			trans	-94	143.2	161.2	-89.8	-40.3	0	0	0	109.4
132	H	29.3	Very low	30.9	Very low	180 Å²	180	163.1 Å²	163.1	83%	0.833	82%	0.817	S	S	*	*			trans	-48.6	152.2	164	-101.7	-72.5	0	0	0	112.1
133	P	33.4	Very low	30.7	Very low	117 Å²	117	155.5 Å²	155.5	76%	0.76	81%	0.81	S	S	*	*				-153.3	151.9	111.4	31.3	-11	0	0	0	116.7
134	L	27	Very low	30.6	Very low	164 Å²	164	158.4 Å²	158.4	86%	0.859	82%	0.82	S	S	*	*			trans	-77.2	129.3	159.1	-78	157.4	0	0	0	110.7
135	K	29.1	Very low	30.7	Very low	184 Å²	184	157.9 Å²	157.9	80%	0.8	83%	0.826	S	S	*	*				152	123.6	121.1	-89	-176.1	176.2	177.1	0	113.7
136	T	27.5	Very low	30.9	Very low	121 Å²	121	155.4 Å²	155.4	74%	0.742	82%	0.821	S	S	*	*			trans	58.5	115.4	140.8	59.2	0	0	0	0	120.1
137	T	32.2	Very low	31.1	Very low	149 Å²	149	154.3 Å²	154.3	91%	0.914	83%	0.827	S	S	*	*				-171.4	140.3	117.2	26.7	0	0	0	0	111.5
138	R	28.8	Very low	31.4	Very low	233 Å²	233	155.8 Å²	155.8	88%	0.879	83%	0.826	S	S	*	*			trans	-44	137.8	168.6	-82	166.4	150.2	158	-8.4	113.5
139	N	33.7	Very low	31.7	Very low	156 Å²	156	149.9 Å²	149.9	83%	0.834	82%	0.821	S	S	*	*				178.9	154.2	117.4	-86.3	-15.2	0	0	0	111.6
140	H	31.2	Very low	32	Very low	182 Å²	182	153.1 Å²	153.1	84%	0.843	82%	0.823	S	S	*	*			trans	-49.4	153.1	-177.7	-83	-98.4	0	0	0	117.1
141	E	35.1	Very low	32.6	Very low	182 Å²	182	155 Å²	155	85%	0.85	83%	0.829	S	S	*	*			trans	151.5	97	143.8	-84.1	171	-172.6	0	0	108.2
142	E	31.9	Very low	32.7	Very low	198 Å²	198	155.7 Å²	155.7	93%	0.925	83%	0.832	S	S	*	*				63.8	118.2	98.6	-76.7	-171.7	174.8	0	0	115
143	G	32.1	Very low	33.2	Very low	71 Å²	71	152.1 Å²	152.1	73%	0.732	83%	0.834	S	S	*	*			trans	159.6	83.5	170.8	0	0	0	0	0	116.6
144	D	32.3	Very low	33.2	Very low	166 Å²	166	155.2 Å²	155.2	89%	0.888	84%	0.838	S	S	*	*			trans	63.7	99.1	141.4	-56.8	-22.4	0	0	0	122.9
145	T	31.8	Very low	33.5	Very low	122 Å²	122	155 Å²	155	75%	0.748	84%	0.837	S	S	*	*			trans	-105.4	136.5	145.4	32.6	0	0	0	0	109.6	T147	T145-T147 PolarHBondContact O-N 3.02Å
146	P	36.3	Very low	33.7	Very low	132 Å²	132	151.6 Å²	151.6	86%	0.857	84%	0.837	S	S	*	*			trans	-89.1	106.3	168	31.6	-25.3	0	0	0	110.3
147	T	31.1	Very low	33.8	Very low	130 Å²	130	152 Å²	152	80%	0.798	84%	0.839	S	S	*	*			trans	-96.9	125.5	160.5	38.1	0	0	0	0	109.2	T145	T145-T147 PolarHBondContact O-N 3.02Å
148	T	36.6	Very low	34.1	Very low	136 Å²	136	154.1 Å²	154.1	83%	0.834	84%	0.839	S	S	*	*			trans	-94.2	98.6	170.1	47.7	0	0	0	0	110.4
149	S	36.7	Very low	34.3	Very low	110 Å²	110	151.1 Å²	151.1	77%	0.769	84%	0.84	S	S	*	*			trans	22.9	124	140.9	55.2	0	0	0	0	121.6
150	E	33.3	Very low	34.3	Very low	180 Å²	180	147.5 Å²	147.5	84%	0.841	84%	0.84	S	S	*	*			trans	-71.2	149.5	152.6	-63.1	169.2	148.9	0	0	111.3
151	E	43.4	Very low	34.4	Very low	197 Å²	197	146.3 Å²	146.3	92%	0.921	84%	0.84	S	S	*	*			trans	-131.8	122	154.9	-79.2	-168.9	157.2	0	0	109.1
152	D	33.8	Very low	34.4	Very low	159 Å²	159	142.8 Å²	142.8	85%	0.85	84%	0.835	S	S	*	*			trans	-74.7	142	171.4	-69.1	-57.1	0	0	0	111.9
153	A	38.7	Very low	34.5	Very low	105 Å²	105	139.6 Å²	139.6	87%	0.868	83%	0.831	S	S	*	*			trans	-155.9	128.8	149.8	0	0	0	0	0	111.6
154	E	34.7	Very low	34.7	Very low	183 Å²	183	141.2 Å²	141.2	86%	0.855	84%	0.838	S	S	*	*			trans	-77	162.7	-171.6	-56.9	175.2	130.8	0	0	115.2
155	L	33	Very low	34.7	Very low	158 Å²	158	140.7 Å²	140.7	83%	0.827	84%	0.835	S	S	*	*			trans	83.1	107.5	139.2	-139.7	80.9	0	0	0	119.6
156	S	33.9	Very low	34.7	Very low	113 Å²	113	142.9 Å²	142.9	79%	0.79	84%	0.841	S	S	*	*				151.8	135.6	107.8	55	0	0	0	0	112.8
157	T	29.2	Very low	34.6	Very low	131 Å²	131	141.2 Å²	141.2	80%	0.804	83%	0.832	S	S	*	*			trans	-68.8	145.6	178.8	43	0	0	0	0	113.1
158	E	37.6	Very low	34.8	Very low	193 Å²	193	139.6 Å²	139.6	90%	0.902	83%	0.826	S	S	*	*				-174.5	143.7	127.2	-101.3	172.4	-163.1	0	0	112.3
159	D	32.6	Very low	34.6	Very low	170 Å²	170	138.4 Å²	138.4	91%	0.909	82%	0.823	S	S	*	*			trans	-64.2	156.8	-173.8	-62.3	-68.2	0	0	0	115.1
160	G	35.4	Very low	34.6	Very low	80 Å²	80	137.9 Å²	137.9	83%	0.825	82%	0.817	S	S	*	*			trans	175.7	87.5	171.1	0	0	0	0	0	116.1
161	D	33.5	Very low	34.6	Very low	157 Å²	157	140.9 Å²	140.9	84%	0.84	82%	0.822	S	S	*	*			trans	-20.2	144.9	168.2	-102.3	-40.1	0	0	0	122.4
162	S	35.2	Very low	33.9	Very low	107 Å²	107	136.3 Å²	136.3	75%	0.748	81%	0.812	S	S	*	*			trans	95.2	133.7	136.8	-72.2	0	0	0	0	122
163	P	33.5	Very low	33.7	Very low	131 Å²	131	134 Å²	134	85%	0.851	81%	0.809	S	S	*	*			trans	-107.5	158.3	-168.1	39.6	-28.2	0	0	0	114.2
164	A	35.2	Very low	33.5	Very low	105 Å²	105	133.5 Å²	133.5	87%	0.868	81%	0.805	S	S	*	*			trans	-148.6	135.6	165.1	0	0	0	0	0	112.7
165	N	32.2	Very low	33.2	Very low	155 Å²	155	128 Å²	128	83%	0.829	80%	0.797	S	S	*	*			trans	-58.8	166.2	-175	-74.6	-46.9	0	0	0	117
166	I	33.5	Very low	33.1	Very low	169 Å²	169	129 Å²	129	87%	0.867	80%	0.797	S	S	*	*			trans	153.4	122.9	137.1	-76.5	154	0	0	0	105.5
167	S	33.2	Very low	33.1	Very low	97 Å²	97	131.1 Å²	131.1	68%	0.678	80%	0.8	S	S	*	*			cis	-171	142.2	40.1	-170.4	0	0	0	0	111.8
168	S	34.6	Very low	33.1	Very low	95 Å²	95	132.3 Å²	132.3	66%	0.664	80%	0.801	S	S	*	*			trans	46.9	110.9	144.4	57.5	0	0	0	0	120.3
169	S	32.9	Very low	33.1	Very low	111 Å²	111	129.7 Å²	129.7	78%	0.776	80%	0.798	S	S	*	*			cis	59.7	157.6	47.2	116.7	0	0	0	0	115.2
170	P	37	Very low	32.9	Very low	99 Å²	99	128.8 Å²	128.8	64%	0.643	79%	0.793	S	S	*	*			cis	-145.4	163.1	-5.5	33.1	-11.9	0	0	0	116.6
171	Y	32.4	Very low	32.8	Very low	243 Å²	243	131.3 Å²	131.3	95%	0.953	79%	0.793	S	S	*	*				-157	125.2	119.5	-122.7	-88.5	0	0	0	109
172	S	29.3	Very low	32.5	Very low	101 Å²	101	129.9 Å²	129.9	71%	0.706	79%	0.79	S	S	*	*			trans	-135.8	152.8	-162.3	-174.6	0	0	0	0	110
173	S	29.3	Very low	32.2	Very low	112 Å²	112	129.9 Å²	129.9	78%	0.783	80%	0.796	S	S	*	*			trans	70.1	137.8	144.9	165	0	0	0	0	117.3
174	A	34.7	Very low	32	Very low	94 Å²	94	127.3 Å²	127.3	78%	0.777	79%	0.794	S	S	*	*			cis	-155	164.8	30.7	0	0	0	0	0	108.3
175	G	28.6	Very low	31.7	Very low	68 Å²	68	130.3 Å²	130.3	70%	0.701	80%	0.795	S	S	*	*			cis	103.5	88.5	29.7	0	0	0	0	0	111.4
176	E	31.2	Very low	31.3	Very low	178 Å²	178	128.5 Å²	128.5	83%	0.832	80%	0.795	S	S	*	*			trans	53.4	122.8	149.3	-58	179.5	161.3	0	0	122.1
177	N	33.8	Very low	31	Very low	157 Å²	157	127.9 Å²	127.9	84%	0.84	79%	0.792	S	S	*	*				170.1	139.2	111.8	-84	-43.6	0	0	0	113
178	D	29.4	Very low	30.6	Very low	156 Å²	156	134 Å²	134	83%	0.834	80%	0.8	S	S	*	*			trans	-56	151.4	172.1	-75	-52.4	0	0	0	113.7
179	V	37.3	Very low	30.3	Very low	139 Å²	139	139.8 Å²	139.8	84%	0.842	81%	0.809	S	S	*	*				175.3	125.7	122.9	168.6	0	0	0	0	109.5
180	D	27.9	Very low	30.1	Very low	150 Å²	150	140.1 Å²	140.1	80%	0.802	81%	0.807	S	S	*	*			trans	-46.4	136.5	169	-88.5	-42.1	0	0	0	113.9
181	T	33.7	Very low	29.6	Very low	134 Å²	134	138.9 Å²	138.9	82%	0.822	81%	0.812	S	S	*	*				-156.2	128.4	130	-48.8	0	0	0	0	111.2
182	T	28.1	Very low	29.6	Very low	127 Å²	127	130.7 Å²	130.7	78%	0.779	79%	0.79	S	S	*	*			trans	-53.2	140	174.3	50.8	0	0	0	0	116.2
183	A	28.9	Very low	29.7	Very low	106 Å²	106	128.4 Å²	128.4	88%	0.876	78%	0.782	S	S	*	*				144.6	120.8	127.2	0	0	0	0	0	112.8
184	G	28.5	Very low	30	Very low	77 Å²	77	124.1 Å²	124.1	79%	0.794	75%	0.752	S	S	*	*	S	Bend	trans	132.7	108.1	160.5	0	0	0	0	0	114.9
185	D	28.4	Very low	30	Very low	168 Å²	168	123 Å²	123	90%	0.898	73%	0.732	S	S	*	*			trans	73.3	87.2	167.4	-70.4	-10.7	0	0	0	120.2	L187	D185-L187 PolarHBondContact O-N 3.03Å
186	S	23.9	Very low	30.3	Very low	117 Å²	117	127.1 Å²	127.1	82%	0.818	73%	0.731	S	S	*	*			trans	-62.7	99.9	154.5	-66.8	0	0	0	0	111.7
187	L	27.4	Very low	30.7	Very low	157 Å²	157	119.6 Å²	119.6	82%	0.822	70%	0.701	S	S	*	*			trans	-111.1	100.2	151.3	-128.7	91	0	0	0	109.4	D185 Y189	D185-L187 PolarHBondContact O-N 3.03Å; L187-Y189 PolarHBondContact O-N 2.82Å; L187-Y189 VanDerWaalsContact O-N 3.1Å
188	R	25.4	Very low	31	Very low	224 Å²	224	113.4 Å²	113.4	85%	0.845	67%	0.667	S	S	*	*			trans	-59.7	109.1	170.1	-69.4	176.5	175.6	179.7	-1.5	108.5	T190	R188-T190 PolarHBondContact O-N 3.06Å
189	Y	28.8	Very low	31.6	Very low	218 Å²	218	112.6 Å²	112.6	86%	0.855	66%	0.657	S	S	*	*			trans	-68.6	84.9	164.4	-113.1	-94.6	0	0	0	108.5	L187	L187-Y189 PolarHBondContact O-N 2.82Å; L187-Y189 VanDerWaalsContact O-N 3.1Å
190	T	27.3	Very low	31.9	Very low	118 Å²	118	111.7 Å²	111.7	72%	0.724	65%	0.647	S	S	*	*			trans	-69.4	126.6	166.9	45.8	0	0	0	0	108.3	R188	R188-T190 PolarHBondContact O-N 3.06Å
191	G	28.2	Very low	33.1	Very low	72 Å²	72	107.9 Å²	107.9	74%	0.742	62%	0.622	S	S	*	*			trans	-46.5	137.2	-168.5	0	0	0	0	0	115.3	G193	G191-G193 PolarHBondContact O-N 2.82Å
192	S	32.3	Very low	33.7	Very low	71 Å²	71	107 Å²	107	50%	0.497	61%	0.609	S	S	.	*			trans	-48.1	113.2	169.1	173.3	0	0	0	0	109.5	V194	S192-V194 PolarHBondContact O-N 3.38Å; S192-V194 VanDerWaalsContact O-N 3.14Å
193	G	31.5	Very low	34.8	Very low	53 Å²	53	106.7 Å²	106.7	55%	0.546	60%	0.598	S	S	.	*	S	Bend	trans	-62.5	-13	177.9	0	0	0	0	0	113.3	G191 K196 G197	G191-G193 PolarHBondContact O-N 2.82Å; G193-K196 VanDerWaalsContact O-CB 3.3Å; G193-K196 WeakPolarHBondContact O-CB 3.43Å; G193-K196 PolarHBondContact O-N 3.34Å; G193-G197 PolarHBondContact O-N 3.43Å
194	V	34.8	Very low	36	Very low	23 Å²	23	103 Å²	103	14%	0.139	56%	0.563	C	S	.	*	H	α-helix	trans	-75.1	-44.6	-172.3	-175.1	0	0	0	0	112.6	S192 K196 G197 L198 E526	S192-V194 PolarHBondContact O-N 3.38Å; S192-V194 VanDerWaalsContact O-N 3.14Å; V194-K196 PolarHBondContact O-N 3.19Å; V194-G197 PolarHBondContact O-N 3.31Å; V194-L198 PolarHBondContact O-N 3.23Å; V194-L198 VanDerWaalsContact O-N 3.13Å; V194-E526 VanDerWaalsContact CG1-CD 3.46Å; V194-E526 HydrophobicContact CG1-CG 3.62Å; V194-E526 WeakPolarHBondContact CG1-OE1 3.49Å; V194-E526 HydrophobicContact CG2-CG 4.43Å; V194-E526 WeakPolarHBondContact CG2-OE1 3.3Å; V194-E526 VanDerWaalsContact CG2-OE2 3.28Å; V194-E526 WeakPolarHBondContact CG2-OE2 3.11Å
195	L	35.6	Very low	37.5	Very low	71 Å²	71	101.7 Å²	101.7	37%	0.372	54%	0.538	S	S	.	.	H	α-helix	trans	-68	-19.3	171.4	-80.9	164.6	0	0	0	112.3	L198 V482	L195-L198 HydrophobicContact CD2-CD1 4.2Å; L195-V482 HydrophobicContact CD2-CG2 4.12Å
196	K	35	Very low	39.4	Very low	154 Å²	154	95 Å²	95	67%	0.67	50%	0.501	S	S	*	.	H	α-helix	trans	-79.4	-39.3	172.7	-141.8	178.1	-179.1	-172.2	0	110.8	G193 V194 L198 K199 D200	G193-K196 VanDerWaalsContact O-CB 3.3Å; G193-K196 WeakPolarHBondContact O-CB 3.43Å; G193-K196 PolarHBondContact O-N 3.34Å; V194-K196 PolarHBondContact O-N 3.19Å; K196-L198 VanDerWaalsContact C-N 3.3Å; K196-L198 PolarHBondContact O-N 2.9Å; K196-K199 WeakPolarHBondContact O-CB 3.22Å; K196-K199 PolarHBondContact O-N 2.67Å; K196-D200 PolarHBondContact O-N 3.48Å
197	G	38	Very low	41.8	Very low	19 Å²	19	90.1 Å²	90.1	20%	0.196	47%	0.468	C	S	.	.	H	α-helix	trans	-58.1	-40.3	171.6	0	0	0	0	0	112.6	G193 V194 K199 D200 Y201	G193-G197 PolarHBondContact O-N 3.43Å; V194-G197 PolarHBondContact O-N 3.31Å; G197-K199 PolarHBondContact O-N 2.56Å; G197-K199 VanDerWaalsContact O-N 3.12Å; G197-D200 PolarHBondContact O-N 2.94Å; G197-Y201 WeakPolarHBondContact O-CD2 3.28Å; G197-Y201 VanDerWaalsContact O-CE2 3.31Å; G197-Y201 WeakPolarHBondContact O-CE2 3.44Å; G197-Y201 PolarHBondContact O-N 3.48Å
198	L	41.5	Very low	44.2	Very low	27 Å²	27	83.5 Å²	83.5	14%	0.141	43%	0.434	C	S	.	.	H	α-helix	trans	-58	-23.9	173.8	-82.9	157.3	0	0	0	114.7	V194 L195 K196 V482 L565	V194-L198 PolarHBondContact O-N 3.23Å; V194-L198 VanDerWaalsContact O-N 3.13Å; L195-L198 HydrophobicContact CD2-CD1 4.2Å; K196-L198 VanDerWaalsContact C-N 3.3Å; K196-L198 PolarHBondContact O-N 2.9Å; L198-V482 HydrophobicContact CB-CG1 4.29Å; L198-V482 HydrophobicContact CD1-CG1 4.07Å; L198-V482 HydrophobicContact CD2-CG1 3.96Å; L198-V482 HydrophobicContact CG-CG1 4.34Å; L198-L565 HydrophobicContact CD2-CD1 3.59Å; L198-L565 HydrophobicContact CD2-CD2 3.98Å; L198-L565 HydrophobicContact CD2-CG 4.45Å
199	K	40.6	Very low	47	Very low	140 Å²	140	73.7 Å²	73.7	61%	0.609	40%	0.398	S	S	*	.	H	α-helix	trans	-82.7	-26.1	172.7	-72.6	-177.1	174.7	-179.4	0	113.4	K196 G197 Y201	K196-K199 WeakPolarHBondContact O-CB 3.22Å; K196-K199 PolarHBondContact O-N 2.67Å; G197-K199 PolarHBondContact O-N 2.56Å; G197-K199 VanDerWaalsContact O-N 3.12Å; K199-Y201 PolarHBondContact O-N 2.76Å
200	D	44.7	Very low	49.4	Very low	119 Å²	119	64.4 Å²	64.4	64%	0.636	36%	0.362	S	S	*	.	H	α-helix	trans	-78.5	-12.3	179.1	-62.5	-28.9	0	0	0	111.9	K196 G197 E202	K196-D200 PolarHBondContact O-N 3.48Å; G197-D200 PolarHBondContact O-N 2.94Å; D200-E202 VanDerWaalsContact C-N 3.3Å; D200-E202 PolarHBondContact O-N 2.98Å
201	Y	52.5	Low	51.9	Low	71 Å²	71	59.8 Å²	59.8	28%	0.278	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-86.4	15.7	177.4	-69.9	-63.1	0	0	0	114.6	G197 K199 H203 L204 L558 H561	G197-Y201 WeakPolarHBondContact O-CD2 3.28Å; G197-Y201 VanDerWaalsContact O-CE2 3.31Å; G197-Y201 WeakPolarHBondContact O-CE2 3.44Å; G197-Y201 PolarHBondContact O-N 3.48Å; K199-Y201 PolarHBondContact O-N 2.76Å; Y201-H203 PolarHBondContact O-N 3.22Å; Y201-L204 HydrophobicContact CD1-CD1 3.91Å; Y201-L204 HydrophobicContact CD1-CD2 4.25Å; Y201-L204 HydrophobicContact CD1-CG 3.97Å; Y201-L204 HydrophobicContact CG-CD1 3.89Å; Y201-L204 HydrophobicContact CG-CG 4.26Å; Y201-L204 WeakPolarHBondContact O-CB 3.42Å; Y201-L204 WeakPolarHBondContact O-CG 3.19Å; Y201-L204 PolarHBondContact O-N 3.35Å; Y201-L558 HydrophobicContact CE1-CD2 4.2Å; Y201-H561 AromaticContact CE1-CE1 3.97Å; Y201-H561 AromaticContact CE1-ND1 3.48Å; Y201-H561 WeakPolarHBondContact CE1-ND1 2.92Å; Y201-H561 AromaticContact CE2-ND1 3.79Å; Y201-H561 AromaticContact CZ-CE1 3.54Å; Y201-H561 AromaticContact CZ-ND1 3.25Å; Y201-H561 PolarHBondContact OH-CE1 2.93Å; Y201-H561 PolarHBondContact OH-ND1 3.22Å
202	E	46.4	Very low	54.5	Low	116 Å²	116	56.6 Å²	56.6	54%	0.542	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-50.1	-29.6	170.7	-86	-174.2	166.5	0	0	111.9	D200 L204 Q483	D200-E202 VanDerWaalsContact C-N 3.3Å; D200-E202 PolarHBondContact O-N 2.98Å; E202-L204 VanDerWaalsContact C-N 3.28Å; E202-L204 PolarHBondContact O-N 3.44Å; E202-Q483 VanDerWaalsContact CG-OE1 3.31Å
203	H	52.2	Low	56.9	Low	119 Å²	119	57.9 Å²	57.9	55%	0.551	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-67.2	-15.4	175.9	-61.4	-68.3	0	0	0	115.5	Y201 N205 E206	Y201-H203 PolarHBondContact O-N 3.22Å; H203-N205 PolarHBondContact O-N 3.44Å; H203-N205 VanDerWaalsContact O-N 3.1Å; H203-E206 IonicContact CE1-OE1 3.35Å; H203-E206 IonicContact CG-OE1 2.83Å; H203-E206 IonicContact ND1-OE1 2.73Å; H203-E206 PolarHBondContact ND1-OE1 3.48Å; H203-E206 WeakPolarHBondContact O-CB 3.46Å; H203-E206 WeakPolarHBondContact O-CG 3.29Å; H203-E206 PolarHBondContact O-N 3.35Å; H203-E206 VanDerWaalsContact O-N 3.11Å
204	L	52.7	Low	59.4	Low	30 Å²	30	60.2 Å²	60.2	16%	0.157	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-64.8	-18.4	-177.9	-71.6	179.3	0	0	0	112.9	Y201 E202 E206 H561 R562 L565	Y201-L204 HydrophobicContact CD1-CD1 3.91Å; Y201-L204 HydrophobicContact CD1-CD2 4.25Å; Y201-L204 HydrophobicContact CD1-CG 3.97Å; Y201-L204 HydrophobicContact CG-CD1 3.89Å; Y201-L204 HydrophobicContact CG-CG 4.26Å; Y201-L204 WeakPolarHBondContact O-CB 3.42Å; Y201-L204 WeakPolarHBondContact O-CG 3.19Å; Y201-L204 PolarHBondContact O-N 3.35Å; E202-L204 VanDerWaalsContact C-N 3.28Å; E202-L204 PolarHBondContact O-N 3.44Å; L204-E206 VanDerWaalsContact C-N 3.3Å; L204-H561 HydrophobicContact CD1-CB 3.94Å; L204-H561 HydrophobicContact CD2-CB 4.28Å; L204-R562 HydrophobicContact CB-CB 4.27Å; L204-R562 HydrophobicContact CB-CG 4.41Å; L204-R562 HydrophobicContact CD1-CB 4.22Å; L204-R562 HydrophobicContact CD2-CB 4.37Å; L204-R562 WeakPolarHBondContact O-CD 3.4Å; L204-R562 PolarHBondContact O-NH1 3.34Å; L204-L565 HydrophobicContact CD1-CD2 4.43Å
205	N	59.9	Low	61.6	Low	49 Å²	49	63.6 Å²	63.6	26%	0.262	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-84.4	-2.8	178.3	-68.3	-43.3	0	0	0	114.2	H203 R570	H203-N205 PolarHBondContact O-N 3.44Å; H203-N205 VanDerWaalsContact O-N 3.1Å; N205-R570 VanDerWaalsContact OD1-CD 3.29Å; N205-R570 WeakPolarHBondContact OD1-CD 3.25Å; N205-R570 PolarHBondContact OD1-NE 3.47Å
206	E	68.4	Low	64	Low	26 Å²	26	66.7 Å²	66.7	12%	0.121	33%	0.325	C	S	.	.			trans	-66.3	140.6	-179.8	-66.9	175.4	-179.8	0	0	111.2	H203 L204 E210 Q214	H203-E206 IonicContact CE1-OE1 3.35Å; H203-E206 IonicContact CG-OE1 2.83Å; H203-E206 IonicContact ND1-OE1 2.73Å; H203-E206 PolarHBondContact ND1-OE1 3.48Å; H203-E206 WeakPolarHBondContact O-CB 3.46Å; H203-E206 WeakPolarHBondContact O-CG 3.29Å; H203-E206 PolarHBondContact O-N 3.35Å; H203-E206 VanDerWaalsContact O-N 3.11Å; L204-E206 VanDerWaalsContact C-N 3.3Å; E206-E210 VanDerWaalsContact CA-OE2 3.23Å; E206-E210 WeakPolarHBondContact CA-OE2 3.41Å; E206-E210 HydrophobicContact CB-CB 4.05Å; E206-Q214 PolarHBondContact OE1-NE2 2.96Å; E206-Q214 PolarHBondContact OE1-OE1 2.99Å; E206-Q214 PolarHBondContact OE2-NE2 3.42Å; E206-Q214 PolarHBondContact OE2-OE1 3.48Å
207	S	75.6	Confident	66.2	Low	16 Å²	16	59.8 Å²	59.8	11%	0.112	30%	0.295	C	S	.	.			trans	-68.2	156.8	171	67.2	0	0	0	0	110.8	E209 E210 F211	S207-E209 PolarHBondContact O-N 3.06Å; S207-E210 PolarHBondContact N-OE2 3.33Å; S207-E210 WeakPolarHBondContact O-CB 3.35Å; S207-E210 PolarHBondContact O-N 3.35Å; S207-E210 VanDerWaalsContact O-N 3.09Å; S207-E210 WeakPolarHBondContact OG-CB 3.31Å; S207-E210 WeakPolarHBondContact OG-CG 3.42Å; S207-E210 PolarHBondContact OG-N 3.04Å; S207-E210 VanDerWaalsContact OG-N 3.12Å; S207-E210 PolarHBondContact OG-OE2 2.64Å; S207-F211 PolarHBondContact O-N 3.37Å
208	P	77.8	Confident	68.3	Low	17 Å²	17	60.4 Å²	60.4	11%	0.11	30%	0.298	C	S	.	.	H	α-helix	trans	-53.3	-36.3	174.1	-23.3	31.7	0	0	0	112.7	A212 I289 L621 N624 S625	P208-A212 VanDerWaalsContact O-CB 3.29Å; P208-A212 WeakPolarHBondContact O-CB 3.18Å; P208-A212 PolarHBondContact O-N 3.23Å; P208-I289 HydrophobicContact CB-CD1 4.18Å; P208-L621 HydrophobicContact CB-CD1 3.94Å; P208-L621 WeakPolarHBondContact O-CD1 3.26Å; P208-N624 HydrophobicContact CG-CB 4.49Å; P208-S625 VanDerWaalsContact CG-CA 3.47Å
209	E	82.9	Confident	70.2	Confident	19 Å²	19	60.1 Å²	60.1	9%	0.089	30%	0.296	C	S	.	.	H	α-helix	trans	-69.6	-43.9	176.4	-62.7	89.9	156.5	0	0	112.1	H38 S207 F211 A212 E213 Y291	H38-E209 HydrophobicContact CB-CG 4.41Å; H38-E209 WeakPolarHBondContact CB-OE1 3.27Å; H38-E209 IonicContact CG-OE1 3.53Å; H38-E209 IonicContact ND1-OE1 2.64Å; H38-E209 PolarHBondContact ND1-OE1 3.41Å; S207-E209 PolarHBondContact O-N 3.06Å; E209-F211 VanDerWaalsContact C-N 3.34Å; E209-F211 PolarHBondContact O-N 3.34Å; E209-A212 PolarHBondContact O-N 3.19Å; E209-E213 WeakPolarHBondContact O-CB 3.43Å; E209-E213 WeakPolarHBondContact O-CG 3.23Å; E209-E213 PolarHBondContact O-N 3.31Å; E209-Y291 WeakPolarHBondContact OE1-CE2 3.41Å; E209-Y291 VanDerWaalsContact OE1-CZ 3.27Å; E209-Y291 PolarHBondContact OE1-OH 3.09Å
210	E	79.8	Confident	72	Confident	22 Å²	22	57.7 Å²	57.7	10%	0.103	30%	0.295	C	S	.	.	H	α-helix	trans	-58.5	-47.5	173.7	-77.2	167	176.8	0	0	111	I40 E206 S207 A212 E213 Q214	I40-E210 HydrophobicContact CB-CG 4.39Å; I40-E210 HydrophobicContact CD1-CB 4.27Å; I40-E210 HydrophobicContact CD1-CG 3.58Å; I40-E210 HydrophobicContact CG1-CG 3.52Å; I40-E210 HydrophobicContact CG2-CG 4.21Å; E206-E210 VanDerWaalsContact CA-OE2 3.23Å; E206-E210 WeakPolarHBondContact CA-OE2 3.41Å; E206-E210 HydrophobicContact CB-CB 4.05Å; S207-E210 PolarHBondContact N-OE2 3.33Å; S207-E210 WeakPolarHBondContact O-CB 3.35Å; S207-E210 PolarHBondContact O-N 3.35Å; S207-E210 VanDerWaalsContact O-N 3.09Å; S207-E210 WeakPolarHBondContact OG-CB 3.31Å; S207-E210 WeakPolarHBondContact OG-CG 3.42Å; S207-E210 PolarHBondContact OG-N 3.04Å; S207-E210 VanDerWaalsContact OG-N 3.12Å; S207-E210 PolarHBondContact OG-OE2 2.64Å; E210-A212 VanDerWaalsContact C-N 3.34Å; E210-A212 PolarHBondContact O-N 3Å; E210-E213 PolarHBondContact O-N 2.93Å; E210-Q214 WeakPolarHBondContact O-CB 3.29Å; E210-Q214 VanDerWaalsContact O-CG 3.27Å; E210-Q214 WeakPolarHBondContact O-CG 3.45Å; E210-Q214 PolarHBondContact O-N 3.43Å
211	F	80.5	Confident	73.2	Confident	21 Å²	21	54.6 Å²	54.6	9%	0.092	28%	0.278	C	S	.	.	H	α-helix	trans	-60.1	-45.2	176.6	-175.7	-101.2	0	0	0	111.3	S207 E209 Q214 H215 M217 L620 L621	S207-F211 PolarHBondContact O-N 3.37Å; E209-F211 VanDerWaalsContact C-N 3.34Å; E209-F211 PolarHBondContact O-N 3.34Å; F211-Q214 PolarHBondContact O-N 3.35Å; F211-H215 AromaticContact CD2-CE1 3.43Å; F211-H215 VanDerWaalsContact CD2-CE1 3.43Å; F211-H215 WeakPolarHBondContact CD2-CE1 3.39Å; F211-H215 AromaticContact CD2-ND1 3.51Å; F211-H215 AromaticContact CE2-CE1 3.22Å; F211-H215 WeakPolarHBondContact CE2-CE1 3.31Å; F211-H215 AromaticContact CE2-ND1 3.5Å; F211-H215 AromaticContact CE2-NE2 3.67Å; F211-H215 AromaticContact CG-ND1 3.94Å; F211-H215 AromaticContact CZ-CE1 3.97Å; F211-H215 AromaticContact CZ-ND1 3.94Å; F211-H215 WeakPolarHBondContact O-CB 3.47Å; F211-H215 PolarHBondContact O-N 3.45Å; F211-H215 PolarHBondContact O-ND1 3.06Å; F211-M217 HydrophobicContact CD1-CE 3.42Å; F211-M217 VanDerWaalsContact CD1-CE 3.42Å; F211-M217 HydrophobicContact CE1-CE 3.15Å; F211-M217 HydrophobicContact CZ-CE 4.1Å; F211-L620 HydrophobicContact CE1-CD2 4.23Å; F211-L620 HydrophobicContact CE1-CG 4.22Å; F211-L620 HydrophobicContact CE2-CD2 3.76Å; F211-L620 HydrophobicContact CE2-CG 4.39Å; F211-L620 HydrophobicContact CZ-CD2 3.47Å; F211-L620 VanDerWaalsContact CZ-CD2 3.47Å; F211-L620 HydrophobicContact CZ-CG 3.94Å; F211-L621 HydrophobicContact CD1-CB 4.11Å; F211-L621 HydrophobicContact CD1-CD1 4.09Å; F211-L621 HydrophobicContact CE1-CB 4.18Å
212	A	81.8	Confident	73.5	Confident	6 Å²	6	55.5 Å²	55.5	5%	0.05	29%	0.285	C	S	.	.	H	α-helix	trans	-63.6	-41.2	178.4	0	0	0	0	0	112.5	P208 E209 E210 N216 M217 A218 L621	P208-A212 VanDerWaalsContact O-CB 3.29Å; P208-A212 WeakPolarHBondContact O-CB 3.18Å; P208-A212 PolarHBondContact O-N 3.23Å; E209-A212 PolarHBondContact O-N 3.19Å; E210-A212 VanDerWaalsContact C-N 3.34Å; E210-A212 PolarHBondContact O-N 3Å; A212-N216 PolarHBondContact O-N 3.29Å; A212-M217 HydrophobicContact CB-CB 4.26Å; A212-M217 CarbonylContact O-C 3.57Å; A212-M217 WeakPolarHBondContact O-CA 3.45Å; A212-M217 PolarHBondContact O-N 2.94Å; A212-A218 HydrophobicContact CB-CB 4.44Å; A212-A218 PolarHBondContact O-N 3.23Å; A212-A218 VanDerWaalsContact O-N 3.11Å; A212-L621 HydrophobicContact CB-CD1 4.25Å; A212-L621 HydrophobicContact CB-CD2 4.42Å
213	E	83.6	Confident	73	Confident	98 Å²	98	54.7 Å²	54.7	46%	0.458	29%	0.288	S	S	.	.	H	α-helix	trans	-66.3	-47.6	176.6	-74.7	-175.5	-170.2	0	0	111.7	I40 E209 E210 H215 N216 A218	I40-E213 HydrophobicContact CD1-CB 4.43Å; I40-E213 WeakPolarHBondContact CD1-OE2 3.25Å; E209-E213 WeakPolarHBondContact O-CB 3.43Å; E209-E213 WeakPolarHBondContact O-CG 3.23Å; E209-E213 PolarHBondContact O-N 3.31Å; E210-E213 PolarHBondContact O-N 2.93Å; E213-H215 VanDerWaalsContact C-N 3.27Å; E213-H215 PolarHBondContact O-N 2.91Å; E213-N216 PolarHBondContact O-N 2.83Å; E213-A218 HydrophobicContact CG-CB 3.88Å
214	Q	82.2	Confident	71.8	Confident	101 Å²	101	53.7 Å²	53.7	47%	0.472	29%	0.294	S	S	.	.	H	α-helix	trans	-62.2	-33.7	-179.7	-71.5	-175	25.7	0	0	113	E206 E210 F211	E206-Q214 PolarHBondContact OE1-NE2 2.96Å; E206-Q214 PolarHBondContact OE1-OE1 2.99Å; E206-Q214 PolarHBondContact OE2-NE2 3.42Å; E206-Q214 PolarHBondContact OE2-OE1 3.48Å; E210-Q214 WeakPolarHBondContact O-CB 3.29Å; E210-Q214 VanDerWaalsContact O-CG 3.27Å; E210-Q214 WeakPolarHBondContact O-CG 3.45Å; E210-Q214 PolarHBondContact O-N 3.43Å; F211-Q214 PolarHBondContact O-N 3.35Å
215	H	82.4	Confident	70.5	Confident	95 Å²	95	57 Å²	57	44%	0.44	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	14.6	-176.8	-62.6	78.3	0	0	0	113.4	F211 E213 M217	F211-H215 AromaticContact CD2-CE1 3.43Å; F211-H215 VanDerWaalsContact CD2-CE1 3.43Å; F211-H215 WeakPolarHBondContact CD2-CE1 3.39Å; F211-H215 AromaticContact CD2-ND1 3.51Å; F211-H215 AromaticContact CE2-CE1 3.22Å; F211-H215 WeakPolarHBondContact CE2-CE1 3.31Å; F211-H215 AromaticContact CE2-ND1 3.5Å; F211-H215 AromaticContact CE2-NE2 3.67Å; F211-H215 AromaticContact CG-ND1 3.94Å; F211-H215 AromaticContact CZ-CE1 3.97Å; F211-H215 AromaticContact CZ-ND1 3.94Å; F211-H215 WeakPolarHBondContact O-CB 3.47Å; F211-H215 PolarHBondContact O-N 3.45Å; F211-H215 PolarHBondContact O-ND1 3.06Å; E213-H215 VanDerWaalsContact C-N 3.27Å; E213-H215 PolarHBondContact O-N 2.91Å; H215-M217 HydrophobicContact CB-CE 3.7Å; H215-M217 HydrophobicContact CB-CG 4.23Å; H215-M217 PolarHBondContact O-N 3.4Å
216	N	84.7	Confident	68.8	Low	136 Å²	136	64.2 Å²	64.2	73%	0.727	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	26.2	-178.6	-58.8	-67.1	0	0	0	114.7	A212 E213	A212-N216 PolarHBondContact O-N 3.29Å; E213-N216 PolarHBondContact O-N 2.83Å
217	M	82.7	Confident	66.7	Low	9 Å²	9	66 Å²	66	4%	0.044	37%	0.374	C	S	.	.			trans	-99.1	8.8	176.5	-55.9	-174	-70.8	0	0	112.8	F211 A212 H215 Q286 Y287 D617 L621	F211-M217 HydrophobicContact CD1-CE 3.42Å; F211-M217 VanDerWaalsContact CD1-CE 3.42Å; F211-M217 HydrophobicContact CE1-CE 3.15Å; F211-M217 HydrophobicContact CZ-CE 4.1Å; A212-M217 HydrophobicContact CB-CB 4.26Å; A212-M217 CarbonylContact O-C 3.57Å; A212-M217 WeakPolarHBondContact O-CA 3.45Å; A212-M217 PolarHBondContact O-N 2.94Å; H215-M217 HydrophobicContact CB-CE 3.7Å; H215-M217 HydrophobicContact CB-CG 4.23Å; H215-M217 PolarHBondContact O-N 3.4Å; M217-Q286 CarbonylContact O-C 3.16Å; M217-Q286 WeakPolarHBondContact O-CA 3.4Å; M217-Y287 HydrophobicContact CB-CD2 4.36Å; M217-Y287 PolarHBondContact O-N 2.74Å; M217-D617 HydrophobicContact SD-CB 4.13Å; M217-L621 HydrophobicContact CE-CB 4.4Å; M217-L621 HydrophobicContact CE-CD2 4.23Å; M217-L621 HydrophobicContact SD-CD2 4.48Å
218	A	81.3	Confident	64.3	Low	31 Å²	31	71.8 Å²	71.8	26%	0.256	41%	0.411	S	S	.	.	B	Isolated β-bridge	trans	-85.2	135.5	172.8	0	0	0	0	0	111.1	A212 E213	A212-A218 HydrophobicContact CB-CB 4.44Å; A212-A218 PolarHBondContact O-N 3.23Å; A212-A218 VanDerWaalsContact O-N 3.11Å; E213-A218 HydrophobicContact CG-CB 3.88Å
219	L	82.2	Confident	61.9	Low	21 Å²	21	79.6 Å²	79.6	11%	0.11	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-70.2	123.7	171.3	-81	166.1	0	0	0	109.7	F254 V280 N282 Q286 Y287 K288	L219-F254 HydrophobicContact CB-CE2 4Å; L219-F254 HydrophobicContact CD1-CE2 4.29Å; L219-F254 HydrophobicContact CD1-CZ 4.12Å; L219-V280 HydrophobicContact CD1-CG2 3.97Å; L219-N282 HydrophobicContact CD2-CB 3.87Å; L219-N282 VanDerWaalsContact CD2-ND2 3.27Å; L219-N282 WeakPolarHBondContact CD2-ND2 3.01Å; L219-Q286 HydrophobicContact CB-CB 4.48Å; L219-Q286 HydrophobicContact CD2-CB 3.66Å; L219-Q286 HydrophobicContact CG-CB 3.78Å; L219-Q286 WeakPolarHBondContact CG-O 3.29Å; L219-Y287 PolarHBondContact N-O 2.88Å; L219-K288 HydrophobicContact CB-CB 4.21Å; L219-K288 HydrophobicContact CD1-CB 3.95Å
220	P	77.4	Confident	59.3	Low	89 Å²	89	87.7 Å²	87.7	58%	0.578	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-67.5	143.4	-179.3	27.7	-33.9	0	0	0	111.1
221	D	70.9	Confident	56.7	Low	55 Å²	55	91 Å²	91	29%	0.294	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-68.9	142.6	165	-74.3	-20.7	0	0	0	109.6	T223 K288	D221-T223 PolarHBondContact O-N 3.31Å; D221-K288 IonicContact OD1-NZ 3.74Å; D221-K288 PolarHBondContact OD1-NZ 3.27Å
222	Q	57.2	Low	54.2	Low	90 Å²	90	99 Å²	99	42%	0.421	55%	0.553	S	S	.	*			trans	-69.3	100.3	179.6	-72.5	-166.8	16.7	0	0	109.9	S224 M253 V255	Q222-S224 PolarHBondContact O-N 2.81Å; Q222-M253 PolarHBondContact N-O 2.86Å; Q222-V255 PolarHBondContact NE2-O 3.42Å
223	T	36.5	Very low	51.7	Low	98 Å²	98	104.5 Å²	104.5	60%	0.601	59%	0.591	S	S	*	*			trans	-80.2	96.6	159.9	47.7	0	0	0	0	107.3	D221 C225	D221-T223 PolarHBondContact O-N 3.31Å; T223-C225 PolarHBondContact O-N 2.98Å
224	S	27.6	Very low	48.9	Very low	98 Å²	98	107.6 Å²	107.6	69%	0.685	61%	0.61	S	S	*	*			trans	24.6	88.3	165.1	164.2	0	0	0	0	114.9	Q222 K226	Q222-S224 PolarHBondContact O-N 2.81Å; S224-K226 PolarHBondContact O-N 2.78Å
225	C	24.6	Very low	46.5	Very low	100 Å²	100	107.5 Å²	107.5	68%	0.676	62%	0.618	S	S	*	*			trans	-45.3	106.8	172.1	-64	0	0	0	0	111.8	T223	T223-C225 PolarHBondContact O-N 2.98Å
226	K	23.8	Very low	43.7	Very low	200 Å²	200	108.9 Å²	108.9	87%	0.87	63%	0.633	S	S	*	*			trans	-88.3	126.6	142.2	-72.6	-171.2	176.8	-177.1	0	105.7	S224	S224-K226 PolarHBondContact O-N 2.78Å
227	G	24.5	Very low	41.1	Very low	65 Å²	65	107.4 Å²	107.4	67%	0.67	63%	0.629	S	S	*	*			trans	-56.4	160.9	-166.9	0	0	0	0	0	114.6	E229	G227-E229 PolarHBondContact O-N 3.14Å
228	P	26	Very low	38.6	Very low	137 Å²	137	115.2 Å²	115.2	89%	0.89	67%	0.665	S	S	*	*			trans	-80.4	108.1	-179.6	32.7	-28.9	0	0	0	109.4
229	E	26.8	Very low	35.8	Very low	181 Å²	181	120.9 Å²	120.9	85%	0.846	70%	0.697	S	S	*	*			trans	-124.6	131.9	151.7	-78.9	-170.8	160.1	0	0	107.7	G227	G227-E229 PolarHBondContact O-N 3.14Å
230	Q	28.7	Very low	33.3	Very low	188 Å²	188	124.4 Å²	124.4	88%	0.879	73%	0.729	S	S	*	*			trans	85.6	82.6	174.2	-53.3	-179.8	9.7	0	0	116.5
231	A	25.1	Very low	30.8	Very low	92 Å²	92	129.3 Å²	129.3	76%	0.76	74%	0.744	S	S	*	*			trans	-64.8	129.5	143.5	0	0	0	0	0	109.4
232	Q	27.7	Very low	28.9	Very low	190 Å²	190	133.4 Å²	133.4	89%	0.888	77%	0.771	S	S	*	*			trans	174.7	141.8	137	-94.6	161.6	30.4	0	0	111.4
233	S	30.5	Very low	27.4	Very low	120 Å²	120	132.9 Å²	132.9	84%	0.839	79%	0.79	S	S	*	*			trans	78.6	105.1	165	62.3	0	0	0	0	120.8
234	L	24.5	Very low	26.9	Very low	164 Å²	164	135.9 Å²	135.9	86%	0.859	80%	0.802	S	S	*	*			trans	-47.5	173	138	-84	142.9	0	0	0	112.6
235	P	31.6	Very low	26.9	Very low	99 Å²	99	136.9 Å²	136.9	64%	0.643	81%	0.809	S	S	*	*			cis	-142.4	-177.6	-16.7	36.9	-16.1	0	0	0	114.8
236	T	24.1	Very low	27	Very low	124 Å²	124	135.5 Å²	135.5	76%	0.761	81%	0.812	S	S	*	*			trans	68.7	140.1	149.9	-34.9	0	0	0	0	118.6
237	V	28.9	Very low	27.1	Very low	104 Å²	104	130.9 Å²	130.9	63%	0.63	81%	0.811	S	S	*	*			trans	138.7	115.3	134.2	172.5	0	0	0	0	113.6
238	Q	30.1	Very low	27.3	Very low	174 Å²	174	137.2 Å²	137.2	81%	0.813	82%	0.82	S	S	*	*			trans	56.2	117.6	139.4	-60.7	161.9	3.7	0	0	120.5
239	T	23.4	Very low	27.6	Very low	150 Å²	150	135.5 Å²	135.5	92%	0.92	81%	0.809	S	S	*	*			trans	-43	121.5	149.1	27	0	0	0	0	113.6
240	A	29.1	Very low	28.2	Very low	95 Å²	95	131.1 Å²	131.1	79%	0.785	79%	0.792	S	S	*	*			trans	-146.8	116.9	150.1	0	0	0	0	0	109.4
241	Q	26.1	Very low	29.2	Very low	192 Å²	192	124.3 Å²	124.3	90%	0.897	77%	0.765	S	S	*	*			trans	-63	128.1	174.1	-63.5	167.2	-11.4	0	0	110.3
242	T	29.9	Very low	31.3	Very low	140 Å²	140	121.4 Å²	121.4	86%	0.859	74%	0.739	S	S	*	*			trans	-151.8	128.4	142.7	39.5	0	0	0	0	108.5
243	G	25.2	Very low	34	Very low	79 Å²	79	113.8 Å²	113.8	81%	0.814	70%	0.704	S	S	*	*			trans	-69.1	143.3	-176.6	0	0	0	0	0	112.6
244	N	28	Very low	36.7	Very low	161 Å²	161	108.4 Å²	108.4	86%	0.861	67%	0.665	S	S	*	*			trans	-155.3	131.2	144.5	-129.2	-5.3	0	0	0	109.9	G246	N244-G246 PolarHBondContact O-N 2.65Å
245	S	26.6	Very low	39.8	Very low	119 Å²	119	102 Å²	102	83%	0.832	63%	0.633	S	S	*	*			trans	-52.3	119.8	173.7	49.7	0	0	0	0	111.7
246	G	26.1	Very low	42.6	Very low	71 Å²	71	97.8 Å²	97.8	73%	0.732	61%	0.607	S	S	*	*			trans	-147.4	124.4	175.5	0	0	0	0	0	110.4	N244 K248	N244-G246 PolarHBondContact O-N 2.65Å; G246-K248 PolarHBondContact O-N 3.13Å
247	A	27	Very low	45.7	Very low	104 Å²	104	93.3 Å²	93.3	86%	0.86	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-52.8	129.9	-175.7	0	0	0	0	0	113.1
248	K	28.4	Very low	48.6	Very low	197 Å²	197	88.3 Å²	88.3	86%	0.857	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-63.8	129.7	169.5	-85.9	-177.1	174.6	-178.5	0	109.3	G246 D250	G246-K248 PolarHBondContact O-N 3.13Å; K248-D250 PolarHBondContact O-N 3.47Å
249	P	31.8	Very low	51.1	Low	102 Å²	102	81.8 Å²	81.8	66%	0.662	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-68.7	119.6	178.2	26.6	-30.5	0	0	0	110.5	S251	P249-S251 PolarHBondContact O-N 3.12Å
250	D	39.1	Very low	54.1	Low	89 Å²	89	83.4 Å²	83.4	48%	0.476	51%	0.51	S	S	.	.	S	Bend	trans	-71.8	34.9	-172.7	-121.3	-13.3	0	0	0	114.4	K79 R83 K248	K79-D250 IonicContact NZ-OD1 3.51Å; R83-D250 PolarHBondContact NH1-O 3.46Å; R83-D250 PolarHBondContact NH2-O 3.34Å; K248-D250 PolarHBondContact O-N 3.47Å
251	S	49.6	Very low	56.9	Low	44 Å²	44	79.3 Å²	79.3	31%	0.308	48%	0.475	S	S	.	.			trans	-122.5	71	-174.3	-175.1	0	0	0	0	113.5	P249 M253	P249-S251 PolarHBondContact O-N 3.12Å; S251-M253 VanDerWaalsContact C-N 3.34Å; S251-M253 PolarHBondContact O-N 3.03Å
252	S	70	Confident	59.8	Low	32 Å²	32	71.7 Å²	71.7	22%	0.224	44%	0.439	C	S	.	.			trans	-90.7	40.1	-179.5	68.5	0	0	0	0	113.9	P73 S76	P73-S252 WeakPolarHBondContact CD-O 3.27Å; P73-S252 WeakPolarHBondContact CD-OG 3.35Å; P73-S252 VanDerWaalsContact CG-OG 3.29Å; P73-S252 WeakPolarHBondContact CG-OG 3.27Å; S76-S252 PolarHBondContact OG-OG 3.48Å
253	M	83.3	Confident	62.6	Low	29 Å²	29	65 Å²	65	14%	0.143	40%	0.398	C	S	.	.			trans	-92.8	127.3	178.4	-171.1	178.9	-70.4	0	0	109.8	C72 R83 L87 Q222 S251 V255	C72-M253 HydrophobicContact CB-CE 4.35Å; R83-M253 HydrophobicContact CB-CE 4.35Å; L87-M253 HydrophobicContact CD1-CE 4.26Å; L87-M253 HydrophobicContact CD2-CE 3.7Å; L87-M253 HydrophobicContact CD2-SD 3.68Å; L87-M253 HydrophobicContact CG-CE 4.03Å; Q222-M253 PolarHBondContact N-O 2.86Å; S251-M253 VanDerWaalsContact C-N 3.34Å; S251-M253 PolarHBondContact O-N 3.03Å; M253-V255 HydrophobicContact CG-CG2 3.98Å; M253-V255 HydrophobicContact SD-CG2 4.08Å
254	F	88.7	Confident	65.8	Low	7 Å²	7	61.3 Å²	61.3	3%	0.031	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132	171.3	179.6	-98.3	0	0	0	109.9	L69 Q70 W71 L219 A256 V280 K288 F290	L69-F254 HydrophobicContact CD2-CD1 3.86Å; L69-F254 HydrophobicContact CD2-CE1 3.78Å; Q70-F254 CarbonylContact C-O 3.57Å; Q70-F254 VanDerWaalsContact CA-O 3.31Å; Q70-F254 WeakPolarHBondContact CA-O 3.12Å; W71-F254 HydrophobicContact CB-CB 4.35Å; W71-F254 HydrophobicContact CE3-CB 4.43Å; W71-F254 PolarHBondContact N-O 2.91Å; W71-F254 PolarHBondContact O-N 2.85Å; L219-F254 HydrophobicContact CB-CE2 4Å; L219-F254 HydrophobicContact CD1-CE2 4.29Å; L219-F254 HydrophobicContact CD1-CZ 4.12Å; F254-A256 HydrophobicContact CE1-CB 3.65Å; F254-A256 HydrophobicContact CZ-CB 3.68Å; F254-V280 HydrophobicContact CE1-CG2 4.47Å; F254-V280 HydrophobicContact CZ-CG2 4.25Å; F254-K288 HydrophobicContact CB-CD 4.31Å; F254-K288 HydrophobicContact CD1-CD 3.9Å; F254-K288 HydrophobicContact CD2-CD 3.37Å; F254-K288 HydrophobicContact CE1-CD 3.97Å; F254-K288 HydrophobicContact CE2-CD 3.48Å; F254-K288 VanDerWaalsContact CE2-CD 3.48Å; F254-K288 HydrophobicContact CG-CD 3.58Å; F254-K288 HydrophobicContact CZ-CB 4.4Å; F254-K288 HydrophobicContact CZ-CD 3.76Å; F254-F290 HydrophobicContact CD1-CE1 4.43Å; F254-F290 AromaticContact CD1-CZ 3.61Å; F254-F290 HydrophobicContact CD1-CZ 3.61Å; F254-F290 HydrophobicContact CE1-CE2 4.17Å; F254-F290 AromaticContact CE1-CZ 3.68Å; F254-F290 HydrophobicContact CE1-CZ 3.68Å; F254-F290 HydrophobicContact CG-CZ 4.42Å
255	V	89.8	Confident	68.8	Low	30 Å²	30	54 Å²	54	18%	0.182	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	126.3	176.8	-177.4	0	0	0	0	109.1	L68 L69 Q70 Q222 M253	L68-V255 HydrophobicContact CD1-CG1 3.54Å; L68-V255 HydrophobicContact CD2-CG1 4.01Å; L68-V255 HydrophobicContact CG-CG1 3.84Å; L69-V255 CarbonylContact O-C 3.42Å; L69-V255 WeakPolarHBondContact O-CA 3.38Å; Q70-V255 HydrophobicContact CG-CG1 4.17Å; Q70-V255 HydrophobicContact CG-CG2 4.13Å; Q222-V255 PolarHBondContact NE2-O 3.42Å; M253-V255 HydrophobicContact CG-CG2 3.98Å; M253-V255 HydrophobicContact SD-CG2 4.08Å
256	A	90.1	Very high	72	Confident	11 Å²	11	48.3 Å²	48.3	9%	0.091	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	128.4	178.3	0	0	0	0	0	111.8	L69 F254 L258 L261	L69-A256 PolarHBondContact N-O 3.31Å; L69-A256 PolarHBondContact O-N 2.94Å; F254-A256 HydrophobicContact CE1-CB 3.65Å; F254-A256 HydrophobicContact CZ-CB 3.68Å; A256-L258 PolarHBondContact O-N 3.11Å; A256-L261 HydrophobicContact CB-CD2 4.47Å
257	D	88.8	Confident	75.1	Confident	29 Å²	29	45 Å²	45	16%	0.155	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	112.3	167.2	174.9	-2.3	0	0	0	108.5	T66 L68 S259 R260	T66-D257 WeakPolarHBondContact CG2-OD1 3.31Å; T66-D257 PolarHBondContact OG1-OD1 2.91Å; L68-D257 HydrophobicContact CD1-CB 4.38Å; D257-S259 PolarHBondContact O-N 2.92Å; D257-S259 VanDerWaalsContact O-N 3.11Å; D257-S259 WeakPolarHBondContact OD1-CB 3.36Å; D257-S259 PolarHBondContact OD1-N 3.49Å; D257-S259 VanDerWaalsContact OD1-N 3.08Å; D257-S259 PolarHBondContact OD1-OG 3.2Å; D257-S259 PolarHBondContact OD2-OG 2.97Å; D257-R260 HydrophobicContact CB-CG 4.12Å; D257-R260 PolarHBondContact O-N 2.97Å; D257-R260 IonicContact OD2-NE 3.12Å; D257-R260 PolarHBondContact OD2-NE 2.98Å; D257-R260 VanDerWaalsContact OD2-NE 3.12Å
258	L	89.2	Confident	78.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-61.2	-24.5	-173.8	-61.7	-168	0	0	0	112.5	L67 L69 A256 R260 L261 L264 F304 W307	L67-L258 HydrophobicContact CB-CB 4.26Å; L67-L258 HydrophobicContact CB-CD1 3.64Å; L67-L258 HydrophobicContact CB-CG 3.97Å; L67-L258 HydrophobicContact CD1-CD1 4.07Å; L67-L258 HydrophobicContact CG-CD1 4.49Å; L67-L258 WeakPolarHBondContact O-CB 3.41Å; L67-L258 WeakPolarHBondContact O-CG 3.44Å; L67-L258 PolarHBondContact O-N 3.11Å; L69-L258 HydrophobicContact CB-CD2 3.78Å; L69-L258 HydrophobicContact CB-CG 4.39Å; L69-L258 HydrophobicContact CD1-CD2 4Å; A256-L258 PolarHBondContact O-N 3.11Å; L258-R260 PolarHBondContact O-N 2.87Å; L258-L261 HydrophobicContact CD2-CD1 3.48Å; L258-L261 VanDerWaalsContact CD2-CD1 3.48Å; L258-L261 PolarHBondContact O-N 2.97Å; L258-L264 HydrophobicContact CD1-CD2 4.13Å; L258-L264 HydrophobicContact CD2-CD1 4.31Å; L258-F304 HydrophobicContact CD1-CD1 3.87Å; L258-F304 HydrophobicContact CD1-CE1 3.32Å; L258-F304 HydrophobicContact CD1-CZ 3.83Å; L258-W307 HydrophobicContact CB-CH2 3.58Å; L258-W307 HydrophobicContact CB-CZ2 4.2Å; L258-W307 HydrophobicContact CB-CZ3 3.84Å; L258-W307 HydrophobicContact CD1-CZ3 4.45Å
259	S	84.1	Confident	81	Confident	36 Å²	36	31.9 Å²	31.9	25%	0.252	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-66.3	-22.8	176.9	69.7	0	0	0	0	113.5	T66 D257	T66-S259 VanDerWaalsContact OG1-CB 3.3Å; T66-S259 WeakPolarHBondContact OG1-CB 3.07Å; T66-S259 PolarHBondContact OG1-N 2.77Å; T66-S259 PolarHBondContact OG1-OG 3.21Å; D257-S259 PolarHBondContact O-N 2.92Å; D257-S259 VanDerWaalsContact O-N 3.11Å; D257-S259 WeakPolarHBondContact OD1-CB 3.36Å; D257-S259 PolarHBondContact OD1-N 3.49Å; D257-S259 VanDerWaalsContact OD1-N 3.08Å; D257-S259 PolarHBondContact OD1-OG 3.2Å; D257-S259 PolarHBondContact OD2-OG 2.97Å
260	R	85.5	Confident	83.5	Confident	185 Å²	185	28.5 Å²	28.5	70%	0.698	15%	0.148	S	C	*	.	G	3₁₀ helix	trans	-93.7	-5.7	-178	-56.6	-176.9	-174.5	-155	-7	113.7	D257 L258 H283	D257-R260 HydrophobicContact CB-CG 4.12Å; D257-R260 PolarHBondContact O-N 2.97Å; D257-R260 IonicContact OD2-NE 3.12Å; D257-R260 PolarHBondContact OD2-NE 2.98Å; D257-R260 VanDerWaalsContact OD2-NE 3.12Å; L258-R260 PolarHBondContact O-N 2.87Å; R260-H283 PolarHBondContact O-CE1 2.81Å; R260-H283 VanDerWaalsContact O-CE1 3.23Å; R260-H283 PolarHBondContact O-ND1 3.22Å
261	L	87.7	Confident	85.5	Confident	8 Å²	8	28 Å²	28	4%	0.042	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	148.7	179	-63.3	178.8	0	0	0	111.1	A256 L258 V280 A281 H283 L326	A256-L261 HydrophobicContact CB-CD2 4.47Å; L258-L261 HydrophobicContact CD2-CD1 3.48Å; L258-L261 VanDerWaalsContact CD2-CD1 3.48Å; L258-L261 PolarHBondContact O-N 2.97Å; L261-V280 HydrophobicContact CD1-CB 3.78Å; L261-V280 HydrophobicContact CD1-CG1 3.74Å; L261-V280 HydrophobicContact CD2-CB 4.5Å; L261-A281 CarbonylContact C-O 3.59Å; L261-A281 WeakPolarHBondContact CA-O 3.47Å; L261-A281 WeakPolarHBondContact CB-O 3.07Å; L261-H283 PolarHBondContact O-CE1 3.06Å; L261-L326 HydrophobicContact CB-CD1 3.82Å; L261-L326 VanDerWaalsContact O-CD1 3.22Å; L261-L326 WeakPolarHBondContact O-CD1 3.1Å
262	K	87.9	Confident	87.2	Confident	32 Å²	32	31.8 Å²	31.8	14%	0.139	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-39.7	169.3	-179.8	-168.5	168.9	-168.4	0	110.5	A281 N282 L326 H327 E618	K262-A281 PolarHBondContact N-O 2.83Å; K262-N282 WeakPolarHBondContact CB-O 3.44Å; K262-L326 WeakPolarHBondContact O-CA 3.17Å; K262-H327 PolarHBondContact O-N 3.33Å; K262-E618 IonicContact NZ-OE1 3.9Å; K262-E618 PolarHBondContact NZ-OE1 2.8Å; K262-E618 IonicContact NZ-OE2 3.55Å
263	V	88.6	Confident	87.9	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	136.9	-176.2	-178.7	0	0	0	0	110.6	R265 V280 A281 E612	V263-R265 HydrophobicContact CG1-CB 4.07Å; V263-V280 WeakPolarHBondContact O-CA 3.45Å; V263-A281 HydrophobicContact CB-CB 3.77Å; V263-A281 HydrophobicContact CG2-CB 4.1Å; V263-A281 PolarHBondContact N-O 3.18Å; V263-A281 VanDerWaalsContact N-O 3.11Å; V263-A281 PolarHBondContact O-N 2.83Å; V263-E612 WeakPolarHBondContact CG1-OE2 3.37Å; V263-E612 WeakPolarHBondContact CG2-OE2 3.21Å
264	L	91.7	Very high	88.1	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	98.3	167.7	-179.9	68.7	0	0	0	108	L258 L278 V280 F304 W307 L326 H327 F328 S329	L258-L264 HydrophobicContact CD1-CD2 4.13Å; L258-L264 HydrophobicContact CD2-CD1 4.31Å; L264-L278 HydrophobicContact CD1-CD1 3.63Å; L264-L278 HydrophobicContact CG-CD1 4.5Å; L264-V280 HydrophobicContact CD1-CG1 3.73Å; L264-F304 HydrophobicContact CD1-CD2 4.27Å; L264-F304 HydrophobicContact CD1-CE2 3.92Å; L264-F304 HydrophobicContact CD1-CZ 4.38Å; L264-F304 HydrophobicContact CD2-CB 4.13Å; L264-F304 HydrophobicContact CD2-CD1 4.23Å; L264-F304 HydrophobicContact CD2-CD2 3.82Å; L264-F304 HydrophobicContact CD2-CE2 4.19Å; L264-F304 HydrophobicContact CD2-CG 3.82Å; L264-F304 HydrophobicContact CG-CD2 4.21Å; L264-F304 HydrophobicContact CG-CE2 4.37Å; L264-W307 HydrophobicContact CD2-CZ3 4.28Å; L264-L326 HydrophobicContact CB-CD1 3.93Å; L264-L326 HydrophobicContact CB-CD2 4.45Å; L264-H327 PolarHBondContact N-O 3.42Å; L264-F328 HydrophobicContact CB-CD2 4.28Å; L264-F328 HydrophobicContact CD2-CD2 3.81Å; L264-F328 HydrophobicContact CD2-CE2 4.23Å; L264-F328 HydrophobicContact CG-CD2 3.97Å; L264-F328 HydrophobicContact CG-CE2 4.43Å; L264-F328 WeakPolarHBondContact O-CA 3.48Å; L264-F328 WeakPolarHBondContact O-CD2 3.43Å; L264-S329 PolarHBondContact O-N 2.89Å; L264-S329 VanDerWaalsContact O-N 3.08Å
265	R	91.6	Very high	88.1	Confident	7 Å²	7	33.4 Å²	33.4	3%	0.026	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.2	-173.9	-176.6	-170.7	-48.7	136.5	5.1	110.7	V263 L278 V279 S329 L331 E612	V263-R265 HydrophobicContact CG1-CB 4.07Å; R265-L278 WeakPolarHBondContact O-CA 3.18Å; R265-V279 HydrophobicContact CB-CB 4.31Å; R265-V279 PolarHBondContact N-O 2.98Å; R265-V279 PolarHBondContact O-N 3.48Å; R265-S329 WeakPolarHBondContact CA-O 3.22Å; R265-S329 WeakPolarHBondContact CG-OG 3.5Å; R265-L331 VanDerWaalsContact CD-CD1 3.44Å; R265-L331 HydrophobicContact CG-CD1 3.41Å; R265-L331 VanDerWaalsContact CG-CD1 3.41Å; R265-E612 IonicContact CZ-OE1 2.76Å; R265-E612 IonicContact CZ-OE2 2.86Å; R265-E612 IonicContact NE-OE1 3.64Å; R265-E612 PolarHBondContact NE-OE1 3.21Å; R265-E612 IonicContact NE-OE2 3.84Å; R265-E612 IonicContact NH2-OE1 3.52Å; R265-E612 PolarHBondContact NH2-OE1 3Å; R265-E612 VanDerWaalsContact NH2-OE1 3.16Å; R265-E612 IonicContact NH2-OE2 3.78Å; R265-E612 PolarHBondContact NH2-OE2 2.88Å
266	L	92.8	Very high	88.2	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.6	167.8	-61.2	90.6	0	0	0	108.9	F268 Q277 L278 L297 L300 A301 F304 F328 S329 V330 L331	L266-F268 HydrophobicContact CB-CE2 4.46Å; L266-Q277 WeakPolarHBondContact CA-O 3.21Å; L266-L278 HydrophobicContact CD1-CD1 4.33Å; L266-L278 HydrophobicContact CG-CD1 3.99Å; L266-L297 HydrophobicContact CD2-CD1 3.73Å; L266-L297 HydrophobicContact CD2-CG 4.09Å; L266-L297 HydrophobicContact CG-CD1 4.43Å; L266-L300 HydrophobicContact CD2-CB 4.26Å; L266-L300 HydrophobicContact CD2-CD2 4.11Å; L266-L300 HydrophobicContact CD2-CG 4.36Å; L266-A301 HydrophobicContact CD2-CB 3.95Å; L266-F304 HydrophobicContact CD1-CD2 3.78Å; L266-F304 HydrophobicContact CD1-CE2 4.45Å; L266-F304 HydrophobicContact CD2-CD2 4.29Å; L266-F328 HydrophobicContact CD1-CD2 4.39Å; L266-F328 HydrophobicContact CD1-CE2 3.5Å; L266-F328 VanDerWaalsContact CD1-CE2 3.5Å; L266-F328 HydrophobicContact CD1-CZ 4.22Å; L266-S329 PolarHBondContact N-O 3.06Å; L266-V330 HydrophobicContact CB-CG2 4.39Å; L266-V330 HydrophobicContact CD1-CG2 4.1Å; L266-V330 CarbonylContact O-C 3.23Å; L266-V330 WeakPolarHBondContact O-CA 3.47Å; L266-L331 PolarHBondContact O-N 3.22Å
267	F	91.9	Very high	88.3	Confident	3 Å²	3	31.7 Å²	31.7	1%	0.013	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	119	178.4	179.3	-86.6	0	0	0	108.6	G276 Q277 L331 Y605 L626 H629	F267-G276 CarbonylContact O-C 3.47Å; F267-G276 WeakPolarHBondContact O-CA 3.35Å; F267-Q277 HydrophobicContact CB-CB 4.34Å; F267-Q277 PolarHBondContact N-O 3.27Å; F267-Q277 PolarHBondContact O-N 3.04Å; F267-L331 HydrophobicContact CD2-CB 3.84Å; F267-L331 HydrophobicContact CD2-CD2 4.4Å; F267-L331 HydrophobicContact CE2-CB 4.47Å; F267-Y605 AromaticContact CE2-CD1 3.76Å; F267-Y605 HydrophobicContact CE2-CD1 3.76Å; F267-Y605 AromaticContact CE2-CE1 3.42Å; F267-Y605 HydrophobicContact CE2-CE1 3.42Å; F267-Y605 VanDerWaalsContact CE2-CE1 3.42Å; F267-Y605 HydrophobicContact CZ-CD1 4.47Å; F267-Y605 AromaticContact CZ-CE1 3.75Å; F267-Y605 HydrophobicContact CZ-CE1 3.75Å; F267-L626 HydrophobicContact CD2-CD2 3.99Å; F267-L626 HydrophobicContact CE2-CD2 3.63Å; F267-L626 HydrophobicContact CZ-CD2 4.06Å; F267-H629 HydrophobicContact CD1-CB 4.25Å; F267-H629 HydrophobicContact CE1-CB 3.67Å; F267-H629 VanDerWaalsContact CE1-O 3.24Å; F267-H629 WeakPolarHBondContact CE1-O 3.43Å; F267-H629 HydrophobicContact CZ-CB 4.47Å
268	F	91.6	Very high	88.6	Confident	8 Å²	8	30.3 Å²	30.3	4%	0.035	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	124.9	176	-72.3	-91.3	0	0	0	109.6	L266 A273 L297 D298 A301 V330 L331 R332	L266-F268 HydrophobicContact CB-CE2 4.46Å; F268-A273 HydrophobicContact CD1-CB 3.54Å; F268-A273 HydrophobicContact CE1-CB 3.69Å; F268-A273 HydrophobicContact CG-CB 4.48Å; F268-L297 HydrophobicContact CD1-CD2 3.85Å; F268-L297 HydrophobicContact CD1-CG 4.44Å; F268-L297 HydrophobicContact CD2-CD2 4.45Å; F268-L297 HydrophobicContact CE1-CB 3.88Å; F268-L297 HydrophobicContact CE1-CD2 3.79Å; F268-L297 HydrophobicContact CE1-CG 3.87Å; F268-L297 HydrophobicContact CE2-CD2 4.37Å; F268-L297 HydrophobicContact CE2-CG 4.44Å; F268-L297 HydrophobicContact CG-CD2 4.2Å; F268-L297 HydrophobicContact CZ-CB 4.21Å; F268-L297 HydrophobicContact CZ-CD2 4.06Å; F268-L297 HydrophobicContact CZ-CG 3.86Å; F268-D298 HydrophobicContact CE1-CB 4.49Å; F268-A301 HydrophobicContact CE2-CB 4.38Å; F268-A301 HydrophobicContact CZ-CB 4.21Å; F268-V330 HydrophobicContact CD2-CG1 4Å; F268-V330 HydrophobicContact CE2-CG1 3.61Å; F268-L331 PolarHBondContact N-O 2.8Å; F268-R332 HydrophobicContact CB-CG 4.09Å; F268-R332 HydrophobicContact CD2-CG 3.47Å; F268-R332 VanDerWaalsContact CD2-CG 3.47Å; F268-R332 HydrophobicContact CE2-CG 4.2Å; F268-R332 VanDerWaalsContact CE2-NE 3.26Å; F268-R332 HydrophobicContact CG-CG 3.94Å
269	S	87.1	Confident	88.7	Confident	17 Å²	17	30.5 Å²	30.5	12%	0.119	16%	0.159	C	C	.	.	S	Bend	trans	-87.8	-13.7	-176.2	-65.8	0	0	0	0	114	C275 H629	S269-C275 PolarHBondContact N-O 3.03Å; S269-H629 VanDerWaalsContact CA-O 3.31Å; S269-H629 WeakPolarHBondContact CA-O 3.2Å; S269-H629 WeakPolarHBondContact CB-O 3.41Å; S269-H629 WeakPolarHBondContact OG-CB 3.3Å; S269-H629 PolarHBondContact OG-ND1 2.85Å; S269-H629 PolarHBondContact OG-O 2.81Å
270	N	84.3	Confident	89.1	Confident	31 Å²	31	28.8 Å²	28.8	17%	0.166	15%	0.147	C	C	.	.	S	Bend	trans	-141	154.3	180	69.9	-34.4	0	0	0	112.3	E272 A273 T274 C275	N270-E272 VanDerWaalsContact C-N 3.25Å; N270-E272 WeakPolarHBondContact CB-OE2 3.47Å; N270-E272 PolarHBondContact ND2-OE2 2.87Å; N270-E272 PolarHBondContact O-N 3.08Å; N270-A273 PolarHBondContact O-N 3.31Å; N270-A273 PolarHBondContact OD1-N 2.81Å; N270-T274 PolarHBondContact ND2-OG1 2.83Å; N270-T274 PolarHBondContact OD1-N 2.85Å; N270-C275 VanDerWaalsContact CG-SG 3.59Å; N270-C275 PolarHBondContact OD1-N 2.9Å; N270-C275 PolarHBondContact OD1-SG 2.86Å; N270-C275 VanDerWaalsContact OD1-SG 3.38Å
271	P	80.9	Confident	89.3	Confident	79 Å²	79	20 Å²	20	51%	0.513	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.5	-179.5	-25	36.8	0	0	0	113.9	A273 D631 R633	P271-A273 PolarHBondContact O-N 2.95Å; P271-D631 WeakPolarHBondContact CD-OD2 3.42Å; P271-D631 VanDerWaalsContact CG-OD2 3.28Å; P271-D631 WeakPolarHBondContact CG-OD2 3.38Å; P271-R633 VanDerWaalsContact CG-NH2 3.29Å
272	E	85	Confident	89.4	Confident	122 Å²	122	20.8 Å²	20.8	57%	0.57	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-7.2	177.8	-54.1	74.2	-156.4	0	0	112.3	N270 T274	N270-E272 VanDerWaalsContact C-N 3.25Å; N270-E272 WeakPolarHBondContact CB-OE2 3.47Å; N270-E272 PolarHBondContact ND2-OE2 2.87Å; N270-E272 PolarHBondContact O-N 3.08Å; E272-T274 HydrophobicContact CB-CG2 3.91Å; E272-T274 PolarHBondContact O-N 2.86Å
273	A	84.5	Confident	89.3	Confident	23 Å²	23	23.5 Å²	23.5	19%	0.19	13%	0.131	C	C	.	.	S	Bend	trans	59.1	29.4	178.2	0	0	0	0	0	114.2	F268 N270 P271	F268-A273 HydrophobicContact CD1-CB 3.54Å; F268-A273 HydrophobicContact CE1-CB 3.69Å; F268-A273 HydrophobicContact CG-CB 4.48Å; N270-A273 PolarHBondContact O-N 3.31Å; N270-A273 PolarHBondContact OD1-N 2.81Å; P271-A273 PolarHBondContact O-N 2.95Å
274	T	87.4	Confident	89.2	Confident	47 Å²	47	30.5 Å²	30.5	29%	0.288	16%	0.164	S	C	.	.			trans	-94.1	-18.5	-177.6	65.6	0	0	0	0	112.6	N270 E272 N294 D295	N270-T274 PolarHBondContact ND2-OG1 2.83Å; N270-T274 PolarHBondContact OD1-N 2.85Å; E272-T274 HydrophobicContact CB-CG2 3.91Å; E272-T274 PolarHBondContact O-N 2.86Å; T274-N294 CarbonylContact O-C 3.55Å; T274-N294 VanDerWaalsContact O-C 3.23Å; T274-N294 WeakPolarHBondContact O-CA 3.37Å; T274-D295 WeakPolarHBondContact CB-OD1 3.42Å; T274-D295 VanDerWaalsContact CG2-OD1 3.29Å; T274-D295 WeakPolarHBondContact CG2-OD1 3.32Å; T274-D295 WeakPolarHBondContact O-CA 3.24Å; T274-D295 PolarHBondContact O-N 3.25Å
275	C	90.2	Very high	88.8	Confident	33 Å²	33	35.2 Å²	35.2	22%	0.223	18%	0.181	C	C	.	.			trans	-139.6	164.2	177.5	67.7	0	0	0	0	112.2	S269 N270 F292	S269-C275 PolarHBondContact N-O 3.03Å; N270-C275 VanDerWaalsContact CG-SG 3.59Å; N270-C275 PolarHBondContact OD1-N 2.9Å; N270-C275 PolarHBondContact OD1-SG 2.86Å; N270-C275 VanDerWaalsContact OD1-SG 3.38Å; C275-F292 CarbonylContact C-O 3.49Å; C275-F292 WeakPolarHBondContact CA-O 3.3Å; C275-F292 WeakPolarHBondContact CB-O 3.38Å
276	G	91.4	Very high	88.6	Confident	2 Å²	2	36.6 Å²	36.6	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.3	-162.4	-177.7	0	0	0	0	0	114.1	F267 F292	F267-G276 CarbonylContact O-C 3.47Å; F267-G276 WeakPolarHBondContact O-CA 3.35Å; G276-F292 PolarHBondContact N-O 3.49Å; G276-F292 PolarHBondContact O-N 3.12Å
277	Q	92.9	Very high	88.4	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.009	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.9	-179.3	-58.4	174.3	-8.6	0	0	110.9	L266 F267 I289 F290 Y291 S625 H629	L266-Q277 WeakPolarHBondContact CA-O 3.21Å; F267-Q277 HydrophobicContact CB-CB 4.34Å; F267-Q277 PolarHBondContact N-O 3.27Å; F267-Q277 PolarHBondContact O-N 3.04Å; Q277-I289 HydrophobicContact CB-CG2 4.13Å; Q277-I289 HydrophobicContact CG-CG2 4.22Å; Q277-F290 CarbonylContact C-O 3.59Å; Q277-F290 VanDerWaalsContact CA-O 3.3Å; Q277-F290 WeakPolarHBondContact CA-O 3.48Å; Q277-Y291 HydrophobicContact CG-CD1 3.87Å; Q277-Y291 HydrophobicContact CG-CE1 3.81Å; Q277-Y291 VanDerWaalsContact NE2-CE1 3.33Å; Q277-S625 PolarHBondContact NE2-O 3.38Å; Q277-H629 PolarHBondContact NE2-CD2 2.84Å; Q277-H629 PolarHBondContact NE2-NE2 3.38Å
278	L	93.9	Very high	88.3	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.7	159.1	167.3	69.1	0	0	0	108.5	F53 L69 L264 R265 L266 V280 F290 F292 L300 F304	F53-L278 HydrophobicContact CE2-CD2 3.89Å; F53-L278 HydrophobicContact CZ-CD2 3.63Å; L69-L278 HydrophobicContact CD1-CD2 3.8Å; L264-L278 HydrophobicContact CD1-CD1 3.63Å; L264-L278 HydrophobicContact CG-CD1 4.5Å; R265-L278 WeakPolarHBondContact O-CA 3.18Å; L266-L278 HydrophobicContact CD1-CD1 4.33Å; L266-L278 HydrophobicContact CG-CD1 3.99Å; L278-V280 HydrophobicContact CD1-CG1 4.47Å; L278-V280 HydrophobicContact CG-CG1 4.38Å; L278-F290 HydrophobicContact CB-CB 4.21Å; L278-F290 HydrophobicContact CD2-CD2 4.01Å; L278-F290 HydrophobicContact CG-CD2 4.21Å; L278-F290 PolarHBondContact N-O 3.08Å; L278-F290 PolarHBondContact O-N 3.21Å; L278-F292 HydrophobicContact CB-CE2 3.94Å; L278-L300 HydrophobicContact CD2-CD2 3.89Å; L278-F304 HydrophobicContact CD1-CE2 4.05Å; L278-F304 HydrophobicContact CD2-CE2 4.28Å
279	V	91.7	Very high	88.3	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.024	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	124	175.3	-174.2	0	0	0	0	108.8	R265 Y287 I289	R265-V279 HydrophobicContact CB-CB 4.31Å; R265-V279 PolarHBondContact N-O 2.98Å; R265-V279 PolarHBondContact O-N 3.48Å; V279-Y287 HydrophobicContact CG1-CD1 3.94Å; V279-I289 HydrophobicContact CG1-CG1 4.41Å; V279-I289 HydrophobicContact CG2-CG1 4.24Å; V279-I289 HydrophobicContact CG2-CG2 4.17Å
280	V	92.4	Very high	88.6	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	141.6	171	-67.2	0	0	0	0	109.7	L69 L219 F254 L261 V263 L264 L278 Y287 K288 F290	L69-V280 HydrophobicContact CD1-CG1 4.14Å; L219-V280 HydrophobicContact CD1-CG2 3.97Å; F254-V280 HydrophobicContact CE1-CG2 4.47Å; F254-V280 HydrophobicContact CZ-CG2 4.25Å; L261-V280 HydrophobicContact CD1-CB 3.78Å; L261-V280 HydrophobicContact CD1-CG1 3.74Å; L261-V280 HydrophobicContact CD2-CB 4.5Å; V263-V280 WeakPolarHBondContact O-CA 3.45Å; L264-V280 HydrophobicContact CD1-CG1 3.73Å; L278-V280 HydrophobicContact CD1-CG1 4.47Å; L278-V280 HydrophobicContact CG-CG1 4.38Å; V280-Y287 CarbonylContact O-C 3.59Å; V280-Y287 VanDerWaalsContact O-CA 3.27Å; V280-Y287 WeakPolarHBondContact O-CA 3.24Å; V280-K288 HydrophobicContact CG2-CB 3.79Å; V280-K288 WeakPolarHBondContact CG2-O 3.5Å; V280-K288 PolarHBondContact N-O 3.34Å; V280-K288 PolarHBondContact O-N 3.15Å; V280-F290 HydrophobicContact CG2-CE2 3.81Å
281	A	90.2	Very high	89	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	143.2	173.3	0	0	0	0	0	112.6	L261 K262 V263 Q286 Y287	L261-A281 CarbonylContact C-O 3.59Å; L261-A281 WeakPolarHBondContact CA-O 3.47Å; L261-A281 WeakPolarHBondContact CB-O 3.07Å; K262-A281 PolarHBondContact N-O 2.83Å; V263-A281 HydrophobicContact CB-CB 3.77Å; V263-A281 HydrophobicContact CG2-CB 4.1Å; V263-A281 PolarHBondContact N-O 3.18Å; V263-A281 VanDerWaalsContact N-O 3.11Å; V263-A281 PolarHBondContact O-N 2.83Å; A281-Q286 CarbonylContact C-O 3.47Å; A281-Q286 WeakPolarHBondContact CA-O 3.1Å; A281-Y287 HydrophobicContact CB-CD1 3.39Å; A281-Y287 HydrophobicContact CB-CE1 3.39Å; A281-Y287 HydrophobicContact CB-CG 4.09Å
282	N	89.9	Confident	89.6	Confident	26 Å²	26	33 Å²	33	14%	0.139	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	177.2	172.6	72.6	9	0	0	0	111.9	L219 K262 Q284 R285 Q286	L219-N282 HydrophobicContact CD2-CB 3.87Å; L219-N282 VanDerWaalsContact CD2-ND2 3.27Å; L219-N282 WeakPolarHBondContact CD2-ND2 3.01Å; K262-N282 WeakPolarHBondContact CB-O 3.44Å; N282-Q284 PolarHBondContact O-N 3.11Å; N282-Q284 VanDerWaalsContact OD1-C 3.27Å; N282-Q284 VanDerWaalsContact OD1-CA 3.31Å; N282-Q284 WeakPolarHBondContact OD1-CA 3.42Å; N282-Q284 WeakPolarHBondContact OD1-CB 3.49Å; N282-Q284 PolarHBondContact OD1-N 3.29Å; N282-R285 PolarHBondContact O-N 3.31Å; N282-R285 VanDerWaalsContact O-N 3.15Å; N282-R285 PolarHBondContact OD1-N 3.06Å; N282-R285 VanDerWaalsContact OD1-N 3.11Å; N282-Q286 PolarHBondContact N-O 3.31Å; N282-Q286 PolarHBondContact ND2-OE1 2.85Å; N282-Q286 WeakPolarHBondContact OD1-CB 3.41Å; N282-Q286 PolarHBondContact OD1-N 3.02Å
283	H	86	Confident	89.8	Confident	88 Å²	88	30.9 Å²	30.9	41%	0.407	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-13.7	177.4	-66.6	82.9	0	0	0	113.6	R260 L261 R285	R260-H283 PolarHBondContact O-CE1 2.81Å; R260-H283 VanDerWaalsContact O-CE1 3.23Å; R260-H283 PolarHBondContact O-ND1 3.22Å; L261-H283 PolarHBondContact O-CE1 3.06Å; H283-R285 VanDerWaalsContact C-N 3.25Å
284	Q	85.5	Confident	90	Very high	149 Å²	149	35.5 Å²	35.5	70%	0.696	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	9.3	172.5	-62.4	176.1	-21.9	0	0	112.4	N282 Q286	N282-Q284 PolarHBondContact O-N 3.11Å; N282-Q284 VanDerWaalsContact OD1-C 3.27Å; N282-Q284 VanDerWaalsContact OD1-CA 3.31Å; N282-Q284 WeakPolarHBondContact OD1-CA 3.42Å; N282-Q284 WeakPolarHBondContact OD1-CB 3.49Å; N282-Q284 PolarHBondContact OD1-N 3.29Å; Q284-Q286 HydrophobicContact CB-CG 4.43Å; Q284-Q286 PolarHBondContact O-N 3.29Å
285	R	82.7	Confident	90.1	Very high	98 Å²	98	37.7 Å²	37.7	37%	0.37	18%	0.183	S	C	.	.			trans	61.1	31.6	179.7	-48.4	177.3	-170.2	166.7	-2.5	113.3	N282 H283 Y287	N282-R285 PolarHBondContact O-N 3.31Å; N282-R285 VanDerWaalsContact O-N 3.15Å; N282-R285 PolarHBondContact OD1-N 3.06Å; N282-R285 VanDerWaalsContact OD1-N 3.11Å; H283-R285 VanDerWaalsContact C-N 3.25Å; R285-Y287 HydrophobicContact CB-CE2 4.43Å; R285-Y287 VanDerWaalsContact O-CD2 3.24Å; R285-Y287 WeakPolarHBondContact O-CD2 3.18Å; R285-Y287 WeakPolarHBondContact O-CE2 3.12Å
286	Q	88.2	Confident	90.1	Very high	37 Å²	37	36.7 Å²	36.7	17%	0.173	18%	0.178	C	C	.	.			trans	-95	138.7	169.8	-62.3	175	-40.6	0	0	109	M217 L219 A281 N282 Q284	M217-Q286 CarbonylContact O-C 3.16Å; M217-Q286 WeakPolarHBondContact O-CA 3.4Å; L219-Q286 HydrophobicContact CB-CB 4.48Å; L219-Q286 HydrophobicContact CD2-CB 3.66Å; L219-Q286 HydrophobicContact CG-CB 3.78Å; L219-Q286 WeakPolarHBondContact CG-O 3.29Å; A281-Q286 CarbonylContact C-O 3.47Å; A281-Q286 WeakPolarHBondContact CA-O 3.1Å; N282-Q286 PolarHBondContact N-O 3.31Å; N282-Q286 PolarHBondContact ND2-OE1 2.85Å; N282-Q286 WeakPolarHBondContact OD1-CB 3.41Å; N282-Q286 PolarHBondContact OD1-N 3.02Å; Q284-Q286 HydrophobicContact CB-CG 4.43Å; Q284-Q286 PolarHBondContact O-N 3.29Å
287	Y	88.8	Confident	90	Very high	18 Å²	18	36.6 Å²	36.6	7%	0.071	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	154.3	-172.2	-62.5	-92.9	0	0	0	112.4	M217 L219 V279 V280 A281 R285 E618 L621	M217-Y287 HydrophobicContact CB-CD2 4.36Å; M217-Y287 PolarHBondContact O-N 2.74Å; L219-Y287 PolarHBondContact N-O 2.88Å; V279-Y287 HydrophobicContact CG1-CD1 3.94Å; V280-Y287 CarbonylContact O-C 3.59Å; V280-Y287 VanDerWaalsContact O-CA 3.27Å; V280-Y287 WeakPolarHBondContact O-CA 3.24Å; A281-Y287 HydrophobicContact CB-CD1 3.39Å; A281-Y287 HydrophobicContact CB-CE1 3.39Å; A281-Y287 HydrophobicContact CB-CG 4.09Å; R285-Y287 HydrophobicContact CB-CE2 4.43Å; R285-Y287 VanDerWaalsContact O-CD2 3.24Å; R285-Y287 WeakPolarHBondContact O-CD2 3.18Å; R285-Y287 WeakPolarHBondContact O-CE2 3.12Å; Y287-E618 HydrophobicContact CE2-CG 4.4Å; Y287-E618 WeakPolarHBondContact OH-CB 3.47Å; Y287-E618 VanDerWaalsContact OH-CD 3.29Å; Y287-E618 WeakPolarHBondContact OH-CG 3.38Å; Y287-E618 PolarHBondContact OH-OE1 3.21Å; Y287-L621 HydrophobicContact CD1-CD2 4.49Å; Y287-L621 HydrophobicContact CD2-CD2 3.36Å; Y287-L621 HydrophobicContact CE2-CD2 3.73Å; Y287-L621 HydrophobicContact CG-CD2 3.79Å
288	K	90.2	Very high	89.9	Confident	21 Å²	21	39.8 Å²	39.8	9%	0.091	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	132.6	162.4	-163.2	166.1	-177.1	111.5	0	108.7	L219 D221 F254 V280 F290	L219-K288 HydrophobicContact CB-CB 4.21Å; L219-K288 HydrophobicContact CD1-CB 3.95Å; D221-K288 IonicContact OD1-NZ 3.74Å; D221-K288 PolarHBondContact OD1-NZ 3.27Å; F254-K288 HydrophobicContact CB-CD 4.31Å; F254-K288 HydrophobicContact CD1-CD 3.9Å; F254-K288 HydrophobicContact CD2-CD 3.37Å; F254-K288 HydrophobicContact CE1-CD 3.97Å; F254-K288 HydrophobicContact CE2-CD 3.48Å; F254-K288 VanDerWaalsContact CE2-CD 3.48Å; F254-K288 HydrophobicContact CG-CD 3.58Å; F254-K288 HydrophobicContact CZ-CB 4.4Å; F254-K288 HydrophobicContact CZ-CD 3.76Å; V280-K288 HydrophobicContact CG2-CB 3.79Å; V280-K288 WeakPolarHBondContact CG2-O 3.5Å; V280-K288 PolarHBondContact N-O 3.34Å; V280-K288 PolarHBondContact O-N 3.15Å; K288-F290 HydrophobicContact CB-CE2 4.32Å; K288-F290 HydrophobicContact CB-CZ 4.47Å; K288-F290 HydrophobicContact CD-CE1 4.16Å; K288-F290 HydrophobicContact CD-CE2 4.33Å; K288-F290 HydrophobicContact CD-CZ 3.66Å; K288-F290 HydrophobicContact CG-CE1 4.34Å; K288-F290 HydrophobicContact CG-CE2 4.14Å; K288-F290 HydrophobicContact CG-CZ 3.88Å
289	I	90.8	Very high	89.8	Confident	14 Å²	14	45 Å²	45	7%	0.072	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129.3	-179.5	-49.1	177.1	0	0	0	108.3	P208 Q277 V279 Y291	P208-I289 HydrophobicContact CB-CD1 4.18Å; Q277-I289 HydrophobicContact CB-CG2 4.13Å; Q277-I289 HydrophobicContact CG-CG2 4.22Å; V279-I289 HydrophobicContact CG1-CG1 4.41Å; V279-I289 HydrophobicContact CG2-CG1 4.24Å; V279-I289 HydrophobicContact CG2-CG2 4.17Å; I289-Y291 HydrophobicContact CB-CE2 3.86Å; I289-Y291 HydrophobicContact CG2-CD2 4.19Å; I289-Y291 HydrophobicContact CG2-CE1 4.14Å; I289-Y291 HydrophobicContact CG2-CE2 3.49Å; I289-Y291 VanDerWaalsContact CG2-CE2 3.49Å; I289-Y291 VanDerWaalsContact CG2-CZ 3.46Å; I289-Y291 WeakPolarHBondContact CG2-OH 3.49Å
290	F	93.4	Very high	89.8	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.1	176	-60.9	-80	0	0	0	109.5	V35 V37 F53 L69 W71 F254 Q277 L278 V280 K288 F292	V35-F290 HydrophobicContact CG1-CB 3.79Å; V35-F290 HydrophobicContact CG1-CD1 4.27Å; V35-F290 HydrophobicContact CG1-CG 4.46Å; V37-F290 HydrophobicContact CG2-CD1 3.64Å; V37-F290 HydrophobicContact CG2-CE1 3.84Å; F53-F290 HydrophobicContact CD2-CD1 4.19Å; F53-F290 HydrophobicContact CD2-CE1 4.44Å; F53-F290 HydrophobicContact CD2-CG 4.42Å; F53-F290 HydrophobicContact CE2-CD1 4.32Å; F53-F290 HydrophobicContact CE2-CD2 4.24Å; F53-F290 HydrophobicContact CE2-CE2 4.41Å; F53-F290 HydrophobicContact CE2-CG 4.17Å; L69-F290 HydrophobicContact CD1-CE2 4.34Å; L69-F290 HydrophobicContact CD2-CE2 4.1Å; L69-F290 HydrophobicContact CD2-CZ 3.91Å; W71-F290 HydrophobicContact CB-CD1 4.41Å; W71-F290 HydrophobicContact CB-CE1 3.58Å; W71-F290 HydrophobicContact CB-CZ 4.25Å; W71-F290 AromaticContact CD1-CD1 3.97Å; W71-F290 AromaticContact CD1-CE1 3.94Å; W71-F290 HydrophobicContact CD2-CE1 4.18Å; W71-F290 HydrophobicContact CG-CD1 4.12Å; W71-F290 AromaticContact CG-CE1 3.62Å; W71-F290 HydrophobicContact CG-CE1 3.62Å; F254-F290 HydrophobicContact CD1-CE1 4.43Å; F254-F290 AromaticContact CD1-CZ 3.61Å; F254-F290 HydrophobicContact CD1-CZ 3.61Å; F254-F290 HydrophobicContact CE1-CE2 4.17Å; F254-F290 AromaticContact CE1-CZ 3.68Å; F254-F290 HydrophobicContact CE1-CZ 3.68Å; F254-F290 HydrophobicContact CG-CZ 4.42Å; Q277-F290 CarbonylContact C-O 3.59Å; Q277-F290 VanDerWaalsContact CA-O 3.3Å; Q277-F290 WeakPolarHBondContact CA-O 3.48Å; L278-F290 HydrophobicContact CB-CB 4.21Å; L278-F290 HydrophobicContact CD2-CD2 4.01Å; L278-F290 HydrophobicContact CG-CD2 4.21Å; L278-F290 PolarHBondContact N-O 3.08Å; L278-F290 PolarHBondContact O-N 3.21Å; V280-F290 HydrophobicContact CG2-CE2 3.81Å; K288-F290 HydrophobicContact CB-CE2 4.32Å; K288-F290 HydrophobicContact CB-CZ 4.47Å; K288-F290 HydrophobicContact CD-CE1 4.16Å; K288-F290 HydrophobicContact CD-CE2 4.33Å; K288-F290 HydrophobicContact CD-CZ 3.66Å; K288-F290 HydrophobicContact CG-CE1 4.34Å; K288-F290 HydrophobicContact CG-CE2 4.14Å; K288-F290 HydrophobicContact CG-CZ 3.88Å; F290-F292 HydrophobicContact CB-CE2 4.11Å
291	Y	92.6	Very high	89.8	Confident	6 Å²	6	45 Å²	45	2%	0.024	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.3	-175.6	-64	-94.6	0	0	0	110.6	C36 H38 E209 Q277 I289 H629	C36-Y291 PolarHBondContact N-O 2.98Å; C36-Y291 PolarHBondContact O-N 3.08Å; H38-Y291 AromaticContact CD2-CD2 3.98Å; H38-Y291 AromaticContact CE1-CD1 3.49Å; H38-Y291 VanDerWaalsContact CE1-CD1 3.49Å; H38-Y291 WeakPolarHBondContact CE1-CD1 3.12Å; H38-Y291 AromaticContact CE1-CD2 3.51Å; H38-Y291 AromaticContact CE1-CE1 3.41Å; H38-Y291 VanDerWaalsContact CE1-CE1 3.41Å; H38-Y291 WeakPolarHBondContact CE1-CE1 3.29Å; H38-Y291 AromaticContact CE1-CE2 3.47Å; H38-Y291 VanDerWaalsContact CE1-CE2 3.47Å; H38-Y291 WeakPolarHBondContact CE1-CE2 3.41Å; H38-Y291 AromaticContact CE1-CG 3.54Å; H38-Y291 AromaticContact CE1-CZ 3.43Å; H38-Y291 VanDerWaalsContact CE1-CZ 3.43Å; H38-Y291 AromaticContact CG-CE2 3.88Å; H38-Y291 AromaticContact ND1-CD2 3.79Å; H38-Y291 AromaticContact ND1-CE1 3.89Å; H38-Y291 AromaticContact ND1-CE2 3.36Å; H38-Y291 WeakPolarHBondContact ND1-CE2 3.37Å; H38-Y291 AromaticContact ND1-CZ 3.42Å; H38-Y291 AromaticContact NE2-CD1 3.95Å; H38-Y291 AromaticContact NE2-CD2 3.6Å; H38-Y291 AromaticContact NE2-CE2 4Å; H38-Y291 AromaticContact NE2-CG 3.6Å; E209-Y291 WeakPolarHBondContact OE1-CE2 3.41Å; E209-Y291 VanDerWaalsContact OE1-CZ 3.27Å; E209-Y291 PolarHBondContact OE1-OH 3.09Å; Q277-Y291 HydrophobicContact CG-CD1 3.87Å; Q277-Y291 HydrophobicContact CG-CE1 3.81Å; Q277-Y291 VanDerWaalsContact NE2-CE1 3.33Å; I289-Y291 HydrophobicContact CB-CE2 3.86Å; I289-Y291 HydrophobicContact CG2-CD2 4.19Å; I289-Y291 HydrophobicContact CG2-CE1 4.14Å; I289-Y291 HydrophobicContact CG2-CE2 3.49Å; I289-Y291 VanDerWaalsContact CG2-CE2 3.49Å; I289-Y291 VanDerWaalsContact CG2-CZ 3.46Å; I289-Y291 WeakPolarHBondContact CG2-OH 3.49Å; Y291-H629 AromaticContact CD1-CE1 3.72Å; Y291-H629 AromaticContact CD1-NE2 3.59Å; Y291-H629 AromaticContact CE1-CE1 3.9Å; Y291-H629 AromaticContact CE1-NE2 3.3Å; Y291-H629 VanDerWaalsContact CE1-NE2 3.3Å; Y291-H629 WeakPolarHBondContact CE1-NE2 3.36Å
292	F	93.3	Very high	89.8	Confident	3 Å²	3	49.4 Å²	49.4	1%	0.013	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	108.1	176	-72.5	-106.3	0	0	0	108	Y30 K32 V35 F53 C275 G276 L278 F290 L297 L300	Y30-F292 HydrophobicContact CE1-CE1 4.42Å; Y30-F292 WeakPolarHBondContact OH-CE1 3.43Å; K32-F292 HydrophobicContact CD-CD1 3.54Å; K32-F292 HydrophobicContact CD-CE1 3.55Å; V35-F292 HydrophobicContact CG1-CD2 4.24Å; V35-F292 HydrophobicContact CG1-CE2 3.84Å; V35-F292 HydrophobicContact CG1-CZ 3.99Å; V35-F292 HydrophobicContact CG2-CD1 4.05Å; V35-F292 HydrophobicContact CG2-CE1 3.63Å; V35-F292 HydrophobicContact CG2-CE2 4.4Å; V35-F292 HydrophobicContact CG2-CZ 3.82Å; F53-F292 HydrophobicContact CD1-CZ 4.39Å; F53-F292 HydrophobicContact CE1-CZ 4.37Å; F53-F292 HydrophobicContact CZ-CZ 4.5Å; C275-F292 CarbonylContact C-O 3.49Å; C275-F292 WeakPolarHBondContact CA-O 3.3Å; C275-F292 WeakPolarHBondContact CB-O 3.38Å; G276-F292 PolarHBondContact N-O 3.49Å; G276-F292 PolarHBondContact O-N 3.12Å; L278-F292 HydrophobicContact CB-CE2 3.94Å; F290-F292 HydrophobicContact CB-CE2 4.11Å; F292-L297 HydrophobicContact CB-CB 4.45Å; F292-L297 HydrophobicContact CD1-CB 4.45Å; F292-L297 HydrophobicContact CD1-CD1 4.37Å; F292-L297 HydrophobicContact CD2-CD1 3.74Å; F292-L297 HydrophobicContact CE2-CD1 4.01Å; F292-L297 HydrophobicContact CG-CB 4.4Å; F292-L297 HydrophobicContact CG-CD1 3.96Å; F292-L297 HydrophobicContact CZ-CD1 4.44Å; F292-L300 HydrophobicContact CZ-CD2 4Å
293	H	90.1	Very high	89.9	Confident	78 Å²	78	48.9 Å²	48.9	36%	0.361	24%	0.237	S	C	.	.	S	Bend	trans	-87.6	-21.8	-179.4	-59.9	-65.3	0	0	0	113.4	C36 H48	C36-H293 WeakPolarHBondContact CB-NE2 3.36Å; C36-H293 VanDerWaalsContact SG-CD2 3.54Å; C36-H293 PolarHBondContact SG-NE2 3.08Å; H48-H293 AromaticContact ND1-CE1 3.96Å; H48-H293 AromaticContact ND1-NE2 3.81Å
294	N	89.1	Confident	90.1	Very high	119 Å²	119	44.7 Å²	44.7	64%	0.636	22%	0.218	S	C	*	.	S	Bend	trans	-149.5	121.4	-177.3	-55.9	-79.9	0	0	0	110.1	K32 T274	K32-N294 WeakPolarHBondContact CE-O 3.41Å; K32-N294 PolarHBondContact NZ-O 3.37Å; T274-N294 CarbonylContact O-C 3.55Å; T274-N294 VanDerWaalsContact O-C 3.23Å; T274-N294 WeakPolarHBondContact O-CA 3.37Å
295	D	89.4	Confident	90.3	Very high	94 Å²	94	41.4 Å²	41.4	50%	0.503	21%	0.205	S	C	.	.	S	Bend	trans	42.3	179.6	175.3	-63.7	-37.6	0	0	0	118.5	K32 T274 L297	K32-D295 WeakPolarHBondContact CE-O 3.35Å; K32-D295 PolarHBondContact NZ-O 3.33Å; T274-D295 WeakPolarHBondContact CB-OD1 3.42Å; T274-D295 VanDerWaalsContact CG2-OD1 3.29Å; T274-D295 WeakPolarHBondContact CG2-OD1 3.32Å; T274-D295 WeakPolarHBondContact O-CA 3.24Å; T274-D295 PolarHBondContact O-N 3.25Å; D295-L297 PolarHBondContact O-N 3.19Å; D295-L297 VanDerWaalsContact O-N 3.14Å
296	G	89.3	Confident	90.5	Very high	12 Å²	12	41.7 Å²	41.7	12%	0.124	21%	0.211	C	C	.	.			trans	82.4	-12.7	165.3	0	0	0	0	0	115.3	Y30 D298 K299 L300	Y30-G296 WeakPolarHBondContact CE2-O 3.14Å; Y30-G296 PolarHBondContact OH-O 3.02Å; G296-D298 VanDerWaalsContact C-N 3.28Å; G296-D298 VanDerWaalsContact C-OD1 3.28Å; G296-D298 WeakPolarHBondContact CA-OD1 3.28Å; G296-D298 PolarHBondContact N-OD1 2.83Å; G296-D298 VanDerWaalsContact N-OD1 3.13Å; G296-K299 PolarHBondContact O-N 2.72Å; G296-L300 PolarHBondContact O-N 2.82Å; G296-L300 VanDerWaalsContact O-N 3.12Å
297	L	90.6	Very high	90.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.1	-33.1	172.2	-167.5	68.3	0	0	0	111.1	L266 F268 F292 D295 L300 A301	L266-L297 HydrophobicContact CD2-CD1 3.73Å; L266-L297 HydrophobicContact CD2-CG 4.09Å; L266-L297 HydrophobicContact CG-CD1 4.43Å; F268-L297 HydrophobicContact CD1-CD2 3.85Å; F268-L297 HydrophobicContact CD1-CG 4.44Å; F268-L297 HydrophobicContact CD2-CD2 4.45Å; F268-L297 HydrophobicContact CE1-CB 3.88Å; F268-L297 HydrophobicContact CE1-CD2 3.79Å; F268-L297 HydrophobicContact CE1-CG 3.87Å; F268-L297 HydrophobicContact CE2-CD2 4.37Å; F268-L297 HydrophobicContact CE2-CG 4.44Å; F268-L297 HydrophobicContact CG-CD2 4.2Å; F268-L297 HydrophobicContact CZ-CB 4.21Å; F268-L297 HydrophobicContact CZ-CD2 4.06Å; F268-L297 HydrophobicContact CZ-CG 3.86Å; F292-L297 HydrophobicContact CB-CB 4.45Å; F292-L297 HydrophobicContact CD1-CB 4.45Å; F292-L297 HydrophobicContact CD1-CD1 4.37Å; F292-L297 HydrophobicContact CD2-CD1 3.74Å; F292-L297 HydrophobicContact CE2-CD1 4.01Å; F292-L297 HydrophobicContact CG-CB 4.4Å; F292-L297 HydrophobicContact CG-CD1 3.96Å; F292-L297 HydrophobicContact CZ-CD1 4.44Å; D295-L297 PolarHBondContact O-N 3.19Å; D295-L297 VanDerWaalsContact O-N 3.14Å; L297-L300 HydrophobicContact CD1-CD2 4.38Å; L297-L300 WeakPolarHBondContact O-CB 3.27Å; L297-L300 PolarHBondContact O-N 3.01Å; L297-A301 WeakPolarHBondContact O-CB 3.39Å; L297-A301 PolarHBondContact O-N 3.45Å
298	D	90.6	Very high	90.3	Very high	69 Å²	69	40.9 Å²	40.9	37%	0.369	21%	0.208	S	C	.	.	H	α-helix	trans	-59.2	-48.6	172	67	-44.7	0	0	0	112.6	F268 G296 L300 A301 N302	F268-D298 HydrophobicContact CE1-CB 4.49Å; G296-D298 VanDerWaalsContact C-N 3.28Å; G296-D298 VanDerWaalsContact C-OD1 3.28Å; G296-D298 WeakPolarHBondContact CA-OD1 3.28Å; G296-D298 PolarHBondContact N-OD1 2.83Å; G296-D298 VanDerWaalsContact N-OD1 3.13Å; D298-L300 VanDerWaalsContact C-N 3.3Å; D298-L300 PolarHBondContact O-N 3.09Å; D298-A301 WeakPolarHBondContact O-CB 3.23Å; D298-A301 PolarHBondContact O-N 3.16Å; D298-N302 PolarHBondContact O-N 2.76Å; D298-N302 PolarHBondContact O-ND2 3.24Å
299	K	90.9	Very high	90	Very high	109 Å²	109	42.9 Å²	42.9	47%	0.474	22%	0.223	S	C	.	.	H	α-helix	trans	-64.1	-39.7	176.3	-176.7	175.4	-178.2	178.9	0	110.6	Y30 G296 N302 I303	Y30-K299 HydrophobicContact CD2-CD 4.11Å; Y30-K299 HydrophobicContact CD2-CG 4.13Å; Y30-K299 HydrophobicContact CE2-CB 4.13Å; Y30-K299 HydrophobicContact CE2-CD 4.21Å; Y30-K299 HydrophobicContact CE2-CG 4.2Å; G296-K299 PolarHBondContact O-N 2.72Å; K299-N302 PolarHBondContact O-N 2.63Å; K299-I303 HydrophobicContact CG-CD1 4.16Å; K299-I303 VanDerWaalsContact O-CG1 3.31Å; K299-I303 WeakPolarHBondContact O-CG1 3.17Å; K299-I303 PolarHBondContact O-N 3.27Å
300	L	92.1	Very high	89.5	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.1	-43.7	176.1	-162.7	75.6	0	0	0	111.8	Y30 F53 V55 L266 L278 F292 G296 L297 D298 N302 I303 F304	Y30-L300 HydrophobicContact CD1-CD1 3.75Å; Y30-L300 HydrophobicContact CD2-CD1 4.22Å; Y30-L300 HydrophobicContact CE1-CD1 3.92Å; Y30-L300 HydrophobicContact CE2-CB 4.32Å; Y30-L300 HydrophobicContact CE2-CD1 4.36Å; Y30-L300 HydrophobicContact CG-CD1 3.9Å; F53-L300 HydrophobicContact CE1-CD1 3.87Å; F53-L300 HydrophobicContact CE1-CD2 4.23Å; F53-L300 HydrophobicContact CZ-CD1 4.5Å; F53-L300 HydrophobicContact CZ-CD2 4.27Å; V55-L300 HydrophobicContact CG2-CD1 3.81Å; L266-L300 HydrophobicContact CD2-CB 4.26Å; L266-L300 HydrophobicContact CD2-CD2 4.11Å; L266-L300 HydrophobicContact CD2-CG 4.36Å; L278-L300 HydrophobicContact CD2-CD2 3.89Å; F292-L300 HydrophobicContact CZ-CD2 4Å; G296-L300 PolarHBondContact O-N 2.82Å; G296-L300 VanDerWaalsContact O-N 3.12Å; L297-L300 HydrophobicContact CD1-CD2 4.38Å; L297-L300 WeakPolarHBondContact O-CB 3.27Å; L297-L300 PolarHBondContact O-N 3.01Å; D298-L300 VanDerWaalsContact C-N 3.3Å; D298-L300 PolarHBondContact O-N 3.09Å; L300-N302 VanDerWaalsContact C-N 3.3Å; L300-N302 PolarHBondContact O-N 2.85Å; L300-I303 PolarHBondContact O-N 2.89Å; L300-F304 HydrophobicContact CD1-CE1 4.16Å; L300-F304 HydrophobicContact CD1-CE2 3.94Å; L300-F304 HydrophobicContact CD1-CZ 3.64Å; L300-F304 HydrophobicContact CD2-CD2 4.33Å; L300-F304 HydrophobicContact CD2-CE2 3.49Å; L300-F304 VanDerWaalsContact CD2-CE2 3.49Å; L300-F304 HydrophobicContact CD2-CZ 3.93Å; L300-F304 HydrophobicContact CG-CD2 3.92Å; L300-F304 HydrophobicContact CG-CE1 4.39Å; L300-F304 HydrophobicContact CG-CE2 3.38Å; L300-F304 HydrophobicContact CG-CZ 3.66Å; L300-F304 WeakPolarHBondContact O-CG 3.43Å; L300-F304 PolarHBondContact O-N 3.06Å
301	A	91.6	Very high	88.8	Confident	4 Å²	4	48.7 Å²	48.7	3%	0.033	25%	0.249	C	C	.	.	H	α-helix	trans	-57.5	-43.9	174.6	0	0	0	0	0	111.5	L266 F268 L297 D298 F304 N305 V330	L266-A301 HydrophobicContact CD2-CB 3.95Å; F268-A301 HydrophobicContact CE2-CB 4.38Å; F268-A301 HydrophobicContact CZ-CB 4.21Å; L297-A301 WeakPolarHBondContact O-CB 3.39Å; L297-A301 PolarHBondContact O-N 3.45Å; D298-A301 WeakPolarHBondContact O-CB 3.23Å; D298-A301 PolarHBondContact O-N 3.16Å; A301-F304 PolarHBondContact O-N 2.78Å; A301-N305 VanDerWaalsContact O-CB 3.23Å; A301-N305 WeakPolarHBondContact O-CB 3.19Å; A301-N305 PolarHBondContact O-N 3.24Å; A301-V330 HydrophobicContact CB-CG2 4.32Å
302	N	91.2	Very high	87.9	Confident	92 Å²	92	51.3 Å²	51.3	49%	0.492	27%	0.268	S	S	.	.	H	α-helix	trans	-62.7	-45.1	177	-72.5	-23.9	0	0	0	112.1	D298 K299 L300 N305 Q306	D298-N302 PolarHBondContact O-N 2.76Å; D298-N302 PolarHBondContact O-ND2 3.24Å; K299-N302 PolarHBondContact O-N 2.63Å; L300-N302 VanDerWaalsContact C-N 3.3Å; L300-N302 PolarHBondContact O-N 2.85Å; N302-N305 PolarHBondContact O-N 3.3Å; N302-Q306 VanDerWaalsContact O-CG 3.3Å; N302-Q306 WeakPolarHBondContact O-CG 3.42Å; N302-Q306 PolarHBondContact O-N 2.93Å
303	I	91.2	Very high	86.9	Confident	15 Å²	15	57.6 Å²	57.6	8%	0.077	30%	0.296	C	S	.	.	H	α-helix	trans	-60.5	-49.4	177.6	-69.4	163.4	0	0	0	110.7	I29 Y30 L67 K299 L300 N305 Q306 W307	I29-I303 HydrophobicContact CG2-CD1 3.88Å; I29-I303 HydrophobicContact CG2-CG1 4.14Å; I29-I303 HydrophobicContact CG2-CG2 4.16Å; Y30-I303 HydrophobicContact CD2-CD1 3.91Å; Y30-I303 HydrophobicContact CG-CD1 4.26Å; L67-I303 HydrophobicContact CD1-CG2 4.1Å; K299-I303 HydrophobicContact CG-CD1 4.16Å; K299-I303 VanDerWaalsContact O-CG1 3.31Å; K299-I303 WeakPolarHBondContact O-CG1 3.17Å; K299-I303 PolarHBondContact O-N 3.27Å; L300-I303 PolarHBondContact O-N 2.89Å; I303-N305 PolarHBondContact O-N 3.49Å; I303-Q306 PolarHBondContact O-N 2.84Å; I303-W307 WeakPolarHBondContact O-CB 3.47Å; I303-W307 PolarHBondContact O-N 3.42Å
304	F	91.5	Very high	85.6	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-67.8	-35.3	-179.3	-64.6	-24.7	0	0	0	112.8	V55 L67 L258 L264 L266 L278 L300 A301 W307 N308 F328	V55-F304 HydrophobicContact CG1-CE1 4.27Å; V55-F304 HydrophobicContact CG2-CE1 4.25Å; V55-F304 HydrophobicContact CG2-CZ 4.28Å; L67-F304 HydrophobicContact CD1-CD1 3.79Å; L67-F304 HydrophobicContact CD1-CE1 4.02Å; L258-F304 HydrophobicContact CD1-CD1 3.87Å; L258-F304 HydrophobicContact CD1-CE1 3.32Å; L258-F304 HydrophobicContact CD1-CZ 3.83Å; L264-F304 HydrophobicContact CD1-CD2 4.27Å; L264-F304 HydrophobicContact CD1-CE2 3.92Å; L264-F304 HydrophobicContact CD1-CZ 4.38Å; L264-F304 HydrophobicContact CD2-CB 4.13Å; L264-F304 HydrophobicContact CD2-CD1 4.23Å; L264-F304 HydrophobicContact CD2-CD2 3.82Å; L264-F304 HydrophobicContact CD2-CE2 4.19Å; L264-F304 HydrophobicContact CD2-CG 3.82Å; L264-F304 HydrophobicContact CG-CD2 4.21Å; L264-F304 HydrophobicContact CG-CE2 4.37Å; L266-F304 HydrophobicContact CD1-CD2 3.78Å; L266-F304 HydrophobicContact CD1-CE2 4.45Å; L266-F304 HydrophobicContact CD2-CD2 4.29Å; L278-F304 HydrophobicContact CD1-CE2 4.05Å; L278-F304 HydrophobicContact CD2-CE2 4.28Å; L300-F304 HydrophobicContact CD1-CE1 4.16Å; L300-F304 HydrophobicContact CD1-CE2 3.94Å; L300-F304 HydrophobicContact CD1-CZ 3.64Å; L300-F304 HydrophobicContact CD2-CD2 4.33Å; L300-F304 HydrophobicContact CD2-CE2 3.49Å; L300-F304 VanDerWaalsContact CD2-CE2 3.49Å; L300-F304 HydrophobicContact CD2-CZ 3.93Å; L300-F304 HydrophobicContact CG-CD2 3.92Å; L300-F304 HydrophobicContact CG-CE1 4.39Å; L300-F304 HydrophobicContact CG-CE2 3.38Å; L300-F304 HydrophobicContact CG-CZ 3.66Å; L300-F304 WeakPolarHBondContact O-CG 3.43Å; L300-F304 PolarHBondContact O-N 3.06Å; A301-F304 PolarHBondContact O-N 2.78Å; F304-W307 PolarHBondContact O-N 3.47Å; F304-N308 VanDerWaalsContact O-CB 3.29Å; F304-N308 WeakPolarHBondContact O-CB 3.5Å; F304-N308 PolarHBondContact O-N 3.36Å; F304-F328 HydrophobicContact CB-CD2 4.22Å; F304-F328 HydrophobicContact CB-CE2 3.38Å; F304-F328 HydrophobicContact CB-CZ 3.63Å; F304-F328 HydrophobicContact CD2-CE2 4.29Å; F304-F328 HydrophobicContact CG-CE2 4.31Å
305	N	89.4	Confident	84.1	Confident	81 Å²	81	56 Å²	56	43%	0.433	30%	0.302	S	S	.	.	H	α-helix	trans	-64	-45.4	174.2	-172.3	54.5	0	0	0	111.7	A301 N302 I303 W307 N308 V309 F328	A301-N305 VanDerWaalsContact O-CB 3.23Å; A301-N305 WeakPolarHBondContact O-CB 3.19Å; A301-N305 PolarHBondContact O-N 3.24Å; N302-N305 PolarHBondContact O-N 3.3Å; I303-N305 PolarHBondContact O-N 3.49Å; N305-W307 VanDerWaalsContact C-N 3.32Å; N305-W307 PolarHBondContact O-N 3.44Å; N305-N308 PolarHBondContact O-N 3.49Å; N305-V309 VanDerWaalsContact O-CG2 3.31Å; N305-V309 WeakPolarHBondContact O-CG2 3.49Å; N305-V309 PolarHBondContact O-N 3.42Å; N305-F328 HydrophobicContact CB-CE1 4.01Å; N305-F328 HydrophobicContact CB-CZ 4.29Å
306	Q	87	Confident	82.3	Confident	103 Å²	103	60.4 Å²	60.4	48%	0.481	32%	0.317	S	S	.	.	H	α-helix	trans	-60	-43.1	175	-71.4	175.6	16.2	0	0	111.7	N302 I303 V309 L310	N302-Q306 VanDerWaalsContact O-CG 3.3Å; N302-Q306 WeakPolarHBondContact O-CG 3.42Å; N302-Q306 PolarHBondContact O-N 2.93Å; I303-Q306 PolarHBondContact O-N 2.84Å; Q306-V309 PolarHBondContact O-N 2.92Å; Q306-L310 WeakPolarHBondContact O-CG 3.47Å; Q306-L310 PolarHBondContact O-N 2.92Å
307	W	87.3	Confident	80.2	Confident	5 Å²	5	64.8 Å²	64.8	2%	0.019	35%	0.345	C	S	.	.	H	α-helix	trans	-62.5	-45	175	179.6	66	0	0	0	113.3	I22 S65 L67 L258 L264 I303 F304 N305 V309 L310 R311 L326	I22-W307 VanDerWaalsContact CD1-CA 3.41Å; I22-W307 HydrophobicContact CD1-CB 3.74Å; I22-W307 HydrophobicContact CD1-CG 4.21Å; S65-W307 PolarHBondContact O-NE1 3.29Å; L67-W307 HydrophobicContact CD1-CB 3.71Å; L67-W307 HydrophobicContact CD1-CD2 3.88Å; L67-W307 HydrophobicContact CD1-CE3 4.26Å; L67-W307 HydrophobicContact CD1-CG 3.61Å; L67-W307 HydrophobicContact CG-CB 4.39Å; L67-W307 HydrophobicContact CG-CD2 4.1Å; L67-W307 HydrophobicContact CG-CG 3.86Å; L258-W307 HydrophobicContact CB-CH2 3.58Å; L258-W307 HydrophobicContact CB-CZ2 4.2Å; L258-W307 HydrophobicContact CB-CZ3 3.84Å; L258-W307 HydrophobicContact CD1-CZ3 4.45Å; L264-W307 HydrophobicContact CD2-CZ3 4.28Å; I303-W307 WeakPolarHBondContact O-CB 3.47Å; I303-W307 PolarHBondContact O-N 3.42Å; F304-W307 PolarHBondContact O-N 3.47Å; N305-W307 VanDerWaalsContact C-N 3.32Å; N305-W307 PolarHBondContact O-N 3.44Å; W307-V309 PolarHBondContact O-N 2.86Å; W307-L310 PolarHBondContact O-N 3.06Å; W307-R311 WeakPolarHBondContact O-CB 3.43Å; W307-R311 PolarHBondContact O-N 2.93Å; W307-L326 HydrophobicContact CH2-CD2 3.63Å; W307-L326 HydrophobicContact CZ3-CD2 3.37Å
308	N	85.4	Confident	77.8	Confident	33 Å²	33	70.6 Å²	70.6	18%	0.176	38%	0.381	C	S	.	.	H	α-helix	trans	-63.4	-40.9	178.8	-168.9	47.6	0	0	0	112.1	F304 N305 S312 F328	F304-N308 VanDerWaalsContact O-CB 3.29Å; F304-N308 WeakPolarHBondContact O-CB 3.5Å; F304-N308 PolarHBondContact O-N 3.36Å; N305-N308 PolarHBondContact O-N 3.49Å; N308-S312 WeakPolarHBondContact O-CB 3.39Å; N308-S312 PolarHBondContact O-N 3.39Å; N308-S312 PolarHBondContact O-OG 3.34Å; N308-F328 HydrophobicContact CB-CB 4.5Å; N308-F328 HydrophobicContact CB-CD1 3.86Å; N308-F328 HydrophobicContact CB-CE1 4.43Å; N308-F328 HydrophobicContact CB-CG 4.31Å
309	V	83.7	Confident	75.2	Confident	64 Å²	64	76.1 Å²	76.1	39%	0.388	40%	0.404	S	S	.	.	H	α-helix	trans	-63	-42.8	174.7	171.6	0	0	0	0	111.4	N305 Q306 W307 S312 K313	N305-V309 VanDerWaalsContact O-CG2 3.31Å; N305-V309 WeakPolarHBondContact O-CG2 3.49Å; N305-V309 PolarHBondContact O-N 3.42Å; Q306-V309 PolarHBondContact O-N 2.92Å; W307-V309 PolarHBondContact O-N 2.86Å; V309-S312 PolarHBondContact O-N 3.15Å; V309-K313 WeakPolarHBondContact O-CG 3.46Å; V309-K313 PolarHBondContact O-N 2.85Å
310	L	80.2	Confident	72.3	Confident	78 Å²	78	81.9 Å²	81.9	41%	0.408	42%	0.423	S	S	.	.	H	α-helix	trans	-68.2	-41.9	179.4	-77.8	170.2	0	0	0	112.3	I22 Q306 W307 S312 K313 G314	I22-L310 HydrophobicContact CD1-CB 4.28Å; I22-L310 HydrophobicContact CD1-CD1 3.3Å; I22-L310 HydrophobicContact CD1-CG 4.33Å; I22-L310 HydrophobicContact CG1-CD1 3.61Å; Q306-L310 WeakPolarHBondContact O-CG 3.47Å; Q306-L310 PolarHBondContact O-N 2.92Å; W307-L310 PolarHBondContact O-N 3.06Å; L310-S312 VanDerWaalsContact C-N 3.35Å; L310-S312 PolarHBondContact O-N 2.89Å; L310-K313 PolarHBondContact O-N 2.91Å; L310-G314 PolarHBondContact O-N 3.38Å
311	R	77.6	Confident	69.7	Low	57 Å²	57	85.9 Å²	85.9	22%	0.215	46%	0.456	C	S	.	.	H	α-helix	trans	-60.4	-43.3	173.7	-176.3	-178.8	173.2	-177.4	-2	111.8	W307 K313 G314 N315 G324 L326	W307-R311 WeakPolarHBondContact O-CB 3.43Å; W307-R311 PolarHBondContact O-N 2.93Å; R311-K313 VanDerWaalsContact C-N 3.31Å; R311-K313 PolarHBondContact O-N 3.02Å; R311-G314 PolarHBondContact O-N 2.83Å; R311-N315 PolarHBondContact O-N 2.7Å; R311-G324 PolarHBondContact NH2-O 2.96Å; R311-L326 VanDerWaalsContact NH1-CD2 3.33Å
312	S	74.8	Confident	67.4	Low	62 Å²	62	94.1 Å²	94.1	43%	0.434	49%	0.494	S	S	.	.	H	α-helix	trans	-66.4	-29.8	-179.4	-60.3	0	0	0	0	113.3	N308 V309 L310	N308-S312 WeakPolarHBondContact O-CB 3.39Å; N308-S312 PolarHBondContact O-N 3.39Å; N308-S312 PolarHBondContact O-OG 3.34Å; V309-S312 PolarHBondContact O-N 3.15Å; L310-S312 VanDerWaalsContact C-N 3.35Å; L310-S312 PolarHBondContact O-N 2.89Å
313	K	71.1	Confident	65.3	Low	135 Å²	135	97.2 Å²	97.2	59%	0.587	51%	0.51	S	S	*	.	H	α-helix	trans	-73	-33	173.9	-73.4	178.1	-179.3	178.9	0	112.6	V309 L310 R311	V309-K313 WeakPolarHBondContact O-CG 3.46Å; V309-K313 PolarHBondContact O-N 2.85Å; L310-K313 PolarHBondContact O-N 2.91Å; R311-K313 VanDerWaalsContact C-N 3.31Å; R311-K313 PolarHBondContact O-N 3.02Å
314	G	62.7	Low	63.8	Low	51 Å²	51	97.9 Å²	97.9	53%	0.526	52%	0.521	S	S	.	.	H	α-helix	trans	-72.6	-28.4	179.7	0	0	0	0	0	114.6	L310 R311 K316	L310-G314 PolarHBondContact O-N 3.38Å; R311-G314 PolarHBondContact O-N 2.83Å; G314-K316 PolarHBondContact O-N 3.45Å
315	N	58.4	Low	62.7	Low	111 Å²	111	105.2 Å²	105.2	59%	0.594	55%	0.55	S	S	*	.	G	3₁₀ helix	trans	-86.7	6.1	-174.5	-81.5	6.8	0	0	0	115.5	R311 S317	R311-N315 PolarHBondContact O-N 2.7Å; N315-S317 PolarHBondContact O-N 3.2Å
316	K	51.2	Low	62.3	Low	188 Å²	188	101.6 Å²	101.6	82%	0.817	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-69.7	-1.6	-177.4	-72.2	-169.1	174.6	-171.7	0	114.9	G314	G314-K316 PolarHBondContact O-N 3.45Å
317	S	45.7	Very low	62.1	Low	104 Å²	104	98.7 Å²	98.7	73%	0.727	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-122	18.5	-171.8	53.6	0	0	0	0	115.8	N315	N315-S317 PolarHBondContact O-N 3.2Å
318	T	40.3	Very low	62.1	Low	122 Å²	122	100 Å²	100	75%	0.748	52%	0.523	S	S	*	.	S	Bend	trans	-143.9	124.5	175.9	-41.5	0	0	0	0	112.2
319	E	35.7	Very low	62.2	Low	184 Å²	184	99 Å²	99	86%	0.86	52%	0.518	S	S	*	.			trans	-57.3	138.6	178.4	-64.4	175.6	142.4	0	0	112.2
320	R	30.3	Very low	62.5	Low	231 Å²	231	98.7 Å²	98.7	87%	0.872	52%	0.516	S	S	*	.			trans	48.7	84.7	157.9	-68.2	179.9	176.4	163.7	-1.1	117.1
321	A	36.5	Very low	62.9	Low	83 Å²	83	95.8 Å²	95.8	69%	0.686	50%	0.501	S	S	*	.			trans	-101.1	78	156.1	0	0	0	0	0	110.1	N323	A321-N323 PolarHBondContact O-N 3.21Å
322	E	44.6	Very low	63.4	Low	178 Å²	178	98.6 Å²	98.6	83%	0.832	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-7.5	168.4	-78.8	-178.5	159.9	0	0	112.7
323	N	46.6	Very low	64	Low	157 Å²	157	96.9 Å²	96.9	84%	0.84	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.3	27.5	-171.5	-78.7	-17	0	0	0	115.8	A321	A321-N323 PolarHBondContact O-N 3.21Å
324	G	59.3	Low	64.7	Low	29 Å²	29	98.2 Å²	98.2	30%	0.299	51%	0.507	S	S	.	.			trans	-165.3	29.7	-176.2	0	0	0	0	0	118.4	R311	R311-G324 PolarHBondContact NH2-O 2.96Å
325	Y	68.7	Low	66.2	Low	154 Å²	154	98 Å²	98	60%	0.604	49%	0.494	S	S	*	.			trans	-82.3	122.3	179.9	-167.3	-97.9	0	0	0	111.5	H327	Y325-H327 AromaticContact CD1-CE1 3.78Å; Y325-H327 AromaticContact CD1-ND1 4Å; Y325-H327 AromaticContact CD1-NE2 3.77Å; Y325-H327 AromaticContact CE1-CE1 4Å; Y325-H327 AromaticContact CE1-ND1 3.91Å
326	L	80.5	Confident	67.8	Low	4 Å²	4	99.2 Å²	99.2	2%	0.021	50%	0.496	C	S	.	.			trans	-83.6	119.3	170.1	174.8	71.5	0	0	0	109.6	L261 K262 L264 W307 R311 F328	L261-L326 HydrophobicContact CB-CD1 3.82Å; L261-L326 VanDerWaalsContact O-CD1 3.22Å; L261-L326 WeakPolarHBondContact O-CD1 3.1Å; K262-L326 WeakPolarHBondContact O-CA 3.17Å; L264-L326 HydrophobicContact CB-CD1 3.93Å; L264-L326 HydrophobicContact CB-CD2 4.45Å; W307-L326 HydrophobicContact CH2-CD2 3.63Å; W307-L326 HydrophobicContact CZ3-CD2 3.37Å; R311-L326 VanDerWaalsContact NH1-CD2 3.33Å; L326-F328 PolarHBondContact O-N 2.93Å
327	H	83.3	Confident	69.8	Low	42 Å²	42	99.4 Å²	99.4	19%	0.194	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	102.7	166.5	-68.5	-84.6	0	0	0	109.7	K262 L264 Y325 R611 E612	K262-H327 PolarHBondContact O-N 3.33Å; L264-H327 PolarHBondContact N-O 3.42Å; Y325-H327 AromaticContact CD1-CE1 3.78Å; Y325-H327 AromaticContact CD1-ND1 4Å; Y325-H327 AromaticContact CD1-NE2 3.77Å; Y325-H327 AromaticContact CE1-CE1 4Å; Y325-H327 AromaticContact CE1-ND1 3.91Å; H327-R611 PolarHBondContact CE1-O 2.87Å; H327-R611 VanDerWaalsContact CE1-O 3.27Å; H327-R611 PolarHBondContact ND1-O 3.07Å; H327-E612 HydrophobicContact CB-CG 4.09Å
328	F	87.4	Confident	72.1	Confident	33 Å²	33	102 Å²	102	15%	0.145	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	123.4	168.4	176	-115.7	0	0	0	110.3	L264 L266 F304 N305 N308 L326 V330	L264-F328 HydrophobicContact CB-CD2 4.28Å; L264-F328 HydrophobicContact CD2-CD2 3.81Å; L264-F328 HydrophobicContact CD2-CE2 4.23Å; L264-F328 HydrophobicContact CG-CD2 3.97Å; L264-F328 HydrophobicContact CG-CE2 4.43Å; L264-F328 WeakPolarHBondContact O-CA 3.48Å; L264-F328 WeakPolarHBondContact O-CD2 3.43Å; L266-F328 HydrophobicContact CD1-CD2 4.39Å; L266-F328 HydrophobicContact CD1-CE2 3.5Å; L266-F328 VanDerWaalsContact CD1-CE2 3.5Å; L266-F328 HydrophobicContact CD1-CZ 4.22Å; F304-F328 HydrophobicContact CB-CD2 4.22Å; F304-F328 HydrophobicContact CB-CE2 3.38Å; F304-F328 HydrophobicContact CB-CZ 3.63Å; F304-F328 HydrophobicContact CD2-CE2 4.29Å; F304-F328 HydrophobicContact CG-CE2 4.31Å; N305-F328 HydrophobicContact CB-CE1 4.01Å; N305-F328 HydrophobicContact CB-CZ 4.29Å; N308-F328 HydrophobicContact CB-CB 4.5Å; N308-F328 HydrophobicContact CB-CD1 3.86Å; N308-F328 HydrophobicContact CB-CE1 4.43Å; N308-F328 HydrophobicContact CB-CG 4.31Å; L326-F328 PolarHBondContact O-N 2.93Å; F328-V330 HydrophobicContact CE1-CG2 4.22Å; F328-V330 HydrophobicContact CE2-CG2 4.21Å; F328-V330 HydrophobicContact CZ-CG2 3.67Å
329	S	88	Confident	74.7	Confident	12 Å²	12	98.5 Å²	98.5	8%	0.084	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	144.3	178.4	56.6	0	0	0	0	111.7	L264 R265 L266 E612	L264-S329 PolarHBondContact O-N 2.89Å; L264-S329 VanDerWaalsContact O-N 3.08Å; R265-S329 WeakPolarHBondContact CA-O 3.22Å; R265-S329 WeakPolarHBondContact CG-OG 3.5Å; L266-S329 PolarHBondContact N-O 3.06Å; S329-E612 PolarHBondContact OG-OE1 3.22Å
330	V	89.4	Confident	77.5	Confident	57 Å²	57	92.3 Å²	92.3	35%	0.345	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	109.8	172.3	177.3	0	0	0	0	106.9	L266 F268 A301 F328 R332	L266-V330 HydrophobicContact CB-CG2 4.39Å; L266-V330 HydrophobicContact CD1-CG2 4.1Å; L266-V330 CarbonylContact O-C 3.23Å; L266-V330 WeakPolarHBondContact O-CA 3.47Å; F268-V330 HydrophobicContact CD2-CG1 4Å; F268-V330 HydrophobicContact CE2-CG1 3.61Å; A301-V330 HydrophobicContact CB-CG2 4.32Å; F328-V330 HydrophobicContact CE1-CG2 4.22Å; F328-V330 HydrophobicContact CE2-CG2 4.21Å; F328-V330 HydrophobicContact CZ-CG2 3.67Å; V330-R332 HydrophobicContact CG1-CG 4.23Å
331	L	88.7	Confident	80.6	Confident	17 Å²	17	82.2 Å²	82.2	9%	0.089	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	114.9	175.6	-75.4	101.6	0	0	0	110.1	R265 L266 F267 F268 Y605 S608	R265-L331 VanDerWaalsContact CD-CD1 3.44Å; R265-L331 HydrophobicContact CG-CD1 3.41Å; R265-L331 VanDerWaalsContact CG-CD1 3.41Å; L266-L331 PolarHBondContact O-N 3.22Å; F267-L331 HydrophobicContact CD2-CB 3.84Å; F267-L331 HydrophobicContact CD2-CD2 4.4Å; F267-L331 HydrophobicContact CE2-CB 4.47Å; F268-L331 PolarHBondContact N-O 2.8Å; L331-Y605 HydrophobicContact CD2-CD1 4.27Å; L331-S608 WeakPolarHBondContact CD2-OG 3.31Å
332	R	89.2	Confident	83.4	Confident	116 Å²	116	82 Å²	82	44%	0.438	40%	0.401	S	S	.	.			trans	-129.9	92.1	166.9	-69.5	179.2	-176.7	158.6	-0.6	106.7	F268 V330 Q334	F268-R332 HydrophobicContact CB-CG 4.09Å; F268-R332 HydrophobicContact CD2-CG 3.47Å; F268-R332 VanDerWaalsContact CD2-CG 3.47Å; F268-R332 HydrophobicContact CE2-CG 4.2Å; F268-R332 VanDerWaalsContact CE2-NE 3.26Å; F268-R332 HydrophobicContact CG-CG 3.94Å; V330-R332 HydrophobicContact CG1-CG 4.23Å; R332-Q334 PolarHBondContact O-N 3.25Å
333	P	86.4	Confident	85.7	Confident	27 Å²	27	75.7 Å²	75.7	18%	0.175	37%	0.372	C	S	.	.			trans	-52.8	126.7	178.2	-28.2	37.1	0	0	0	110.8	I604 Y605 I634	P333-I604 HydrophobicContact CB-CG2 3.71Å; P333-I604 HydrophobicContact CG-CG2 3.97Å; P333-Y605 HydrophobicContact CB-CE1 4.48Å; P333-Y605 HydrophobicContact CG-CD1 4.4Å; P333-Y605 HydrophobicContact CG-CE1 3.46Å; P333-Y605 VanDerWaalsContact CG-CE1 3.46Å; P333-I634 HydrophobicContact CB-CD1 3.92Å; P333-I634 HydrophobicContact CB-CG2 4.06Å; P333-I634 WeakPolarHBondContact O-CD1 3.49Å
334	Q	87	Confident	88	Confident	162 Å²	162	70.2 Å²	70.2	76%	0.757	34%	0.341	S	S	*	.			trans	-145.2	139.8	175.9	-68.9	-176.5	-8.9	0	0	107.8	R332	R332-Q334 PolarHBondContact O-N 3.25Å
335	L	92.2	Very high	89.7	Confident	46 Å²	46	72.1 Å²	72.1	24%	0.241	36%	0.361	C	S	.	.			trans	-103.1	137.9	179.7	-56.8	-178.6	0	0	0	110.4	L340 I634 T637 K638	L335-L340 HydrophobicContact CB-CD1 3.8Å; L335-L340 HydrophobicContact CD1-CD1 4.43Å; L335-I634 HydrophobicContact CD1-CG2 4.21Å; L335-I634 HydrophobicContact CD2-CG2 4.08Å; L335-I634 HydrophobicContact CG-CG2 3.98Å; L335-T637 HydrophobicContact CD1-CG2 3.55Å; L335-K638 HydrophobicContact CD1-CB 4.04Å; L335-K638 HydrophobicContact CD2-CB 4.02Å; L335-K638 HydrophobicContact CD2-CD 3.99Å; L335-K638 HydrophobicContact CD2-CG 4.36Å
336	Q	93.6	Very high	90.9	Very high	138 Å²	138	70.8 Å²	70.8	65%	0.645	36%	0.364	S	S	*	.			trans	-81.1	151.1	169.9	-56.5	-179.7	15.8	0	0	110	M338 E339 L340	Q336-M338 PolarHBondContact O-N 3.24Å; Q336-E339 HydrophobicContact CB-CG 4.21Å; Q336-E339 WeakPolarHBondContact CB-OE2 3.31Å; Q336-E339 WeakPolarHBondContact CG-OE2 3.46Å; Q336-E339 PolarHBondContact N-OE2 3Å; Q336-E339 WeakPolarHBondContact O-CB 3.36Å; Q336-E339 PolarHBondContact O-N 3.2Å; Q336-L340 WeakPolarHBondContact O-CD1 3.34Å
337	K	92.8	Very high	91.6	Very high	191 Å²	191	73.3 Å²	73.3	83%	0.83	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-52.7	-32.8	-179.4	-171.7	175.7	-179.6	178.6	0	113.9	E339 L340	K337-E339 PolarHBondContact O-N 2.71Å; K337-L340 PolarHBondContact O-N 3.39Å
338	M	94	Very high	92.1	Very high	160 Å²	160	79.4 Å²	79.4	79%	0.788	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-74.8	-13.3	179.9	-50.1	-140.3	102.3	0	0	113.4	Q336 H645	Q336-M338 PolarHBondContact O-N 3.24Å; M338-H645 PolarHBondContact O-CE1 3.24Å; M338-H645 PolarHBondContact O-NE2 2.64Å
339	E	94.6	Very high	92.5	Very high	47 Å²	47	82.2 Å²	82.2	22%	0.22	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-89.4	-5	177.3	-57.4	179.1	89.4	0	0	112.7	Q336 K337 K638 G641	Q336-E339 HydrophobicContact CB-CG 4.21Å; Q336-E339 WeakPolarHBondContact CB-OE2 3.31Å; Q336-E339 WeakPolarHBondContact CG-OE2 3.46Å; Q336-E339 PolarHBondContact N-OE2 3Å; Q336-E339 WeakPolarHBondContact O-CB 3.36Å; Q336-E339 PolarHBondContact O-N 3.2Å; K337-E339 PolarHBondContact O-N 2.71Å; E339-K638 HydrophobicContact CB-CD 4.47Å; E339-K638 IonicContact OE1-NZ 2.67Å; E339-K638 PolarHBondContact OE1-NZ 3.21Å; E339-G641 WeakPolarHBondContact O-CA 3.37Å
340	L	95.6	Very high	92.9	Very high	54 Å²	54	81.7 Å²	81.7	28%	0.283	41%	0.41	S	S	.	.	S	Bend	trans	-91.2	151.2	-178.3	-82.3	64.9	0	0	0	111.1	L335 Q336 K337 E344 T637	L335-L340 HydrophobicContact CB-CD1 3.8Å; L335-L340 HydrophobicContact CD1-CD1 4.43Å; Q336-L340 WeakPolarHBondContact O-CD1 3.34Å; K337-L340 PolarHBondContact O-N 3.39Å; L340-E344 HydrophobicContact CB-CB 4.27Å; L340-E344 HydrophobicContact CD2-CB 4.23Å; L340-E344 HydrophobicContact CD2-CG 4.02Å; L340-E344 HydrophobicContact CG-CB 4.44Å; L340-E344 HydrophobicContact CG-CG 4.25Å; L340-T637 HydrophobicContact CD1-CG2 4.24Å; L340-T637 HydrophobicContact CD2-CG2 4.4Å; L340-T637 HydrophobicContact CG-CG2 3.72Å
341	H	95.3	Very high	93.3	Very high	19 Å²	19	81.7 Å²	81.7	9%	0.088	41%	0.41	C	S	.	.			trans	-63.3	142.2	162.3	-167.5	-81	0	0	0	109.5	E343 E344 F376 R640 Y644	H341-E343 WeakPolarHBondContact ND1-CB 3.29Å; H341-E343 PolarHBondContact ND1-N 3.28Å; H341-E343 PolarHBondContact O-N 2.89Å; H341-E344 HydrophobicContact CB-CB 4.49Å; H341-E344 WeakPolarHBondContact O-CB 3.44Å; H341-E344 PolarHBondContact O-N 3.5Å; H341-F376 HydrophobicContact CB-CE1 3.91Å; H341-F376 AromaticContact CE1-CZ 3.47Å; H341-F376 VanDerWaalsContact CE1-CZ 3.47Å; H341-F376 WeakPolarHBondContact CE1-CZ 3.02Å; H341-F376 AromaticContact CG-CE1 3.58Å; H341-F376 AromaticContact CG-CZ 3.76Å; H341-F376 AromaticContact ND1-CE1 3.44Å; H341-F376 WeakPolarHBondContact ND1-CE1 3.41Å; H341-F376 AromaticContact ND1-CZ 3.33Å; H341-F376 VanDerWaalsContact ND1-CZ 3.33Å; H341-F376 WeakPolarHBondContact ND1-CZ 3.29Å; H341-F376 AromaticContact NE2-CZ 3.9Å; H341-R640 HydrophobicContact CB-CB 4.17Å; H341-Y644 AromaticContact CD2-CD2 3.85Å; H341-Y644 AromaticContact NE2-CD2 3.68Å
342	P	94.3	Very high	93.6	Very high	78 Å²	78	84.7 Å²	84.7	51%	0.506	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-28.1	179.1	24	-36.5	0	0	0	114	E344 Y644	P342-E344 VanDerWaalsContact C-N 3.33Å; P342-Y644 VanDerWaalsContact CD-CE2 3.49Å; P342-Y644 HydrophobicContact CG-CD2 4.08Å; P342-Y644 HydrophobicContact CG-CE1 4.39Å; P342-Y644 HydrophobicContact CG-CE2 3.5Å; P342-Y644 VanDerWaalsContact CG-CE2 3.5Å
343	E	93.8	Very high	93.9	Very high	46 Å²	46	82.5 Å²	82.5	22%	0.215	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	3.9	176.7	-56.5	-176.9	-153.3	0	0	114.4	H341 G345 L346 Y347 F376	H341-E343 WeakPolarHBondContact ND1-CB 3.29Å; H341-E343 PolarHBondContact ND1-N 3.28Å; H341-E343 PolarHBondContact O-N 2.89Å; E343-G345 PolarHBondContact O-N 3.1Å; E343-L346 HydrophobicContact CB-CD1 3.93Å; E343-L346 HydrophobicContact CB-CG 4.43Å; E343-L346 HydrophobicContact CG-CD1 4.09Å; E343-L346 WeakPolarHBondContact O-CB 3.22Å; E343-L346 WeakPolarHBondContact O-CG 3.42Å; E343-L346 PolarHBondContact O-N 3.47Å; E343-L346 VanDerWaalsContact O-N 3.1Å; E343-Y347 HydrophobicContact CB-CE2 4.05Å; E343-Y347 VanDerWaalsContact OE2-CE2 3.23Å; E343-Y347 WeakPolarHBondContact OE2-CE2 3.48Å; E343-Y347 PolarHBondContact OE2-OH 3.04Å; E343-F376 HydrophobicContact CB-CE1 4.12Å; E343-F376 HydrophobicContact CB-CE2 4.13Å; E343-F376 HydrophobicContact CB-CZ 3.86Å
344	E	94.8	Very high	94.3	Very high	42 Å²	42	83.8 Å²	83.8	20%	0.196	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	123.8	178.3	-167.3	71.9	-161.9	0	0	110.6	L340 H341 P342 T637 R640	L340-E344 HydrophobicContact CB-CB 4.27Å; L340-E344 HydrophobicContact CD2-CB 4.23Å; L340-E344 HydrophobicContact CD2-CG 4.02Å; L340-E344 HydrophobicContact CG-CB 4.44Å; L340-E344 HydrophobicContact CG-CG 4.25Å; H341-E344 HydrophobicContact CB-CB 4.49Å; H341-E344 WeakPolarHBondContact O-CB 3.44Å; H341-E344 PolarHBondContact O-N 3.5Å; P342-E344 VanDerWaalsContact C-N 3.33Å; E344-T637 HydrophobicContact CG-CG2 3.8Å; E344-T637 PolarHBondContact OE1-OG1 3.41Å; E344-R640 IonicContact OE1-CZ 3.43Å; E344-R640 IonicContact OE1-NE 2.89Å; E344-R640 IonicContact OE1-NH2 3.88Å; E344-R640 PolarHBondContact OE1-NH2 3.44Å; E344-R640 IonicContact OE2-CZ 2.72Å; E344-R640 IonicContact OE2-NE 3.31Å; E344-R640 PolarHBondContact OE2-NE 3.28Å; E344-R640 IonicContact OE2-NH2 3.22Å; E344-R640 PolarHBondContact OE2-NH2 2.96Å
345	G	93.7	Very high	94.6	Very high	69 Å²	69	76.5 Å²	76.5	71%	0.711	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	4.7	-178.3	0	0	0	0	0	115.6	E343	E343-G345 PolarHBondContact O-N 3.1Å
346	L	95.1	Very high	94.5	Very high	127 Å²	127	82 Å²	82	67%	0.665	41%	0.414	S	S	*	.	S	Bend	trans	-83.4	-18.8	175.7	-62.2	-173	0	0	0	114.1	E343	E343-L346 HydrophobicContact CB-CD1 3.93Å; E343-L346 HydrophobicContact CB-CG 4.43Å; E343-L346 HydrophobicContact CG-CD1 4.09Å; E343-L346 WeakPolarHBondContact O-CB 3.22Å; E343-L346 WeakPolarHBondContact O-CG 3.42Å; E343-L346 PolarHBondContact O-N 3.47Å; E343-L346 VanDerWaalsContact O-N 3.1Å
347	Y	94.5	Very high	94.4	Very high	56 Å²	56	79.9 Å²	79.9	22%	0.22	41%	0.413	C	S	.	.			trans	-110.4	144.5	-176.4	-59.3	-90.9	0	0	0	111.5	E343 L369 K372 A373 F376	E343-Y347 HydrophobicContact CB-CE2 4.05Å; E343-Y347 VanDerWaalsContact OE2-CE2 3.23Å; E343-Y347 WeakPolarHBondContact OE2-CE2 3.48Å; E343-Y347 PolarHBondContact OE2-OH 3.04Å; Y347-L369 HydrophobicContact CE1-CD1 4.32Å; Y347-K372 HydrophobicContact CE1-CB 4.07Å; Y347-A373 HydrophobicContact CD1-CB 4.1Å; Y347-F376 HydrophobicContact CD2-CB 3.61Å; Y347-F376 AromaticContact CD2-CD2 3.47Å; Y347-F376 HydrophobicContact CD2-CD2 3.47Å; Y347-F376 VanDerWaalsContact CD2-CD2 3.47Å; Y347-F376 HydrophobicContact CD2-CE2 4.37Å; Y347-F376 AromaticContact CD2-CG 3.68Å; Y347-F376 HydrophobicContact CD2-CG 3.68Å; Y347-F376 HydrophobicContact CE2-CB 4.4Å; Y347-F376 AromaticContact CE2-CD2 3.35Å; Y347-F376 HydrophobicContact CE2-CD2 3.35Å; Y347-F376 AromaticContact CE2-CE2 3.84Å; Y347-F376 HydrophobicContact CE2-CE2 3.84Å; Y347-F376 AromaticContact CE2-CG 4Å; Y347-F376 HydrophobicContact CE2-CG 4Å; Y347-F376 HydrophobicContact CG-CB 4.16Å; Y347-F376 HydrophobicContact CG-CD2 4.42Å
348	E	93.9	Very high	94.3	Very high	171 Å²	171	71.2 Å²	71.2	80%	0.799	38%	0.377	S	S	*	.			trans	-98.5	154.6	169.2	-64.3	-171.4	166.3	0	0	110.8	V350 S377	E348-V350 PolarHBondContact O-N 3.01Å; E348-S377 PolarHBondContact O-OG 2.93Å
349	K	95	Very high	94	Very high	92 Å²	92	65.9 Å²	65.9	40%	0.4	35%	0.353	S	S	.	.			trans	-50.4	135.4	179.4	-165.7	176	-163.3	-175.3	0	111.2	T351 S377 I379	K349-T351 PolarHBondContact O-N 3.49Å; K349-S377 VanDerWaalsContact CA-OG 3.3Å; K349-S377 WeakPolarHBondContact CA-OG 3.38Å; K349-S377 PolarHBondContact N-OG 2.89Å; K349-I379 WeakPolarHBondContact CE-O 3.31Å
350	V	96.9	Very high	93.3	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-69.8	107.2	-179.1	-178.1	0	0	0	0	110.1	E348 F354 A373 I374 G378 D380 L383	E348-V350 PolarHBondContact O-N 3.01Å; V350-F354 HydrophobicContact CG1-CD1 3.88Å; V350-F354 HydrophobicContact CG1-CE1 4.44Å; V350-F354 HydrophobicContact CG2-CD1 4.37Å; V350-F354 HydrophobicContact CG2-CE1 4.34Å; V350-A373 HydrophobicContact CG2-CB 3.52Å; V350-I374 HydrophobicContact CB-CG1 4.36Å; V350-I374 HydrophobicContact CG2-CG1 3.7Å; V350-G378 PolarHBondContact N-O 3.27Å; V350-D380 WeakPolarHBondContact O-CB 3.46Å; V350-D380 PolarHBondContact O-N 2.94Å; V350-L383 HydrophobicContact CG1-CD2 3.61Å
351	T	97.2	Very high	92.4	Very high	57 Å²	57	71.7 Å²	71.7	35%	0.35	39%	0.39	S	S	.	.			trans	-99.6	168.8	176.5	64.7	0	0	0	0	111.5	K349 A353 F354 W355	K349-T351 PolarHBondContact O-N 3.49Å; T351-A353 PolarHBondContact O-N 2.99Å; T351-A353 PolarHBondContact OG1-N 3.36Å; T351-F354 PolarHBondContact O-N 3.36Å; T351-F354 PolarHBondContact OG1-N 3.36Å; T351-W355 WeakPolarHBondContact O-CB 3.41Å; T351-W355 PolarHBondContact O-N 2.8Å
352	W	95.8	Very high	91.7	Very high	80 Å²	80	75 Å²	75	30%	0.303	41%	0.409	S	S	.	.	H	α-helix	trans	-54.8	-33.7	169.8	-82.2	103.9	0	0	0	113.8	R356 S382 L383 E386	W352-R356 WeakPolarHBondContact O-CB 3.4Å; W352-R356 VanDerWaalsContact O-CG 3.27Å; W352-R356 WeakPolarHBondContact O-CG 3.49Å; W352-R356 PolarHBondContact O-N 3.48Å; W352-S382 VanDerWaalsContact CD1-OG 3.26Å; W352-S382 PolarHBondContact NE1-O 3.43Å; W352-S382 PolarHBondContact NE1-OG 3.27Å; W352-S382 VanDerWaalsContact NE1-OG 3.15Å; W352-L383 HydrophobicContact CD2-CD1 3.66Å; W352-L383 HydrophobicContact CE3-CD1 3.67Å; W352-L383 HydrophobicContact CG-CD1 4.33Å; W352-L383 HydrophobicContact CH2-CD1 3.84Å; W352-L383 HydrophobicContact CZ2-CD1 3.81Å; W352-L383 HydrophobicContact CZ3-CD1 3.76Å; W352-E386 HydrophobicContact CH2-CB 3.83Å; W352-E386 HydrophobicContact CH2-CG 4.06Å; W352-E386 HydrophobicContact CZ2-CB 4.42Å; W352-E386 HydrophobicContact CZ3-CG 4.33Å
353	A	94.6	Very high	91.2	Very high	70 Å²	70	75.6 Å²	75.6	58%	0.579	40%	0.403	S	S	*	.	H	α-helix	trans	-67.1	-46.5	178.7	0	0	0	0	0	111.2	T351 R356 S357	T351-A353 PolarHBondContact O-N 2.99Å; T351-A353 PolarHBondContact OG1-N 3.36Å; A353-R356 PolarHBondContact O-N 3.34Å; A353-S357 PolarHBondContact O-N 3.32Å
354	F	94.8	Very high	90.7	Very high	54 Å²	54	73.6 Å²	73.6	24%	0.237	39%	0.394	C	S	.	.	H	α-helix	trans	-65.4	-42.3	175.9	-178.7	-86.4	0	0	0	112.2	V350 T351 R356 S357 C358 L369 I370 A373	V350-F354 HydrophobicContact CG1-CD1 3.88Å; V350-F354 HydrophobicContact CG1-CE1 4.44Å; V350-F354 HydrophobicContact CG2-CD1 4.37Å; V350-F354 HydrophobicContact CG2-CE1 4.34Å; T351-F354 PolarHBondContact O-N 3.36Å; T351-F354 PolarHBondContact OG1-N 3.36Å; F354-R356 PolarHBondContact O-N 3.28Å; F354-S357 WeakPolarHBondContact CA-OG 3.35Å; F354-S357 PolarHBondContact O-N 2.81Å; F354-S357 PolarHBondContact O-OG 3.1Å; F354-C358 PolarHBondContact O-N 3.2Å; F354-C358 PolarHBondContact O-SG 3.46Å; F354-L369 HydrophobicContact CE2-CD2 4.48Å; F354-L369 HydrophobicContact CZ-CD1 4.25Å; F354-L369 HydrophobicContact CZ-CD2 4.14Å; F354-L369 HydrophobicContact CZ-CG 3.79Å; F354-I370 HydrophobicContact CE1-CG1 4.16Å; F354-A373 HydrophobicContact CE1-CB 3.99Å; F354-A373 HydrophobicContact CZ-CB 3.82Å
355	W	93.2	Very high	90	Very high	10 Å²	10	75.9 Å²	75.9	4%	0.038	41%	0.411	C	S	.	.	H	α-helix	trans	-57.5	-50.5	176.6	-176.7	-95.1	0	0	0	111	T351 S357 C358 V359 I364 I370 L383 E386 A387 F390 W397	T351-W355 WeakPolarHBondContact O-CB 3.41Å; T351-W355 PolarHBondContact O-N 2.8Å; W355-S357 VanDerWaalsContact C-N 3.31Å; W355-S357 PolarHBondContact O-N 3.11Å; W355-C358 PolarHBondContact O-N 2.83Å; W355-C358 VanDerWaalsContact O-N 3.08Å; W355-V359 WeakPolarHBondContact O-CG2 3.23Å; W355-V359 PolarHBondContact O-N 2.99Å; W355-I364 HydrophobicContact CH2-CD1 3.84Å; W355-I364 HydrophobicContact CZ2-CD1 3.83Å; W355-I370 HydrophobicContact CE3-CD1 4.13Å; W355-I370 HydrophobicContact CE3-CG2 4.24Å; W355-I370 HydrophobicContact CZ3-CD1 4.08Å; W355-I370 HydrophobicContact CZ3-CG2 3.81Å; W355-L383 HydrophobicContact CB-CD1 4.09Å; W355-L383 HydrophobicContact CB-CD2 3.92Å; W355-L383 HydrophobicContact CD2-CD1 4.12Å; W355-L383 HydrophobicContact CD2-CD2 4.24Å; W355-L383 HydrophobicContact CE3-CD2 4.02Å; W355-L383 HydrophobicContact CG-CD1 3.87Å; W355-L383 HydrophobicContact CG-CD2 4.23Å; W355-E386 HydrophobicContact CZ2-CG 4.1Å; W355-A387 HydrophobicContact CH2-CB 4.22Å; W355-A387 HydrophobicContact CZ3-CB 4.03Å; W355-F390 AromaticContact CH2-CD2 3.94Å; W355-F390 HydrophobicContact CH2-CD2 3.94Å; W355-F390 HydrophobicContact CH2-CE2 4.25Å; W355-F390 HydrophobicContact CH2-CG 4.5Å; W355-F390 HydrophobicContact CZ2-CD2 4.05Å; W355-F390 AromaticContact CZ2-CE2 3.89Å; W355-F390 HydrophobicContact CZ2-CE2 3.89Å; W355-W397 HydrophobicContact CH2-CZ3 4.41Å
356	R	91.8	Very high	89.5	Confident	162 Å²	162	75.8 Å²	75.8	61%	0.611	39%	0.394	S	S	*	.	H	α-helix	trans	-63.4	-33.6	178.2	-71.5	177.1	-171	131.4	3.6	113	W352 A353 F354 C358 V359	W352-R356 WeakPolarHBondContact O-CB 3.4Å; W352-R356 VanDerWaalsContact O-CG 3.27Å; W352-R356 WeakPolarHBondContact O-CG 3.49Å; W352-R356 PolarHBondContact O-N 3.48Å; A353-R356 PolarHBondContact O-N 3.34Å; F354-R356 PolarHBondContact O-N 3.28Å; R356-C358 PolarHBondContact O-N 2.94Å; R356-V359 PolarHBondContact O-N 3.36Å
357	S	91.5	Very high	89.3	Confident	92 Å²	92	71.6 Å²	71.6	64%	0.643	37%	0.372	S	S	*	.	H	α-helix	trans	-67.9	-21.9	175.9	62	0	0	0	0	113.5	A353 F354 W355	A353-S357 PolarHBondContact O-N 3.32Å; F354-S357 WeakPolarHBondContact CA-OG 3.35Å; F354-S357 PolarHBondContact O-N 2.81Å; F354-S357 PolarHBondContact O-OG 3.1Å; W355-S357 VanDerWaalsContact C-N 3.31Å; W355-S357 PolarHBondContact O-N 3.11Å
358	C	90.4	Very high	89	Confident	9 Å²	9	71.6 Å²	71.6	6%	0.061	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-2	176.4	-58.9	0	0	0	0	113.1	F354 W355 R356 V365 I370	F354-C358 PolarHBondContact O-N 3.2Å; F354-C358 PolarHBondContact O-SG 3.46Å; W355-C358 PolarHBondContact O-N 2.83Å; W355-C358 VanDerWaalsContact O-N 3.08Å; R356-C358 PolarHBondContact O-N 2.94Å; C358-V365 PolarHBondContact O-N 3.3Å; C358-I370 HydrophobicContact CB-CD1 3.69Å; C358-I370 HydrophobicContact CB-CG1 3.94Å
359	V	86.3	Confident	88.9	Confident	48 Å²	48	66.3 Å²	66.3	29%	0.291	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	125.3	179.8	176.9	0	0	0	0	109.7	W355 R356 K363 I364	W355-V359 WeakPolarHBondContact O-CG2 3.23Å; W355-V359 PolarHBondContact O-N 2.99Å; R356-V359 PolarHBondContact O-N 3.36Å; V359-K363 CarbonylContact C-O 3.45Å; V359-K363 VanDerWaalsContact CA-O 3.28Å; V359-K363 WeakPolarHBondContact CA-O 3.47Å; V359-I364 HydrophobicContact CG2-CG1 4.22Å
360	N	80.2	Confident	88.8	Confident	104 Å²	104	61.9 Å²	61.9	56%	0.556	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	130.7	173.8	-170.6	10.2	0	0	0	109.8	D362 K363 V365	N360-D362 PolarHBondContact O-N 3.46Å; N360-K363 PolarHBondContact N-O 3.38Å; N360-K363 PolarHBondContact O-N 3.24Å; N360-V365 HydrophobicContact CB-CG2 3.23Å
361	V	78.3	Confident	88.6	Confident	120 Å²	120	62.7 Å²	62.7	73%	0.727	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.6	48.9	-177.9	-160.4	0	0	0	0	111.6	K363	V361-K363 PolarHBondContact O-N 3.1Å; V361-K363 VanDerWaalsContact O-N 3.14Å
362	D	79.3	Confident	88.5	Confident	89 Å²	89	61.3 Å²	61.3	48%	0.476	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	10.4	179.9	-57.8	-39.1	0	0	0	117.4	N360 R401 R404	N360-D362 PolarHBondContact O-N 3.46Å; D362-R401 HydrophobicContact CB-CB 3.97Å; D362-R404 PolarHBondContact O-NH2 3.31Å
363	K	83.9	Confident	88.5	Confident	90 Å²	90	57.5 Å²	57.5	39%	0.391	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	145.6	173.5	-60.4	-172.1	-178.7	-175	0	111.5	V359 N360 V361 V365 T400	V359-K363 CarbonylContact C-O 3.45Å; V359-K363 VanDerWaalsContact CA-O 3.28Å; V359-K363 WeakPolarHBondContact CA-O 3.47Å; N360-K363 PolarHBondContact N-O 3.38Å; N360-K363 PolarHBondContact O-N 3.24Å; V361-K363 PolarHBondContact O-N 3.1Å; V361-K363 VanDerWaalsContact O-N 3.14Å; K363-V365 PolarHBondContact O-N 2.86Å; K363-T400 HydrophobicContact CD-CG2 4.11Å; K363-T400 HydrophobicContact CG-CG2 3.83Å
364	I	83.1	Confident	88.6	Confident	3 Å²	3	54.3 Å²	54.3	2%	0.015	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	119.8	168.9	-61.1	173.2	0	0	0	107.7	W355 V359 D367 I370 F390 W397 Q398	W355-I364 HydrophobicContact CH2-CD1 3.84Å; W355-I364 HydrophobicContact CZ2-CD1 3.83Å; V359-I364 HydrophobicContact CG2-CG1 4.22Å; I364-D367 HydrophobicContact CG2-CB 4.03Å; I364-I370 HydrophobicContact CG2-CD1 3.53Å; I364-F390 HydrophobicContact CD1-CD1 3.9Å; I364-F390 HydrophobicContact CD1-CE1 3.69Å; I364-F390 HydrophobicContact CD1-CE2 4.35Å; I364-F390 HydrophobicContact CD1-CG 4.29Å; I364-F390 HydrophobicContact CD1-CZ 3.93Å; I364-W397 WeakPolarHBondContact CB-O 3.38Å; I364-W397 HydrophobicContact CD1-CE3 3.67Å; I364-W397 HydrophobicContact CD1-CZ3 4.04Å; I364-W397 HydrophobicContact CG2-CE3 4.33Å; I364-Q398 PolarHBondContact O-OE1 3.03Å
365	V	80.4	Confident	88.6	Confident	91 Å²	91	51.8 Å²	51.8	55%	0.552	27%	0.272	S	S	*	.	S	Bend	trans	-86.1	-34.5	-177.3	-176.2	0	0	0	0	111.7	C358 N360 K363	C358-V365 PolarHBondContact O-N 3.3Å; N360-V365 HydrophobicContact CB-CG2 3.23Å; K363-V365 PolarHBondContact O-N 2.86Å
366	D	84.1	Confident	88.8	Confident	67 Å²	67	52.1 Å²	52.1	36%	0.358	27%	0.273	S	S	.	.			trans	-133.1	76.4	-172.9	-164.2	-16.8	0	0	0	110.2	E368 L369 I370	D366-E368 VanDerWaalsContact C-N 3.26Å; D366-L369 HydrophobicContact CB-CB 4.09Å; D366-L369 VanDerWaalsContact OD1-CB 3.23Å; D366-L369 WeakPolarHBondContact OD1-CB 3.43Å; D366-L369 PolarHBondContact OD1-N 3.05Å; D366-L369 WeakPolarHBondContact OD2-CB 3.32Å; D366-I370 PolarHBondContact O-N 3.18Å
367	D	89.6	Confident	89	Confident	38 Å²	38	46 Å²	46	20%	0.203	26%	0.256	C	S	.	.	H	α-helix	trans	-70	-25.7	176.4	68.4	-72	0	0	0	112.2	I364 I370 R371 W397 Q398	I364-D367 HydrophobicContact CG2-CB 4.03Å; D367-I370 PolarHBondContact O-N 3.27Å; D367-R371 WeakPolarHBondContact O-CB 3.34Å; D367-R371 WeakPolarHBondContact O-CG 3.4Å; D367-R371 PolarHBondContact O-N 2.96Å; D367-R371 IonicContact OD2-NE 3.33Å; D367-R371 PolarHBondContact OD2-NE 2.89Å; D367-W397 HydrophobicContact CB-CB 3.94Å; D367-W397 HydrophobicContact CB-CD2 3.71Å; D367-W397 HydrophobicContact CB-CE3 3.36Å; D367-W397 HydrophobicContact CB-CG 3.98Å; D367-W397 HydrophobicContact CB-CZ3 4.1Å; D367-Q398 PolarHBondContact OD1-NE2 2.85Å
368	E	88.3	Confident	89.3	Confident	57 Å²	57	42.1 Å²	42.1	27%	0.266	23%	0.229	S	C	.	.	H	α-helix	trans	-63.4	-46.8	175.1	-170.3	-177.2	157.5	0	0	111.1	D366 I370 R371 K372 S666	D366-E368 VanDerWaalsContact C-N 3.26Å; E368-I370 PolarHBondContact O-N 2.72Å; E368-R371 PolarHBondContact O-N 3.22Å; E368-K372 HydrophobicContact CG-CD 4.28Å; E368-K372 WeakPolarHBondContact O-CB 3.14Å; E368-K372 WeakPolarHBondContact O-CG 3.4Å; E368-K372 PolarHBondContact O-N 3.07Å; E368-K372 WeakPolarHBondContact OE1-CE 3.27Å; E368-K372 IonicContact OE1-NZ 2.73Å; E368-K372 PolarHBondContact OE1-NZ 2.84Å; E368-S666 VanDerWaalsContact OE1-CB 3.22Å; E368-S666 WeakPolarHBondContact OE1-CB 3.22Å; E368-S666 PolarHBondContact OE1-OG 2.87Å
369	L	91.6	Very high	89.6	Confident	59 Å²	59	41.7 Å²	41.7	31%	0.309	23%	0.227	S	C	.	.	H	α-helix	trans	-62.3	-42.5	176.7	177.2	60.9	0	0	0	111.8	Y347 F354 D366 K372 A373	Y347-L369 HydrophobicContact CE1-CD1 4.32Å; F354-L369 HydrophobicContact CE2-CD2 4.48Å; F354-L369 HydrophobicContact CZ-CD1 4.25Å; F354-L369 HydrophobicContact CZ-CD2 4.14Å; F354-L369 HydrophobicContact CZ-CG 3.79Å; D366-L369 HydrophobicContact CB-CB 4.09Å; D366-L369 VanDerWaalsContact OD1-CB 3.23Å; D366-L369 WeakPolarHBondContact OD1-CB 3.43Å; D366-L369 PolarHBondContact OD1-N 3.05Å; D366-L369 WeakPolarHBondContact OD2-CB 3.32Å; L369-K372 PolarHBondContact O-N 3.42Å; L369-A373 WeakPolarHBondContact O-CB 3.37Å; L369-A373 PolarHBondContact O-N 2.82Å
370	I	93.5	Very high	90.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.4	-51.8	175.1	-69.1	167.6	0	0	0	110.3	F354 W355 C358 I364 D366 D367 E368 K372 A373 I374 W397	F354-I370 HydrophobicContact CE1-CG1 4.16Å; W355-I370 HydrophobicContact CE3-CD1 4.13Å; W355-I370 HydrophobicContact CE3-CG2 4.24Å; W355-I370 HydrophobicContact CZ3-CD1 4.08Å; W355-I370 HydrophobicContact CZ3-CG2 3.81Å; C358-I370 HydrophobicContact CB-CD1 3.69Å; C358-I370 HydrophobicContact CB-CG1 3.94Å; I364-I370 HydrophobicContact CG2-CD1 3.53Å; D366-I370 PolarHBondContact O-N 3.18Å; D367-I370 PolarHBondContact O-N 3.27Å; E368-I370 PolarHBondContact O-N 2.72Å; I370-K372 VanDerWaalsContact C-N 3.32Å; I370-K372 PolarHBondContact O-N 3.43Å; I370-A373 PolarHBondContact O-N 2.69Å; I370-I374 HydrophobicContact CG2-CD1 3.63Å; I370-I374 HydrophobicContact CG2-CG1 4.24Å; I370-I374 VanDerWaalsContact O-CG1 3.25Å; I370-I374 WeakPolarHBondContact O-CG1 3.5Å; I370-I374 PolarHBondContact O-N 3.03Å; I370-W397 HydrophobicContact CB-CZ3 4.43Å; I370-W397 HydrophobicContact CD1-CZ3 4.48Å; I370-W397 HydrophobicContact CG2-CH2 4.21Å; I370-W397 HydrophobicContact CG2-CZ3 3.97Å
371	R	93.7	Very high	90.9	Very high	16 Å²	16	39.8 Å²	39.8	6%	0.06	22%	0.219	C	C	.	.	H	α-helix	trans	-58.4	-43	179.9	-73.2	171	-176.5	-103.4	9.1	111.5	D367 E368 I374 F375 W397 T586	D367-R371 WeakPolarHBondContact O-CB 3.34Å; D367-R371 WeakPolarHBondContact O-CG 3.4Å; D367-R371 PolarHBondContact O-N 2.96Å; D367-R371 IonicContact OD2-NE 3.33Å; D367-R371 PolarHBondContact OD2-NE 2.89Å; E368-R371 PolarHBondContact O-N 3.22Å; R371-I374 PolarHBondContact O-N 2.91Å; R371-F375 WeakPolarHBondContact O-CB 3.34Å; R371-F375 PolarHBondContact O-N 2.92Å; R371-W397 HydrophobicContact CG-CH2 4.25Å; R371-W397 HydrophobicContact CG-CZ2 4.26Å; R371-T586 PolarHBondContact NH1-O 2.88Å; R371-T586 WeakPolarHBondContact O-CG2 3.49Å
372	K	93.6	Very high	91.8	Very high	29 Å²	29	37.4 Å²	37.4	13%	0.126	21%	0.207	C	C	.	.	H	α-helix	trans	-60.5	-49.7	174.2	-80.4	173.5	168.6	169.1	0	111.9	Y347 E368 L369 I370 I374 F375 F376 Y588	Y347-K372 HydrophobicContact CE1-CB 4.07Å; E368-K372 HydrophobicContact CG-CD 4.28Å; E368-K372 WeakPolarHBondContact O-CB 3.14Å; E368-K372 WeakPolarHBondContact O-CG 3.4Å; E368-K372 PolarHBondContact O-N 3.07Å; E368-K372 WeakPolarHBondContact OE1-CE 3.27Å; E368-K372 IonicContact OE1-NZ 2.73Å; E368-K372 PolarHBondContact OE1-NZ 2.84Å; L369-K372 PolarHBondContact O-N 3.42Å; I370-K372 VanDerWaalsContact C-N 3.32Å; I370-K372 PolarHBondContact O-N 3.43Å; K372-I374 VanDerWaalsContact C-N 3.33Å; K372-I374 PolarHBondContact O-N 2.83Å; K372-F375 PolarHBondContact O-N 2.99Å; K372-F376 VanDerWaalsContact O-CD2 3.27Å; K372-F376 WeakPolarHBondContact O-CD2 3.33Å; K372-F376 PolarHBondContact O-N 2.59Å; K372-Y588 HydrophobicContact CD-CE2 4.13Å; K372-Y588 HydrophobicContact CG-CD2 3.84Å; K372-Y588 HydrophobicContact CG-CE2 3.58Å
373	A	95.6	Very high	92.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.1	-43.5	179.4	0	0	0	0	0	111.7	Y347 V350 F354 L369 I370 F375 F376 S377	Y347-A373 HydrophobicContact CD1-CB 4.1Å; V350-A373 HydrophobicContact CG2-CB 3.52Å; F354-A373 HydrophobicContact CE1-CB 3.99Å; F354-A373 HydrophobicContact CZ-CB 3.82Å; L369-A373 WeakPolarHBondContact O-CB 3.37Å; L369-A373 PolarHBondContact O-N 2.82Å; I370-A373 PolarHBondContact O-N 2.69Å; A373-F375 PolarHBondContact O-N 3.06Å; A373-F376 PolarHBondContact O-N 3.46Å; A373-S377 WeakPolarHBondContact O-CB 3.49Å; A373-S377 PolarHBondContact O-N 2.88Å; A373-S377 PolarHBondContact O-OG 3.5Å
374	I	96.7	Very high	93.2	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-60.7	-46.2	175	-65	176.5	0	0	0	110.9	V350 I370 R371 K372 F376 G378 I379 L391 E582 T586	V350-I374 HydrophobicContact CB-CG1 4.36Å; V350-I374 HydrophobicContact CG2-CG1 3.7Å; I370-I374 HydrophobicContact CG2-CD1 3.63Å; I370-I374 HydrophobicContact CG2-CG1 4.24Å; I370-I374 VanDerWaalsContact O-CG1 3.25Å; I370-I374 WeakPolarHBondContact O-CG1 3.5Å; I370-I374 PolarHBondContact O-N 3.03Å; R371-I374 PolarHBondContact O-N 2.91Å; K372-I374 VanDerWaalsContact C-N 3.33Å; K372-I374 PolarHBondContact O-N 2.83Å; I374-F376 VanDerWaalsContact C-N 3.34Å; I374-F376 PolarHBondContact O-N 2.99Å; I374-G378 VanDerWaalsContact O-CA 3.32Å; I374-G378 WeakPolarHBondContact O-CA 3.46Å; I374-G378 PolarHBondContact O-N 3.15Å; I374-I379 HydrophobicContact CB-CG1 4.36Å; I374-I379 HydrophobicContact CD1-CD1 3.84Å; I374-I379 HydrophobicContact CD1-CG1 3.95Å; I374-I379 HydrophobicContact CG1-CD1 4.2Å; I374-I379 HydrophobicContact CG1-CG1 3.77Å; I374-I379 HydrophobicContact CG2-CD1 4Å; I374-I379 HydrophobicContact CG2-CG1 3.84Å; I374-L391 HydrophobicContact CD1-CD1 4.15Å; I374-L391 HydrophobicContact CD1-CD2 4.16Å; I374-E582 HydrophobicContact CG2-CB 4.1Å; I374-T586 HydrophobicContact CB-CG2 3.79Å; I374-T586 HydrophobicContact CG2-CG2 3.51Å
375	F	96.6	Very high	93.9	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.009	19%	0.188	C	C	.	.	H	α-helix	trans	-60.9	-40.2	-178.5	-179.7	-103.2	0	0	0	113.2	R371 K372 A373 A583 T586 Y588 F593 R640 L643	R371-F375 WeakPolarHBondContact O-CB 3.34Å; R371-F375 PolarHBondContact O-N 2.92Å; K372-F375 PolarHBondContact O-N 2.99Å; A373-F375 PolarHBondContact O-N 3.06Å; F375-A583 HydrophobicContact CD2-CB 4.35Å; F375-T586 HydrophobicContact CB-CG2 4.08Å; F375-Y588 HydrophobicContact CB-CD1 4.33Å; F375-Y588 HydrophobicContact CB-CG 4.48Å; F375-Y588 AromaticContact CD1-CD1 3.33Å; F375-Y588 HydrophobicContact CD1-CD1 3.33Å; F375-Y588 AromaticContact CD1-CE1 3.85Å; F375-Y588 HydrophobicContact CD1-CE1 3.85Å; F375-Y588 HydrophobicContact CD1-CG 4.25Å; F375-Y588 HydrophobicContact CD2-CD1 4.19Å; F375-Y588 AromaticContact CE1-CD1 3.45Å; F375-Y588 HydrophobicContact CE1-CD1 3.45Å; F375-Y588 VanDerWaalsContact CE1-CD1 3.45Å; F375-Y588 AromaticContact CE1-CE1 3.85Å; F375-Y588 HydrophobicContact CE1-CE1 3.85Å; F375-Y588 HydrophobicContact CE2-CD1 4.3Å; F375-Y588 AromaticContact CG-CD1 3.7Å; F375-Y588 HydrophobicContact CG-CD1 3.7Å; F375-Y588 HydrophobicContact CG-CG 4.22Å; F375-Y588 AromaticContact CZ-CD1 3.94Å; F375-Y588 HydrophobicContact CZ-CD1 3.94Å; F375-F593 HydrophobicContact CE2-CD1 4.07Å; F375-F593 AromaticContact CE2-CD2 3.77Å; F375-F593 HydrophobicContact CE2-CD2 3.77Å; F375-F593 AromaticContact CE2-CE1 3.94Å; F375-F593 HydrophobicContact CE2-CE1 3.94Å; F375-F593 AromaticContact CE2-CE2 3.63Å; F375-F593 HydrophobicContact CE2-CE2 3.63Å; F375-F593 AromaticContact CE2-CG 3.98Å; F375-F593 HydrophobicContact CE2-CG 3.98Å; F375-F593 AromaticContact CE2-CZ 3.72Å; F375-F593 HydrophobicContact CE2-CZ 3.72Å; F375-F593 HydrophobicContact CZ-CD2 4.11Å; F375-F593 AromaticContact CZ-CE2 3.69Å; F375-F593 HydrophobicContact CZ-CE2 3.69Å; F375-F593 AromaticContact CZ-CZ 4Å; F375-F593 HydrophobicContact CZ-CZ 4Å; F375-R640 HydrophobicContact CD1-CG 4.22Å; F375-R640 HydrophobicContact CE1-CB 4.13Å; F375-R640 HydrophobicContact CE1-CG 3.43Å; F375-R640 VanDerWaalsContact CE1-CG 3.43Å; F375-R640 HydrophobicContact CE2-CG 4.29Å; F375-R640 HydrophobicContact CZ-CB 4.28Å; F375-R640 HydrophobicContact CZ-CG 3.49Å; F375-R640 VanDerWaalsContact CZ-CG 3.49Å; F375-R640 PolarHBondContact O-NH1 2.97Å; F375-L643 HydrophobicContact CZ-CD2 4.04Å
376	F	97.1	Very high	94.6	Very high	16 Å²	16	33.7 Å²	33.7	7%	0.07	18%	0.177	C	C	.	.	H	α-helix	trans	-87.9	-29.3	-178	-74.6	-71.5	0	0	0	114.3	H341 E343 Y347 K372 A373 I374 Y588	H341-F376 HydrophobicContact CB-CE1 3.91Å; H341-F376 AromaticContact CE1-CZ 3.47Å; H341-F376 VanDerWaalsContact CE1-CZ 3.47Å; H341-F376 WeakPolarHBondContact CE1-CZ 3.02Å; H341-F376 AromaticContact CG-CE1 3.58Å; H341-F376 AromaticContact CG-CZ 3.76Å; H341-F376 AromaticContact ND1-CE1 3.44Å; H341-F376 WeakPolarHBondContact ND1-CE1 3.41Å; H341-F376 AromaticContact ND1-CZ 3.33Å; H341-F376 VanDerWaalsContact ND1-CZ 3.33Å; H341-F376 WeakPolarHBondContact ND1-CZ 3.29Å; H341-F376 AromaticContact NE2-CZ 3.9Å; E343-F376 HydrophobicContact CB-CE1 4.12Å; E343-F376 HydrophobicContact CB-CE2 4.13Å; E343-F376 HydrophobicContact CB-CZ 3.86Å; Y347-F376 HydrophobicContact CD2-CB 3.61Å; Y347-F376 AromaticContact CD2-CD2 3.47Å; Y347-F376 HydrophobicContact CD2-CD2 3.47Å; Y347-F376 VanDerWaalsContact CD2-CD2 3.47Å; Y347-F376 HydrophobicContact CD2-CE2 4.37Å; Y347-F376 AromaticContact CD2-CG 3.68Å; Y347-F376 HydrophobicContact CD2-CG 3.68Å; Y347-F376 HydrophobicContact CE2-CB 4.4Å; Y347-F376 AromaticContact CE2-CD2 3.35Å; Y347-F376 HydrophobicContact CE2-CD2 3.35Å; Y347-F376 AromaticContact CE2-CE2 3.84Å; Y347-F376 HydrophobicContact CE2-CE2 3.84Å; Y347-F376 AromaticContact CE2-CG 4Å; Y347-F376 HydrophobicContact CE2-CG 4Å; Y347-F376 HydrophobicContact CG-CB 4.16Å; Y347-F376 HydrophobicContact CG-CD2 4.42Å; K372-F376 VanDerWaalsContact O-CD2 3.27Å; K372-F376 WeakPolarHBondContact O-CD2 3.33Å; K372-F376 PolarHBondContact O-N 2.59Å; A373-F376 PolarHBondContact O-N 3.46Å; I374-F376 VanDerWaalsContact C-N 3.34Å; I374-F376 PolarHBondContact O-N 2.99Å; F376-Y588 AromaticContact CE2-CE1 3.89Å; F376-Y588 HydrophobicContact CE2-CE1 3.89Å; F376-Y588 HydrophobicContact CZ-CE1 4.04Å
377	S	96.2	Very high	95.1	Very high	35 Å²	35	30.5 Å²	30.5	25%	0.245	16%	0.16	C	C	.	.	H	α-helix	trans	-134.7	-8.6	-167.2	73.6	0	0	0	0	116	E348 K349 A373	E348-S377 PolarHBondContact O-OG 2.93Å; K349-S377 VanDerWaalsContact CA-OG 3.3Å; K349-S377 WeakPolarHBondContact CA-OG 3.38Å; K349-S377 PolarHBondContact N-OG 2.89Å; A373-S377 WeakPolarHBondContact O-CB 3.49Å; A373-S377 PolarHBondContact O-N 2.88Å; A373-S377 PolarHBondContact O-OG 3.5Å
378	G	96.6	Very high	95.5	Very high	9 Å²	9	28.7 Å²	28.7	9%	0.093	15%	0.15	C	C	.	.			trans	75.4	-175	178.7	0	0	0	0	0	114.9	V350 I374	V350-G378 PolarHBondContact N-O 3.27Å; I374-G378 VanDerWaalsContact O-CA 3.32Å; I374-G378 WeakPolarHBondContact O-CA 3.46Å; I374-G378 PolarHBondContact O-N 3.15Å
379	I	97.2	Very high	95.9	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-111.8	139	-173.3	-53.6	173.6	0	0	0	110.4	K349 I374 L383 R384 A387 L391 E582	K349-I379 WeakPolarHBondContact CE-O 3.31Å; I374-I379 HydrophobicContact CB-CG1 4.36Å; I374-I379 HydrophobicContact CD1-CD1 3.84Å; I374-I379 HydrophobicContact CD1-CG1 3.95Å; I374-I379 HydrophobicContact CG1-CD1 4.2Å; I374-I379 HydrophobicContact CG1-CG1 3.77Å; I374-I379 HydrophobicContact CG2-CD1 4Å; I374-I379 HydrophobicContact CG2-CG1 3.84Å; I379-L383 HydrophobicContact CG2-CB 3.9Å; I379-L383 HydrophobicContact CG2-CD2 4.11Å; I379-L383 HydrophobicContact CG2-CG 4.19Å; I379-R384 HydrophobicContact CG2-CG 4.3Å; I379-A387 HydrophobicContact CD1-CB 4.17Å; I379-L391 HydrophobicContact CD1-CD1 3.61Å; I379-E582 HydrophobicContact CD1-CB 4.13Å; I379-E582 HydrophobicContact CD1-CG 3.71Å; I379-E582 HydrophobicContact CG1-CG 4.34Å; I379-E582 PolarHBondContact N-OE2 3.41Å
380	D	97.1	Very high	96.1	Very high	47 Å²	47	23.5 Å²	23.5	25%	0.251	13%	0.125	S	C	.	.			trans	-60.2	131	167.4	-174.2	-95.3	0	0	0	110.9	V350 S382 L383	V350-D380 WeakPolarHBondContact O-CB 3.46Å; V350-D380 PolarHBondContact O-N 2.94Å; D380-S382 PolarHBondContact O-N 2.96Å; D380-S382 VanDerWaalsContact OD1-CB 3.31Å; D380-S382 WeakPolarHBondContact OD1-CB 3.5Å; D380-S382 PolarHBondContact OD1-N 3.42Å; D380-S382 PolarHBondContact OD1-OG 2.8Å; D380-L383 WeakPolarHBondContact O-CB 3.25Å; D380-L383 PolarHBondContact O-N 3.21Å
381	P	96.5	Very high	96.1	Very high	65 Å²	65	23.5 Å²	23.5	42%	0.422	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-53.2	-31.7	-175.4	-29.7	36.4	0	0	0	114.5	L383 R384	P381-L383 VanDerWaalsContact C-N 3.25Å; P381-L383 PolarHBondContact O-N 2.93Å; P381-R384 PolarHBondContact O-N 3.31Å
382	S	96.1	Very high	96.2	Very high	70 Å²	70	22.8 Å²	22.8	49%	0.49	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	-71	-17.8	179	72	0	0	0	0	114.1	W352 D380	W352-S382 VanDerWaalsContact CD1-OG 3.26Å; W352-S382 PolarHBondContact NE1-O 3.43Å; W352-S382 PolarHBondContact NE1-OG 3.27Å; W352-S382 VanDerWaalsContact NE1-OG 3.15Å; D380-S382 PolarHBondContact O-N 2.96Å; D380-S382 VanDerWaalsContact OD1-CB 3.31Å; D380-S382 WeakPolarHBondContact OD1-CB 3.5Å; D380-S382 PolarHBondContact OD1-N 3.42Å; D380-S382 PolarHBondContact OD1-OG 2.8Å
383	L	96.5	Very high	96.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-94	-16	-180	-175	66.3	0	0	0	112.6	V350 W352 W355 I379 D380 P381 R385 E386 A387	V350-L383 HydrophobicContact CG1-CD2 3.61Å; W352-L383 HydrophobicContact CD2-CD1 3.66Å; W352-L383 HydrophobicContact CE3-CD1 3.67Å; W352-L383 HydrophobicContact CG-CD1 4.33Å; W352-L383 HydrophobicContact CH2-CD1 3.84Å; W352-L383 HydrophobicContact CZ2-CD1 3.81Å; W352-L383 HydrophobicContact CZ3-CD1 3.76Å; W355-L383 HydrophobicContact CB-CD1 4.09Å; W355-L383 HydrophobicContact CB-CD2 3.92Å; W355-L383 HydrophobicContact CD2-CD1 4.12Å; W355-L383 HydrophobicContact CD2-CD2 4.24Å; W355-L383 HydrophobicContact CE3-CD2 4.02Å; W355-L383 HydrophobicContact CG-CD1 3.87Å; W355-L383 HydrophobicContact CG-CD2 4.23Å; I379-L383 HydrophobicContact CG2-CB 3.9Å; I379-L383 HydrophobicContact CG2-CD2 4.11Å; I379-L383 HydrophobicContact CG2-CG 4.19Å; D380-L383 WeakPolarHBondContact O-CB 3.25Å; D380-L383 PolarHBondContact O-N 3.21Å; P381-L383 VanDerWaalsContact C-N 3.25Å; P381-L383 PolarHBondContact O-N 2.93Å; L383-R385 VanDerWaalsContact C-N 3.25Å; L383-R385 PolarHBondContact O-N 2.95Å; L383-R385 VanDerWaalsContact O-N 3.15Å; L383-E386 HydrophobicContact CD1-CB 4.04Å; L383-E386 HydrophobicContact CD1-CG 4.4Å; L383-E386 PolarHBondContact O-N 3.18Å; L383-A387 HydrophobicContact CG-CB 4.38Å; L383-A387 PolarHBondContact O-N 3.02Å
384	R	97.5	Very high	96.2	Very high	12 Å²	12	26.1 Å²	26.1	5%	0.045	14%	0.142	C	C	.	.	H	α-helix	trans	-52.3	-42	-175.2	-71.1	177.6	171.7	148.4	-1.4	113.3	I379 P381 E386 A387 W388 V495 D575 M578 E582	I379-R384 HydrophobicContact CG2-CG 4.3Å; P381-R384 PolarHBondContact O-N 3.31Å; R384-E386 PolarHBondContact O-N 3.46Å; R384-A387 PolarHBondContact O-N 3.46Å; R384-W388 HydrophobicContact CB-CD2 4.27Å; R384-W388 HydrophobicContact CB-CG 4.49Å; R384-W388 HydrophobicContact CB-CZ2 4.31Å; R384-W388 HydrophobicContact CG-CZ2 4.23Å; R384-W388 VanDerWaalsContact O-CB 3.28Å; R384-W388 WeakPolarHBondContact O-CB 3.41Å; R384-W388 PolarHBondContact O-N 2.85Å; R384-V495 HydrophobicContact CB-CG1 3.57Å; R384-D575 IonicContact CZ-OD1 3.62Å; R384-D575 IonicContact NH1-OD1 3.2Å; R384-D575 PolarHBondContact NH1-OD1 3.48Å; R384-D575 IonicContact NH2-OD1 3.37Å; R384-M578 VanDerWaalsContact NH1-CE 3.32Å; R384-E582 WeakPolarHBondContact CG-OE1 3.39Å; R384-E582 IonicContact CZ-OE1 3.89Å; R384-E582 IonicContact NE-OE1 3.61Å; R384-E582 PolarHBondContact NE-OE1 3.45Å; R384-E582 IonicContact NH2-OE1 3.66Å
385	R	96.9	Very high	96.1	Very high	113 Å²	113	26.5 Å²	26.5	43%	0.426	14%	0.143	S	C	.	.	H	α-helix	trans	-58	-36.7	178.6	-177	-175.1	-69.9	-119.5	6.1	112.9	L383 P389 L496 H497	L383-R385 VanDerWaalsContact C-N 3.25Å; L383-R385 PolarHBondContact O-N 2.95Å; L383-R385 VanDerWaalsContact O-N 3.15Å; R385-P389 WeakPolarHBondContact O-CD 3.29Å; R385-L496 HydrophobicContact CG-CD2 4.23Å; R385-L496 PolarHBondContact NH1-O 2.77Å; R385-L496 PolarHBondContact NH2-O 3.35Å; R385-H497 PolarHBondContact NH2-CD2 3.05Å
386	E	94.8	Very high	96	Very high	70 Å²	70	30 Å²	30	33%	0.327	17%	0.166	S	C	.	.	H	α-helix	trans	-81.7	-41.4	178.8	-174.7	66	-162.3	0	0	111.6	W352 W355 L383 R384 F390	W352-E386 HydrophobicContact CH2-CB 3.83Å; W352-E386 HydrophobicContact CH2-CG 4.06Å; W352-E386 HydrophobicContact CZ2-CB 4.42Å; W352-E386 HydrophobicContact CZ3-CG 4.33Å; W355-E386 HydrophobicContact CZ2-CG 4.1Å; L383-E386 HydrophobicContact CD1-CB 4.04Å; L383-E386 HydrophobicContact CD1-CG 4.4Å; L383-E386 PolarHBondContact O-N 3.18Å; R384-E386 PolarHBondContact O-N 3.46Å; E386-F390 VanDerWaalsContact O-CD2 3.29Å; E386-F390 WeakPolarHBondContact O-CD2 3.32Å
387	A	95.9	Very high	95.7	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-80.3	-34.8	-171.5	0	0	0	0	0	114.1	W355 I379 L383 R384 F390 L391	W355-A387 HydrophobicContact CH2-CB 4.22Å; W355-A387 HydrophobicContact CZ3-CB 4.03Å; I379-A387 HydrophobicContact CD1-CB 4.17Å; L383-A387 HydrophobicContact CG-CB 4.38Å; L383-A387 PolarHBondContact O-N 3.02Å; R384-A387 PolarHBondContact O-N 3.46Å; A387-F390 WeakPolarHBondContact O-CB 3.4Å; A387-F390 PolarHBondContact O-N 3.29Å; A387-F390 VanDerWaalsContact O-N 3.12Å; A387-L391 PolarHBondContact O-N 3.25Å; A387-L391 VanDerWaalsContact O-N 3.13Å
388	W	97.5	Very high	95.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.5	-41.6	-173.8	-75.7	8.4	0	0	0	114.4	R384 F390 L391 L392 L492 V495 L496 M578 E582 W585	R384-W388 HydrophobicContact CB-CD2 4.27Å; R384-W388 HydrophobicContact CB-CG 4.49Å; R384-W388 HydrophobicContact CB-CZ2 4.31Å; R384-W388 HydrophobicContact CG-CZ2 4.23Å; R384-W388 VanDerWaalsContact O-CB 3.28Å; R384-W388 WeakPolarHBondContact O-CB 3.41Å; R384-W388 PolarHBondContact O-N 2.85Å; W388-F390 PolarHBondContact O-N 3.1Å; W388-F390 VanDerWaalsContact O-N 3.15Å; W388-L391 PolarHBondContact O-N 3.49Å; W388-L391 VanDerWaalsContact O-N 3.1Å; W388-L392 HydrophobicContact CB-CD1 4.45Å; W388-L392 WeakPolarHBondContact O-CB 3.2Å; W388-L392 PolarHBondContact O-N 3.4Å; W388-L492 HydrophobicContact CD2-CD2 4.49Å; W388-L492 HydrophobicContact CE3-CD2 3.58Å; W388-L492 HydrophobicContact CH2-CD2 4.35Å; W388-L492 HydrophobicContact CZ3-CD2 3.54Å; W388-V495 HydrophobicContact CD2-CG1 4.46Å; W388-V495 HydrophobicContact CE3-CB 4.25Å; W388-V495 HydrophobicContact CE3-CG1 3.96Å; W388-V495 HydrophobicContact CH2-CB 3.87Å; W388-V495 HydrophobicContact CH2-CG1 4.03Å; W388-V495 HydrophobicContact CH2-CG2 3.64Å; W388-V495 HydrophobicContact CZ2-CG2 4.45Å; W388-V495 HydrophobicContact CZ3-CB 3.52Å; W388-V495 HydrophobicContact CZ3-CG1 3.67Å; W388-V495 HydrophobicContact CZ3-CG2 3.85Å; W388-L496 HydrophobicContact CE3-CG 4.33Å; W388-M578 HydrophobicContact CH2-CG 4.21Å; W388-M578 HydrophobicContact CH2-SD 3.55Å; W388-M578 VanDerWaalsContact CH2-SD 3.55Å; W388-M578 HydrophobicContact CZ2-CB 4.45Å; W388-M578 HydrophobicContact CZ2-CG 4.18Å; W388-M578 HydrophobicContact CZ2-SD 3.8Å; W388-E582 PolarHBondContact NE1-OE1 3.16Å; W388-W585 HydrophobicContact CD2-CZ3 4.03Å; W388-W585 AromaticContact CE2-CZ3 3.87Å; W388-W585 HydrophobicContact CG-CZ3 4.11Å; W388-W585 HydrophobicContact CZ2-CZ3 4.35Å; W388-W585 AromaticContact NE1-CZ3 3.91Å
389	P	96.8	Very high	95.2	Very high	6 Å²	6	33 Å²	33	4%	0.039	17%	0.174	C	C	.	.	H	α-helix	trans	-54.9	-31.2	173.5	-29.7	37.3	0	0	0	114.2	R385 V394 Y395	R385-P389 WeakPolarHBondContact O-CD 3.29Å; P389-V394 HydrophobicContact CB-CB 4.14Å; P389-V394 WeakPolarHBondContact O-CA 3.48Å; P389-V394 WeakPolarHBondContact O-CB 3.11Å; P389-V394 PolarHBondContact O-N 2.98Å; P389-Y395 HydrophobicContact CB-CD2 3.4Å; P389-Y395 HydrophobicContact CB-CE2 3.5Å; P389-Y395 VanDerWaalsContact CB-CE2 3.5Å; P389-Y395 HydrophobicContact CB-CG 4.13Å; P389-Y395 HydrophobicContact CG-CD2 4.4Å; P389-Y395 HydrophobicContact CG-CE2 4.11Å; P389-Y395 PolarHBondContact O-N 2.63Å
390	F	95.2	Very high	95	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-78.6	-41.4	174.6	-65.1	-87	0	0	0	112.5	W355 I364 E386 A387 W388 L392 D393 Y395 W397	W355-F390 AromaticContact CH2-CD2 3.94Å; W355-F390 HydrophobicContact CH2-CD2 3.94Å; W355-F390 HydrophobicContact CH2-CE2 4.25Å; W355-F390 HydrophobicContact CH2-CG 4.5Å; W355-F390 HydrophobicContact CZ2-CD2 4.05Å; W355-F390 AromaticContact CZ2-CE2 3.89Å; W355-F390 HydrophobicContact CZ2-CE2 3.89Å; I364-F390 HydrophobicContact CD1-CD1 3.9Å; I364-F390 HydrophobicContact CD1-CE1 3.69Å; I364-F390 HydrophobicContact CD1-CE2 4.35Å; I364-F390 HydrophobicContact CD1-CG 4.29Å; I364-F390 HydrophobicContact CD1-CZ 3.93Å; E386-F390 VanDerWaalsContact O-CD2 3.29Å; E386-F390 WeakPolarHBondContact O-CD2 3.32Å; A387-F390 WeakPolarHBondContact O-CB 3.4Å; A387-F390 PolarHBondContact O-N 3.29Å; A387-F390 VanDerWaalsContact O-N 3.12Å; W388-F390 PolarHBondContact O-N 3.1Å; W388-F390 VanDerWaalsContact O-N 3.15Å; F390-L392 VanDerWaalsContact C-N 3.26Å; F390-L392 PolarHBondContact O-N 2.95Å; F390-D393 PolarHBondContact O-N 2.87Å; F390-Y395 HydrophobicContact CE2-CD2 4.2Å; F390-Y395 HydrophobicContact CZ-CD2 4.29Å; F390-W397 HydrophobicContact CB-CD2 4.07Å; F390-W397 HydrophobicContact CB-CE3 4.18Å; F390-W397 HydrophobicContact CB-CH2 3.84Å; F390-W397 HydrophobicContact CB-CZ2 3.67Å; F390-W397 HydrophobicContact CB-CZ3 4.08Å; F390-W397 HydrophobicContact CD1-CD2 4.35Å; F390-W397 HydrophobicContact CD1-CE3 4.38Å; F390-W397 PolarHBondContact O-NE1 3.23Å
391	L	94.6	Very high	94.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-67.4	-27.7	178.9	-72.8	171.9	0	0	0	113.1	I374 I379 A387 W388 W397 R512 W585 T586	I374-L391 HydrophobicContact CD1-CD1 4.15Å; I374-L391 HydrophobicContact CD1-CD2 4.16Å; I379-L391 HydrophobicContact CD1-CD1 3.61Å; A387-L391 PolarHBondContact O-N 3.25Å; A387-L391 VanDerWaalsContact O-N 3.13Å; W388-L391 PolarHBondContact O-N 3.49Å; W388-L391 VanDerWaalsContact O-N 3.1Å; L391-W397 HydrophobicContact CD2-CH2 4.12Å; L391-W397 HydrophobicContact CD2-CZ2 3.96Å; L391-W397 HydrophobicContact CG-CH2 4.45Å; L391-W397 HydrophobicContact CG-CZ2 4.35Å; L391-R512 PolarHBondContact O-NH2 2.91Å; L391-W585 HydrophobicContact CB-CB 3.99Å; L391-W585 HydrophobicContact CB-CE3 4.28Å; L391-W585 HydrophobicContact CD1-CE3 4.41Å; L391-W585 HydrophobicContact CD2-CB 4.48Å; L391-T586 HydrophobicContact CD2-CG2 4.38Å
392	L	95.1	Very high	94.6	Very high	1 Å²	1	43 Å²	43	1%	0.005	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	16.9	179.9	-65.1	169.6	0	0	0	112.5	W388 F390 V394 L492 C505 L509 W585	W388-L392 HydrophobicContact CB-CD1 4.45Å; W388-L392 WeakPolarHBondContact O-CB 3.2Å; W388-L392 PolarHBondContact O-N 3.4Å; F390-L392 VanDerWaalsContact C-N 3.26Å; F390-L392 PolarHBondContact O-N 2.95Å; L392-V394 PolarHBondContact O-N 2.75Å; L392-V394 VanDerWaalsContact O-N 3.12Å; L392-L492 HydrophobicContact CD1-CD2 3.98Å; L392-C505 HydrophobicContact CD1-CB 3.7Å; L392-L509 HydrophobicContact CD2-CB 4.13Å; L392-W585 HydrophobicContact CD1-CE3 4.47Å; L392-W585 HydrophobicContact CD1-CH2 4.12Å; L392-W585 HydrophobicContact CD1-CZ2 4.49Å; L392-W585 HydrophobicContact CD1-CZ3 4.12Å; L392-W585 HydrophobicContact CD2-CD2 3.67Å; L392-W585 HydrophobicContact CD2-CE3 4.06Å; L392-W585 HydrophobicContact CD2-CG 4.04Å; L392-W585 HydrophobicContact CD2-CH2 4.31Å; L392-W585 HydrophobicContact CD2-CZ2 3.95Å; L392-W585 HydrophobicContact CD2-CZ3 4.37Å; L392-W585 HydrophobicContact CG-CD2 4.26Å; L392-W585 HydrophobicContact CG-CE3 4.16Å; L392-W585 HydrophobicContact CG-CZ3 4.31Å
393	D	93.5	Very high	94.5	Very high	78 Å²	78	44.2 Å²	44.2	42%	0.417	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	23.1	173.9	-53.9	-49.7	0	0	0	115.4	F390 R512	F390-D393 PolarHBondContact O-N 2.87Å; D393-R512 IonicContact OD1-NH2 3.4Å; D393-R512 PolarHBondContact OD1-NH2 2.96Å; D393-R512 IonicContact OD2-CZ 2.69Å; D393-R512 IonicContact OD2-NE 3.46Å; D393-R512 PolarHBondContact OD2-NE 2.91Å; D393-R512 IonicContact OD2-NH2 2.75Å; D393-R512 PolarHBondContact OD2-NH2 3.45Å
394	V	95.9	Very high	94.5	Very high	20 Å²	20	45.3 Å²	45.3	12%	0.121	21%	0.211	C	C	.	.	S	Bend	trans	-70.6	-41.3	169.2	-176.8	0	0	0	0	110	P389 L392 L411 W504	P389-V394 HydrophobicContact CB-CB 4.14Å; P389-V394 WeakPolarHBondContact O-CA 3.48Å; P389-V394 WeakPolarHBondContact O-CB 3.11Å; P389-V394 PolarHBondContact O-N 2.98Å; L392-V394 PolarHBondContact O-N 2.75Å; L392-V394 VanDerWaalsContact O-N 3.12Å; V394-L411 HydrophobicContact CG1-CD1 3.65Å; V394-W504 HydrophobicContact CG1-CB 4.13Å; V394-W504 HydrophobicContact CG2-CB 4.13Å
395	Y	95	Very high	94.4	Very high	11 Å²	11	48.4 Å²	48.4	4%	0.043	23%	0.225	C	C	.	.	S	Bend	trans	-113.6	129.3	175.7	-60.1	-32.4	0	0	0	111.3	P389 F390 W397 R404 I407 R408	P389-Y395 HydrophobicContact CB-CD2 3.4Å; P389-Y395 HydrophobicContact CB-CE2 3.5Å; P389-Y395 VanDerWaalsContact CB-CE2 3.5Å; P389-Y395 HydrophobicContact CB-CG 4.13Å; P389-Y395 HydrophobicContact CG-CD2 4.4Å; P389-Y395 HydrophobicContact CG-CE2 4.11Å; P389-Y395 PolarHBondContact O-N 2.63Å; F390-Y395 HydrophobicContact CE2-CD2 4.2Å; F390-Y395 HydrophobicContact CZ-CD2 4.29Å; Y395-W397 PolarHBondContact O-N 3.35Å; Y395-R404 HydrophobicContact CD1-CB 4.44Å; Y395-R404 HydrophobicContact CD1-CG 4.09Å; Y395-R404 HydrophobicContact CD2-CG 4.16Å; Y395-R404 HydrophobicContact CE1-CB 4.44Å; Y395-R404 HydrophobicContact CG-CG 3.9Å; Y395-I407 HydrophobicContact CD1-CG2 4.05Å; Y395-I407 HydrophobicContact CE1-CG2 4.07Å; Y395-R408 PolarHBondContact OH-NE 3.27Å; Y395-R408 PolarHBondContact OH-NH2 2.96Å
396	P	93.2	Very high	94.4	Very high	75 Å²	75	48.1 Å²	48.1	49%	0.487	23%	0.229	S	C	.	.			trans	-60.1	135.4	167.9	-21.5	32.4	0	0	0	110.5	Q398 S399 I407	P396-Q398 PolarHBondContact O-N 2.73Å; P396-S399 VanDerWaalsContact O-CB 3.23Å; P396-S399 WeakPolarHBondContact O-CB 3.48Å; P396-S399 PolarHBondContact O-N 3.02Å; P396-S399 PolarHBondContact O-OG 3.31Å; P396-I407 HydrophobicContact CG-CD1 4.38Å
397	W	91.4	Very high	94.5	Very high	17 Å²	17	46.9 Å²	46.9	6%	0.064	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-35.7	-179.3	-71.5	81.9	0	0	0	113.3	W355 I364 D367 I370 R371 F390 L391 Y395 S399	W355-W397 HydrophobicContact CH2-CZ3 4.41Å; I364-W397 WeakPolarHBondContact CB-O 3.38Å; I364-W397 HydrophobicContact CD1-CE3 3.67Å; I364-W397 HydrophobicContact CD1-CZ3 4.04Å; I364-W397 HydrophobicContact CG2-CE3 4.33Å; D367-W397 HydrophobicContact CB-CB 3.94Å; D367-W397 HydrophobicContact CB-CD2 3.71Å; D367-W397 HydrophobicContact CB-CE3 3.36Å; D367-W397 HydrophobicContact CB-CG 3.98Å; D367-W397 HydrophobicContact CB-CZ3 4.1Å; I370-W397 HydrophobicContact CB-CZ3 4.43Å; I370-W397 HydrophobicContact CD1-CZ3 4.48Å; I370-W397 HydrophobicContact CG2-CH2 4.21Å; I370-W397 HydrophobicContact CG2-CZ3 3.97Å; R371-W397 HydrophobicContact CG-CH2 4.25Å; R371-W397 HydrophobicContact CG-CZ2 4.26Å; F390-W397 HydrophobicContact CB-CD2 4.07Å; F390-W397 HydrophobicContact CB-CE3 4.18Å; F390-W397 HydrophobicContact CB-CH2 3.84Å; F390-W397 HydrophobicContact CB-CZ2 3.67Å; F390-W397 HydrophobicContact CB-CZ3 4.08Å; F390-W397 HydrophobicContact CD1-CD2 4.35Å; F390-W397 HydrophobicContact CD1-CE3 4.38Å; F390-W397 PolarHBondContact O-NE1 3.23Å; L391-W397 HydrophobicContact CD2-CH2 4.12Å; L391-W397 HydrophobicContact CD2-CZ2 3.96Å; L391-W397 HydrophobicContact CG-CH2 4.45Å; L391-W397 HydrophobicContact CG-CZ2 4.35Å; Y395-W397 PolarHBondContact O-N 3.35Å; W397-S399 VanDerWaalsContact C-N 3.29Å; W397-S399 PolarHBondContact O-N 3.4Å
398	Q	90	Very high	94.5	Very high	104 Å²	104	50.5 Å²	50.5	49%	0.486	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	5.9	-177.7	-58.2	-59.5	-34.6	0	0	113.9	I364 D367 P396	I364-Q398 PolarHBondContact O-OE1 3.03Å; D367-Q398 PolarHBondContact OD1-NE2 2.85Å; P396-Q398 PolarHBondContact O-N 2.73Å
399	S	92.8	Very high	94.5	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.021	26%	0.261	C	S	.	.			trans	-68.2	147.6	179.5	59.9	0	0	0	0	112.4	P396 W397 Q403 R404	P396-S399 VanDerWaalsContact O-CB 3.23Å; P396-S399 WeakPolarHBondContact O-CB 3.48Å; P396-S399 PolarHBondContact O-N 3.02Å; P396-S399 PolarHBondContact O-OG 3.31Å; W397-S399 VanDerWaalsContact C-N 3.29Å; W397-S399 PolarHBondContact O-N 3.4Å; S399-Q403 VanDerWaalsContact CA-OE1 3.32Å; S399-R404 PolarHBondContact O-NH1 3.09Å; S399-R404 VanDerWaalsContact OG-CG 3.25Å; S399-R404 WeakPolarHBondContact OG-CG 3.46Å; S399-R404 PolarHBondContact OG-NH1 3.44Å
400	T	93.4	Very high	94.6	Very high	27 Å²	27	59.6 Å²	59.6	17%	0.166	29%	0.286	C	S	.	.			trans	-78.1	166	163.3	63.5	0	0	0	0	110.9	K363 E402 Q403 R404	K363-T400 HydrophobicContact CD-CG2 4.11Å; K363-T400 HydrophobicContact CG-CG2 3.83Å; T400-E402 VanDerWaalsContact C-N 3.32Å; T400-E402 PolarHBondContact O-N 2.68Å; T400-E402 PolarHBondContact OG1-N 3.32Å; T400-Q403 PolarHBondContact O-N 3.47Å; T400-Q403 WeakPolarHBondContact OG1-CB 3.34Å; T400-Q403 VanDerWaalsContact OG1-CG 3.3Å; T400-Q403 WeakPolarHBondContact OG1-CG 3.37Å; T400-Q403 PolarHBondContact OG1-N 3.45Å; T400-R404 WeakPolarHBondContact O-CG 3.37Å; T400-R404 PolarHBondContact O-N 3.17Å; T400-R404 PolarHBondContact O-NH1 3.2Å
401	R	91.1	Very high	94.7	Very high	157 Å²	157	60.9 Å²	60.9	59%	0.592	29%	0.293	S	S	*	.	H	α-helix	trans	-54.8	-46.6	168.2	-177.3	178	178.6	-173.7	-1.4	112.3	D362 Q403 R404 E405	D362-R401 HydrophobicContact CB-CB 3.97Å; R401-Q403 PolarHBondContact O-N 3.26Å; R401-R404 WeakPolarHBondContact O-CB 3.47Å; R401-R404 PolarHBondContact O-N 3.15Å; R401-R404 VanDerWaalsContact O-N 3.13Å; R401-E405 PolarHBondContact O-N 3.19Å
402	E	93	Very high	94.9	Very high	137 Å²	137	65.9 Å²	65.9	64%	0.64	32%	0.315	S	S	*	.	H	α-helix	trans	-60	-43.7	177.9	-176.4	-179.8	-163.6	0	0	112.4	T400 R404 E405 H406	T400-E402 VanDerWaalsContact C-N 3.32Å; T400-E402 PolarHBondContact O-N 2.68Å; T400-E402 PolarHBondContact OG1-N 3.32Å; E402-R404 VanDerWaalsContact C-N 3.3Å; E402-R404 PolarHBondContact O-N 2.9Å; E402-E405 WeakPolarHBondContact O-CB 3.19Å; E402-E405 PolarHBondContact O-N 3.22Å; E402-E405 VanDerWaalsContact O-N 3.16Å; E402-H406 PolarHBondContact O-CD2 3.3Å; E402-H406 PolarHBondContact O-N 3.18Å; E402-H406 VanDerWaalsContact O-N 3.07Å
403	Q	95.5	Very high	95	Very high	96 Å²	96	70.5 Å²	70.5	45%	0.449	34%	0.338	S	S	.	.	H	α-helix	trans	-61.9	-38.3	175	-73.6	171.3	-28.6	0	0	111.8	S399 T400 R401 H406 I407	S399-Q403 VanDerWaalsContact CA-OE1 3.32Å; T400-Q403 PolarHBondContact O-N 3.47Å; T400-Q403 WeakPolarHBondContact OG1-CB 3.34Å; T400-Q403 VanDerWaalsContact OG1-CG 3.3Å; T400-Q403 WeakPolarHBondContact OG1-CG 3.37Å; T400-Q403 PolarHBondContact OG1-N 3.45Å; R401-Q403 PolarHBondContact O-N 3.26Å; Q403-H406 PolarHBondContact O-N 3.5Å; Q403-I407 VanDerWaalsContact O-CG1 3.29Å; Q403-I407 WeakPolarHBondContact O-CG1 3.35Å; Q403-I407 PolarHBondContact O-N 3.13Å
404	R	95.2	Very high	95.2	Very high	23 Å²	23	70.8 Å²	70.8	9%	0.087	34%	0.337	C	S	.	.	H	α-helix	trans	-66.2	-35.5	174.6	-70.5	-171.2	-69.8	-80.2	2.2	112.8	D362 Y395 S399 T400 R401 E402 I407 R408	D362-R404 PolarHBondContact O-NH2 3.31Å; Y395-R404 HydrophobicContact CD1-CB 4.44Å; Y395-R404 HydrophobicContact CD1-CG 4.09Å; Y395-R404 HydrophobicContact CD2-CG 4.16Å; Y395-R404 HydrophobicContact CE1-CB 4.44Å; Y395-R404 HydrophobicContact CG-CG 3.9Å; S399-R404 PolarHBondContact O-NH1 3.09Å; S399-R404 VanDerWaalsContact OG-CG 3.25Å; S399-R404 WeakPolarHBondContact OG-CG 3.46Å; S399-R404 PolarHBondContact OG-NH1 3.44Å; T400-R404 WeakPolarHBondContact O-CG 3.37Å; T400-R404 PolarHBondContact O-N 3.17Å; T400-R404 PolarHBondContact O-NH1 3.2Å; R401-R404 WeakPolarHBondContact O-CB 3.47Å; R401-R404 PolarHBondContact O-N 3.15Å; R401-R404 VanDerWaalsContact O-N 3.13Å; E402-R404 VanDerWaalsContact C-N 3.3Å; E402-R404 PolarHBondContact O-N 2.9Å; R404-I407 PolarHBondContact O-N 3.42Å; R404-R408 WeakPolarHBondContact O-CB 3.28Å; R404-R408 PolarHBondContact O-N 2.79Å
405	E	95	Very high	95.4	Very high	77 Å²	77	69.9 Å²	69.9	36%	0.36	33%	0.332	S	S	.	.	H	α-helix	trans	-62.1	-44.2	172.2	-65.4	-56.7	134.5	0	0	111.4	R401 E402 R408 N409	R401-E405 PolarHBondContact O-N 3.19Å; E402-E405 WeakPolarHBondContact O-CB 3.19Å; E402-E405 PolarHBondContact O-N 3.22Å; E402-E405 VanDerWaalsContact O-N 3.16Å; E405-R408 PolarHBondContact O-N 2.98Å; E405-R408 IonicContact OE1-CZ 3.79Å; E405-R408 IonicContact OE1-NH1 2.63Å; E405-R408 PolarHBondContact OE1-NH1 2.77Å; E405-R408 IonicContact OE1-NH2 3.71Å; E405-R408 IonicContact OE2-NH1 2.95Å; E405-R408 PolarHBondContact OE2-NH1 3.31Å; E405-N409 PolarHBondContact O-N 3.23Å; E405-N409 PolarHBondContact O-ND2 2.65Å
406	H	97	Very high	95.5	Very high	108 Å²	108	71.9 Å²	71.9	50%	0.5	34%	0.342	S	S	.	.	H	α-helix	trans	-61.1	-48.7	175	-72.6	-61.9	0	0	0	112.2	E402 Q403 R408 N409 D410	E402-H406 PolarHBondContact O-CD2 3.3Å; E402-H406 PolarHBondContact O-N 3.18Å; E402-H406 VanDerWaalsContact O-N 3.07Å; Q403-H406 PolarHBondContact O-N 3.5Å; H406-R408 VanDerWaalsContact C-N 3.3Å; H406-R408 PolarHBondContact O-N 3.36Å; H406-N409 PolarHBondContact O-N 3.22Å; H406-N409 VanDerWaalsContact O-N 3.17Å; H406-D410 PolarHBondContact O-N 3.44Å
407	I	97.1	Very high	95.7	Very high	43 Å²	43	71.8 Å²	71.8	22%	0.221	34%	0.337	C	S	.	.	H	α-helix	trans	-56.7	-46.1	176.3	-67.6	164.5	0	0	0	110.1	Y395 P396 Q403 R404 N409 D410 L411	Y395-I407 HydrophobicContact CD1-CG2 4.05Å; Y395-I407 HydrophobicContact CE1-CG2 4.07Å; P396-I407 HydrophobicContact CG-CD1 4.38Å; Q403-I407 VanDerWaalsContact O-CG1 3.29Å; Q403-I407 WeakPolarHBondContact O-CG1 3.35Å; Q403-I407 PolarHBondContact O-N 3.13Å; R404-I407 PolarHBondContact O-N 3.42Å; I407-N409 VanDerWaalsContact C-N 3.31Å; I407-N409 PolarHBondContact O-N 3.35Å; I407-D410 PolarHBondContact O-N 3.11Å; I407-L411 HydrophobicContact CG2-CD1 3.66Å; I407-L411 HydrophobicContact CG2-CG 3.99Å; I407-L411 VanDerWaalsContact O-CB 3.31Å; I407-L411 WeakPolarHBondContact O-CB 3.4Å; I407-L411 WeakPolarHBondContact O-CG 3.4Å; I407-L411 PolarHBondContact O-N 3Å
408	R	96.7	Very high	96	Very high	76 Å²	76	71.4 Å²	71.4	29%	0.287	34%	0.336	S	S	.	.	H	α-helix	trans	-58.6	-42.6	179.1	-172	-177.7	-61.2	112.2	2.6	112.2	Y395 R404 E405 H406 F412	Y395-R408 PolarHBondContact OH-NE 3.27Å; Y395-R408 PolarHBondContact OH-NH2 2.96Å; R404-R408 WeakPolarHBondContact O-CB 3.28Å; R404-R408 PolarHBondContact O-N 2.79Å; E405-R408 PolarHBondContact O-N 2.98Å; E405-R408 IonicContact OE1-CZ 3.79Å; E405-R408 IonicContact OE1-NH1 2.63Å; E405-R408 PolarHBondContact OE1-NH1 2.77Å; E405-R408 IonicContact OE1-NH2 3.71Å; E405-R408 IonicContact OE2-NH1 2.95Å; E405-R408 PolarHBondContact OE2-NH1 3.31Å; H406-R408 VanDerWaalsContact C-N 3.3Å; H406-R408 PolarHBondContact O-N 3.36Å; R408-F412 WeakPolarHBondContact O-CB 3.34Å; R408-F412 PolarHBondContact O-N 3.23Å
409	N	97.5	Very high	96.4	Very high	92 Å²	92	68.7 Å²	68.7	49%	0.492	32%	0.323	S	S	.	.	H	α-helix	trans	-64.9	-43.6	178.3	-72	-31.1	0	0	0	112.1	E405 H406 I407 F412 I413	E405-N409 PolarHBondContact O-N 3.23Å; E405-N409 PolarHBondContact O-ND2 2.65Å; H406-N409 PolarHBondContact O-N 3.22Å; H406-N409 VanDerWaalsContact O-N 3.17Å; I407-N409 VanDerWaalsContact C-N 3.31Å; I407-N409 PolarHBondContact O-N 3.35Å; N409-F412 WeakPolarHBondContact O-CB 3.45Å; N409-F412 PolarHBondContact O-N 2.91Å; N409-I413 WeakPolarHBondContact O-CG1 3.37Å; N409-I413 PolarHBondContact O-N 3.29Å; N409-I413 VanDerWaalsContact O-N 3.08Å
410	D	98.1	Very high	96.6	Very high	106 Å²	106	74.5 Å²	74.5	57%	0.567	35%	0.347	S	S	*	.	H	α-helix	trans	-63.5	-46.8	177.7	-68.8	-19.6	0	0	0	111.2	H406 I407 F412 I413 E414	H406-D410 PolarHBondContact O-N 3.44Å; I407-D410 PolarHBondContact O-N 3.11Å; D410-F412 VanDerWaalsContact C-N 3.29Å; D410-F412 PolarHBondContact O-N 3.4Å; D410-I413 PolarHBondContact O-N 3.28Å; D410-I413 VanDerWaalsContact O-N 3.16Å; D410-E414 PolarHBondContact O-N 3.09Å
411	L	97.9	Very high	96.7	Very high	27 Å²	27	79.3 Å²	79.3	14%	0.141	37%	0.366	C	S	.	.	H	α-helix	trans	-61.5	-35.3	176.6	-72.1	-175	0	0	0	112.4	V394 I407 Y415 W504	V394-L411 HydrophobicContact CG1-CD1 3.65Å; I407-L411 HydrophobicContact CG2-CD1 3.66Å; I407-L411 HydrophobicContact CG2-CG 3.99Å; I407-L411 VanDerWaalsContact O-CB 3.31Å; I407-L411 WeakPolarHBondContact O-CB 3.4Å; I407-L411 WeakPolarHBondContact O-CG 3.4Å; I407-L411 PolarHBondContact O-N 3Å; L411-Y415 WeakPolarHBondContact O-CB 2.99Å; L411-Y415 PolarHBondContact O-N 3.38Å; L411-W504 HydrophobicContact CB-CG 4.39Å; L411-W504 HydrophobicContact CD1-CB 4.37Å; L411-W504 HydrophobicContact CD1-CD2 4.5Å; L411-W504 HydrophobicContact CD1-CG 4.03Å; L411-W504 HydrophobicContact CD2-CD2 3.75Å; L411-W504 HydrophobicContact CD2-CE3 4.17Å; L411-W504 HydrophobicContact CD2-CG 4.14Å; L411-W504 HydrophobicContact CD2-CH2 4.31Å; L411-W504 HydrophobicContact CD2-CZ2 3.91Å; L411-W504 HydrophobicContact CD2-CZ3 4.43Å; L411-W504 HydrophobicContact CG-CD2 4.49Å; L411-W504 HydrophobicContact CG-CG 4.41Å; L411-W504 PolarHBondContact O-NE1 2.99Å
412	F	98.3	Very high	97	Very high	105 Å²	105	72.6 Å²	72.6	46%	0.461	34%	0.341	S	S	.	.	H	α-helix	trans	-63.9	-48	173.1	179.4	-90.4	0	0	0	111.3	R408 N409 D410 E414 Y415 Q416 V500	R408-F412 WeakPolarHBondContact O-CB 3.34Å; R408-F412 PolarHBondContact O-N 3.23Å; N409-F412 WeakPolarHBondContact O-CB 3.45Å; N409-F412 PolarHBondContact O-N 2.91Å; D410-F412 VanDerWaalsContact C-N 3.29Å; D410-F412 PolarHBondContact O-N 3.4Å; F412-E414 VanDerWaalsContact C-N 3.33Å; F412-E414 PolarHBondContact O-N 3.43Å; F412-Y415 PolarHBondContact O-N 2.93Å; F412-Q416 HydrophobicContact CD1-CG 4.1Å; F412-Q416 HydrophobicContact CE1-CG 3.7Å; F412-Q416 HydrophobicContact CE2-CG 4.5Å; F412-Q416 HydrophobicContact CZ-CG 3.92Å; F412-Q416 WeakPolarHBondContact O-CG 3.32Å; F412-Q416 PolarHBondContact O-N 3.37Å; F412-V500 HydrophobicContact CB-CG1 4.5Å; F412-V500 HydrophobicContact CD2-CG2 3.85Å; F412-V500 HydrophobicContact CE2-CG2 4.36Å
413	I	98.4	Very high	97.1	Very high	98 Å²	98	70.5 Å²	70.5	50%	0.503	33%	0.333	S	S	.	.	H	α-helix	trans	-60.4	-45.1	178.7	-67.1	165.4	0	0	0	110.5	N409 D410 Q416 N417	N409-I413 WeakPolarHBondContact O-CG1 3.37Å; N409-I413 PolarHBondContact O-N 3.29Å; N409-I413 VanDerWaalsContact O-N 3.08Å; D410-I413 PolarHBondContact O-N 3.28Å; D410-I413 VanDerWaalsContact O-N 3.16Å; I413-Q416 PolarHBondContact O-N 3.49Å; I413-N417 VanDerWaalsContact O-CG 3.31Å; I413-N417 PolarHBondContact O-N 3.07Å; I413-N417 PolarHBondContact O-ND2 3.16Å
414	E	98	Very high	97	Very high	85 Å²	85	73.6 Å²	73.6	40%	0.397	35%	0.345	S	S	.	.	H	α-helix	trans	-61.9	-44.6	177.9	-175.6	170.5	-179.4	0	0	111.8	D410 F412 Q416 N417 L418 W504	D410-E414 PolarHBondContact O-N 3.09Å; F412-E414 VanDerWaalsContact C-N 3.33Å; F412-E414 PolarHBondContact O-N 3.43Å; E414-Q416 PolarHBondContact O-N 3.16Å; E414-N417 WeakPolarHBondContact O-CB 3.09Å; E414-N417 PolarHBondContact O-N 2.98Å; E414-N417 VanDerWaalsContact O-N 3.1Å; E414-L418 PolarHBondContact O-N 3.28Å; E414-W504 HydrophobicContact CB-CZ2 3.93Å; E414-W504 HydrophobicContact CG-CH2 3.93Å; E414-W504 HydrophobicContact CG-CZ2 3.74Å
415	Y	98.4	Very high	96.9	Very high	0 Å²	0	76.2 Å²	76.2	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-59.3	-44.9	175.6	-174.2	-96.2	0	0	0	112.5	L411 F412 N417 L418 K419 N471 E499 V500 F503	L411-Y415 WeakPolarHBondContact O-CB 2.99Å; L411-Y415 PolarHBondContact O-N 3.38Å; F412-Y415 PolarHBondContact O-N 2.93Å; Y415-N417 VanDerWaalsContact C-N 3.25Å; Y415-N417 PolarHBondContact O-N 3.3Å; Y415-L418 WeakPolarHBondContact O-CB 3.15Å; Y415-L418 PolarHBondContact O-N 2.87Å; Y415-L418 VanDerWaalsContact O-N 3.16Å; Y415-K419 HydrophobicContact CE1-CD 4.47Å; Y415-K419 PolarHBondContact O-N 3.49Å; Y415-N471 HydrophobicContact CE2-CB 4.2Å; Y415-N471 PolarHBondContact OH-ND2 2.93Å; Y415-E499 HydrophobicContact CE1-CG 3.73Å; Y415-E499 VanDerWaalsContact CE1-OE1 3.3Å; Y415-E499 WeakPolarHBondContact CE1-OE1 3.47Å; Y415-E499 WeakPolarHBondContact OH-CG 3.29Å; Y415-E499 PolarHBondContact OH-OE1 2.94Å; Y415-V500 HydrophobicContact CD1-CG2 3.7Å; Y415-V500 HydrophobicContact CE1-CG2 4.27Å; Y415-V500 HydrophobicContact CG-CG1 4.5Å; Y415-V500 HydrophobicContact CG-CG2 3.98Å; Y415-F503 HydrophobicContact CD2-CB 3.79Å; Y415-F503 AromaticContact CD2-CD1 3.54Å; Y415-F503 HydrophobicContact CD2-CD1 3.54Å; Y415-F503 HydrophobicContact CD2-CD2 4.05Å; Y415-F503 HydrophobicContact CD2-CE1 4.12Å; Y415-F503 AromaticContact CD2-CG 3.5Å; Y415-F503 HydrophobicContact CD2-CG 3.5Å; Y415-F503 HydrophobicContact CE2-CB 3.46Å; Y415-F503 VanDerWaalsContact CE2-CB 3.46Å; Y415-F503 AromaticContact CE2-CD1 3.91Å; Y415-F503 HydrophobicContact CE2-CD1 3.91Å; Y415-F503 AromaticContact CE2-CD2 3.57Å; Y415-F503 HydrophobicContact CE2-CD2 3.57Å; Y415-F503 HydrophobicContact CE2-CE2 4.28Å; Y415-F503 AromaticContact CE2-CG 3.35Å; Y415-F503 HydrophobicContact CE2-CG 3.35Å
416	Q	98.2	Very high	96.7	Very high	54 Å²	54	74.4 Å²	74.4	25%	0.252	36%	0.355	S	S	.	.	H	α-helix	trans	-62.1	-34.6	176.1	-64.8	-52.8	-33.2	0	0	112	F412 I413 E414 K419 K420	F412-Q416 HydrophobicContact CD1-CG 4.1Å; F412-Q416 HydrophobicContact CE1-CG 3.7Å; F412-Q416 HydrophobicContact CE2-CG 4.5Å; F412-Q416 HydrophobicContact CZ-CG 3.92Å; F412-Q416 WeakPolarHBondContact O-CG 3.32Å; F412-Q416 PolarHBondContact O-N 3.37Å; I413-Q416 PolarHBondContact O-N 3.49Å; E414-Q416 PolarHBondContact O-N 3.16Å; Q416-K419 PolarHBondContact O-N 2.98Å; Q416-K420 WeakPolarHBondContact O-CG 3.38Å; Q416-K420 PolarHBondContact O-N 3.37Å
417	N	98	Very high	96.4	Very high	72 Å²	72	75.7 Å²	75.7	39%	0.385	37%	0.366	S	S	.	.	H	α-helix	trans	-67.1	-40	174.7	-70.8	-31.4	0	0	0	112.1	I413 E414 Y415 K420 K421	I413-N417 VanDerWaalsContact O-CG 3.31Å; I413-N417 PolarHBondContact O-N 3.07Å; I413-N417 PolarHBondContact O-ND2 3.16Å; E414-N417 WeakPolarHBondContact O-CB 3.09Å; E414-N417 PolarHBondContact O-N 2.98Å; E414-N417 VanDerWaalsContact O-N 3.1Å; Y415-N417 VanDerWaalsContact C-N 3.25Å; Y415-N417 PolarHBondContact O-N 3.3Å; N417-K420 PolarHBondContact O-N 2.71Å; N417-K421 WeakPolarHBondContact O-CG 3.33Å; N417-K421 PolarHBondContact O-N 3.12Å
418	L	97.7	Very high	96	Very high	9 Å²	9	81.9 Å²	81.9	5%	0.047	39%	0.394	C	S	.	.	H	α-helix	trans	-61.7	-45.5	172.2	-67.9	170.8	0	0	0	111.3	E414 Y415 K420 K421 R422 I474 F475 F503	E414-L418 PolarHBondContact O-N 3.28Å; Y415-L418 WeakPolarHBondContact O-CB 3.15Å; Y415-L418 PolarHBondContact O-N 2.87Å; Y415-L418 VanDerWaalsContact O-N 3.16Å; L418-K420 PolarHBondContact O-N 3.48Å; L418-K421 WeakPolarHBondContact O-CB 3.44Å; L418-K421 PolarHBondContact O-N 2.75Å; L418-K421 VanDerWaalsContact O-N 3.12Å; L418-R422 PolarHBondContact O-N 3.49Å; L418-I474 HydrophobicContact CD2-CG2 4Å; L418-F475 HydrophobicContact CD1-CB 4.08Å; L418-F475 HydrophobicContact CD1-CD2 3.99Å; L418-F475 HydrophobicContact CD1-CG 4.44Å; L418-F475 HydrophobicContact CD2-CB 4.11Å; L418-F475 HydrophobicContact CD2-CD2 4.4Å; L418-F503 HydrophobicContact CD1-CE1 3.74Å; L418-F503 HydrophobicContact CD1-CE2 4.46Å; L418-F503 HydrophobicContact CD1-CZ 3.52Å
419	K	97.1	Very high	95.4	Very high	48 Å²	48	79.7 Å²	79.7	21%	0.209	39%	0.39	C	S	.	.	H	α-helix	trans	-58.2	-45	176.3	-167.7	168	-169.5	152.7	0	111.7	Y415 Q416 K421 R422 L423 E499	Y415-K419 HydrophobicContact CE1-CD 4.47Å; Y415-K419 PolarHBondContact O-N 3.49Å; Q416-K419 PolarHBondContact O-N 2.98Å; K419-K421 PolarHBondContact O-N 3.11Å; K419-R422 WeakPolarHBondContact O-CB 3.46Å; K419-R422 PolarHBondContact O-N 3.41Å; K419-L423 WeakPolarHBondContact O-CG 3.38Å; K419-L423 PolarHBondContact O-N 3.28Å; K419-E499 IonicContact NZ-OE1 2.93Å; K419-E499 PolarHBondContact NZ-OE1 3.1Å; K419-E499 IonicContact NZ-OE2 2.88Å; K419-E499 PolarHBondContact NZ-OE2 2.99Å
420	K	97.3	Very high	95.2	Very high	124 Å²	124	78.1 Å²	78.1	54%	0.539	39%	0.386	S	S	.	.	H	α-helix	trans	-61	-43.7	173.8	-72.3	170.8	-174	171.1	0	112.1	Q416 N417 L418 L423 K424	Q416-K420 WeakPolarHBondContact O-CG 3.38Å; Q416-K420 PolarHBondContact O-N 3.37Å; N417-K420 PolarHBondContact O-N 2.71Å; L418-K420 PolarHBondContact O-N 3.48Å; K420-L423 PolarHBondContact O-N 3Å; K420-K424 WeakPolarHBondContact O-CG 3.49Å; K420-K424 PolarHBondContact O-N 2.93Å; K420-K424 VanDerWaalsContact O-N 3.08Å
421	K	96.6	Very high	94.8	Very high	129 Å²	129	81.5 Å²	81.5	56%	0.561	40%	0.396	S	S	*	.	H	α-helix	trans	-61.9	-44.2	176	-73.8	173.4	-178.1	175.9	0	111.4	N417 L418 K419 K424 K425 I474	N417-K421 WeakPolarHBondContact O-CG 3.33Å; N417-K421 PolarHBondContact O-N 3.12Å; L418-K421 WeakPolarHBondContact O-CB 3.44Å; L418-K421 PolarHBondContact O-N 2.75Å; L418-K421 VanDerWaalsContact O-N 3.12Å; K419-K421 PolarHBondContact O-N 3.11Å; K421-K424 PolarHBondContact O-N 3.41Å; K421-K425 PolarHBondContact O-N 3.15Å; K421-I474 HydrophobicContact CB-CG2 3.93Å; K421-I474 HydrophobicContact CD-CG2 4.37Å
422	R	96.4	Very high	94.5	Very high	16 Å²	16	83.6 Å²	83.6	6%	0.06	42%	0.417	C	S	.	.	H	α-helix	trans	-56.3	-51.7	174.9	-176	-167.7	64.7	-172.2	16.8	111.3	L418 K419 K424 K425 A426 W433 D467 L470 N471 I474	L418-R422 PolarHBondContact O-N 3.49Å; K419-R422 WeakPolarHBondContact O-CB 3.46Å; K419-R422 PolarHBondContact O-N 3.41Å; R422-K424 VanDerWaalsContact C-N 3.34Å; R422-K424 PolarHBondContact O-N 3.19Å; R422-K425 PolarHBondContact O-N 3.03Å; R422-K425 VanDerWaalsContact O-N 3.13Å; R422-A426 WeakPolarHBondContact O-CB 3.47Å; R422-A426 PolarHBondContact O-N 3.11Å; R422-W433 HydrophobicContact CG-CZ2 4.12Å; R422-D467 IonicContact CZ-OD1 3.29Å; R422-D467 IonicContact CZ-OD2 2.93Å; R422-D467 VanDerWaalsContact NH1-C 3.34Å; R422-D467 VanDerWaalsContact NH1-CB 3.27Å; R422-D467 PolarHBondContact NH1-O 3.26Å; R422-D467 IonicContact NH1-OD1 3.86Å; R422-D467 IonicContact NH1-OD2 3.39Å; R422-D467 PolarHBondContact NH1-OD2 3.39Å; R422-D467 IonicContact NH2-OD1 3.72Å; R422-D467 IonicContact NH2-OD2 2.71Å; R422-D467 PolarHBondContact NH2-OD2 3.37Å; R422-L470 VanDerWaalsContact CD-CB 3.42Å; R422-L470 HydrophobicContact CG-CB 4.25Å; R422-N471 WeakPolarHBondContact CD-OD1 3.32Å; R422-N471 PolarHBondContact NE-OD1 3.31Å; R422-N471 PolarHBondContact NH1-ND2 2.81Å; R422-N471 PolarHBondContact NH1-OD1 3.28Å; R422-N471 VanDerWaalsContact NH1-OD1 3.12Å; R422-I474 HydrophobicContact CB-CG1 3.92Å; R422-I474 HydrophobicContact CG-CG1 4.36Å
423	L	94.7	Very high	94.3	Very high	93 Å²	93	78.8 Å²	78.8	49%	0.487	40%	0.396	S	S	.	.	H	α-helix	trans	-61.2	-40.7	-179.1	-68.4	173	0	0	0	112.2	K419 K420 K425 A426 N427	K419-L423 WeakPolarHBondContact O-CG 3.38Å; K419-L423 PolarHBondContact O-N 3.28Å; K420-L423 PolarHBondContact O-N 3Å; L423-K425 PolarHBondContact O-N 3.43Å; L423-A426 PolarHBondContact O-N 3.28Å; L423-N427 PolarHBondContact O-N 3.36Å
424	K	94.5	Very high	94.1	Very high	161 Å²	161	79.7 Å²	79.7	70%	0.7	39%	0.393	S	S	*	.	H	α-helix	trans	-61.3	-43.1	173.7	-72.8	179.7	-179.8	-176	0	112	K420 K421 R422 N427	K420-K424 WeakPolarHBondContact O-CG 3.49Å; K420-K424 PolarHBondContact O-N 2.93Å; K420-K424 VanDerWaalsContact O-N 3.08Å; K421-K424 PolarHBondContact O-N 3.41Å; R422-K424 VanDerWaalsContact C-N 3.34Å; R422-K424 PolarHBondContact O-N 3.19Å; K424-N427 PolarHBondContact O-N 3Å
425	K	92.3	Very high	93.8	Very high	77 Å²	77	78.4 Å²	78.4	34%	0.335	39%	0.393	S	S	.	.	H	α-helix	trans	-67.5	-37.2	178.3	-166.1	177	-173.6	179.4	0	112.4	K421 R422 L423 N427 Q428 P429 W433 I474	K421-K425 PolarHBondContact O-N 3.15Å; R422-K425 PolarHBondContact O-N 3.03Å; R422-K425 VanDerWaalsContact O-N 3.13Å; L423-K425 PolarHBondContact O-N 3.43Å; K425-N427 VanDerWaalsContact C-N 3.27Å; K425-N427 PolarHBondContact O-N 3.24Å; K425-Q428 CarbonylContact O-C 3.52Å; K425-Q428 PolarHBondContact O-N 3.22Å; K425-Q428 VanDerWaalsContact O-N 3.16Å; K425-P429 WeakPolarHBondContact O-CA 3.39Å; K425-W433 HydrophobicContact CD-CD2 3.68Å; K425-W433 HydrophobicContact CD-CE3 3.7Å; K425-W433 HydrophobicContact CD-CG 4.17Å; K425-W433 HydrophobicContact CD-CH2 4.44Å; K425-W433 HydrophobicContact CD-CZ2 4.45Å; K425-W433 HydrophobicContact CD-CZ3 4.09Å; K425-W433 VanDerWaalsContact CE-CE3 3.42Å; K425-W433 HydrophobicContact CG-CD2 4.15Å; K425-W433 HydrophobicContact CG-CG 4.22Å; K425-I474 HydrophobicContact CB-CD1 4.45Å; K425-I474 HydrophobicContact CD-CD1 3.47Å; K425-I474 VanDerWaalsContact CD-CD1 3.47Å
426	A	90.7	Very high	93.6	Very high	39 Å²	39	79.5 Å²	79.5	32%	0.322	40%	0.399	S	S	.	.	H	α-helix	trans	-64.2	-29	177.4	0	0	0	0	0	113	R422 L423 Q428 P429	R422-A426 WeakPolarHBondContact O-CB 3.47Å; R422-A426 PolarHBondContact O-N 3.11Å; L423-A426 PolarHBondContact O-N 3.28Å; A426-Q428 VanDerWaalsContact C-N 3.29Å; A426-Q428 PolarHBondContact O-N 3.43Å; A426-P429 WeakPolarHBondContact O-CD 3.16Å
427	N	90.5	Very high	93.4	Very high	136 Å²	136	78.7 Å²	78.7	73%	0.727	40%	0.395	S	S	*	.	H	α-helix	trans	-70.3	-23.7	175.2	-70.6	-21.8	0	0	0	113.4	L423 K424 K425	L423-N427 PolarHBondContact O-N 3.36Å; K424-N427 PolarHBondContact O-N 3Å; K425-N427 VanDerWaalsContact C-N 3.27Å; K425-N427 PolarHBondContact O-N 3.24Å
428	Q	88.4	Confident	93.2	Very high	172 Å²	172	80.6 Å²	80.6	80%	0.804	40%	0.402	S	S	*	.	S	Bend	trans	-137.6	67.4	179	-63.6	-176.1	12.1	0	0	110.4	K425 A426 S430	K425-Q428 CarbonylContact O-C 3.52Å; K425-Q428 PolarHBondContact O-N 3.22Å; K425-Q428 VanDerWaalsContact O-N 3.16Å; A426-Q428 VanDerWaalsContact C-N 3.29Å; A426-Q428 PolarHBondContact O-N 3.43Å; Q428-S430 PolarHBondContact O-N 3.07Å
429	P	85.3	Confident	93	Very high	31 Å²	31	82.6 Å²	82.6	20%	0.201	42%	0.417	C	S	.	.			trans	-76.7	128.9	-168.1	28.6	-29.4	0	0	0	110.4	K425 A426 R434	K425-P429 WeakPolarHBondContact O-CA 3.39Å; A426-P429 WeakPolarHBondContact O-CD 3.16Å; P429-R434 HydrophobicContact CB-CG 3.97Å; P429-R434 HydrophobicContact CG-CG 4.25Å; P429-R434 PolarHBondContact O-NH1 3.38Å; P429-R434 PolarHBondContact O-NH2 2.82Å
430	S	92	Very high	92.9	Very high	59 Å²	59	80.3 Å²	80.3	41%	0.413	41%	0.407	S	S	.	.			trans	-68.5	163.7	168.7	71.9	0	0	0	0	110.6	Q428 A432 W433 R434	Q428-S430 PolarHBondContact O-N 3.07Å; S430-A432 VanDerWaalsContact C-N 3.25Å; S430-A432 PolarHBondContact O-N 3.19Å; S430-W433 PolarHBondContact O-N 3.37Å; S430-W433 PolarHBondContact OG-N 2.97Å; S430-R434 PolarHBondContact O-N 3.13Å; S430-R434 VanDerWaalsContact O-N 3.1Å; S430-R434 PolarHBondContact O-NH1 2.98Å
431	K	91.2	Very high	92.8	Very high	176 Å²	176	77.2 Å²	77.2	77%	0.765	40%	0.396	S	S	*	.	H	α-helix	trans	-57.2	-41.6	174.5	-174.5	178.4	178.6	-179.5	0	111.4	W433 R434 C435	K431-W433 PolarHBondContact O-N 3.22Å; K431-R434 PolarHBondContact O-N 2.83Å; K431-C435 PolarHBondContact O-N 3.46Å; K431-C435 PolarHBondContact O-SG 3.43Å
432	A	90.1	Very high	92.6	Very high	71 Å²	71	77.6 Å²	77.6	59%	0.587	40%	0.398	S	S	*	.	H	α-helix	trans	-62.8	-41	177.7	0	0	0	0	0	112.4	S430 C435 V436	S430-A432 VanDerWaalsContact C-N 3.25Å; S430-A432 PolarHBondContact O-N 3.19Å; A432-C435 WeakPolarHBondContact O-CB 3.33Å; A432-C435 PolarHBondContact O-N 3.45Å; A432-V436 PolarHBondContact O-N 2.86Å
433	W	94.1	Very high	92.5	Very high	5 Å²	5	77.1 Å²	77.1	2%	0.019	40%	0.396	C	S	.	.	H	α-helix	trans	-65.6	-42.9	177.8	-175.5	-102.1	0	0	0	112.6	R422 K425 S430 K431 C435 V436 E437 L470 A473 I474	R422-W433 HydrophobicContact CG-CZ2 4.12Å; K425-W433 HydrophobicContact CD-CD2 3.68Å; K425-W433 HydrophobicContact CD-CE3 3.7Å; K425-W433 HydrophobicContact CD-CG 4.17Å; K425-W433 HydrophobicContact CD-CH2 4.44Å; K425-W433 HydrophobicContact CD-CZ2 4.45Å; K425-W433 HydrophobicContact CD-CZ3 4.09Å; K425-W433 VanDerWaalsContact CE-CE3 3.42Å; K425-W433 HydrophobicContact CG-CD2 4.15Å; K425-W433 HydrophobicContact CG-CG 4.22Å; S430-W433 PolarHBondContact O-N 3.37Å; S430-W433 PolarHBondContact OG-N 2.97Å; K431-W433 PolarHBondContact O-N 3.22Å; W433-C435 PolarHBondContact O-N 3.37Å; W433-V436 HydrophobicContact CZ3-CG1 4.46Å; W433-V436 WeakPolarHBondContact O-CB 3.42Å; W433-V436 PolarHBondContact O-N 2.87Å; W433-E437 VanDerWaalsContact CD1-CD 3.42Å; W433-E437 PolarHBondContact NE1-OE1 3.19Å; W433-E437 PolarHBondContact O-N 3.29Å; W433-L470 HydrophobicContact CH2-CD2 4.24Å; W433-L470 HydrophobicContact CZ2-CD2 3.96Å; W433-A473 HydrophobicContact CH2-CB 4.17Å; W433-A473 HydrophobicContact CZ3-CB 3.91Å; W433-I474 HydrophobicContact CE3-CD1 4.45Å; W433-I474 HydrophobicContact CH2-CD1 3.43Å; W433-I474 VanDerWaalsContact CH2-CD1 3.43Å; W433-I474 HydrophobicContact CH2-CG1 3.76Å; W433-I474 HydrophobicContact CZ2-CD1 4.13Å; W433-I474 HydrophobicContact CZ3-CD1 3.61Å; W433-I474 HydrophobicContact CZ3-CG1 4.27Å
434	R	94	Very high	92.5	Very high	116 Å²	116	72.9 Å²	72.9	44%	0.438	38%	0.375	S	S	.	.	H	α-helix	trans	-58.7	-36.8	174.9	-68.2	-170.7	-169.7	79.5	-2.7	112.2	P429 S430 K431 E437 Q438	P429-R434 HydrophobicContact CB-CG 3.97Å; P429-R434 HydrophobicContact CG-CG 4.25Å; P429-R434 PolarHBondContact O-NH1 3.38Å; P429-R434 PolarHBondContact O-NH2 2.82Å; S430-R434 PolarHBondContact O-N 3.13Å; S430-R434 VanDerWaalsContact O-N 3.1Å; S430-R434 PolarHBondContact O-NH1 2.98Å; K431-R434 PolarHBondContact O-N 2.83Å; R434-E437 PolarHBondContact O-N 3.08Å; R434-Q438 WeakPolarHBondContact O-CB 3.45Å; R434-Q438 WeakPolarHBondContact O-CG 3.45Å; R434-Q438 PolarHBondContact O-N 3.38Å
435	C	93.1	Very high	92.4	Very high	58 Å²	58	69.4 Å²	69.4	39%	0.392	37%	0.366	S	S	.	.	H	α-helix	trans	-63.8	-41.6	175	-64.7	0	0	0	0	111.8	K431 A432 W433 Q438 S439	K431-C435 PolarHBondContact O-N 3.46Å; K431-C435 PolarHBondContact O-SG 3.43Å; A432-C435 WeakPolarHBondContact O-CB 3.33Å; A432-C435 PolarHBondContact O-N 3.45Å; W433-C435 PolarHBondContact O-N 3.37Å; C435-Q438 PolarHBondContact O-N 2.86Å; C435-S439 WeakPolarHBondContact O-CB 3.31Å; C435-S439 PolarHBondContact O-N 3.09Å; C435-S439 PolarHBondContact O-OG 2.57Å
436	V	92.5	Very high	92.3	Very high	24 Å²	24	70.2 Å²	70.2	15%	0.145	37%	0.367	C	S	.	.	H	α-helix	trans	-62.3	-48	175.9	171.6	0	0	0	0	110.8	A432 W433 Q438 S439 I440 A473 A480	A432-V436 PolarHBondContact O-N 2.86Å; W433-V436 HydrophobicContact CZ3-CG1 4.46Å; W433-V436 WeakPolarHBondContact O-CB 3.42Å; W433-V436 PolarHBondContact O-N 2.87Å; V436-Q438 PolarHBondContact O-N 3.28Å; V436-S439 PolarHBondContact O-N 3.35Å; V436-I440 HydrophobicContact CG1-CD1 3.84Å; V436-I440 WeakPolarHBondContact O-CG1 3.09Å; V436-I440 PolarHBondContact O-N 3.15Å; V436-A473 HydrophobicContact CG1-CB 3.86Å; V436-A480 HydrophobicContact CG2-CB 4.12Å
437	E	95.4	Very high	92.4	Very high	36 Å²	36	68.4 Å²	68.4	17%	0.168	35%	0.352	C	S	.	.	H	α-helix	trans	-56.5	-48.9	176.4	-70.8	175.9	143.4	0	0	111.4	W433 R434 S439 I440 D441 L470	W433-E437 VanDerWaalsContact CD1-CD 3.42Å; W433-E437 PolarHBondContact NE1-OE1 3.19Å; W433-E437 PolarHBondContact O-N 3.29Å; R434-E437 PolarHBondContact O-N 3.08Å; E437-S439 PolarHBondContact O-N 2.87Å; E437-I440 PolarHBondContact O-N 2.95Å; E437-D441 WeakPolarHBondContact O-CB 3.34Å; E437-D441 PolarHBondContact O-N 3Å; E437-L470 HydrophobicContact CG-CD2 3.76Å
438	Q	94.4	Very high	92.4	Very high	113 Å²	113	63 Å²	63	53%	0.528	32%	0.323	S	S	.	.	H	α-helix	trans	-62.9	-38.6	178.8	-72.9	171.1	-2.6	0	0	113.1	R434 C435 V436 K442	R434-Q438 WeakPolarHBondContact O-CB 3.45Å; R434-Q438 WeakPolarHBondContact O-CG 3.45Å; R434-Q438 PolarHBondContact O-N 3.38Å; C435-Q438 PolarHBondContact O-N 2.86Å; V436-Q438 PolarHBondContact O-N 3.28Å; Q438-K442 VanDerWaalsContact O-CG 3.29Å; Q438-K442 WeakPolarHBondContact O-CG 3.18Å; Q438-K442 PolarHBondContact O-N 3.5Å; Q438-K442 VanDerWaalsContact O-N 3.08Å
439	S	91.7	Very high	92.6	Very high	50 Å²	50	58.4 Å²	58.4	35%	0.35	30%	0.299	S	S	.	.	H	α-helix	trans	-65.9	-42.7	176.3	-74.6	0	0	0	0	111.8	C435 V436 E437 D443	C435-S439 WeakPolarHBondContact O-CB 3.31Å; C435-S439 PolarHBondContact O-N 3.09Å; C435-S439 PolarHBondContact O-OG 2.57Å; V436-S439 PolarHBondContact O-N 3.35Å; E437-S439 PolarHBondContact O-N 2.87Å; S439-D443 PolarHBondContact O-N 2.88Å
440	I	95.6	Very high	92.7	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.9	-47.2	174.9	-69.3	166.8	0	0	0	110.2	V436 E437 K442 D443 V444 R466 L469 L470 Y481	V436-I440 HydrophobicContact CG1-CD1 3.84Å; V436-I440 WeakPolarHBondContact O-CG1 3.09Å; V436-I440 PolarHBondContact O-N 3.15Å; E437-I440 PolarHBondContact O-N 2.95Å; I440-K442 VanDerWaalsContact C-N 3.28Å; I440-K442 PolarHBondContact O-N 3.02Å; I440-D443 PolarHBondContact O-N 2.89Å; I440-D443 VanDerWaalsContact O-N 3.15Å; I440-V444 HydrophobicContact CG2-CG2 3.78Å; I440-V444 WeakPolarHBondContact O-CB 3.41Å; I440-V444 VanDerWaalsContact O-CG2 3.29Å; I440-V444 WeakPolarHBondContact O-CG2 3.5Å; I440-V444 PolarHBondContact O-N 3.03Å; I440-R466 HydrophobicContact CG2-CB 4.47Å; I440-R466 HydrophobicContact CG2-CG 4.01Å; I440-L469 HydrophobicContact CD1-CB 3.95Å; I440-L469 HydrophobicContact CG1-CB 4.21Å; I440-L469 HydrophobicContact CG2-CB 4.04Å; I440-L469 HydrophobicContact CG2-CD1 4.02Å; I440-L470 HydrophobicContact CD1-CD2 3.59Å; I440-L470 HydrophobicContact CD1-CG 3.96Å; I440-Y481 HydrophobicContact CD1-CD2 4.02Å; I440-Y481 HydrophobicContact CD1-CG 4.03Å; I440-Y481 HydrophobicContact CG1-CD1 3.74Å; I440-Y481 HydrophobicContact CG1-CD2 3.43Å; I440-Y481 VanDerWaalsContact CG1-CD2 3.43Å; I440-Y481 HydrophobicContact CG1-CE1 4.07Å; I440-Y481 HydrophobicContact CG1-CE2 3.77Å; I440-Y481 HydrophobicContact CG1-CG 3.41Å; I440-Y481 VanDerWaalsContact CG1-CG 3.41Å
441	D	95.5	Very high	92.7	Very high	59 Å²	59	62.8 Å²	62.8	32%	0.316	31%	0.312	S	S	.	.	H	α-helix	trans	-58	-41.1	-178.7	-70.7	-19.5	0	0	0	111.5	E437 V445 R466	E437-D441 WeakPolarHBondContact O-CB 3.34Å; E437-D441 PolarHBondContact O-N 3Å; D441-V445 VanDerWaalsContact O-CG1 3.32Å; D441-V445 WeakPolarHBondContact O-CG1 3.48Å; D441-V445 VanDerWaalsContact O-CG2 3.32Å; D441-V445 WeakPolarHBondContact O-CG2 3.35Å; D441-V445 PolarHBondContact O-N 2.94Å; D441-R466 IonicContact OD1-CZ 3.07Å; D441-R466 IonicContact OD1-NE 2.69Å; D441-R466 PolarHBondContact OD1-NE 3.44Å; D441-R466 IonicContact OD1-NH2 3.99Å; D441-R466 PolarHBondContact OD1-NH2 3.43Å; D441-R466 IonicContact OD2-NH2 3.43Å
442	K	92.6	Very high	92.8	Very high	137 Å²	137	60.3 Å²	60.3	60%	0.596	32%	0.315	S	S	*	.	H	α-helix	trans	-64.9	-40.2	176.8	-76.8	176.2	178.4	-172.3	0	113.5	Q438 I440 V445 R446	Q438-K442 VanDerWaalsContact O-CG 3.29Å; Q438-K442 WeakPolarHBondContact O-CG 3.18Å; Q438-K442 PolarHBondContact O-N 3.5Å; Q438-K442 VanDerWaalsContact O-N 3.08Å; I440-K442 VanDerWaalsContact C-N 3.28Å; I440-K442 PolarHBondContact O-N 3.02Å; K442-V445 WeakPolarHBondContact O-CG2 3.36Å; K442-R446 WeakPolarHBondContact O-CG 3.44Å
443	D	93	Very high	93.1	Very high	6 Å²	6	58.8 Å²	58.8	3%	0.032	30%	0.295	C	S	.	.	H	α-helix	trans	-78.1	-44.4	-176.4	-85.3	6	0	0	0	112	S439 I440 V445 R446 T447 Y481 Q483 G484	S439-D443 PolarHBondContact O-N 2.88Å; I440-D443 PolarHBondContact O-N 2.89Å; I440-D443 VanDerWaalsContact O-N 3.15Å; D443-V445 VanDerWaalsContact C-N 3.33Å; D443-V445 PolarHBondContact O-N 3.41Å; D443-R446 VanDerWaalsContact CG-NH2 3.31Å; D443-R446 WeakPolarHBondContact O-CG 3.45Å; D443-R446 PolarHBondContact O-N 3.4Å; D443-R446 IonicContact OD1-CZ 3.5Å; D443-R446 IonicContact OD1-NE 3.31Å; D443-R446 PolarHBondContact OD1-NE 2.91Å; D443-R446 IonicContact OD1-NH2 2.8Å; D443-R446 PolarHBondContact OD1-NH2 3.35Å; D443-R446 IonicContact OD2-NH2 3.38Å; D443-T447 PolarHBondContact O-N 3.48Å; D443-T447 PolarHBondContact O-OG1 3.04Å; D443-Y481 HydrophobicContact CB-CE1 4.47Å; D443-Y481 WeakPolarHBondContact CB-OH 3.2Å; D443-Y481 VanDerWaalsContact CG-OH 3.24Å; D443-Y481 PolarHBondContact OD2-OH 2.73Å; D443-Q483 WeakPolarHBondContact OD2-CA 3.17Å; D443-Q483 WeakPolarHBondContact OD2-CG 3.21Å; D443-G484 PolarHBondContact OD2-N 2.83Å; D443-G484 VanDerWaalsContact OD2-N 3.09Å
444	V	94.7	Very high	93.2	Very high	5 Å²	5	58.7 Å²	58.7	3%	0.03	29%	0.294	C	S	.	.	H	α-helix	trans	-64.1	-36.7	-176.5	169.6	0	0	0	0	112.1	I440 R446 V462 M465 R466 L469	I440-V444 HydrophobicContact CG2-CG2 3.78Å; I440-V444 WeakPolarHBondContact O-CB 3.41Å; I440-V444 VanDerWaalsContact O-CG2 3.29Å; I440-V444 WeakPolarHBondContact O-CG2 3.5Å; I440-V444 PolarHBondContact O-N 3.03Å; V444-R446 PolarHBondContact O-N 2.86Å; V444-V462 HydrophobicContact CG1-CB 4.45Å; V444-V462 HydrophobicContact CG1-CG1 3.41Å; V444-V462 VanDerWaalsContact CG1-CG1 3.41Å; V444-V462 WeakPolarHBondContact CG1-O 3.44Å; V444-M465 HydrophobicContact CB-SD 4.45Å; V444-M465 HydrophobicContact CG1-CB 4.36Å; V444-M465 HydrophobicContact CG1-SD 4.23Å; V444-M465 HydrophobicContact CG2-CG 4.12Å; V444-M465 HydrophobicContact CG2-SD 4Å; V444-R466 HydrophobicContact CG1-CB 4.2Å; V444-R466 HydrophobicContact CG2-CB 4.42Å; V444-L469 HydrophobicContact CG2-CD1 3.65Å
445	V	92.4	Very high	93.2	Very high	87 Å²	87	55 Å²	55	53%	0.527	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-22.8	179.7	-64.8	0	0	0	0	113.6	D441 K442 D443 R449	D441-V445 VanDerWaalsContact O-CG1 3.32Å; D441-V445 WeakPolarHBondContact O-CG1 3.48Å; D441-V445 VanDerWaalsContact O-CG2 3.32Å; D441-V445 WeakPolarHBondContact O-CG2 3.35Å; D441-V445 PolarHBondContact O-N 2.94Å; K442-V445 WeakPolarHBondContact O-CG2 3.36Å; D443-V445 VanDerWaalsContact C-N 3.33Å; D443-V445 PolarHBondContact O-N 3.41Å; V445-R449 WeakPolarHBondContact O-CD 3.4Å; V445-R449 WeakPolarHBondContact O-CG 3.49Å; V445-R449 PolarHBondContact O-NH1 3.02Å
446	R	90.8	Very high	93.1	Very high	94 Å²	94	54.6 Å²	54.6	36%	0.355	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-12.6	-178.4	66	-178.5	-175.2	83.9	2.9	114	K442 D443 V444 D448	K442-R446 WeakPolarHBondContact O-CG 3.44Å; D443-R446 VanDerWaalsContact CG-NH2 3.31Å; D443-R446 WeakPolarHBondContact O-CG 3.45Å; D443-R446 PolarHBondContact O-N 3.4Å; D443-R446 IonicContact OD1-CZ 3.5Å; D443-R446 IonicContact OD1-NE 3.31Å; D443-R446 PolarHBondContact OD1-NE 2.91Å; D443-R446 IonicContact OD1-NH2 2.8Å; D443-R446 PolarHBondContact OD1-NH2 3.35Å; D443-R446 IonicContact OD2-NH2 3.38Å; V444-R446 PolarHBondContact O-N 2.86Å; R446-D448 PolarHBondContact O-N 3.37Å
447	T	92.1	Very high	93.1	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.006	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	124.7	-177	-71.5	0	0	0	0	112.2	D443 R449 M465 S486 D487	D443-T447 PolarHBondContact O-N 3.48Å; D443-T447 PolarHBondContact O-OG1 3.04Å; T447-R449 WeakPolarHBondContact O-CD 3.43Å; T447-R449 PolarHBondContact O-N 3.1Å; T447-M465 HydrophobicContact CG2-CE 3.91Å; T447-M465 HydrophobicContact CG2-SD 4.07Å; T447-S486 WeakPolarHBondContact OG1-CB 3.37Å; T447-S486 PolarHBondContact OG1-OG 3.37Å; T447-D487 PolarHBondContact OG1-OD1 3.32Å
448	D	91.8	Very high	92.8	Very high	22 Å²	22	64.8 Å²	64.8	12%	0.118	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.8	36.6	168.1	-69.5	-18.8	0	0	0	115.1	R446 D450 K451 Y454 S490 K569	R446-D448 PolarHBondContact O-N 3.37Å; D448-D450 PolarHBondContact O-N 3.2Å; D448-K451 HydrophobicContact CB-CB 4.45Å; D448-K451 HydrophobicContact CB-CG 3.82Å; D448-K451 VanDerWaalsContact O-CB 3.29Å; D448-K451 WeakPolarHBondContact O-CB 3.35Å; D448-K451 PolarHBondContact O-N 3.42Å; D448-Y454 HydrophobicContact CB-CD2 3.89Å; D448-Y454 HydrophobicContact CB-CE2 4.37Å; D448-S490 WeakPolarHBondContact OD2-CB 3.44Å; D448-S490 PolarHBondContact OD2-OG 2.85Å; D448-K569 VanDerWaalsContact CG-NZ 3.33Å; D448-K569 IonicContact OD1-NZ 3.82Å; D448-K569 PolarHBondContact OD1-NZ 3.02Å; D448-K569 IonicContact OD2-NZ 3.74Å; D448-K569 PolarHBondContact OD2-NZ 3.45Å
449	R	92.8	Very high	92.9	Very high	77 Å²	77	60.5 Å²	60.5	29%	0.291	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-15.3	-177.4	-57.7	-54	-62.7	-85.4	0.6	113.7	V445 T447 K451 Y454 G456	V445-R449 WeakPolarHBondContact O-CD 3.4Å; V445-R449 WeakPolarHBondContact O-CG 3.49Å; V445-R449 PolarHBondContact O-NH1 3.02Å; T447-R449 WeakPolarHBondContact O-CD 3.43Å; T447-R449 PolarHBondContact O-N 3.1Å; R449-K451 VanDerWaalsContact C-N 3.26Å; R449-Y454 PolarHBondContact NE-O 3.21Å; R449-G456 PolarHBondContact NH2-O 3.42Å
450	D	88	Confident	93.1	Very high	112 Å²	112	62.6 Å²	62.6	60%	0.599	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-20.2	168.6	66.7	-61.4	0	0	0	112.6	D448	D448-D450 PolarHBondContact O-N 3.2Å
451	K	90.4	Very high	93.2	Very high	69 Å²	69	64.6 Å²	64.6	30%	0.3	37%	0.365	S	S	.	.	S	Bend	trans	-82.5	135.1	-178.8	-55.8	-57.3	-179.8	-143.3	0	111.1	D448 R449 F453 Y454 A455	D448-K451 HydrophobicContact CB-CB 4.45Å; D448-K451 HydrophobicContact CB-CG 3.82Å; D448-K451 VanDerWaalsContact O-CB 3.29Å; D448-K451 WeakPolarHBondContact O-CB 3.35Å; D448-K451 PolarHBondContact O-N 3.42Å; R449-K451 VanDerWaalsContact C-N 3.26Å; K451-F453 PolarHBondContact O-N 3.42Å; K451-Y454 HydrophobicContact CB-CD2 4.48Å; K451-Y454 PolarHBondContact O-N 2.96Å; K451-A455 WeakPolarHBondContact O-CB 3.07Å; K451-A455 PolarHBondContact O-N 2.96Å
452	P	94.1	Very high	93.2	Very high	125 Å²	125	62.5 Å²	62.5	81%	0.812	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-32	178.6	-28.9	35.2	0	0	0	114.6	Y454	P452-Y454 PolarHBondContact O-N 3.45Å
453	F	95.9	Very high	93.4	Very high	38 Å²	38	61 Å²	61	17%	0.167	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-31.9	-178.7	-172.1	-101.7	0	0	0	113.6	K451 N459 N461 L493 A494 H497	K451-F453 PolarHBondContact O-N 3.42Å; F453-N459 PolarHBondContact O-ND2 3.46Å; F453-N461 HydrophobicContact CD1-CB 4.23Å; F453-N461 HydrophobicContact CE1-CB 3.73Å; F453-N461 WeakPolarHBondContact CE2-ND2 3.36Å; F453-N461 HydrophobicContact CZ-CB 3.98Å; F453-N461 PolarHBondContact O-ND2 3.44Å; F453-L493 HydrophobicContact CE1-CD2 4.43Å; F453-L493 HydrophobicContact CE1-CG 3.99Å; F453-L493 HydrophobicContact CZ-CG 4.28Å; F453-A494 HydrophobicContact CD1-CB 3.83Å; F453-A494 HydrophobicContact CE1-CB 4.14Å; F453-A494 HydrophobicContact CG-CB 4.16Å; F453-H497 AromaticContact CD2-CE1 3.95Å; F453-H497 AromaticContact CE2-CE1 3.45Å; F453-H497 VanDerWaalsContact CE2-CE1 3.45Å; F453-H497 WeakPolarHBondContact CE2-CE1 3.29Å; F453-H497 AromaticContact CE2-ND1 3.37Å; F453-H497 WeakPolarHBondContact CE2-ND1 3.41Å
454	Y	96.6	Very high	93.6	Very high	3 Å²	3	62.3 Å²	62.3	1%	0.012	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-3.7	-179.9	-57.5	-66.2	0	0	0	113.9	D448 R449 K451 P452 N459 N461 V462 M465 S490 L493 A494	D448-Y454 HydrophobicContact CB-CD2 3.89Å; D448-Y454 HydrophobicContact CB-CE2 4.37Å; R449-Y454 PolarHBondContact NE-O 3.21Å; K451-Y454 HydrophobicContact CB-CD2 4.48Å; K451-Y454 PolarHBondContact O-N 2.96Å; P452-Y454 PolarHBondContact O-N 3.45Å; Y454-N459 VanDerWaalsContact C-ND2 3.26Å; Y454-N459 WeakPolarHBondContact CA-ND2 3.45Å; Y454-N461 HydrophobicContact CD1-CB 4.07Å; Y454-N461 HydrophobicContact CE1-CB 4.12Å; Y454-V462 HydrophobicContact CD1-CG2 4.17Å; Y454-M465 HydrophobicContact CD1-CE 4.06Å; Y454-M465 HydrophobicContact CE1-CE 3.38Å; Y454-M465 HydrophobicContact CE2-CE 4.1Å; Y454-S490 WeakPolarHBondContact CE2-OG 3.39Å; Y454-S490 WeakPolarHBondContact OH-CA 3.44Å; Y454-S490 PolarHBondContact OH-O 3.24Å; Y454-L493 HydrophobicContact CE1-CD2 4.21Å; Y454-L493 WeakPolarHBondContact OH-CB 3.36Å; Y454-A494 HydrophobicContact CE2-CB 4.43Å
455	A	94.1	Very high	93.8	Very high	40 Å²	40	62.1 Å²	62.1	33%	0.331	36%	0.356	S	S	.	.			trans	-65.6	153.8	-179.2	0	0	0	0	0	112.7	K451 N459	K451-A455 WeakPolarHBondContact O-CB 3.07Å; K451-A455 PolarHBondContact O-N 2.96Å; A455-N459 PolarHBondContact O-ND2 3.25Å
456	G	92	Very high	94.1	Very high	49 Å²	49	60.6 Å²	60.6	51%	0.505	34%	0.341	S	S	.	.	S	Bend	trans	89.7	148.8	175.4	0	0	0	0	0	114.7	R449	R449-G456 PolarHBondContact NH2-O 3.42Å
457	E	90.7	Very high	94.4	Very high	198 Å²	198	57.8 Å²	57.8	93%	0.925	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	141.9	177.1	-67.1	-174.7	172.5	0	0	111.6	N459	E457-N459 PolarHBondContact O-N 3.08Å
458	G	90.5	Very high	94.7	Very high	76 Å²	76	57.8 Å²	57.8	78%	0.784	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	20.5	178.6	0	0	0	0	0	115
459	N	95.2	Very high	95	Very high	22 Å²	22	56.7 Å²	56.7	12%	0.118	33%	0.327	C	S	.	.			trans	-59.4	124	-178.3	-177.2	-43.8	0	0	0	111.3	F453 Y454 A455 E457 N461 V462 M463	F453-N459 PolarHBondContact O-ND2 3.46Å; Y454-N459 VanDerWaalsContact C-ND2 3.26Å; Y454-N459 WeakPolarHBondContact CA-ND2 3.45Å; A455-N459 PolarHBondContact O-ND2 3.25Å; E457-N459 PolarHBondContact O-N 3.08Å; N459-N461 VanDerWaalsContact C-N 3.27Å; N459-N461 PolarHBondContact O-N 3.04Å; N459-N461 WeakPolarHBondContact OD1-CA 3.38Å; N459-N461 VanDerWaalsContact OD1-CB 3.25Å; N459-N461 WeakPolarHBondContact OD1-CB 3.19Å; N459-N461 PolarHBondContact OD1-N 2.93Å; N459-V462 HydrophobicContact CB-CB 4.5Å; N459-V462 HydrophobicContact CB-CG2 3.92Å; N459-V462 WeakPolarHBondContact O-CB 3.36Å; N459-V462 PolarHBondContact O-N 3.37Å; N459-V462 VanDerWaalsContact O-N 3.16Å; N459-M463 PolarHBondContact O-N 2.9Å
460	P	96.7	Very high	95.3	Very high	94 Å²	94	53.2 Å²	53.2	61%	0.61	31%	0.314	S	S	*	.	H	α-helix	trans	-64.9	-28.1	-176.7	26.1	-34.9	0	0	0	113.4	V462 M463 L464	P460-V462 VanDerWaalsContact C-N 3.28Å; P460-V462 PolarHBondContact O-N 3.2Å; P460-M463 WeakPolarHBondContact O-CB 3.39Å; P460-M463 PolarHBondContact O-N 3.29Å; P460-L464 PolarHBondContact O-N 3.46Å
461	N	97.3	Very high	95.7	Very high	43 Å²	43	47.9 Å²	47.9	23%	0.23	29%	0.286	C	S	.	.	H	α-helix	trans	-69	-29.2	177.8	-58.6	-34.5	0	0	0	111.8	F453 Y454 N459 L464 M465	F453-N461 HydrophobicContact CD1-CB 4.23Å; F453-N461 HydrophobicContact CE1-CB 3.73Å; F453-N461 WeakPolarHBondContact CE2-ND2 3.36Å; F453-N461 HydrophobicContact CZ-CB 3.98Å; F453-N461 PolarHBondContact O-ND2 3.44Å; Y454-N461 HydrophobicContact CD1-CB 4.07Å; Y454-N461 HydrophobicContact CE1-CB 4.12Å; N459-N461 VanDerWaalsContact C-N 3.27Å; N459-N461 PolarHBondContact O-N 3.04Å; N459-N461 WeakPolarHBondContact OD1-CA 3.38Å; N459-N461 VanDerWaalsContact OD1-CB 3.25Å; N459-N461 WeakPolarHBondContact OD1-CB 3.19Å; N459-N461 PolarHBondContact OD1-N 2.93Å; N461-L464 PolarHBondContact O-N 3.12Å; N461-M465 WeakPolarHBondContact O-CB 3.38Å; N461-M465 PolarHBondContact O-N 3.37Å
462	V	96.9	Very high	96	Very high	14 Å²	14	45.1 Å²	45.1	9%	0.085	27%	0.273	C	S	.	.	H	α-helix	trans	-66.8	-42	172.5	177	0	0	0	0	109.8	V444 Y454 N459 P460 L464 M465 R466	V444-V462 HydrophobicContact CG1-CB 4.45Å; V444-V462 HydrophobicContact CG1-CG1 3.41Å; V444-V462 VanDerWaalsContact CG1-CG1 3.41Å; V444-V462 WeakPolarHBondContact CG1-O 3.44Å; Y454-V462 HydrophobicContact CD1-CG2 4.17Å; N459-V462 HydrophobicContact CB-CB 4.5Å; N459-V462 HydrophobicContact CB-CG2 3.92Å; N459-V462 WeakPolarHBondContact O-CB 3.36Å; N459-V462 PolarHBondContact O-N 3.37Å; N459-V462 VanDerWaalsContact O-N 3.16Å; P460-V462 VanDerWaalsContact C-N 3.28Å; P460-V462 PolarHBondContact O-N 3.2Å; V462-L464 VanDerWaalsContact C-N 3.35Å; V462-M465 PolarHBondContact O-N 2.67Å; V462-R466 PolarHBondContact O-N 2.84Å; V462-R466 VanDerWaalsContact O-N 3.13Å
463	M	96.3	Very high	96.1	Very high	105 Å²	105	39.2 Å²	39.2	52%	0.517	24%	0.235	S	C	.	.	H	α-helix	trans	-66.7	-36.7	174	-63.7	-56.7	-61.9	0	0	112.3	N459 P460 R466 D467	N459-M463 PolarHBondContact O-N 2.9Å; P460-M463 WeakPolarHBondContact O-CB 3.39Å; P460-M463 PolarHBondContact O-N 3.29Å; M463-R466 WeakPolarHBondContact O-CB 3.26Å; M463-R466 PolarHBondContact O-N 2.99Å; M463-D467 PolarHBondContact O-N 3.39Å
464	L	97.8	Very high	96.1	Very high	35 Å²	35	38.8 Å²	38.8	18%	0.183	23%	0.234	C	C	.	.	H	α-helix	trans	-64.4	-43.5	175.6	-174.2	55.8	0	0	0	112	P460 N461 V462 R466 D467 I468 L493 E499	P460-L464 PolarHBondContact O-N 3.46Å; N461-L464 PolarHBondContact O-N 3.12Å; V462-L464 VanDerWaalsContact C-N 3.35Å; L464-R466 VanDerWaalsContact C-N 3.34Å; L464-R466 PolarHBondContact O-N 3.36Å; L464-D467 PolarHBondContact O-N 3.14Å; L464-I468 HydrophobicContact CD1-CD1 4.47Å; L464-I468 HydrophobicContact CG-CD1 4.22Å; L464-I468 WeakPolarHBondContact O-CG1 3.14Å; L464-I468 PolarHBondContact O-N 3.09Å; L464-L493 HydrophobicContact CB-CD2 4.44Å; L464-L493 HydrophobicContact CD2-CD1 3.8Å; L464-L493 HydrophobicContact CG-CD1 4.18Å; L464-L493 HydrophobicContact CG-CD2 4.33Å; L464-E499 HydrophobicContact CD1-CB 3.85Å; L464-E499 HydrophobicContact CD1-CG 3.58Å
465	M	98.4	Very high	96	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-56.6	-47.9	173.7	-175.8	-172.6	-68.5	0	0	111.4	V444 T447 Y454 N461 V462 D467 I468 L469 L489 L493	V444-M465 HydrophobicContact CB-SD 4.45Å; V444-M465 HydrophobicContact CG1-CB 4.36Å; V444-M465 HydrophobicContact CG1-SD 4.23Å; V444-M465 HydrophobicContact CG2-CG 4.12Å; V444-M465 HydrophobicContact CG2-SD 4Å; T447-M465 HydrophobicContact CG2-CE 3.91Å; T447-M465 HydrophobicContact CG2-SD 4.07Å; Y454-M465 HydrophobicContact CD1-CE 4.06Å; Y454-M465 HydrophobicContact CE1-CE 3.38Å; Y454-M465 HydrophobicContact CE2-CE 4.1Å; N461-M465 WeakPolarHBondContact O-CB 3.38Å; N461-M465 PolarHBondContact O-N 3.37Å; V462-M465 PolarHBondContact O-N 2.67Å; M465-D467 VanDerWaalsContact C-N 3.3Å; M465-D467 PolarHBondContact O-N 3.44Å; M465-I468 PolarHBondContact O-N 2.58Å; M465-L469 HydrophobicContact CG-CD1 4.14Å; M465-L469 WeakPolarHBondContact O-CG 3.39Å; M465-L469 PolarHBondContact O-N 3.1Å; M465-L489 HydrophobicContact CB-CD2 4.47Å; M465-L489 HydrophobicContact CG-CD2 3.67Å; M465-L489 HydrophobicContact CG-CG 4.27Å; M465-L493 HydrophobicContact CB-CD2 3.98Å
466	R	97.8	Very high	95.9	Very high	55 Å²	55	40.9 Å²	40.9	21%	0.208	24%	0.24	C	C	.	.	H	α-helix	trans	-54.9	-47.2	175.4	-178.9	-169.6	-173.3	-82.6	-10.8	111.5	I440 D441 V444 V462 M463 L464 L469 L470	I440-R466 HydrophobicContact CG2-CB 4.47Å; I440-R466 HydrophobicContact CG2-CG 4.01Å; D441-R466 IonicContact OD1-CZ 3.07Å; D441-R466 IonicContact OD1-NE 2.69Å; D441-R466 PolarHBondContact OD1-NE 3.44Å; D441-R466 IonicContact OD1-NH2 3.99Å; D441-R466 PolarHBondContact OD1-NH2 3.43Å; D441-R466 IonicContact OD2-NH2 3.43Å; V444-R466 HydrophobicContact CG1-CB 4.2Å; V444-R466 HydrophobicContact CG2-CB 4.42Å; V462-R466 PolarHBondContact O-N 2.84Å; V462-R466 VanDerWaalsContact O-N 3.13Å; M463-R466 WeakPolarHBondContact O-CB 3.26Å; M463-R466 PolarHBondContact O-N 2.99Å; L464-R466 VanDerWaalsContact C-N 3.34Å; L464-R466 PolarHBondContact O-N 3.36Å; R466-L469 PolarHBondContact O-N 3.23Å; R466-L470 HydrophobicContact CG-CD1 4.07Å; R466-L470 WeakPolarHBondContact O-CG 3.35Å; R466-L470 PolarHBondContact O-N 3.07Å
467	D	97.9	Very high	95.7	Very high	35 Å²	35	42.9 Å²	42.9	19%	0.187	24%	0.244	C	C	.	.	H	α-helix	trans	-65	-42.1	-177.2	-93.7	24.7	0	0	0	112.8	R422 M463 L464 M465 L470 N471	R422-D467 IonicContact CZ-OD1 3.29Å; R422-D467 IonicContact CZ-OD2 2.93Å; R422-D467 VanDerWaalsContact NH1-C 3.34Å; R422-D467 VanDerWaalsContact NH1-CB 3.27Å; R422-D467 PolarHBondContact NH1-O 3.26Å; R422-D467 IonicContact NH1-OD1 3.86Å; R422-D467 IonicContact NH1-OD2 3.39Å; R422-D467 PolarHBondContact NH1-OD2 3.39Å; R422-D467 IonicContact NH2-OD1 3.72Å; R422-D467 IonicContact NH2-OD2 2.71Å; R422-D467 PolarHBondContact NH2-OD2 3.37Å; M463-D467 PolarHBondContact O-N 3.39Å; L464-D467 PolarHBondContact O-N 3.14Å; M465-D467 VanDerWaalsContact C-N 3.3Å; M465-D467 PolarHBondContact O-N 3.44Å; D467-L470 PolarHBondContact O-N 3.02Å; D467-N471 WeakPolarHBondContact O-CB 3.47Å; D467-N471 PolarHBondContact O-N 3.17Å
468	I	98.5	Very high	95.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-47.5	175.1	-68.7	169.7	0	0	0	110.5	L464 M465 L470 N471 Y472 L489 L493 E499 T502 F503	L464-I468 HydrophobicContact CD1-CD1 4.47Å; L464-I468 HydrophobicContact CG-CD1 4.22Å; L464-I468 WeakPolarHBondContact O-CG1 3.14Å; L464-I468 PolarHBondContact O-N 3.09Å; M465-I468 PolarHBondContact O-N 2.58Å; I468-L470 VanDerWaalsContact C-N 3.35Å; I468-L470 PolarHBondContact O-N 3.28Å; I468-N471 PolarHBondContact O-N 3.39Å; I468-Y472 PolarHBondContact O-N 2.85Å; I468-L489 HydrophobicContact CB-CD2 3.93Å; I468-L489 HydrophobicContact CG2-CD1 3.86Å; I468-L489 HydrophobicContact CG2-CD2 3.65Å; I468-L489 HydrophobicContact CG2-CG 4.45Å; I468-L493 HydrophobicContact CD1-CD1 4Å; I468-L493 HydrophobicContact CD1-CD2 4.44Å; I468-E499 HydrophobicContact CG1-CG 4.2Å; I468-T502 HydrophobicContact CD1-CG2 3.91Å; I468-F503 HydrophobicContact CG2-CB 4.32Å; I468-F503 HydrophobicContact CG2-CD2 4.1Å
469	L	97.9	Very high	95	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.5	-39	179.5	-69.2	169.1	0	0	0	112.5	I440 V444 M465 R466 Y472 A473 Y481 M485 L489 F506	I440-L469 HydrophobicContact CD1-CB 3.95Å; I440-L469 HydrophobicContact CG1-CB 4.21Å; I440-L469 HydrophobicContact CG2-CB 4.04Å; I440-L469 HydrophobicContact CG2-CD1 4.02Å; V444-L469 HydrophobicContact CG2-CD1 3.65Å; M465-L469 HydrophobicContact CG-CD1 4.14Å; M465-L469 WeakPolarHBondContact O-CG 3.39Å; M465-L469 PolarHBondContact O-N 3.1Å; R466-L469 PolarHBondContact O-N 3.23Å; L469-Y472 PolarHBondContact O-N 3.44Å; L469-A473 PolarHBondContact O-N 3.23Å; L469-Y481 HydrophobicContact CB-CD2 4.43Å; L469-Y481 HydrophobicContact CB-CE2 4.48Å; L469-Y481 HydrophobicContact CD1-CE2 3.82Å; L469-Y481 HydrophobicContact CD2-CD2 4.2Å; L469-Y481 HydrophobicContact CD2-CE2 3.91Å; L469-Y481 HydrophobicContact CG-CE2 4.28Å; L469-M485 HydrophobicContact CD2-CB 4.22Å; L469-L489 HydrophobicContact CD1-CD2 4.28Å; L469-L489 HydrophobicContact CD2-CB 4.43Å; L469-L489 HydrophobicContact CD2-CD2 3.79Å; L469-L489 HydrophobicContact CG-CD2 3.64Å; L469-F506 HydrophobicContact CD2-CE1 4.04Å; L469-F506 HydrophobicContact CD2-CZ 3.94Å
470	L	97.8	Very high	94.7	Very high	4 Å²	4	38 Å²	38	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-67.2	-38.1	175	-71.2	168.9	0	0	0	112.1	R422 W433 E437 I440 R466 D467 I468 Y472 A473 I474	R422-L470 VanDerWaalsContact CD-CB 3.42Å; R422-L470 HydrophobicContact CG-CB 4.25Å; W433-L470 HydrophobicContact CH2-CD2 4.24Å; W433-L470 HydrophobicContact CZ2-CD2 3.96Å; E437-L470 HydrophobicContact CG-CD2 3.76Å; I440-L470 HydrophobicContact CD1-CD2 3.59Å; I440-L470 HydrophobicContact CD1-CG 3.96Å; R466-L470 HydrophobicContact CG-CD1 4.07Å; R466-L470 WeakPolarHBondContact O-CG 3.35Å; R466-L470 PolarHBondContact O-N 3.07Å; D467-L470 PolarHBondContact O-N 3.02Å; I468-L470 VanDerWaalsContact C-N 3.35Å; I468-L470 PolarHBondContact O-N 3.28Å; L470-Y472 VanDerWaalsContact C-N 3.29Å; L470-A473 PolarHBondContact O-N 2.98Å; L470-I474 PolarHBondContact O-N 3.31Å
471	N	98.1	Very high	94.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.8	-37.6	173.9	-73.9	-16	0	0	0	110.8	Y415 R422 D467 I468 A473 I474 F475 F503	Y415-N471 HydrophobicContact CE2-CB 4.2Å; Y415-N471 PolarHBondContact OH-ND2 2.93Å; R422-N471 WeakPolarHBondContact CD-OD1 3.32Å; R422-N471 PolarHBondContact NE-OD1 3.31Å; R422-N471 PolarHBondContact NH1-ND2 2.81Å; R422-N471 PolarHBondContact NH1-OD1 3.28Å; R422-N471 VanDerWaalsContact NH1-OD1 3.12Å; D467-N471 WeakPolarHBondContact O-CB 3.47Å; D467-N471 PolarHBondContact O-N 3.17Å; I468-N471 PolarHBondContact O-N 3.39Å; N471-A473 PolarHBondContact O-N 2.87Å; N471-I474 WeakPolarHBondContact O-CB 3.37Å; N471-I474 PolarHBondContact O-N 3.44Å; N471-I474 VanDerWaalsContact O-N 3.14Å; N471-F475 PolarHBondContact O-N 3.32Å; N471-F503 HydrophobicContact CB-CD2 4.28Å; N471-F503 HydrophobicContact CB-CE2 3.95Å
472	Y	96.7	Very high	93.7	Very high	10 Å²	10	33.7 Å²	33.7	4%	0.039	17%	0.174	C	C	.	.	H	α-helix	trans	-64.2	-41	175.6	-177.9	-86.9	0	0	0	111.4	I468 L469 L470 I474 F475 A476 V479 A480 M485 F506 V507 M510	I468-Y472 PolarHBondContact O-N 2.85Å; L469-Y472 PolarHBondContact O-N 3.44Å; L470-Y472 VanDerWaalsContact C-N 3.29Å; Y472-I474 PolarHBondContact O-N 2.87Å; Y472-I474 VanDerWaalsContact O-N 3.16Å; Y472-F475 HydrophobicContact CD2-CD1 4.5Å; Y472-F475 HydrophobicContact CE2-CD1 4.45Å; Y472-F475 WeakPolarHBondContact O-CB 3.31Å; Y472-F475 PolarHBondContact O-N 3.31Å; Y472-A476 HydrophobicContact CE1-CB 3.93Å; Y472-A476 HydrophobicContact CE2-CB 4.4Å; Y472-A476 PolarHBondContact O-N 3.38Å; Y472-V479 HydrophobicContact CE1-CB 4.43Å; Y472-V479 HydrophobicContact CE1-CG1 4.2Å; Y472-A480 WeakPolarHBondContact CD1-O 3.37Å; Y472-M485 HydrophobicContact CD1-CE 3.39Å; Y472-M485 HydrophobicContact CE1-CE 3.34Å; Y472-M485 HydrophobicContact CG-CE 4.21Å; Y472-F506 HydrophobicContact CD1-CE1 4.24Å; Y472-F506 AromaticContact CD2-CD1 3.76Å; Y472-F506 HydrophobicContact CD2-CD1 3.76Å; Y472-F506 AromaticContact CD2-CE1 3.74Å; Y472-F506 HydrophobicContact CD2-CE1 3.74Å; Y472-F506 HydrophobicContact CE2-CD1 4.32Å; Y472-F506 HydrophobicContact CE2-CE1 4.2Å; Y472-F506 HydrophobicContact CG-CD1 4.14Å; Y472-F506 AromaticContact CG-CE1 3.76Å; Y472-F506 HydrophobicContact CG-CE1 3.76Å; Y472-V507 HydrophobicContact CD2-CG2 4.08Å; Y472-V507 HydrophobicContact CE2-CG2 4.23Å; Y472-M510 HydrophobicContact CE2-CB 3.86Å; Y472-M510 HydrophobicContact CE2-CG 3.75Å; Y472-M510 VanDerWaalsContact OH-CB 3.23Å; Y472-M510 WeakPolarHBondContact OH-CB 3.37Å
473	A	94.9	Very high	93	Very high	2 Å²	2	35.5 Å²	35.5	2%	0.017	18%	0.181	C	C	.	.	H	α-helix	trans	-64.2	-20	176.4	0	0	0	0	0	113.9	W433 V436 L469 L470 N471 A480	W433-A473 HydrophobicContact CH2-CB 4.17Å; W433-A473 HydrophobicContact CZ3-CB 3.91Å; V436-A473 HydrophobicContact CG1-CB 3.86Å; L469-A473 PolarHBondContact O-N 3.23Å; L470-A473 PolarHBondContact O-N 2.98Å; N471-A473 PolarHBondContact O-N 2.87Å; A473-A480 HydrophobicContact CB-CB 4.37Å
474	I	96.3	Very high	92.4	Very high	28 Å²	28	30.8 Å²	30.8	14%	0.144	16%	0.159	C	C	.	.	H	α-helix	trans	-81.9	-42.6	168.8	-62.5	-61.9	0	0	0	111.2	L418 K421 R422 K425 W433 L470 N471 Y472	L418-I474 HydrophobicContact CD2-CG2 4Å; K421-I474 HydrophobicContact CB-CG2 3.93Å; K421-I474 HydrophobicContact CD-CG2 4.37Å; R422-I474 HydrophobicContact CB-CG1 3.92Å; R422-I474 HydrophobicContact CG-CG1 4.36Å; K425-I474 HydrophobicContact CB-CD1 4.45Å; K425-I474 HydrophobicContact CD-CD1 3.47Å; K425-I474 VanDerWaalsContact CD-CD1 3.47Å; W433-I474 HydrophobicContact CE3-CD1 4.45Å; W433-I474 HydrophobicContact CH2-CD1 3.43Å; W433-I474 VanDerWaalsContact CH2-CD1 3.43Å; W433-I474 HydrophobicContact CH2-CG1 3.76Å; W433-I474 HydrophobicContact CZ2-CD1 4.13Å; W433-I474 HydrophobicContact CZ3-CD1 3.61Å; W433-I474 HydrophobicContact CZ3-CG1 4.27Å; L470-I474 PolarHBondContact O-N 3.31Å; N471-I474 WeakPolarHBondContact O-CB 3.37Å; N471-I474 PolarHBondContact O-N 3.44Å; N471-I474 VanDerWaalsContact O-N 3.14Å; Y472-I474 PolarHBondContact O-N 2.87Å; Y472-I474 VanDerWaalsContact O-N 3.16Å
475	F	95	Very high	92.1	Very high	67 Å²	67	29.3 Å²	29.3	29%	0.294	15%	0.152	S	C	.	.	H	α-helix	trans	-63	-49	-179.6	176	-98.4	0	0	0	112.1	L418 N471 Y472 P477 F503 W504 V507	L418-F475 HydrophobicContact CD1-CB 4.08Å; L418-F475 HydrophobicContact CD1-CD2 3.99Å; L418-F475 HydrophobicContact CD1-CG 4.44Å; L418-F475 HydrophobicContact CD2-CB 4.11Å; L418-F475 HydrophobicContact CD2-CD2 4.4Å; N471-F475 PolarHBondContact O-N 3.32Å; Y472-F475 HydrophobicContact CD2-CD1 4.5Å; Y472-F475 HydrophobicContact CE2-CD1 4.45Å; Y472-F475 WeakPolarHBondContact O-CB 3.31Å; Y472-F475 PolarHBondContact O-N 3.31Å; F475-P477 VanDerWaalsContact C-CD 3.49Å; F475-P477 WeakPolarHBondContact O-CD 3.48Å; F475-F503 HydrophobicContact CB-CZ 3.96Å; F475-F503 HydrophobicContact CD2-CZ 4.43Å; F475-F503 HydrophobicContact CG-CZ 4.11Å; F475-W504 HydrophobicContact CD2-CH2 4.45Å; F475-W504 AromaticContact CE2-CH2 3.95Å; F475-W504 HydrophobicContact CE2-CH2 3.95Å; F475-W504 AromaticContact CE2-CZ3 3.87Å; F475-W504 HydrophobicContact CE2-CZ3 3.87Å; F475-W504 HydrophobicContact CZ-CZ3 4.13Å; F475-V507 HydrophobicContact CD1-CG1 4.48Å; F475-V507 HydrophobicContact CD1-CG2 4Å; F475-V507 HydrophobicContact CE1-CB 4.4Å; F475-V507 HydrophobicContact CE1-CG1 3.57Å; F475-V507 HydrophobicContact CE1-CG2 3.86Å; F475-V507 HydrophobicContact CZ-CG1 3.84Å; F475-V507 HydrophobicContact CZ-CG2 4.35Å
476	A	90.7	Very high	91.9	Very high	20 Å²	20	29.3 Å²	29.3	17%	0.165	15%	0.151	C	C	.	.			trans	-116.9	71.7	-177.4	0	0	0	0	0	111.6	Y472 K478 V479 A480	Y472-A476 HydrophobicContact CE1-CB 3.93Å; Y472-A476 HydrophobicContact CE2-CB 4.4Å; Y472-A476 PolarHBondContact O-N 3.38Å; A476-K478 PolarHBondContact O-N 3.07Å; A476-K478 VanDerWaalsContact O-N 3.14Å; A476-V479 HydrophobicContact CB-CB 4.46Å; A476-V479 PolarHBondContact O-N 2.99Å; A476-V479 VanDerWaalsContact O-N 3.1Å; A476-A480 PolarHBondContact O-N 3.37Å
477	P	88.1	Confident	91.7	Very high	92 Å²	92	26.7 Å²	26.7	60%	0.597	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.8	-171.5	26.5	-36	0	0	0	114.6	F475	F475-P477 VanDerWaalsContact C-CD 3.49Å; F475-P477 WeakPolarHBondContact O-CD 3.48Å
478	K	84.1	Confident	91.5	Very high	154 Å²	154	25.3 Å²	25.3	67%	0.67	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-38.1	174.8	-68.6	-174.3	177.6	-177.9	0	111.9	A476 L523	A476-K478 PolarHBondContact O-N 3.07Å; A476-K478 VanDerWaalsContact O-N 3.14Å; K478-L523 HydrophobicContact CB-CD1 3.76Å
479	V	83.5	Confident	91.4	Very high	18 Å²	18	25.3 Å²	25.3	11%	0.109	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-43.6	175	-179.8	0	0	0	0	110.3	Y472 A476 Y481 V482 M485 V514 L523	Y472-V479 HydrophobicContact CE1-CB 4.43Å; Y472-V479 HydrophobicContact CE1-CG1 4.2Å; A476-V479 HydrophobicContact CB-CB 4.46Å; A476-V479 PolarHBondContact O-N 2.99Å; A476-V479 VanDerWaalsContact O-N 3.1Å; V479-Y481 PolarHBondContact O-N 2.98Å; V479-V482 HydrophobicContact CG1-CG2 4.21Å; V479-M485 HydrophobicContact CG1-SD 4.39Å; V479-V514 HydrophobicContact CG2-CG1 4.38Å; V479-L523 HydrophobicContact CB-CD1 4.47Å; V479-L523 HydrophobicContact CG2-CD1 3.53Å; V479-L523 HydrophobicContact CG2-CD2 3.56Å; V479-L523 HydrophobicContact CG2-CG 4.14Å
480	A	88.9	Confident	91.4	Very high	20 Å²	20	25.4 Å²	25.4	17%	0.165	14%	0.135	C	C	.	.			trans	53.3	-98.6	-171.1	0	0	0	0	0	112.6	V436 Y472 A473 A476	V436-A480 HydrophobicContact CG2-CB 4.12Å; Y472-A480 WeakPolarHBondContact CD1-O 3.37Å; A473-A480 HydrophobicContact CB-CB 4.37Å; A476-A480 PolarHBondContact O-N 3.37Å
481	Y	88.6	Confident	91.3	Very high	24 Å²	24	25.4 Å²	25.4	9%	0.094	14%	0.135	C	C	.	.			trans	-138.8	130.1	175.6	-178.7	-100.2	0	0	0	109.4	I440 D443 L469 V479 M485	I440-Y481 HydrophobicContact CD1-CD2 4.02Å; I440-Y481 HydrophobicContact CD1-CG 4.03Å; I440-Y481 HydrophobicContact CG1-CD1 3.74Å; I440-Y481 HydrophobicContact CG1-CD2 3.43Å; I440-Y481 VanDerWaalsContact CG1-CD2 3.43Å; I440-Y481 HydrophobicContact CG1-CE1 4.07Å; I440-Y481 HydrophobicContact CG1-CE2 3.77Å; I440-Y481 HydrophobicContact CG1-CG 3.41Å; I440-Y481 VanDerWaalsContact CG1-CG 3.41Å; D443-Y481 HydrophobicContact CB-CE1 4.47Å; D443-Y481 WeakPolarHBondContact CB-OH 3.2Å; D443-Y481 VanDerWaalsContact CG-OH 3.24Å; D443-Y481 PolarHBondContact OD2-OH 2.73Å; L469-Y481 HydrophobicContact CB-CD2 4.43Å; L469-Y481 HydrophobicContact CB-CE2 4.48Å; L469-Y481 HydrophobicContact CD1-CE2 3.82Å; L469-Y481 HydrophobicContact CD2-CD2 4.2Å; L469-Y481 HydrophobicContact CD2-CE2 3.91Å; L469-Y481 HydrophobicContact CG-CE2 4.28Å; V479-Y481 PolarHBondContact O-N 2.98Å; Y481-M485 HydrophobicContact CD2-CB 4.03Å; Y481-M485 HydrophobicContact CD2-CE 4.5Å; Y481-M485 HydrophobicContact CD2-SD 4.23Å; Y481-M485 HydrophobicContact CE2-CB 3.61Å
482	V	84.4	Confident	91.3	Very high	24 Å²	24	25.4 Å²	25.4	15%	0.145	14%	0.135	C	C	.	.			trans	-115	136.3	172.4	-179.5	0	0	0	0	107.5	L195 L198 V479 G484 M485	L195-V482 HydrophobicContact CD2-CG2 4.12Å; L198-V482 HydrophobicContact CB-CG1 4.29Å; L198-V482 HydrophobicContact CD1-CG1 4.07Å; L198-V482 HydrophobicContact CD2-CG1 3.96Å; L198-V482 HydrophobicContact CG-CG1 4.34Å; V479-V482 HydrophobicContact CG1-CG2 4.21Å; V482-G484 PolarHBondContact O-N 3.01Å; V482-M485 HydrophobicContact CB-CG 4.35Å; V482-M485 HydrophobicContact CB-SD 4Å; V482-M485 HydrophobicContact CG2-SD 4.47Å; V482-M485 PolarHBondContact N-SD 3.33Å; V482-M485 VanDerWaalsContact O-CB 3.28Å; V482-M485 WeakPolarHBondContact O-CB 3.32Å; V482-M485 VanDerWaalsContact O-CG 3.24Å; V482-M485 WeakPolarHBondContact O-CG 3.3Å; V482-M485 PolarHBondContact O-N 2.9Å; V482-M485 VanDerWaalsContact O-N 3.07Å
483	Q	80.8	Confident	91.4	Very high	51 Å²	51	24.9 Å²	24.9	24%	0.238	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	135	179.8	177.4	170.1	-10.2	0	0	111	E202 D443	E202-Q483 VanDerWaalsContact CG-OE1 3.31Å; D443-Q483 WeakPolarHBondContact OD2-CA 3.17Å; D443-Q483 WeakPolarHBondContact OD2-CG 3.21Å
484	G	84.4	Confident	91.5	Very high	6 Å²	6	26.3 Å²	26.3	6%	0.062	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.2	-10.7	-174.4	0	0	0	0	0	115	D443 V482 S486 D487 L488	D443-G484 PolarHBondContact OD2-N 2.83Å; D443-G484 VanDerWaalsContact OD2-N 3.09Å; V482-G484 PolarHBondContact O-N 3.01Å; G484-S486 PolarHBondContact O-N 3.07Å; G484-D487 WeakPolarHBondContact O-CB 3.4Å; G484-D487 PolarHBondContact O-N 3.16Å; G484-L488 PolarHBondContact O-N 2.81Å
485	M	91.3	Very high	91.6	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.025	15%	0.146	C	C	.	.	H	α-helix	trans	-60.3	-28	171.5	-80.3	175.7	64.2	0	0	112.9	L469 Y472 V479 Y481 V482 D487 L488 L489 F506 M510	L469-M485 HydrophobicContact CD2-CB 4.22Å; Y472-M485 HydrophobicContact CD1-CE 3.39Å; Y472-M485 HydrophobicContact CE1-CE 3.34Å; Y472-M485 HydrophobicContact CG-CE 4.21Å; V479-M485 HydrophobicContact CG1-SD 4.39Å; Y481-M485 HydrophobicContact CD2-CB 4.03Å; Y481-M485 HydrophobicContact CD2-CE 4.5Å; Y481-M485 HydrophobicContact CD2-SD 4.23Å; Y481-M485 HydrophobicContact CE2-CB 3.61Å; V482-M485 HydrophobicContact CB-CG 4.35Å; V482-M485 HydrophobicContact CB-SD 4Å; V482-M485 HydrophobicContact CG2-SD 4.47Å; V482-M485 PolarHBondContact N-SD 3.33Å; V482-M485 VanDerWaalsContact O-CB 3.28Å; V482-M485 WeakPolarHBondContact O-CB 3.32Å; V482-M485 VanDerWaalsContact O-CG 3.24Å; V482-M485 WeakPolarHBondContact O-CG 3.3Å; V482-M485 PolarHBondContact O-N 2.9Å; V482-M485 VanDerWaalsContact O-N 3.07Å; M485-D487 VanDerWaalsContact C-N 3.33Å; M485-L488 PolarHBondContact O-N 3.45Å; M485-L489 WeakPolarHBondContact O-CB 3.31Å; M485-L489 PolarHBondContact O-N 3.06Å; M485-F506 HydrophobicContact CB-CZ 4.17Å; M485-F506 HydrophobicContact CE-CE1 3.69Å; M485-F506 HydrophobicContact CE-CZ 3.55Å; M485-F506 HydrophobicContact CG-CZ 4.46Å; M485-M510 HydrophobicContact CE-CE 3.77Å; M485-M510 HydrophobicContact CE-CG 4.45Å; M485-M510 HydrophobicContact CE-SD 4.09Å; M485-M510 HydrophobicContact CG-CE 3.93Å; M485-M510 HydrophobicContact CG-SD 4.2Å; M485-M510 HydrophobicContact SD-CE 3.81Å
486	S	94.5	Very high	91.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.8	-37.7	171	64.1	0	0	0	0	112.7	T447 G484 L488 L489 S490	T447-S486 WeakPolarHBondContact OG1-CB 3.37Å; T447-S486 PolarHBondContact OG1-OG 3.37Å; G484-S486 PolarHBondContact O-N 3.07Å; S486-L488 VanDerWaalsContact C-N 3.31Å; S486-L488 PolarHBondContact O-N 2.64Å; S486-L489 PolarHBondContact O-N 3.03Å; S486-S490 WeakPolarHBondContact O-CB 2.9Å; S486-S490 PolarHBondContact O-N 3.07Å
487	D	92.5	Very high	91.9	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-68.6	-32	177.4	-67.4	-30.5	0	0	0	111.5	T447 G484 M485 P491 L566 K569 R570	T447-D487 PolarHBondContact OG1-OD1 3.32Å; G484-D487 WeakPolarHBondContact O-CB 3.4Å; G484-D487 PolarHBondContact O-N 3.16Å; M485-D487 VanDerWaalsContact C-N 3.33Å; D487-P491 WeakPolarHBondContact O-CD 3.44Å; D487-L566 HydrophobicContact CB-CD2 4.41Å; D487-K569 HydrophobicContact CB-CG 4.49Å; D487-R570 IonicContact OD1-NH2 2.93Å; D487-R570 PolarHBondContact OD1-NH2 3.16Å; D487-R570 IonicContact OD2-CZ 3.44Å; D487-R570 IonicContact OD2-NE 3.55Å; D487-R570 PolarHBondContact OD2-NE 3.11Å; D487-R570 IonicContact OD2-NH2 3.16Å; D487-R570 PolarHBondContact OD2-NH2 3.37Å
488	L	93.8	Very high	92.3	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.026	14%	0.139	C	C	.	.	H	α-helix	trans	-72.3	-40.7	173.5	-65.9	179.1	0	0	0	112.2	G484 M485 S486 F506 L509 M510 T513 W567 W581	G484-L488 PolarHBondContact O-N 2.81Å; M485-L488 PolarHBondContact O-N 3.45Å; S486-L488 VanDerWaalsContact C-N 3.31Å; S486-L488 PolarHBondContact O-N 2.64Å; L488-F506 HydrophobicContact CB-CE2 4.18Å; L488-L509 HydrophobicContact CB-CD2 4.19Å; L488-M510 HydrophobicContact CD1-SD 4.17Å; L488-T513 HydrophobicContact CD1-CG2 4.39Å; L488-W567 HydrophobicContact CD2-CB 4.35Å; L488-W581 HydrophobicContact CD2-CH2 4.32Å; L488-W581 HydrophobicContact CD2-CZ2 4.03Å
489	L	97.3	Very high	92.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-69.7	-33.2	177.8	175.8	59.7	0	0	0	112.4	M465 I468 L469 M485 S486 L492 L493 T502 F506	M465-L489 HydrophobicContact CB-CD2 4.47Å; M465-L489 HydrophobicContact CG-CD2 3.67Å; M465-L489 HydrophobicContact CG-CG 4.27Å; I468-L489 HydrophobicContact CB-CD2 3.93Å; I468-L489 HydrophobicContact CG2-CD1 3.86Å; I468-L489 HydrophobicContact CG2-CD2 3.65Å; I468-L489 HydrophobicContact CG2-CG 4.45Å; L469-L489 HydrophobicContact CD1-CD2 4.28Å; L469-L489 HydrophobicContact CD2-CB 4.43Å; L469-L489 HydrophobicContact CD2-CD2 3.79Å; L469-L489 HydrophobicContact CG-CD2 3.64Å; M485-L489 WeakPolarHBondContact O-CB 3.31Å; M485-L489 PolarHBondContact O-N 3.06Å; S486-L489 PolarHBondContact O-N 3.03Å; L489-L492 WeakPolarHBondContact O-CB 3.29Å; L489-L492 PolarHBondContact O-N 3.32Å; L489-L493 PolarHBondContact O-N 3.49Å; L489-T502 HydrophobicContact CD1-CG2 3.56Å; L489-F506 HydrophobicContact CB-CD2 3.88Å; L489-F506 HydrophobicContact CB-CE2 3.77Å; L489-F506 HydrophobicContact CB-CZ 4.39Å; L489-F506 HydrophobicContact CD1-CB 4Å; L489-F506 HydrophobicContact CD1-CD2 3.94Å; L489-F506 HydrophobicContact CD1-CG 3.94Å; L489-F506 HydrophobicContact CG-CD2 4.48Å
490	S	97.4	Very high	93.6	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.021	12%	0.117	C	C	.	.	H	α-helix	trans	-53.6	-49.2	-171.5	166.7	0	0	0	0	114.2	D448 Y454 S486 L492 A494	D448-S490 WeakPolarHBondContact OD2-CB 3.44Å; D448-S490 PolarHBondContact OD2-OG 2.85Å; Y454-S490 WeakPolarHBondContact CE2-OG 3.39Å; Y454-S490 WeakPolarHBondContact OH-CA 3.44Å; Y454-S490 PolarHBondContact OH-O 3.24Å; S486-S490 WeakPolarHBondContact O-CB 2.9Å; S486-S490 PolarHBondContact O-N 3.07Å; S490-L492 PolarHBondContact O-N 2.91Å; S490-A494 WeakPolarHBondContact O-CB 3.4Å; S490-A494 PolarHBondContact O-N 2.82Å; S490-A494 VanDerWaalsContact O-N 3.1Å
491	P	96.8	Very high	94	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.019	12%	0.118	C	C	.	.	H	α-helix	trans	-66.3	-34.8	176.5	-23.9	36.2	0	0	0	113.5	D487 V495 K569 T574 M578 W581	D487-P491 WeakPolarHBondContact O-CD 3.44Å; P491-V495 WeakPolarHBondContact O-CG2 3.36Å; P491-V495 PolarHBondContact O-N 2.85Å; P491-K569 HydrophobicContact CG-CD 4.07Å; P491-T574 HydrophobicContact CB-CG2 4.43Å; P491-T574 HydrophobicContact CG-CG2 4.18Å; P491-M578 HydrophobicContact CB-CG 4.14Å; P491-M578 HydrophobicContact CB-SD 3.98Å; P491-W581 HydrophobicContact CB-CH2 4.2Å; P491-W581 HydrophobicContact CB-CZ3 3.8Å; P491-W581 HydrophobicContact CG-CH2 3.65Å; P491-W581 HydrophobicContact CG-CZ3 3.79Å
492	L	98	Very high	94.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.2	-54	176.1	-65.8	-176.9	0	0	0	111.1	W388 L392 L489 S490 A494 V495 L496 T502 C505 F506 L509 W585	W388-L492 HydrophobicContact CD2-CD2 4.49Å; W388-L492 HydrophobicContact CE3-CD2 3.58Å; W388-L492 HydrophobicContact CH2-CD2 4.35Å; W388-L492 HydrophobicContact CZ3-CD2 3.54Å; L392-L492 HydrophobicContact CD1-CD2 3.98Å; L489-L492 WeakPolarHBondContact O-CB 3.29Å; L489-L492 PolarHBondContact O-N 3.32Å; S490-L492 PolarHBondContact O-N 2.91Å; L492-A494 VanDerWaalsContact C-N 3.33Å; L492-A494 PolarHBondContact O-N 2.83Å; L492-V495 PolarHBondContact O-N 3.39Å; L492-L496 WeakPolarHBondContact O-CB 3.48Å; L492-L496 WeakPolarHBondContact O-CG 3.4Å; L492-L496 PolarHBondContact O-N 2.93Å; L492-T502 HydrophobicContact CB-CG2 4.09Å; L492-C505 HydrophobicContact CD1-CB 4.34Å; L492-F506 HydrophobicContact CD1-CB 3.88Å; L492-F506 HydrophobicContact CD1-CD2 4.08Å; L492-L509 HydrophobicContact CD1-CB 4.28Å; L492-L509 HydrophobicContact CD1-CD2 3.82Å; L492-L509 HydrophobicContact CG-CD2 4.37Å; L492-W585 HydrophobicContact CD2-CH2 4.07Å
493	L	98.3	Very high	95.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65	-37.7	-177.4	-177.8	58.6	0	0	0	112.2	F453 Y454 L464 M465 I468 L489 V495 H497 T502	F453-L493 HydrophobicContact CE1-CD2 4.43Å; F453-L493 HydrophobicContact CE1-CG 3.99Å; F453-L493 HydrophobicContact CZ-CG 4.28Å; Y454-L493 HydrophobicContact CE1-CD2 4.21Å; Y454-L493 WeakPolarHBondContact OH-CB 3.36Å; L464-L493 HydrophobicContact CB-CD2 4.44Å; L464-L493 HydrophobicContact CD2-CD1 3.8Å; L464-L493 HydrophobicContact CG-CD1 4.18Å; L464-L493 HydrophobicContact CG-CD2 4.33Å; M465-L493 HydrophobicContact CB-CD2 3.98Å; I468-L493 HydrophobicContact CD1-CD1 4Å; I468-L493 HydrophobicContact CD1-CD2 4.44Å; L489-L493 PolarHBondContact O-N 3.49Å; L493-V495 VanDerWaalsContact C-N 3.27Å; L493-V495 PolarHBondContact O-N 2.87Å; L493-H497 WeakPolarHBondContact O-CA 3.38Å; L493-H497 PolarHBondContact O-N 3.35Å; L493-T502 HydrophobicContact CB-CG2 3.79Å; L493-T502 HydrophobicContact CD1-CG2 4Å; L493-T502 HydrophobicContact CG-CG2 4.49Å
494	A	97.3	Very high	96	Very high	32 Å²	32	19 Å²	19	26%	0.264	10%	0.1	S	C	.	.	H	α-helix	trans	-69.6	-20.7	179.6	0	0	0	0	0	114	F453 Y454 S490 L492 H497	F453-A494 HydrophobicContact CD1-CB 3.83Å; F453-A494 HydrophobicContact CE1-CB 4.14Å; F453-A494 HydrophobicContact CG-CB 4.16Å; Y454-A494 HydrophobicContact CE2-CB 4.43Å; S490-A494 WeakPolarHBondContact O-CB 3.4Å; S490-A494 PolarHBondContact O-N 2.82Å; S490-A494 VanDerWaalsContact O-N 3.1Å; L492-A494 VanDerWaalsContact C-N 3.33Å; L492-A494 PolarHBondContact O-N 2.83Å; A494-H497 PolarHBondContact O-NE2 2.98Å; A494-H497 VanDerWaalsContact O-NE2 3.11Å
495	V	97.6	Very high	96.6	Very high	27 Å²	27	18.8 Å²	18.8	16%	0.164	10%	0.097	C	C	.	.	H	α-helix	trans	-99.2	-40.4	179	168.8	0	0	0	0	111.9	R384 W388 P491 L492 L493 H497 M578	R384-V495 HydrophobicContact CB-CG1 3.57Å; W388-V495 HydrophobicContact CD2-CG1 4.46Å; W388-V495 HydrophobicContact CE3-CB 4.25Å; W388-V495 HydrophobicContact CE3-CG1 3.96Å; W388-V495 HydrophobicContact CH2-CB 3.87Å; W388-V495 HydrophobicContact CH2-CG1 4.03Å; W388-V495 HydrophobicContact CH2-CG2 3.64Å; W388-V495 HydrophobicContact CZ2-CG2 4.45Å; W388-V495 HydrophobicContact CZ3-CB 3.52Å; W388-V495 HydrophobicContact CZ3-CG1 3.67Å; W388-V495 HydrophobicContact CZ3-CG2 3.85Å; P491-V495 WeakPolarHBondContact O-CG2 3.36Å; P491-V495 PolarHBondContact O-N 2.85Å; L492-V495 PolarHBondContact O-N 3.39Å; L493-V495 VanDerWaalsContact C-N 3.27Å; L493-V495 PolarHBondContact O-N 2.87Å; V495-H497 PolarHBondContact O-CD2 2.74Å; V495-M578 HydrophobicContact CG2-SD 4.04Å
496	L	97.5	Very high	96.9	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.016	10%	0.096	C	C	.	.	H	α-helix	trans	-84.9	-33.7	-175.4	-66	169.8	0	0	0	112.6	R385 W388 L492 E498 T502 C505	R385-L496 HydrophobicContact CG-CD2 4.23Å; R385-L496 PolarHBondContact NH1-O 2.77Å; R385-L496 PolarHBondContact NH2-O 3.35Å; W388-L496 HydrophobicContact CE3-CG 4.33Å; L492-L496 WeakPolarHBondContact O-CB 3.48Å; L492-L496 WeakPolarHBondContact O-CG 3.4Å; L492-L496 PolarHBondContact O-N 2.93Å; L496-E498 PolarHBondContact O-N 3.04Å; L496-T502 WeakPolarHBondContact CB-OG1 3.24Å; L496-C505 HydrophobicContact CD1-CB 3.76Å
497	H	95.6	Very high	97	Very high	86 Å²	86	18.9 Å²	18.9	40%	0.398	10%	0.098	S	C	.	.			trans	59.7	-18.5	-177	-60.8	-98.6	0	0	0	117	R385 F453 L493 A494 V495	R385-H497 PolarHBondContact NH2-CD2 3.05Å; F453-H497 AromaticContact CD2-CE1 3.95Å; F453-H497 AromaticContact CE2-CE1 3.45Å; F453-H497 VanDerWaalsContact CE2-CE1 3.45Å; F453-H497 WeakPolarHBondContact CE2-CE1 3.29Å; F453-H497 AromaticContact CE2-ND1 3.37Å; F453-H497 WeakPolarHBondContact CE2-ND1 3.41Å; L493-H497 WeakPolarHBondContact O-CA 3.38Å; L493-H497 PolarHBondContact O-N 3.35Å; A494-H497 PolarHBondContact O-NE2 2.98Å; A494-H497 VanDerWaalsContact O-NE2 3.11Å; V495-H497 PolarHBondContact O-CD2 2.74Å
498	E	95.4	Very high	97	Very high	107 Å²	107	19.1 Å²	19.1	50%	0.5	10%	0.1	S	C	.	.			trans	-93.8	128.2	-178.8	-64.7	-56.2	142.1	0	0	111.8	L496 V500 D501 T502	L496-E498 PolarHBondContact O-N 3.04Å; E498-V500 PolarHBondContact O-N 3.3Å; E498-D501 HydrophobicContact CB-CB 4.19Å; E498-T502 WeakPolarHBondContact O-CB 3.37Å; E498-T502 PolarHBondContact O-N 2.93Å; E498-T502 PolarHBondContact O-OG1 2.94Å
499	E	97.6	Very high	96.9	Very high	43 Å²	43	18.9 Å²	18.9	20%	0.201	10%	0.099	C	C	.	.	H	α-helix	trans	-56.2	-47.6	-174.7	-176.5	176.4	176.1	0	0	112.6	Y415 K419 L464 I468 F503	Y415-E499 HydrophobicContact CE1-CG 3.73Å; Y415-E499 VanDerWaalsContact CE1-OE1 3.3Å; Y415-E499 WeakPolarHBondContact CE1-OE1 3.47Å; Y415-E499 WeakPolarHBondContact OH-CG 3.29Å; Y415-E499 PolarHBondContact OH-OE1 2.94Å; K419-E499 IonicContact NZ-OE1 2.93Å; K419-E499 PolarHBondContact NZ-OE1 3.1Å; K419-E499 IonicContact NZ-OE2 2.88Å; K419-E499 PolarHBondContact NZ-OE2 2.99Å; L464-E499 HydrophobicContact CD1-CB 3.85Å; L464-E499 HydrophobicContact CD1-CG 3.58Å; I468-E499 HydrophobicContact CG1-CG 4.2Å; E499-F503 WeakPolarHBondContact O-CB 3.44Å; E499-F503 PolarHBondContact O-N 3.15Å
500	V	97.9	Very high	96.5	Very high	17 Å²	17	19.1 Å²	19.1	10%	0.103	10%	0.101	C	C	.	.	H	α-helix	trans	-74.2	-49.1	-173.3	178.4	0	0	0	0	111.3	F412 Y415 E498 T502 F503 W504	F412-V500 HydrophobicContact CB-CG1 4.5Å; F412-V500 HydrophobicContact CD2-CG2 3.85Å; F412-V500 HydrophobicContact CE2-CG2 4.36Å; Y415-V500 HydrophobicContact CD1-CG2 3.7Å; Y415-V500 HydrophobicContact CE1-CG2 4.27Å; Y415-V500 HydrophobicContact CG-CG1 4.5Å; Y415-V500 HydrophobicContact CG-CG2 3.98Å; E498-V500 PolarHBondContact O-N 3.3Å; V500-T502 VanDerWaalsContact C-N 3.29Å; V500-T502 PolarHBondContact O-N 3.28Å; V500-F503 WeakPolarHBondContact O-CB 3.28Å; V500-F503 PolarHBondContact O-N 3.49Å; V500-F503 VanDerWaalsContact O-N 3.16Å; V500-W504 PolarHBondContact O-N 3.32Å
501	D	97.1	Very high	95.9	Very high	38 Å²	38	24 Å²	24	20%	0.203	12%	0.123	C	C	.	.	H	α-helix	trans	-63	-40.3	178.7	-66	-10.9	0	0	0	110.8	E498 F503 W504 C505	E498-D501 HydrophobicContact CB-CB 4.19Å; D501-F503 PolarHBondContact O-N 2.89Å; D501-W504 PolarHBondContact O-N 3.3Å; D501-C505 WeakPolarHBondContact O-CB 3.38Å; D501-C505 PolarHBondContact O-N 3.29Å; D501-C505 PolarHBondContact O-SG 3.47Å
502	T	98.6	Very high	94.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61	-44.6	174.5	-58.5	0	0	0	0	111.3	I468 L489 L492 L493 L496 E498 V500 F506	I468-T502 HydrophobicContact CD1-CG2 3.91Å; L489-T502 HydrophobicContact CD1-CG2 3.56Å; L492-T502 HydrophobicContact CB-CG2 4.09Å; L493-T502 HydrophobicContact CB-CG2 3.79Å; L493-T502 HydrophobicContact CD1-CG2 4Å; L493-T502 HydrophobicContact CG-CG2 4.49Å; L496-T502 WeakPolarHBondContact CB-OG1 3.24Å; E498-T502 WeakPolarHBondContact O-CB 3.37Å; E498-T502 PolarHBondContact O-N 2.93Å; E498-T502 PolarHBondContact O-OG1 2.94Å; V500-T502 VanDerWaalsContact C-N 3.29Å; V500-T502 PolarHBondContact O-N 3.28Å; T502-F506 VanDerWaalsContact O-CB 3.25Å; T502-F506 WeakPolarHBondContact O-CB 3.39Å; T502-F506 PolarHBondContact O-N 3.43Å
503	F	98.6	Very high	93.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.8	-47.8	178.7	173.7	-92.2	0	0	0	111.9	Y415 L418 I468 N471 F475 E499 V500 D501 F506 V507	Y415-F503 HydrophobicContact CD2-CB 3.79Å; Y415-F503 AromaticContact CD2-CD1 3.54Å; Y415-F503 HydrophobicContact CD2-CD1 3.54Å; Y415-F503 HydrophobicContact CD2-CD2 4.05Å; Y415-F503 HydrophobicContact CD2-CE1 4.12Å; Y415-F503 AromaticContact CD2-CG 3.5Å; Y415-F503 HydrophobicContact CD2-CG 3.5Å; Y415-F503 HydrophobicContact CE2-CB 3.46Å; Y415-F503 VanDerWaalsContact CE2-CB 3.46Å; Y415-F503 AromaticContact CE2-CD1 3.91Å; Y415-F503 HydrophobicContact CE2-CD1 3.91Å; Y415-F503 AromaticContact CE2-CD2 3.57Å; Y415-F503 HydrophobicContact CE2-CD2 3.57Å; Y415-F503 HydrophobicContact CE2-CE2 4.28Å; Y415-F503 AromaticContact CE2-CG 3.35Å; Y415-F503 HydrophobicContact CE2-CG 3.35Å; L418-F503 HydrophobicContact CD1-CE1 3.74Å; L418-F503 HydrophobicContact CD1-CE2 4.46Å; L418-F503 HydrophobicContact CD1-CZ 3.52Å; I468-F503 HydrophobicContact CG2-CB 4.32Å; I468-F503 HydrophobicContact CG2-CD2 4.1Å; N471-F503 HydrophobicContact CB-CD2 4.28Å; N471-F503 HydrophobicContact CB-CE2 3.95Å; F475-F503 HydrophobicContact CB-CZ 3.96Å; F475-F503 HydrophobicContact CD2-CZ 4.43Å; F475-F503 HydrophobicContact CG-CZ 4.11Å; E499-F503 WeakPolarHBondContact O-CB 3.44Å; E499-F503 PolarHBondContact O-N 3.15Å; V500-F503 WeakPolarHBondContact O-CB 3.28Å; V500-F503 PolarHBondContact O-N 3.49Å; V500-F503 VanDerWaalsContact O-N 3.16Å; D501-F503 PolarHBondContact O-N 2.89Å; F503-F506 WeakPolarHBondContact O-CB 3.4Å; F503-F506 PolarHBondContact O-N 2.99Å; F503-F506 VanDerWaalsContact O-N 3.17Å; F503-V507 HydrophobicContact CD1-CG2 4.24Å; F503-V507 HydrophobicContact CE1-CG2 3.75Å; F503-V507 HydrophobicContact CE2-CG2 4.46Å; F503-V507 HydrophobicContact CZ-CG2 3.87Å; F503-V507 WeakPolarHBondContact O-CG2 3.46Å; F503-V507 PolarHBondContact O-N 3.45Å
504	W	98.2	Very high	91.8	Very high	23 Å²	23	27.6 Å²	27.6	9%	0.087	14%	0.142	C	C	.	.	H	α-helix	trans	-71.8	-35.7	-177.8	-70.7	114.2	0	0	0	112.9	V394 L411 E414 F475 V500 D501 F506 V507 G508	V394-W504 HydrophobicContact CG1-CB 4.13Å; V394-W504 HydrophobicContact CG2-CB 4.13Å; L411-W504 HydrophobicContact CB-CG 4.39Å; L411-W504 HydrophobicContact CD1-CB 4.37Å; L411-W504 HydrophobicContact CD1-CD2 4.5Å; L411-W504 HydrophobicContact CD1-CG 4.03Å; L411-W504 HydrophobicContact CD2-CD2 3.75Å; L411-W504 HydrophobicContact CD2-CE3 4.17Å; L411-W504 HydrophobicContact CD2-CG 4.14Å; L411-W504 HydrophobicContact CD2-CH2 4.31Å; L411-W504 HydrophobicContact CD2-CZ2 3.91Å; L411-W504 HydrophobicContact CD2-CZ3 4.43Å; L411-W504 HydrophobicContact CG-CD2 4.49Å; L411-W504 HydrophobicContact CG-CG 4.41Å; L411-W504 PolarHBondContact O-NE1 2.99Å; E414-W504 HydrophobicContact CB-CZ2 3.93Å; E414-W504 HydrophobicContact CG-CH2 3.93Å; E414-W504 HydrophobicContact CG-CZ2 3.74Å; F475-W504 HydrophobicContact CD2-CH2 4.45Å; F475-W504 AromaticContact CE2-CH2 3.95Å; F475-W504 HydrophobicContact CE2-CH2 3.95Å; F475-W504 AromaticContact CE2-CZ3 3.87Å; F475-W504 HydrophobicContact CE2-CZ3 3.87Å; F475-W504 HydrophobicContact CZ-CZ3 4.13Å; V500-W504 PolarHBondContact O-N 3.32Å; D501-W504 PolarHBondContact O-N 3.3Å; W504-F506 VanDerWaalsContact C-N 3.28Å; W504-F506 PolarHBondContact O-N 2.95Å; W504-V507 HydrophobicContact CE3-CB 4.23Å; W504-V507 HydrophobicContact CE3-CG1 4.45Å; W504-V507 HydrophobicContact CE3-CG2 4.14Å; W504-V507 HydrophobicContact CZ3-CG2 4.37Å; W504-V507 PolarHBondContact O-N 2.89Å; W504-G508 PolarHBondContact O-N 3.32Å
505	C	98.1	Very high	89.8	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.007	15%	0.153	C	C	.	.	H	α-helix	trans	-61.7	-38.9	168.4	-70.3	0	0	0	0	111.4	L392 L492 L496 D501 G508 L509	L392-C505 HydrophobicContact CD1-CB 3.7Å; L492-C505 HydrophobicContact CD1-CB 4.34Å; L496-C505 HydrophobicContact CD1-CB 3.76Å; D501-C505 WeakPolarHBondContact O-CB 3.38Å; D501-C505 PolarHBondContact O-N 3.29Å; D501-C505 PolarHBondContact O-SG 3.47Å; C505-G508 PolarHBondContact O-N 3Å; C505-L509 WeakPolarHBondContact O-CB 3.17Å; C505-L509 PolarHBondContact O-N 3.5Å
506	F	97.5	Very high	87.6	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.4	-38.4	176.4	-177.2	-110.1	0	0	0	112	L469 Y472 M485 L488 L489 L492 T502 F503 W504 L509 M510	L469-F506 HydrophobicContact CD2-CE1 4.04Å; L469-F506 HydrophobicContact CD2-CZ 3.94Å; Y472-F506 HydrophobicContact CD1-CE1 4.24Å; Y472-F506 AromaticContact CD2-CD1 3.76Å; Y472-F506 HydrophobicContact CD2-CD1 3.76Å; Y472-F506 AromaticContact CD2-CE1 3.74Å; Y472-F506 HydrophobicContact CD2-CE1 3.74Å; Y472-F506 HydrophobicContact CE2-CD1 4.32Å; Y472-F506 HydrophobicContact CE2-CE1 4.2Å; Y472-F506 HydrophobicContact CG-CD1 4.14Å; Y472-F506 AromaticContact CG-CE1 3.76Å; Y472-F506 HydrophobicContact CG-CE1 3.76Å; M485-F506 HydrophobicContact CB-CZ 4.17Å; M485-F506 HydrophobicContact CE-CE1 3.69Å; M485-F506 HydrophobicContact CE-CZ 3.55Å; M485-F506 HydrophobicContact CG-CZ 4.46Å; L488-F506 HydrophobicContact CB-CE2 4.18Å; L489-F506 HydrophobicContact CB-CD2 3.88Å; L489-F506 HydrophobicContact CB-CE2 3.77Å; L489-F506 HydrophobicContact CB-CZ 4.39Å; L489-F506 HydrophobicContact CD1-CB 4Å; L489-F506 HydrophobicContact CD1-CD2 3.94Å; L489-F506 HydrophobicContact CD1-CG 3.94Å; L489-F506 HydrophobicContact CG-CD2 4.48Å; L492-F506 HydrophobicContact CD1-CB 3.88Å; L492-F506 HydrophobicContact CD1-CD2 4.08Å; T502-F506 VanDerWaalsContact O-CB 3.25Å; T502-F506 WeakPolarHBondContact O-CB 3.39Å; T502-F506 PolarHBondContact O-N 3.43Å; F503-F506 WeakPolarHBondContact O-CB 3.4Å; F503-F506 PolarHBondContact O-N 2.99Å; F503-F506 VanDerWaalsContact O-N 3.17Å; W504-F506 VanDerWaalsContact C-N 3.28Å; W504-F506 PolarHBondContact O-N 2.95Å; F506-L509 HydrophobicContact CD2-CD2 4.47Å; F506-L509 PolarHBondContact O-N 2.99Å; F506-M510 HydrophobicContact CD1-CG 4.16Å; F506-M510 HydrophobicContact CD2-CG 4.36Å; F506-M510 HydrophobicContact CE1-CG 3.78Å; F506-M510 HydrophobicContact CE1-SD 4.34Å; F506-M510 HydrophobicContact CE2-CG 3.99Å; F506-M510 HydrophobicContact CE2-SD 3.87Å; F506-M510 HydrophobicContact CG-CG 4.44Å; F506-M510 HydrophobicContact CZ-CG 3.69Å; F506-M510 HydrophobicContact CZ-SD 3.66Å; F506-M510 WeakPolarHBondContact O-CB 3.38Å; F506-M510 VanDerWaalsContact O-CG 3.25Å; F506-M510 WeakPolarHBondContact O-CG 3.48Å; F506-M510 PolarHBondContact O-N 3.38Å
507	V	95.4	Very high	84.7	Confident	8 Å²	8	30 Å²	30	5%	0.048	16%	0.156	C	C	.	.	H	α-helix	trans	-57.7	-51.2	171.5	171	0	0	0	0	110.6	Y472 F475 F503 W504 L509 M510 E511	Y472-V507 HydrophobicContact CD2-CG2 4.08Å; Y472-V507 HydrophobicContact CE2-CG2 4.23Å; F475-V507 HydrophobicContact CD1-CG1 4.48Å; F475-V507 HydrophobicContact CD1-CG2 4Å; F475-V507 HydrophobicContact CE1-CB 4.4Å; F475-V507 HydrophobicContact CE1-CG1 3.57Å; F475-V507 HydrophobicContact CE1-CG2 3.86Å; F475-V507 HydrophobicContact CZ-CG1 3.84Å; F475-V507 HydrophobicContact CZ-CG2 4.35Å; F503-V507 HydrophobicContact CD1-CG2 4.24Å; F503-V507 HydrophobicContact CE1-CG2 3.75Å; F503-V507 HydrophobicContact CE2-CG2 4.46Å; F503-V507 HydrophobicContact CZ-CG2 3.87Å; F503-V507 WeakPolarHBondContact O-CG2 3.46Å; F503-V507 PolarHBondContact O-N 3.45Å; W504-V507 HydrophobicContact CE3-CB 4.23Å; W504-V507 HydrophobicContact CE3-CG1 4.45Å; W504-V507 HydrophobicContact CE3-CG2 4.14Å; W504-V507 HydrophobicContact CZ3-CG2 4.37Å; W504-V507 PolarHBondContact O-N 2.89Å; V507-L509 VanDerWaalsContact C-N 3.31Å; V507-L509 PolarHBondContact O-N 2.65Å; V507-M510 PolarHBondContact O-N 3.17Å; V507-M510 VanDerWaalsContact O-N 3.08Å; V507-E511 WeakPolarHBondContact O-CG 3.23Å; V507-E511 PolarHBondContact O-N 3.22Å
508	G	93.1	Very high	81.7	Confident	5 Å²	5	28.8 Å²	28.8	5%	0.052	17%	0.166	C	C	.	.	H	α-helix	trans	-60.4	-37.7	177.3	0	0	0	0	0	113.5	W504 C505 E511 R512	W504-G508 PolarHBondContact O-N 3.32Å; C505-G508 PolarHBondContact O-N 3Å; G508-E511 PolarHBondContact O-N 3.23Å; G508-R512 WeakPolarHBondContact O-CG 3.49Å; G508-R512 PolarHBondContact O-N 3.39Å; G508-R512 VanDerWaalsContact O-N 3.1Å
509	L	92.5	Very high	78.9	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.1	-43.6	173	177	59.2	0	0	0	111.7	L392 L488 L492 C505 F506 V507 R512 T513 W581 W585	L392-L509 HydrophobicContact CD2-CB 4.13Å; L488-L509 HydrophobicContact CB-CD2 4.19Å; L492-L509 HydrophobicContact CD1-CB 4.28Å; L492-L509 HydrophobicContact CD1-CD2 3.82Å; L492-L509 HydrophobicContact CG-CD2 4.37Å; C505-L509 WeakPolarHBondContact O-CB 3.17Å; C505-L509 PolarHBondContact O-N 3.5Å; F506-L509 HydrophobicContact CD2-CD2 4.47Å; F506-L509 PolarHBondContact O-N 2.99Å; V507-L509 VanDerWaalsContact C-N 3.31Å; V507-L509 PolarHBondContact O-N 2.65Å; L509-R512 CarbonylContact O-C 3.52Å; L509-R512 PolarHBondContact O-N 3.45Å; L509-T513 WeakPolarHBondContact O-CB 3.34Å; L509-T513 PolarHBondContact O-N 3.5Å; L509-T513 PolarHBondContact O-OG1 3.06Å; L509-W581 HydrophobicContact CD2-CZ3 4.46Å; L509-W585 HydrophobicContact CD1-CZ2 3.66Å
510	M	89.2	Confident	75.9	Confident	6 Å²	6	34.4 Å²	34.4	3%	0.03	21%	0.206	C	C	.	.	H	α-helix	trans	-68.9	-36	179.7	-69.9	-55	-60.7	0	0	111.9	Y472 M485 L488 F506 V507 R512 T513 V514	Y472-M510 HydrophobicContact CE2-CB 3.86Å; Y472-M510 HydrophobicContact CE2-CG 3.75Å; Y472-M510 VanDerWaalsContact OH-CB 3.23Å; Y472-M510 WeakPolarHBondContact OH-CB 3.37Å; M485-M510 HydrophobicContact CE-CE 3.77Å; M485-M510 HydrophobicContact CE-CG 4.45Å; M485-M510 HydrophobicContact CE-SD 4.09Å; M485-M510 HydrophobicContact CG-CE 3.93Å; M485-M510 HydrophobicContact CG-SD 4.2Å; M485-M510 HydrophobicContact SD-CE 3.81Å; L488-M510 HydrophobicContact CD1-SD 4.17Å; F506-M510 HydrophobicContact CD1-CG 4.16Å; F506-M510 HydrophobicContact CD2-CG 4.36Å; F506-M510 HydrophobicContact CE1-CG 3.78Å; F506-M510 HydrophobicContact CE1-SD 4.34Å; F506-M510 HydrophobicContact CE2-CG 3.99Å; F506-M510 HydrophobicContact CE2-SD 3.87Å; F506-M510 HydrophobicContact CG-CG 4.44Å; F506-M510 HydrophobicContact CZ-CG 3.69Å; F506-M510 HydrophobicContact CZ-SD 3.66Å; F506-M510 WeakPolarHBondContact O-CB 3.38Å; F506-M510 VanDerWaalsContact O-CG 3.25Å; F506-M510 WeakPolarHBondContact O-CG 3.48Å; F506-M510 PolarHBondContact O-N 3.38Å; V507-M510 PolarHBondContact O-N 3.17Å; V507-M510 VanDerWaalsContact O-N 3.08Å; M510-R512 VanDerWaalsContact C-N 3.3Å; M510-R512 PolarHBondContact O-N 2.92Å; M510-T513 PolarHBondContact O-N 2.89Å; M510-V514 HydrophobicContact CE-CG2 3.5Å; M510-V514 VanDerWaalsContact CE-CG2 3.5Å; M510-V514 WeakPolarHBondContact O-CA 3.46Å; M510-V514 WeakPolarHBondContact O-CB 3.42Å; M510-V514 WeakPolarHBondContact O-CG2 3.37Å; M510-V514 PolarHBondContact O-N 2.93Å
511	E	83.4	Confident	73.3	Confident	105 Å²	105	41 Å²	41	49%	0.491	24%	0.241	S	C	.	.	H	α-helix	trans	-62.2	-39.9	171.8	-71.6	178.2	169.3	0	0	111.2	V507 G508 S515	V507-E511 WeakPolarHBondContact O-CG 3.23Å; V507-E511 PolarHBondContact O-N 3.22Å; G508-E511 PolarHBondContact O-N 3.23Å; E511-S515 VanDerWaalsContact O-CA 3.22Å; E511-S515 WeakPolarHBondContact O-CA 3.46Å; E511-S515 WeakPolarHBondContact O-CB 3.44Å; E511-S515 PolarHBondContact O-N 3.03Å; E511-S515 PolarHBondContact O-OG 3.48Å
512	R	76.4	Confident	70.5	Confident	31 Å²	31	45 Å²	45	12%	0.117	26%	0.258	C	S	.	.	H	α-helix	trans	-72.5	-30.2	174.4	-70	170.4	172.7	-123.2	13	113	L391 D393 G508 L509 M510 I516 W585	L391-R512 PolarHBondContact O-NH2 2.91Å; D393-R512 IonicContact OD1-NH2 3.4Å; D393-R512 PolarHBondContact OD1-NH2 2.96Å; D393-R512 IonicContact OD2-CZ 2.69Å; D393-R512 IonicContact OD2-NE 3.46Å; D393-R512 PolarHBondContact OD2-NE 2.91Å; D393-R512 IonicContact OD2-NH2 2.75Å; D393-R512 PolarHBondContact OD2-NH2 3.45Å; G508-R512 WeakPolarHBondContact O-CG 3.49Å; G508-R512 PolarHBondContact O-N 3.39Å; G508-R512 VanDerWaalsContact O-N 3.1Å; L509-R512 CarbonylContact O-C 3.52Å; L509-R512 PolarHBondContact O-N 3.45Å; M510-R512 VanDerWaalsContact C-N 3.3Å; M510-R512 PolarHBondContact O-N 2.92Å; R512-I516 HydrophobicContact CB-CD1 4.16Å; R512-I516 WeakPolarHBondContact O-CB 3.18Å; R512-I516 WeakPolarHBondContact O-CD1 3.49Å; R512-I516 WeakPolarHBondContact O-CG1 3.22Å; R512-W585 VanDerWaalsContact NH1-C 3.31Å; R512-W585 PolarHBondContact NH1-O 3.19Å
513	T	70.4	Confident	68.1	Low	16 Å²	16	48.1 Å²	48.1	10%	0.098	28%	0.275	C	S	.	.	H	α-helix	trans	-82.9	-37.6	-179	-57.7	0	0	0	0	112.2	L488 L509 M510 W567	L488-T513 HydrophobicContact CD1-CG2 4.39Å; L509-T513 WeakPolarHBondContact O-CB 3.34Å; L509-T513 PolarHBondContact O-N 3.5Å; L509-T513 PolarHBondContact O-OG1 3.06Å; M510-T513 PolarHBondContact O-N 2.89Å; T513-W567 PolarHBondContact OG1-NE1 2.69Å
514	V	61.1	Low	65.8	Low	32 Å²	32	48.4 Å²	48.4	19%	0.194	28%	0.277	C	S	.	.	H	α-helix	trans	-104.7	-30.7	-170.5	-174.1	0	0	0	0	112.4	V479 M510 L523	V479-V514 HydrophobicContact CG2-CG1 4.38Å; M510-V514 HydrophobicContact CE-CG2 3.5Å; M510-V514 VanDerWaalsContact CE-CG2 3.5Å; M510-V514 WeakPolarHBondContact O-CA 3.46Å; M510-V514 WeakPolarHBondContact O-CB 3.42Å; M510-V514 WeakPolarHBondContact O-CG2 3.37Å; M510-V514 PolarHBondContact O-N 2.93Å; V514-L523 HydrophobicContact CG1-CB 4.1Å; V514-L523 HydrophobicContact CG1-CD2 3.47Å; V514-L523 VanDerWaalsContact CG1-CD2 3.47Å; V514-L523 HydrophobicContact CG1-CG 4.39Å
515	S	55	Low	63.7	Low	73 Å²	73	49 Å²	49	51%	0.51	28%	0.28	S	S	.	.	S	Bend	trans	-101.3	5.2	-175	-45.4	0	0	0	0	114.8	E511 S517	E511-S515 VanDerWaalsContact O-CA 3.22Å; E511-S515 WeakPolarHBondContact O-CA 3.46Å; E511-S515 WeakPolarHBondContact O-CB 3.44Å; E511-S515 PolarHBondContact O-N 3.03Å; E511-S515 PolarHBondContact O-OG 3.48Å; S515-S517 PolarHBondContact O-N 3.46Å
516	I	51.7	Low	61.7	Low	23 Å²	23	53 Å²	53	12%	0.118	30%	0.298	C	S	.	.			trans	-73.5	50.3	170.2	-69.5	-177.2	0	0	0	110.1	R512 A591 Y592	R512-I516 HydrophobicContact CB-CD1 4.16Å; R512-I516 WeakPolarHBondContact O-CB 3.18Å; R512-I516 WeakPolarHBondContact O-CD1 3.49Å; R512-I516 WeakPolarHBondContact O-CG1 3.22Å; I516-A591 WeakPolarHBondContact CD1-O 3.45Å; I516-Y592 HydrophobicContact CB-CE1 4.34Å; I516-Y592 HydrophobicContact CG2-CD1 3.26Å; I516-Y592 HydrophobicContact CG2-CD2 4.03Å; I516-Y592 HydrophobicContact CG2-CE1 3.02Å; I516-Y592 HydrophobicContact CG2-CE2 3.78Å; I516-Y592 HydrophobicContact CG2-CG 3.77Å; I516-Y592 VanDerWaalsContact O-CE1 3.26Å; I516-Y592 WeakPolarHBondContact O-CE1 3.35Å; I516-Y592 PolarHBondContact O-OH 3.03Å
517	S	35.7	Very low	60.6	Low	16 Å²	16	54.5 Å²	54.5	11%	0.112	31%	0.306	C	S	.	.	S	Bend	trans	-152.3	89.9	-177.4	-79	0	0	0	0	106.3	S515 N527	S515-S517 PolarHBondContact O-N 3.46Å; S517-N527 WeakPolarHBondContact CB-ND2 3.37Å; S517-N527 VanDerWaalsContact OG-CB 3.25Å; S517-N527 WeakPolarHBondContact OG-CB 3.46Å; S517-N527 PolarHBondContact OG-ND2 3.06Å
518	G	33.8	Very low	60.2	Low	60 Å²	60	54.4 Å²	54.4	62%	0.619	31%	0.306	S	S	*	.			trans	-54.7	144.2	-172.8	0	0	0	0	0	113.7	R520	G518-R520 PolarHBondContact O-N 2.76Å
519	A	35.2	Very low	59.9	Low	118 Å²	118	55 Å²	55	98%	0.975	31%	0.308	S	S	*	.	S	Bend	trans	47.7	3.6	159.4	0	0	0	0	0	120.2
520	R	36	Very low	59.7	Low	150 Å²	150	61.2 Å²	61.2	57%	0.566	34%	0.337	S	S	*	.			trans	-102.1	124	171.7	-65.4	-174	178.9	-172.2	-1	108.1	G518 E522 M684	G518-R520 PolarHBondContact O-N 2.76Å; R520-E522 PolarHBondContact O-N 3.25Å; R520-M684 PolarHBondContact NH2-SD 2.85Å
521	D	41.8	Very low	59.8	Low	156 Å²	156	61.8 Å²	61.8	83%	0.834	34%	0.34	S	S	*	.	S	Bend	trans	-59.7	13.7	178.5	-99.7	-45.7	0	0	0	115.1
522	E	39.6	Very low	60.3	Low	122 Å²	122	56.8 Å²	56.8	57%	0.57	32%	0.317	S	S	*	.	S	Bend	trans	-109	113.6	-178.1	-68.4	179.2	168.1	0	0	109.6	R520 C524	R520-E522 PolarHBondContact O-N 3.25Å; E522-C524 HydrophobicContact CB-CB 4.32Å; E522-C524 PolarHBondContact O-N 3.24Å
523	L	46.7	Very low	61.1	Low	65 Å²	65	56.9 Å²	56.9	34%	0.34	32%	0.321	S	S	.	.			trans	-61.6	78.3	170.1	-63	160.2	0	0	0	109.2	K478 V479 V514	K478-L523 HydrophobicContact CB-CD1 3.76Å; V479-L523 HydrophobicContact CB-CD1 4.47Å; V479-L523 HydrophobicContact CG2-CD1 3.53Å; V479-L523 HydrophobicContact CG2-CD2 3.56Å; V479-L523 HydrophobicContact CG2-CG 4.14Å; V514-L523 HydrophobicContact CG1-CB 4.1Å; V514-L523 HydrophobicContact CG1-CD2 3.47Å; V514-L523 VanDerWaalsContact CG1-CD2 3.47Å; V514-L523 HydrophobicContact CG1-CG 4.39Å
524	C	50.1	Low	62.3	Low	6 Å²	6	57.2 Å²	57.2	4%	0.041	33%	0.325	C	S	.	.			trans	-120.6	95.1	-164	-141	0	0	0	0	112.6	E522 E526 N527	E522-C524 HydrophobicContact CB-CB 4.32Å; E522-C524 PolarHBondContact O-N 3.24Å; C524-E526 PolarHBondContact O-N 3.23Å; C524-E526 VanDerWaalsContact O-N 3.12Å; C524-E526 VanDerWaalsContact SG-CB 3.54Å; C524-E526 PolarHBondContact SG-OE2 3.04Å; C524-N527 PolarHBondContact O-N 3.31Å
525	F	55.1	Low	63.9	Low	35 Å²	35	55.7 Å²	55.7	15%	0.154	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-30.2	161.6	175.2	-103.5	0	0	0	112.7	N527 N528 L529 H561 L564 L565	F525-N527 PolarHBondContact O-N 3.46Å; F525-N528 WeakPolarHBondContact O-CB 3.45Å; F525-N528 PolarHBondContact O-N 2.95Å; F525-L529 HydrophobicContact CD1-CD1 4.18Å; F525-L529 HydrophobicContact CE1-CD1 3.59Å; F525-L529 HydrophobicContact CE1-CG 4.16Å; F525-L529 HydrophobicContact CZ-CD1 4.32Å; F525-L529 HydrophobicContact CZ-CG 4.47Å; F525-H561 WeakPolarHBondContact CZ-O 3.45Å; F525-L564 HydrophobicContact CE2-CB 3.43Å; F525-L564 VanDerWaalsContact CE2-CB 3.43Å; F525-L564 HydrophobicContact CZ-CB 3.67Å; F525-L565 HydrophobicContact CE2-CB 4.04Å; F525-L565 HydrophobicContact CZ-CB 4.12Å
526	E	55.9	Low	66	Low	85 Å²	85	52.3 Å²	52.3	40%	0.397	29%	0.292	S	S	.	.	H	α-helix	trans	-57.5	-32.2	-179.5	-58.2	-178.7	158.2	0	0	112.8	V194 C524 N528 L529 E530	V194-E526 VanDerWaalsContact CG1-CD 3.46Å; V194-E526 HydrophobicContact CG1-CG 3.62Å; V194-E526 WeakPolarHBondContact CG1-OE1 3.49Å; V194-E526 HydrophobicContact CG2-CG 4.43Å; V194-E526 WeakPolarHBondContact CG2-OE1 3.3Å; V194-E526 VanDerWaalsContact CG2-OE2 3.28Å; V194-E526 WeakPolarHBondContact CG2-OE2 3.11Å; C524-E526 PolarHBondContact O-N 3.23Å; C524-E526 VanDerWaalsContact O-N 3.12Å; C524-E526 VanDerWaalsContact SG-CB 3.54Å; C524-E526 PolarHBondContact SG-OE2 3.04Å; E526-N528 VanDerWaalsContact C-N 3.26Å; E526-N528 PolarHBondContact O-N 3.28Å; E526-L529 PolarHBondContact O-N 3.3Å; E526-E530 WeakPolarHBondContact O-CG 3.49Å; E526-E530 PolarHBondContact O-N 3.29Å
527	N	75.2	Confident	68.1	Low	32 Å²	32	56 Å²	56	17%	0.171	31%	0.307	C	S	.	.	H	α-helix	trans	-60.8	-35.3	176.7	-68.7	-23.3	0	0	0	112.2	S517 C524 F525 L531	S517-N527 WeakPolarHBondContact CB-ND2 3.37Å; S517-N527 VanDerWaalsContact OG-CB 3.25Å; S517-N527 WeakPolarHBondContact OG-CB 3.46Å; S517-N527 PolarHBondContact OG-ND2 3.06Å; C524-N527 PolarHBondContact O-N 3.31Å; F525-N527 PolarHBondContact O-N 3.46Å; N527-L531 VanDerWaalsContact O-CB 3.31Å; N527-L531 WeakPolarHBondContact O-CB 3.36Å; N527-L531 WeakPolarHBondContact O-CD1 3.28Å; N527-L531 WeakPolarHBondContact O-CG 3.38Å; N527-L531 PolarHBondContact O-N 3.21Å
528	N	85.8	Confident	71	Confident	6 Å²	6	57.8 Å²	57.8	3%	0.032	32%	0.315	C	S	.	.	H	α-helix	trans	-68.4	-37.8	179.1	-78.9	-77.2	0	0	0	112	F525 E526 L532 L564 H594 L595	F525-N528 WeakPolarHBondContact O-CB 3.45Å; F525-N528 PolarHBondContact O-N 2.95Å; E526-N528 VanDerWaalsContact C-N 3.26Å; E526-N528 PolarHBondContact O-N 3.28Å; N528-L532 WeakPolarHBondContact O-CB 3.43Å; N528-L532 PolarHBondContact O-N 3.4Å; N528-L564 HydrophobicContact CB-CD1 4.19Å; N528-H594 PolarHBondContact OD1-NE2 3.25Å; N528-L595 HydrophobicContact CB-CD2 4.15Å
529	L	87.7	Confident	74	Confident	19 Å²	19	57.1 Å²	57.1	10%	0.099	30%	0.296	C	S	.	.	H	α-helix	trans	-70.2	-42	176.4	-76.6	165.9	0	0	0	111.4	F525 E526 L531 L532 V533 L557 H561 L564	F525-L529 HydrophobicContact CD1-CD1 4.18Å; F525-L529 HydrophobicContact CE1-CD1 3.59Å; F525-L529 HydrophobicContact CE1-CG 4.16Å; F525-L529 HydrophobicContact CZ-CD1 4.32Å; F525-L529 HydrophobicContact CZ-CG 4.47Å; E526-L529 PolarHBondContact O-N 3.3Å; L529-L531 VanDerWaalsContact C-N 3.35Å; L529-L532 PolarHBondContact O-N 3.01Å; L529-V533 WeakPolarHBondContact O-CG2 3.25Å; L529-V533 PolarHBondContact O-N 2.83Å; L529-L557 HydrophobicContact CD2-CB 4.42Å; L529-H561 VanDerWaalsContact CD1-CE1 3.4Å; L529-H561 WeakPolarHBondContact CD1-CE1 3.3Å; L529-H561 WeakPolarHBondContact CD1-NE2 3.43Å; L529-L564 HydrophobicContact CD2-CD1 3.79Å; L529-L564 HydrophobicContact CG-CD1 4.08Å
530	E	87.5	Confident	77	Confident	129 Å²	129	53.1 Å²	53.1	60%	0.603	26%	0.256	S	S	*	.	H	α-helix	trans	-61	-44.7	174.8	-70.5	-175.9	177.1	0	0	111.6	E526 L532 V533 A534	E526-E530 WeakPolarHBondContact O-CG 3.49Å; E526-E530 PolarHBondContact O-N 3.29Å; E530-L532 VanDerWaalsContact C-N 3.35Å; E530-L532 PolarHBondContact O-N 3.2Å; E530-V533 PolarHBondContact O-N 2.97Å; E530-A534 WeakPolarHBondContact O-CB 3.31Å; E530-A534 PolarHBondContact O-N 2.91Å
531	L	91.1	Very high	79.9	Confident	19 Å²	19	49.7 Å²	49.7	10%	0.099	25%	0.253	C	S	.	.	H	α-helix	trans	-61.1	-42.7	173.4	-73.3	170.3	0	0	0	111.4	N527 L529 A534 L535 Y592 L595 T655 L656 L659	N527-L531 VanDerWaalsContact O-CB 3.31Å; N527-L531 WeakPolarHBondContact O-CB 3.36Å; N527-L531 WeakPolarHBondContact O-CD1 3.28Å; N527-L531 WeakPolarHBondContact O-CG 3.38Å; N527-L531 PolarHBondContact O-N 3.21Å; L529-L531 VanDerWaalsContact C-N 3.35Å; L531-A534 PolarHBondContact O-N 3.19Å; L531-L535 WeakPolarHBondContact O-CB 3.5Å; L531-L535 PolarHBondContact O-N 2.82Å; L531-Y592 HydrophobicContact CD1-CD1 3.92Å; L531-Y592 HydrophobicContact CD1-CE1 3.53Å; L531-L595 HydrophobicContact CB-CD1 3.63Å; L531-L595 HydrophobicContact CD1-CD1 4.23Å; L531-T655 WeakPolarHBondContact CD2-O 3.31Å; L531-L656 HydrophobicContact CD2-CD2 4.19Å; L531-L659 HydrophobicContact CD1-CD2 4.37Å; L531-L659 HydrophobicContact CD2-CD2 4.49Å
532	L	94.3	Very high	82.6	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.3	-44.5	176.6	-178.4	60.3	0	0	0	111.5	N528 L529 E530 A534 L535 V536 L557 A560 L564 L595 A598	N528-L532 WeakPolarHBondContact O-CB 3.43Å; N528-L532 PolarHBondContact O-N 3.4Å; L529-L532 PolarHBondContact O-N 3.01Å; E530-L532 VanDerWaalsContact C-N 3.35Å; E530-L532 PolarHBondContact O-N 3.2Å; L532-A534 PolarHBondContact O-N 3.13Å; L532-L535 PolarHBondContact O-N 2.8Å; L532-V536 HydrophobicContact CD1-CG2 4.13Å; L532-V536 HydrophobicContact CG-CG2 4.38Å; L532-V536 WeakPolarHBondContact O-CB 3.25Å; L532-V536 VanDerWaalsContact O-CG2 3.22Å; L532-V536 WeakPolarHBondContact O-CG2 3.34Å; L532-V536 PolarHBondContact O-N 3.31Å; L532-L557 HydrophobicContact CD2-CD1 3.97Å; L532-L557 HydrophobicContact CG-CD1 4.03Å; L532-A560 HydrophobicContact CD2-CB 3.99Å; L532-L564 HydrophobicContact CD2-CD1 4.12Å; L532-L595 HydrophobicContact CB-CD2 4.44Å; L532-A598 HydrophobicContact CD1-CB 3.84Å; L532-A598 HydrophobicContact CD2-CB 3.93Å
533	V	94.3	Very high	85.3	Confident	33 Å²	33	42.5 Å²	42.5	20%	0.2	22%	0.215	C	C	.	.	H	α-helix	trans	-59.2	-47.7	176.1	169.7	0	0	0	0	110.7	L529 E530 L535 V536 K537 F544 M555 L557	L529-V533 WeakPolarHBondContact O-CG2 3.25Å; L529-V533 PolarHBondContact O-N 2.83Å; E530-V533 PolarHBondContact O-N 2.97Å; V533-L535 VanDerWaalsContact C-N 3.32Å; V533-L535 PolarHBondContact O-N 3.41Å; V533-V536 PolarHBondContact O-N 3.12Å; V533-K537 PolarHBondContact O-N 2.97Å; V533-F544 HydrophobicContact CG1-CE2 3.95Å; V533-M555 HydrophobicContact CG1-CE 3.58Å; V533-L557 HydrophobicContact CG2-CD1 3.53Å; V533-L557 HydrophobicContact CG2-CG 3.91Å
534	A	94	Very high	87.7	Confident	22 Å²	22	40.3 Å²	40.3	18%	0.182	20%	0.202	C	C	.	.	H	α-helix	trans	-63.7	-37.6	177.6	0	0	0	0	0	112.1	E530 L531 L532 K537 L538 L656	E530-A534 WeakPolarHBondContact O-CB 3.31Å; E530-A534 PolarHBondContact O-N 2.91Å; L531-A534 PolarHBondContact O-N 3.19Å; L532-A534 PolarHBondContact O-N 3.13Å; A534-K537 WeakPolarHBondContact O-CB 3.27Å; A534-K537 PolarHBondContact O-N 3.38Å; A534-L538 PolarHBondContact O-N 3.43Å; A534-L538 VanDerWaalsContact O-N 3.16Å; A534-L656 HydrophobicContact CB-CD1 4.42Å; A534-L656 HydrophobicContact CB-CD2 3.71Å; A534-L656 HydrophobicContact CB-CG 4.04Å
535	L	96.2	Very high	90	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.9	-42.6	177.6	-177.1	64.1	0	0	0	111.5	L531 L532 V533 K537 L538 M539 L595 F596 L599 F646 L656 L659	L531-L535 WeakPolarHBondContact O-CB 3.5Å; L531-L535 PolarHBondContact O-N 2.82Å; L532-L535 PolarHBondContact O-N 2.8Å; V533-L535 VanDerWaalsContact C-N 3.32Å; V533-L535 PolarHBondContact O-N 3.41Å; L535-K537 VanDerWaalsContact C-N 3.35Å; L535-L538 PolarHBondContact O-N 3Å; L535-M539 HydrophobicContact CD1-CG 3.87Å; L535-M539 WeakPolarHBondContact O-CB 3.39Å; L535-M539 PolarHBondContact O-N 3.19Å; L535-L595 HydrophobicContact CD2-CB 4.14Å; L535-F596 HydrophobicContact CD1-CE1 4.17Å; L535-F596 HydrophobicContact CD1-CZ 4.24Å; L535-F596 HydrophobicContact CD2-CD1 4.42Å; L535-F596 HydrophobicContact CD2-CE1 4.32Å; L535-F596 HydrophobicContact CD2-CZ 4.39Å; L535-L599 HydrophobicContact CD1-CD2 4.47Å; L535-L599 HydrophobicContact CD2-CB 4.31Å; L535-L599 HydrophobicContact CD2-CD2 4.09Å; L535-L599 HydrophobicContact CG-CD2 4Å; L535-F646 HydrophobicContact CD1-CD2 3.93Å; L535-F646 HydrophobicContact CD1-CE2 4.04Å; L535-L656 HydrophobicContact CB-CD2 4.12Å; L535-L659 HydrophobicContact CD1-CD1 3.97Å; L535-L659 HydrophobicContact CD2-CD1 4.29Å; L535-L659 HydrophobicContact CG-CD1 4.49Å
536	V	97.4	Very high	92	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.018	22%	0.221	C	C	.	.	H	α-helix	trans	-63.8	-40.5	174.7	174.8	0	0	0	0	110.6	L532 V533 L538 M539 Y540 F544 L599 M602	L532-V536 HydrophobicContact CD1-CG2 4.13Å; L532-V536 HydrophobicContact CG-CG2 4.38Å; L532-V536 WeakPolarHBondContact O-CB 3.25Å; L532-V536 VanDerWaalsContact O-CG2 3.22Å; L532-V536 WeakPolarHBondContact O-CG2 3.34Å; L532-V536 PolarHBondContact O-N 3.31Å; V533-V536 PolarHBondContact O-N 3.12Å; V536-L538 VanDerWaalsContact C-N 3.28Å; V536-L538 PolarHBondContact O-N 3.43Å; V536-M539 PolarHBondContact O-N 3.01Å; V536-Y540 CarbonylContact O-C 3.41Å; V536-Y540 WeakPolarHBondContact O-CA 3.48Å; V536-Y540 PolarHBondContact O-N 3.28Å; V536-F544 HydrophobicContact CG1-CB 4.16Å; V536-L599 HydrophobicContact CB-CD1 4.49Å; V536-L599 HydrophobicContact CG2-CD1 3.82Å; V536-M602 HydrophobicContact CG1-CE 4.02Å; V536-M602 HydrophobicContact CG2-CE 3.71Å; V536-M602 HydrophobicContact CG2-SD 3.68Å
537	K	96.6	Very high	93.9	Very high	101 Å²	101	38.7 Å²	38.7	44%	0.439	20%	0.202	S	C	.	.	H	α-helix	trans	-56.2	-42.5	174.1	-171.7	174.6	-177.1	170.1	0	112.4	V533 A534 L535 F544	V533-K537 PolarHBondContact O-N 2.97Å; A534-K537 WeakPolarHBondContact O-CB 3.27Å; A534-K537 PolarHBondContact O-N 3.38Å; L535-K537 VanDerWaalsContact C-N 3.35Å; K537-F544 HydrophobicContact CB-CB 4.49Å; K537-F544 HydrophobicContact CB-CD1 4.27Å; K537-F544 HydrophobicContact CB-CD2 3.46Å; K537-F544 VanDerWaalsContact CB-CD2 3.46Å; K537-F544 HydrophobicContact CB-CE1 4.45Å; K537-F544 HydrophobicContact CB-CE2 3.63Å; K537-F544 HydrophobicContact CB-CG 3.8Å; K537-F544 HydrophobicContact CB-CZ 4.17Å; K537-F544 HydrophobicContact CD-CD1 4.47Å; K537-F544 HydrophobicContact CD-CD2 4.48Å; K537-F544 HydrophobicContact CD-CE1 3.95Å; K537-F544 HydrophobicContact CD-CE2 3.91Å; K537-F544 HydrophobicContact CD-CZ 3.64Å; K537-F544 HydrophobicContact CG-CD1 3.87Å; K537-F544 HydrophobicContact CG-CD2 3.94Å; K537-F544 HydrophobicContact CG-CE1 3.85Å; K537-F544 HydrophobicContact CG-CE2 3.87Å; K537-F544 HydrophobicContact CG-CG 3.94Å; K537-F544 HydrophobicContact CG-CZ 3.86Å
538	L	96.8	Very high	94.9	Very high	53 Å²	53	42.3 Å²	42.3	28%	0.277	22%	0.218	S	C	.	.	H	α-helix	trans	-76.5	-46.1	-178.5	-178.3	63.1	0	0	0	112.4	A534 L535 V536 F646 L649 L656	A534-L538 PolarHBondContact O-N 3.43Å; A534-L538 VanDerWaalsContact O-N 3.16Å; L535-L538 PolarHBondContact O-N 3Å; V536-L538 VanDerWaalsContact C-N 3.28Å; V536-L538 PolarHBondContact O-N 3.43Å; L538-F646 HydrophobicContact CD2-CD2 4.09Å; L538-F646 HydrophobicContact CD2-CE2 3.9Å; L538-L649 HydrophobicContact CD1-CD1 4.26Å; L538-L649 HydrophobicContact CD2-CD1 3.61Å; L538-L649 HydrophobicContact CG-CD1 3.96Å; L538-L656 HydrophobicContact CB-CD1 4.22Å; L538-L656 HydrophobicContact CD2-CD1 3.65Å
539	M	97.4	Very high	95.4	Very high	45 Å²	45	46 Å²	46	22%	0.222	25%	0.245	C	C	.	.	H	α-helix	trans	-101.3	-19.5	-165.9	-62	-89.7	58.7	0	0	114.3	L535 V536 L599 F646 L649	L535-M539 HydrophobicContact CD1-CG 3.87Å; L535-M539 WeakPolarHBondContact O-CB 3.39Å; L535-M539 PolarHBondContact O-N 3.19Å; V536-M539 PolarHBondContact O-N 3.01Å; M539-L599 HydrophobicContact CB-CD1 4.41Å; M539-L599 HydrophobicContact CB-CD2 3.72Å; M539-L599 HydrophobicContact CG-CD2 4.1Å; M539-F646 HydrophobicContact SD-CB 3.89Å; M539-F646 HydrophobicContact SD-CD2 4.18Å; M539-L649 HydrophobicContact CE-CD1 3.97Å; M539-L649 HydrophobicContact CE-CD2 4.24Å; M539-L649 HydrophobicContact SD-CD1 4.22Å
540	Y	97.4	Very high	95.7	Very high	34 Å²	34	47.2 Å²	47.2	13%	0.133	25%	0.251	C	S	.	.			trans	-139.5	63.5	174.9	-163.2	-174.2	0	0	0	111.8	V536 E542 L543 F544 M602 T603 L610	V536-Y540 CarbonylContact O-C 3.41Å; V536-Y540 WeakPolarHBondContact O-CA 3.48Å; V536-Y540 PolarHBondContact O-N 3.28Å; Y540-E542 HydrophobicContact CD2-CB 4.41Å; Y540-E542 HydrophobicContact CE2-CB 4.18Å; Y540-E542 PolarHBondContact O-N 3.02Å; Y540-E542 VanDerWaalsContact O-N 3.15Å; Y540-L543 HydrophobicContact CD1-CB 3.52Å; Y540-L543 HydrophobicContact CD1-CD2 3.6Å; Y540-L543 HydrophobicContact CD1-CG 4.21Å; Y540-L543 HydrophobicContact CD2-CB 4.05Å; Y540-L543 HydrophobicContact CE1-CB 3.61Å; Y540-L543 HydrophobicContact CE1-CD2 3.67Å; Y540-L543 HydrophobicContact CE1-CG 4.22Å; Y540-L543 HydrophobicContact CE2-CB 4.13Å; Y540-L543 HydrophobicContact CG-CB 3.76Å; Y540-L543 PolarHBondContact O-N 3.43Å; Y540-L543 VanDerWaalsContact O-N 3.11Å; Y540-F544 PolarHBondContact O-N 2.93Å; Y540-F544 VanDerWaalsContact O-N 3.07Å; Y540-M602 WeakPolarHBondContact CE1-O 3.47Å; Y540-T603 HydrophobicContact CD1-CG2 3.64Å; Y540-T603 HydrophobicContact CE1-CG2 4.25Å; Y540-T603 HydrophobicContact CG-CG2 4.08Å; Y540-L610 HydrophobicContact CE2-CD1 4.34Å; Y540-L610 WeakPolarHBondContact OH-CD1 3.48Å
541	P	97.2	Very high	96	Very high	78 Å²	78	42.5 Å²	42.5	51%	0.506	24%	0.237	S	C	.	.	H	α-helix	trans	-60.8	-29.1	-170.6	23.2	-34.9	0	0	0	114.1	F544 A545	P541-F544 PolarHBondContact O-N 2.82Å; P541-A545 WeakPolarHBondContact O-CB 3.47Å; P541-A545 PolarHBondContact O-N 2.85Å
542	E	97.7	Very high	95.8	Very high	127 Å²	127	50.2 Å²	50.2	59%	0.593	27%	0.27	S	S	*	.	H	α-helix	trans	-63.8	-46.5	176.4	-172.4	-175.4	-175.7	0	0	111.7	Y540 Y546 L610	Y540-E542 HydrophobicContact CD2-CB 4.41Å; Y540-E542 HydrophobicContact CE2-CB 4.18Å; Y540-E542 PolarHBondContact O-N 3.02Å; Y540-E542 VanDerWaalsContact O-N 3.15Å; E542-Y546 WeakPolarHBondContact O-CB 3.44Å; E542-Y546 PolarHBondContact O-N 2.82Å; E542-Y546 VanDerWaalsContact O-N 3.09Å; E542-L610 HydrophobicContact CB-CD1 4.44Å; E542-L610 HydrophobicContact CG-CD1 3.81Å; E542-L610 HydrophobicContact CG-CD2 4.23Å
543	L	97	Very high	95.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-68	-41.1	176	-177.6	64	0	0	0	111.1	Y540 Y546 L547 M602 V609 L610	Y540-L543 HydrophobicContact CD1-CB 3.52Å; Y540-L543 HydrophobicContact CD1-CD2 3.6Å; Y540-L543 HydrophobicContact CD1-CG 4.21Å; Y540-L543 HydrophobicContact CD2-CB 4.05Å; Y540-L543 HydrophobicContact CE1-CB 3.61Å; Y540-L543 HydrophobicContact CE1-CD2 3.67Å; Y540-L543 HydrophobicContact CE1-CG 4.22Å; Y540-L543 HydrophobicContact CE2-CB 4.13Å; Y540-L543 HydrophobicContact CG-CB 3.76Å; Y540-L543 PolarHBondContact O-N 3.43Å; Y540-L543 VanDerWaalsContact O-N 3.11Å; L543-Y546 PolarHBondContact O-N 2.89Å; L543-L547 HydrophobicContact CD1-CD1 4.28Å; L543-L547 HydrophobicContact CD1-CG 4.16Å; L543-L547 HydrophobicContact CG-CD1 3.98Å; L543-L547 HydrophobicContact CG-CG 4.28Å; L543-L547 VanDerWaalsContact O-CG 3.31Å; L543-L547 WeakPolarHBondContact O-CG 3.37Å; L543-L547 PolarHBondContact O-N 3.23Å; L543-M602 HydrophobicContact CD2-CB 3.93Å; L543-M602 HydrophobicContact CD2-CE 3.67Å; L543-V609 HydrophobicContact CD1-CG1 4.26Å; L543-L610 HydrophobicContact CD1-CD2 4.44Å; L543-L610 HydrophobicContact CD1-CG 4.39Å
544	F	97.2	Very high	95	Very high	19 Å²	19	53.4 Å²	53.4	8%	0.083	29%	0.286	C	S	.	.	H	α-helix	trans	-55.1	-54.1	174.6	176.8	-90.2	0	0	0	111.5	V533 V536 K537 Y540 P541 Y546 L547 E548 M555	V533-F544 HydrophobicContact CG1-CE2 3.95Å; V536-F544 HydrophobicContact CG1-CB 4.16Å; K537-F544 HydrophobicContact CB-CB 4.49Å; K537-F544 HydrophobicContact CB-CD1 4.27Å; K537-F544 HydrophobicContact CB-CD2 3.46Å; K537-F544 VanDerWaalsContact CB-CD2 3.46Å; K537-F544 HydrophobicContact CB-CE1 4.45Å; K537-F544 HydrophobicContact CB-CE2 3.63Å; K537-F544 HydrophobicContact CB-CG 3.8Å; K537-F544 HydrophobicContact CB-CZ 4.17Å; K537-F544 HydrophobicContact CD-CD1 4.47Å; K537-F544 HydrophobicContact CD-CD2 4.48Å; K537-F544 HydrophobicContact CD-CE1 3.95Å; K537-F544 HydrophobicContact CD-CE2 3.91Å; K537-F544 HydrophobicContact CD-CZ 3.64Å; K537-F544 HydrophobicContact CG-CD1 3.87Å; K537-F544 HydrophobicContact CG-CD2 3.94Å; K537-F544 HydrophobicContact CG-CE1 3.85Å; K537-F544 HydrophobicContact CG-CE2 3.87Å; K537-F544 HydrophobicContact CG-CG 3.94Å; K537-F544 HydrophobicContact CG-CZ 3.86Å; Y540-F544 PolarHBondContact O-N 2.93Å; Y540-F544 VanDerWaalsContact O-N 3.07Å; P541-F544 PolarHBondContact O-N 2.82Å; F544-Y546 PolarHBondContact O-N 3.34Å; F544-L547 PolarHBondContact O-N 2.84Å; F544-E548 HydrophobicContact CE1-CB 4.43Å; F544-E548 WeakPolarHBondContact O-CB 3.23Å; F544-E548 PolarHBondContact O-N 3.48Å; F544-M555 HydrophobicContact CD2-CE 3.95Å; F544-M555 HydrophobicContact CE2-CE 3.36Å; F544-M555 HydrophobicContact CZ-CE 3.9Å
545	A	97.4	Very high	94.8	Very high	52 Å²	52	54.3 Å²	54.3	43%	0.43	29%	0.287	S	S	.	.	H	α-helix	trans	-61.3	-35.7	-178.5	0	0	0	0	0	111.7	P541 S549	P541-A545 WeakPolarHBondContact O-CB 3.47Å; P541-A545 PolarHBondContact O-N 2.85Å; A545-S549 WeakPolarHBondContact O-CB 3.33Å; A545-S549 PolarHBondContact O-N 3.5Å
546	Y	97.4	Very high	94.4	Very high	37 Å²	37	58.5 Å²	58.5	15%	0.145	31%	0.307	C	S	.	.	H	α-helix	trans	-66.7	-49.9	175.5	-173.4	-107.4	0	0	0	112.3	E542 L543 F544 E548 S549 L550 V609 L610 K613 M614	E542-Y546 WeakPolarHBondContact O-CB 3.44Å; E542-Y546 PolarHBondContact O-N 2.82Å; E542-Y546 VanDerWaalsContact O-N 3.09Å; L543-Y546 PolarHBondContact O-N 2.89Å; F544-Y546 PolarHBondContact O-N 3.34Å; Y546-E548 VanDerWaalsContact C-N 3.29Å; Y546-E548 PolarHBondContact O-N 2.86Å; Y546-S549 WeakPolarHBondContact O-CB 3.47Å; Y546-S549 PolarHBondContact O-N 3.2Å; Y546-S549 VanDerWaalsContact O-N 3.11Å; Y546-S549 PolarHBondContact O-OG 3.36Å; Y546-L550 HydrophobicContact CD1-CD1 4.31Å; Y546-L550 HydrophobicContact CE1-CD1 3.85Å; Y546-L550 HydrophobicContact CE1-CD2 4.49Å; Y546-L550 HydrophobicContact CE1-CG 4.3Å; Y546-L550 PolarHBondContact O-N 2.98Å; Y546-V609 HydrophobicContact CD1-CG1 3.8Å; Y546-V609 HydrophobicContact CE1-CG1 3.62Å; Y546-L610 HydrophobicContact CD1-CD2 3.96Å; Y546-L610 HydrophobicContact CD2-CD2 4.23Å; Y546-L610 HydrophobicContact CG-CD2 3.58Å; Y546-K613 WeakPolarHBondContact OH-CA 3.25Å; Y546-K613 PolarHBondContact OH-O 2.71Å; Y546-M614 PolarHBondContact OH-N 3.29Å; Y546-M614 PolarHBondContact OH-O 2.84Å
547	L	96.4	Very high	94.1	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.016	31%	0.307	C	S	.	.	H	α-helix	trans	-61.4	-39.1	177.3	-65.4	173.6	0	0	0	111.4	L543 F544 S549 L550 S554 M555 L557 F559 M602 V619	L543-L547 HydrophobicContact CD1-CD1 4.28Å; L543-L547 HydrophobicContact CD1-CG 4.16Å; L543-L547 HydrophobicContact CG-CD1 3.98Å; L543-L547 HydrophobicContact CG-CG 4.28Å; L543-L547 VanDerWaalsContact O-CG 3.31Å; L543-L547 WeakPolarHBondContact O-CG 3.37Å; L543-L547 PolarHBondContact O-N 3.23Å; F544-L547 PolarHBondContact O-N 2.84Å; L547-S549 VanDerWaalsContact C-N 3.31Å; L547-S549 PolarHBondContact O-N 2.82Å; L547-L550 HydrophobicContact CD2-CD1 4.48Å; L547-L550 WeakPolarHBondContact O-CB 3.48Å; L547-L550 PolarHBondContact O-N 2.95Å; L547-S554 WeakPolarHBondContact CD2-OG 3.43Å; L547-S554 WeakPolarHBondContact O-CB 3.42Å; L547-M555 HydrophobicContact CB-SD 4.01Å; L547-L557 HydrophobicContact CD1-CD2 3.8Å; L547-F559 HydrophobicContact CD1-CZ 4.46Å; L547-M602 HydrophobicContact CD1-CE 4.04Å; L547-V619 HydrophobicContact CD2-CG1 4.28Å
548	E	96	Very high	93.8	Very high	108 Å²	108	55.6 Å²	55.6	51%	0.505	30%	0.295	S	S	.	.	H	α-helix	trans	-61.8	-40	174.8	-173.1	174.4	-124.1	0	0	111.3	F544 Y546 L550 G551 M555	F544-E548 HydrophobicContact CE1-CB 4.43Å; F544-E548 WeakPolarHBondContact O-CB 3.23Å; F544-E548 PolarHBondContact O-N 3.48Å; Y546-E548 VanDerWaalsContact C-N 3.29Å; Y546-E548 PolarHBondContact O-N 2.86Å; E548-L550 PolarHBondContact O-N 3.42Å; E548-G551 PolarHBondContact O-N 3.45Å; E548-G551 VanDerWaalsContact O-N 3.09Å; E548-M555 VanDerWaalsContact CA-SD 3.57Å; E548-M555 HydrophobicContact CB-SD 3.94Å; E548-M555 PolarHBondContact N-SD 2.89Å; E548-M555 VanDerWaalsContact N-SD 3.44Å
549	S	96.4	Very high	93.5	Very high	85 Å²	85	53.4 Å²	53.4	59%	0.594	28%	0.284	S	S	*	.	H	α-helix	trans	-66.4	-22.8	177.2	80.8	0	0	0	0	114.3	A545 Y546 L547 G551	A545-S549 WeakPolarHBondContact O-CB 3.33Å; A545-S549 PolarHBondContact O-N 3.5Å; Y546-S549 WeakPolarHBondContact O-CB 3.47Å; Y546-S549 PolarHBondContact O-N 3.2Å; Y546-S549 VanDerWaalsContact O-N 3.11Å; Y546-S549 PolarHBondContact O-OG 3.36Å; L547-S549 VanDerWaalsContact C-N 3.31Å; L547-S549 PolarHBondContact O-N 2.82Å; S549-G551 VanDerWaalsContact C-N 3.29Å
550	L	95	Very high	93.2	Very high	43 Å²	43	51.3 Å²	51.3	23%	0.225	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-14.7	174.8	-64.2	178.5	0	0	0	112.6	Y546 L547 E548 M614 M615 V619	Y546-L550 HydrophobicContact CD1-CD1 4.31Å; Y546-L550 HydrophobicContact CE1-CD1 3.85Å; Y546-L550 HydrophobicContact CE1-CD2 4.49Å; Y546-L550 HydrophobicContact CE1-CG 4.3Å; Y546-L550 PolarHBondContact O-N 2.98Å; L547-L550 HydrophobicContact CD2-CD1 4.48Å; L547-L550 WeakPolarHBondContact O-CB 3.48Å; L547-L550 PolarHBondContact O-N 2.95Å; E548-L550 PolarHBondContact O-N 3.42Å; L550-M614 WeakPolarHBondContact CD1-O 3.15Å; L550-M615 HydrophobicContact CD2-CE 4.23Å; L550-M615 HydrophobicContact CD2-SD 4.34Å; L550-V619 HydrophobicContact CD1-CG2 4.29Å
551	G	92.2	Very high	92.7	Very high	30 Å²	30	50.1 Å²	50.1	31%	0.309	27%	0.269	S	S	.	.			trans	109	178.7	176.2	0	0	0	0	0	114.5	E548 S549 D553 S554 M555	E548-G551 PolarHBondContact O-N 3.45Å; E548-G551 VanDerWaalsContact O-N 3.09Å; S549-G551 VanDerWaalsContact C-N 3.29Å; G551-D553 VanDerWaalsContact C-N 3.29Å; G551-D553 PolarHBondContact O-N 3.38Å; G551-S554 PolarHBondContact O-N 3.03Å; G551-S554 VanDerWaalsContact O-N 3.17Å; G551-M555 PolarHBondContact O-N 3.49Å
552	K	88	Confident	92.2	Very high	182 Å²	182	47.2 Å²	47.2	79%	0.791	25%	0.248	S	C	*	.	H	α-helix	trans	-59.8	-35.5	-171.8	-66.7	-173.9	178.6	-176.2	0	113.5	S554 M555 Q556	K552-S554 VanDerWaalsContact C-N 3.32Å; K552-S554 PolarHBondContact O-N 3.16Å; K552-M555 WeakPolarHBondContact O-CB 3.27Å; K552-M555 PolarHBondContact O-N 2.85Å; K552-M555 VanDerWaalsContact O-N 3.14Å; K552-Q556 PolarHBondContact O-N 3.32Å
553	D	84.2	Confident	91.9	Very high	98 Å²	98	41.2 Å²	41.2	52%	0.524	22%	0.22	S	C	.	.	H	α-helix	trans	-65.7	-36.6	-179.3	-59.4	-27.6	0	0	0	111.6	G551 M555 Q556 H616	G551-D553 VanDerWaalsContact C-N 3.29Å; G551-D553 PolarHBondContact O-N 3.38Å; D553-M555 VanDerWaalsContact C-N 3.27Å; D553-M555 PolarHBondContact O-N 3.37Å; D553-Q556 WeakPolarHBondContact O-CB 3.43Å; D553-Q556 PolarHBondContact O-N 3.45Å; D553-Q556 PolarHBondContact OD1-NE2 3.35Å; D553-H616 VanDerWaalsContact C-CE1 3.48Å; D553-H616 PolarHBondContact O-CE1 3.33Å; D553-H616 VanDerWaalsContact O-CE1 3.3Å
554	S	87.3	Confident	91.5	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.007	22%	0.221	C	C	.	.	H	α-helix	trans	-67.6	-28.7	174.8	-168.2	0	0	0	0	112.8	L547 G551 K552 Q556 L557 H616	L547-S554 WeakPolarHBondContact CD2-OG 3.43Å; L547-S554 WeakPolarHBondContact O-CB 3.42Å; G551-S554 PolarHBondContact O-N 3.03Å; G551-S554 VanDerWaalsContact O-N 3.17Å; K552-S554 VanDerWaalsContact C-N 3.32Å; K552-S554 PolarHBondContact O-N 3.16Å; S554-Q556 VanDerWaalsContact C-N 3.26Å; S554-Q556 PolarHBondContact O-N 3.17Å; S554-L557 PolarHBondContact O-N 2.91Å; S554-H616 VanDerWaalsContact CA-ND1 3.33Å; S554-H616 WeakPolarHBondContact CA-ND1 3.33Å; S554-H616 PolarHBondContact N-ND1 3.01Å
555	M	90.2	Very high	90.9	Very high	41 Å²	41	42.1 Å²	42.1	20%	0.202	23%	0.225	C	C	.	.	H	α-helix	trans	-75.6	-12.4	177.3	-67.5	-56.1	-62.6	0	0	113.7	V533 F544 L547 E548 G551 K552 D553 L557	V533-M555 HydrophobicContact CG1-CE 3.58Å; F544-M555 HydrophobicContact CD2-CE 3.95Å; F544-M555 HydrophobicContact CE2-CE 3.36Å; F544-M555 HydrophobicContact CZ-CE 3.9Å; L547-M555 HydrophobicContact CB-SD 4.01Å; E548-M555 VanDerWaalsContact CA-SD 3.57Å; E548-M555 HydrophobicContact CB-SD 3.94Å; E548-M555 PolarHBondContact N-SD 2.89Å; E548-M555 VanDerWaalsContact N-SD 3.44Å; G551-M555 PolarHBondContact O-N 3.49Å; K552-M555 WeakPolarHBondContact O-CB 3.27Å; K552-M555 PolarHBondContact O-N 2.85Å; K552-M555 VanDerWaalsContact O-N 3.14Å; D553-M555 VanDerWaalsContact C-N 3.27Å; D553-M555 PolarHBondContact O-N 3.37Å; M555-L557 PolarHBondContact O-N 3.08Å
556	Q	87.8	Confident	90.4	Very high	89 Å²	89	40 Å²	40	42%	0.416	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-10.9	171.8	-60.1	178.2	33.8	0	0	112.4	K552 D553 S554 L558 H561	K552-Q556 PolarHBondContact O-N 3.32Å; D553-Q556 WeakPolarHBondContact O-CB 3.43Å; D553-Q556 PolarHBondContact O-N 3.45Å; D553-Q556 PolarHBondContact OD1-NE2 3.35Å; S554-Q556 VanDerWaalsContact C-N 3.26Å; S554-Q556 PolarHBondContact O-N 3.17Å; Q556-L558 VanDerWaalsContact C-N 3.27Å; Q556-L558 HydrophobicContact CB-CD2 4Å; Q556-L558 HydrophobicContact CB-CG 4.23Å; Q556-L558 PolarHBondContact O-N 2.83Å; Q556-H561 PolarHBondContact O-NE2 3.29Å
557	L	91.1	Very high	90.1	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	20%	0.201	C	C	.	.			trans	49.6	43.2	179.4	-52.3	-176.9	0	0	0	113	L529 L532 V533 L547 S554 M555 F559 A560 H561 M602	L529-L557 HydrophobicContact CD2-CB 4.42Å; L532-L557 HydrophobicContact CD2-CD1 3.97Å; L532-L557 HydrophobicContact CG-CD1 4.03Å; V533-L557 HydrophobicContact CG2-CD1 3.53Å; V533-L557 HydrophobicContact CG2-CG 3.91Å; L547-L557 HydrophobicContact CD1-CD2 3.8Å; S554-L557 PolarHBondContact O-N 2.91Å; M555-L557 PolarHBondContact O-N 3.08Å; L557-F559 HydrophobicContact CB-CE1 4.45Å; L557-F559 HydrophobicContact CB-CE2 4.48Å; L557-F559 HydrophobicContact CB-CZ 4.19Å; L557-F559 HydrophobicContact CD2-CE1 4.1Å; L557-F559 HydrophobicContact CD2-CZ 3.67Å; L557-F559 HydrophobicContact CG-CZ 4.49Å; L557-F559 PolarHBondContact O-N 2.81Å; L557-A560 HydrophobicContact CB-CB 4.28Å; L557-A560 WeakPolarHBondContact O-CA 3.42Å; L557-A560 WeakPolarHBondContact O-CB 3.42Å; L557-A560 PolarHBondContact O-N 3.42Å; L557-H561 PolarHBondContact O-CD2 2.96Å; L557-H561 VanDerWaalsContact O-CD2 3.31Å; L557-M602 HydrophobicContact CD2-CE 4.44Å
558	L	89.3	Confident	90	Very high	39 Å²	39	38.3 Å²	38.3	20%	0.204	20%	0.2	C	C	.	.	H	α-helix	trans	-49.9	-32.7	-174.3	-63	-178.1	0	0	0	113.8	Y201 Q556 A560 H561 L620	Y201-L558 HydrophobicContact CE1-CD2 4.2Å; Q556-L558 VanDerWaalsContact C-N 3.27Å; Q556-L558 HydrophobicContact CB-CD2 4Å; Q556-L558 HydrophobicContact CB-CG 4.23Å; Q556-L558 PolarHBondContact O-N 2.83Å; L558-A560 PolarHBondContact O-N 2.98Å; L558-H561 VanDerWaalsContact CA-CD2 3.44Å; L558-H561 WeakPolarHBondContact CA-CD2 3.47Å; L558-H561 PolarHBondContact O-N 3.27Å; L558-L620 HydrophobicContact CB-CD1 4.39Å
559	F	90	Very high	89.8	Confident	7 Å²	7	33.9 Å²	33.9	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-62.2	-25.5	175.2	55.6	-99.5	0	0	0	114.4	L547 L557 W563 M602 V619 L620 F623	L547-F559 HydrophobicContact CD1-CZ 4.46Å; L557-F559 HydrophobicContact CB-CE1 4.45Å; L557-F559 HydrophobicContact CB-CE2 4.48Å; L557-F559 HydrophobicContact CB-CZ 4.19Å; L557-F559 HydrophobicContact CD2-CE1 4.1Å; L557-F559 HydrophobicContact CD2-CZ 3.67Å; L557-F559 HydrophobicContact CG-CZ 4.49Å; L557-F559 PolarHBondContact O-N 2.81Å; F559-W563 AromaticContact CD2-CH2 3.86Å; F559-W563 HydrophobicContact CD2-CH2 3.86Å; F559-W563 HydrophobicContact CD2-CZ2 4.28Å; F559-W563 HydrophobicContact CD2-CZ3 4.2Å; F559-W563 HydrophobicContact CE2-CH2 4.27Å; F559-W563 HydrophobicContact CE2-CZ3 4.38Å; F559-W563 PolarHBondContact O-NE1 3.35Å; F559-M602 HydrophobicContact CE2-CE 4.17Å; F559-M602 HydrophobicContact CE2-CG 4.45Å; F559-M602 HydrophobicContact CE2-SD 4.3Å; F559-M602 HydrophobicContact CZ-CE 4.04Å; F559-V619 HydrophobicContact CD1-CG1 3.85Å; F559-V619 HydrophobicContact CE1-CG1 3.7Å; F559-L620 HydrophobicContact CB-CD1 3.74Å; F559-F623 HydrophobicContact CB-CB 3.73Å; F559-F623 HydrophobicContact CB-CD2 4.38Å; F559-F623 HydrophobicContact CB-CG 4.4Å; F559-F623 HydrophobicContact CD1-CD2 4.07Å; F559-F623 HydrophobicContact CD2-CB 4.11Å; F559-F623 AromaticContact CD2-CD2 3.71Å; F559-F623 HydrophobicContact CD2-CD2 3.71Å; F559-F623 HydrophobicContact CD2-CE2 4.27Å; F559-F623 AromaticContact CD2-CG 3.93Å; F559-F623 HydrophobicContact CD2-CG 3.93Å; F559-F623 HydrophobicContact CE1-CD2 4.26Å; F559-F623 HydrophobicContact CE1-CE2 4.43Å; F559-F623 AromaticContact CE2-CD2 3.92Å; F559-F623 HydrophobicContact CE2-CD2 3.92Å; F559-F623 HydrophobicContact CE2-CE2 4.01Å; F559-F623 HydrophobicContact CE2-CG 4.43Å; F559-F623 HydrophobicContact CG-CB 4.04Å; F559-F623 AromaticContact CG-CD2 3.79Å; F559-F623 HydrophobicContact CG-CD2 3.79Å; F559-F623 HydrophobicContact CG-CG 4.16Å; F559-F623 HydrophobicContact CZ-CD2 4.18Å; F559-F623 HydrophobicContact CZ-CE2 4.08Å
560	A	92.3	Very high	89.5	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-94	-6.3	-180	0	0	0	0	0	113.3	L532 L557 L558 W563 L564	L532-A560 HydrophobicContact CD2-CB 3.99Å; L557-A560 HydrophobicContact CB-CB 4.28Å; L557-A560 WeakPolarHBondContact O-CA 3.42Å; L557-A560 WeakPolarHBondContact O-CB 3.42Å; L557-A560 PolarHBondContact O-N 3.42Å; L558-A560 PolarHBondContact O-N 2.98Å; A560-W563 HydrophobicContact CB-CD2 4.18Å; A560-W563 HydrophobicContact CB-CE3 3.66Å; A560-W563 HydrophobicContact CB-CZ3 4.04Å; A560-W563 WeakPolarHBondContact O-CB 3.5Å; A560-W563 PolarHBondContact O-N 3.1Å; A560-L564 PolarHBondContact O-N 3.12Å; A560-L564 VanDerWaalsContact O-N 3.16Å
561	H	86.6	Confident	89.5	Confident	10 Å²	10	31.3 Å²	31.3	5%	0.046	15%	0.153	C	C	.	.	H	α-helix	trans	-61.3	-50.3	-178.7	-79.3	-130.5	0	0	0	111	Y201 L204 F525 L529 Q556 L557 L558 W563 L564 L565	Y201-H561 AromaticContact CE1-CE1 3.97Å; Y201-H561 AromaticContact CE1-ND1 3.48Å; Y201-H561 WeakPolarHBondContact CE1-ND1 2.92Å; Y201-H561 AromaticContact CE2-ND1 3.79Å; Y201-H561 AromaticContact CZ-CE1 3.54Å; Y201-H561 AromaticContact CZ-ND1 3.25Å; Y201-H561 PolarHBondContact OH-CE1 2.93Å; Y201-H561 PolarHBondContact OH-ND1 3.22Å; L204-H561 HydrophobicContact CD1-CB 3.94Å; L204-H561 HydrophobicContact CD2-CB 4.28Å; F525-H561 WeakPolarHBondContact CZ-O 3.45Å; L529-H561 VanDerWaalsContact CD1-CE1 3.4Å; L529-H561 WeakPolarHBondContact CD1-CE1 3.3Å; L529-H561 WeakPolarHBondContact CD1-NE2 3.43Å; Q556-H561 PolarHBondContact O-NE2 3.29Å; L557-H561 PolarHBondContact O-CD2 2.96Å; L557-H561 VanDerWaalsContact O-CD2 3.31Å; L558-H561 VanDerWaalsContact CA-CD2 3.44Å; L558-H561 WeakPolarHBondContact CA-CD2 3.47Å; L558-H561 PolarHBondContact O-N 3.27Å; H561-W563 VanDerWaalsContact C-N 3.25Å; H561-W563 PolarHBondContact O-N 3.2Å; H561-L564 PolarHBondContact O-N 3.26Å; H561-L565 WeakPolarHBondContact O-CB 3.47Å; H561-L565 PolarHBondContact O-N 3.16Å
562	R	86.3	Confident	89.5	Confident	17 Å²	17	30 Å²	30	6%	0.064	14%	0.139	C	C	.	.	H	α-helix	trans	-61	-36.6	178.6	-168.6	171.9	78.8	-172.1	-0.7	112.5	L204 L565 L566 E571	L204-R562 HydrophobicContact CB-CB 4.27Å; L204-R562 HydrophobicContact CB-CG 4.41Å; L204-R562 HydrophobicContact CD1-CB 4.22Å; L204-R562 HydrophobicContact CD2-CB 4.37Å; L204-R562 WeakPolarHBondContact O-CD 3.4Å; L204-R562 PolarHBondContact O-NH1 3.34Å; R562-L565 PolarHBondContact O-N 3.49Å; R562-L566 HydrophobicContact CG-CD1 3.92Å; R562-L566 HydrophobicContact CG-CG 4.45Å; R562-L566 WeakPolarHBondContact O-CB 3.35Å; R562-L566 PolarHBondContact O-N 3.17Å; R562-E571 IonicContact CZ-OE1 2.81Å; R562-E571 VanDerWaalsContact CZ-OE1 3.31Å; R562-E571 IonicContact CZ-OE2 3.9Å; R562-E571 IonicContact NE-OE1 2.94Å; R562-E571 PolarHBondContact NE-OE1 3.29Å; R562-E571 IonicContact NE-OE2 3.96Å; R562-E571 IonicContact NH2-OE1 3.46Å; R562-E571 PolarHBondContact NH2-OE1 3.15Å; R562-E571 VanDerWaalsContact NH2-OE1 3.07Å; R562-E571 IonicContact NH2-OE2 3.2Å; R562-E571 PolarHBondContact NH2-OE2 2.89Å
563	W	92	Very high	89.8	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.7	-51.2	179.5	-60.2	-2.7	0	0	0	111.1	F559 A560 H561 W567 F568 E571 A598 I601 M602 F623	F559-W563 AromaticContact CD2-CH2 3.86Å; F559-W563 HydrophobicContact CD2-CH2 3.86Å; F559-W563 HydrophobicContact CD2-CZ2 4.28Å; F559-W563 HydrophobicContact CD2-CZ3 4.2Å; F559-W563 HydrophobicContact CE2-CH2 4.27Å; F559-W563 HydrophobicContact CE2-CZ3 4.38Å; F559-W563 PolarHBondContact O-NE1 3.35Å; A560-W563 HydrophobicContact CB-CD2 4.18Å; A560-W563 HydrophobicContact CB-CE3 3.66Å; A560-W563 HydrophobicContact CB-CZ3 4.04Å; A560-W563 WeakPolarHBondContact O-CB 3.5Å; A560-W563 PolarHBondContact O-N 3.1Å; H561-W563 VanDerWaalsContact C-N 3.25Å; H561-W563 PolarHBondContact O-N 3.2Å; W563-W567 CarbonylContact O-C 3.52Å; W563-W567 WeakPolarHBondContact O-CA 3.35Å; W563-W567 PolarHBondContact O-N 3.15Å; W563-F568 HydrophobicContact CB-CD1 3.72Å; W563-F568 HydrophobicContact CB-CE1 3.56Å; W563-F568 HydrophobicContact CB-CZ 4.3Å; W563-F568 HydrophobicContact CD2-CE1 4.32Å; W563-F568 HydrophobicContact CE3-CE1 4.31Å; W563-F568 HydrophobicContact CG-CD1 4.11Å; W563-F568 HydrophobicContact CG-CE1 4.07Å; W563-F568 PolarHBondContact O-N 3.13Å; W563-E571 VanDerWaalsContact CD1-OE1 3.3Å; W563-E571 HydrophobicContact CG-CG 4.13Å; W563-A598 HydrophobicContact CE3-CB 4.15Å; W563-I601 HydrophobicContact CE3-CD1 4.46Å; W563-I601 HydrophobicContact CH2-CB 4.23Å; W563-I601 HydrophobicContact CH2-CG2 3.43Å; W563-I601 VanDerWaalsContact CH2-CG2 3.43Å; W563-I601 HydrophobicContact CZ2-CG2 3.89Å; W563-I601 HydrophobicContact CZ3-CB 4.21Å; W563-I601 HydrophobicContact CZ3-CG2 3.91Å; W563-M602 HydrophobicContact CZ3-CG 4.22Å; W563-F623 HydrophobicContact CH2-CB 4.32Å; W563-F623 AromaticContact CH2-CD1 3.57Å; W563-F623 HydrophobicContact CH2-CD1 3.57Å; W563-F623 HydrophobicContact CH2-CE1 4.07Å; W563-F623 HydrophobicContact CH2-CG 4.04Å; W563-F623 HydrophobicContact CZ2-CB 3.93Å; W563-F623 AromaticContact CZ2-CD1 3.85Å; W563-F623 HydrophobicContact CZ2-CD1 3.85Å; W563-F623 HydrophobicContact CZ2-CG 4.14Å
564	L	88.7	Confident	90.1	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.021	11%	0.11	C	C	.	.	H	α-helix	trans	-76.5	-35.3	-177.6	-59	178.8	0	0	0	111	F525 N528 L529 L532 A560 H561 F568 L595 A598	F525-L564 HydrophobicContact CE2-CB 3.43Å; F525-L564 VanDerWaalsContact CE2-CB 3.43Å; F525-L564 HydrophobicContact CZ-CB 3.67Å; N528-L564 HydrophobicContact CB-CD1 4.19Å; L529-L564 HydrophobicContact CD2-CD1 3.79Å; L529-L564 HydrophobicContact CG-CD1 4.08Å; L532-L564 HydrophobicContact CD2-CD1 4.12Å; A560-L564 PolarHBondContact O-N 3.12Å; A560-L564 VanDerWaalsContact O-N 3.16Å; H561-L564 PolarHBondContact O-N 3.26Å; L564-F568 HydrophobicContact CD2-CZ 4.49Å; L564-L595 HydrophobicContact CD1-CD2 4.3Å; L564-L595 HydrophobicContact CD2-CD2 3.82Å; L564-A598 HydrophobicContact CD2-CB 4.3Å
565	L	84	Confident	90.4	Very high	34 Å²	34	27.4 Å²	27.4	18%	0.178	13%	0.134	C	C	.	.	H	α-helix	trans	-68.1	-42.2	-177.7	-179.5	62.2	0	0	0	111.9	L198 L204 F525 H561 R562	L198-L565 HydrophobicContact CD2-CD1 3.59Å; L198-L565 HydrophobicContact CD2-CD2 3.98Å; L198-L565 HydrophobicContact CD2-CG 4.45Å; L204-L565 HydrophobicContact CD1-CD2 4.43Å; F525-L565 HydrophobicContact CE2-CB 4.04Å; F525-L565 HydrophobicContact CZ-CB 4.12Å; H561-L565 WeakPolarHBondContact O-CB 3.47Å; H561-L565 PolarHBondContact O-N 3.16Å; R562-L565 PolarHBondContact O-N 3.49Å
566	L	87.7	Confident	90.7	Very high	7 Å²	7	27.9 Å²	27.9	4%	0.037	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	12.7	-177.6	-56.8	-178.6	0	0	0	112.7	D487 R562 F568 K569 R570	D487-L566 HydrophobicContact CB-CD2 4.41Å; R562-L566 HydrophobicContact CG-CD1 3.92Å; R562-L566 HydrophobicContact CG-CG 4.45Å; R562-L566 WeakPolarHBondContact O-CB 3.35Å; R562-L566 PolarHBondContact O-N 3.17Å; L566-F568 PolarHBondContact O-N 3.42Å; L566-F568 VanDerWaalsContact O-N 3.16Å; L566-K569 HydrophobicContact CB-CB 4.39Å; L566-K569 WeakPolarHBondContact O-CB 3.12Å; L566-K569 PolarHBondContact O-N 3.21Å; L566-R570 HydrophobicContact CD1-CB 4.48Å; L566-R570 VanDerWaalsContact CD1-CD 3.41Å; L566-R570 HydrophobicContact CD1-CG 3.69Å
567	W	90.8	Very high	91.1	Very high	6 Å²	6	23.6 Å²	23.6	2%	0.023	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	47.8	-177.7	-82	51.6	0	0	0	112.1	L488 T513 W563 K569 W581 W585	L488-W567 HydrophobicContact CD2-CB 4.35Å; T513-W567 PolarHBondContact OG1-NE1 2.69Å; W563-W567 CarbonylContact O-C 3.52Å; W563-W567 WeakPolarHBondContact O-CA 3.35Å; W563-W567 PolarHBondContact O-N 3.15Å; W567-K569 PolarHBondContact O-N 3Å; W567-K569 VanDerWaalsContact O-N 3.12Å; W567-W581 HydrophobicContact CB-CZ2 4.46Å; W567-W581 PolarHBondContact O-NE1 3.23Å; W567-W585 AromaticContact CZ3-CD1 3.96Å; W567-W585 AromaticContact CZ3-NE1 3.77Å
568	F	94.3	Very high	91.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	8.9	178.7	-45.5	-89.3	0	0	0	116.3	W563 L564 L566 R570 E571 F572 I580 H594 V597 A598 I601	W563-F568 HydrophobicContact CB-CD1 3.72Å; W563-F568 HydrophobicContact CB-CE1 3.56Å; W563-F568 HydrophobicContact CB-CZ 4.3Å; W563-F568 HydrophobicContact CD2-CE1 4.32Å; W563-F568 HydrophobicContact CE3-CE1 4.31Å; W563-F568 HydrophobicContact CG-CD1 4.11Å; W563-F568 HydrophobicContact CG-CE1 4.07Å; W563-F568 PolarHBondContact O-N 3.13Å; L564-F568 HydrophobicContact CD2-CZ 4.49Å; L566-F568 PolarHBondContact O-N 3.42Å; L566-F568 VanDerWaalsContact O-N 3.16Å; F568-R570 PolarHBondContact O-N 3.35Å; F568-E571 HydrophobicContact CB-CB 4.37Å; F568-E571 HydrophobicContact CB-CG 4.34Å; F568-E571 HydrophobicContact CD1-CG 4.38Å; F568-E571 PolarHBondContact O-N 3.45Å; F568-F572 HydrophobicContact CB-CD2 3.82Å; F568-F572 HydrophobicContact CB-CE2 4.02Å; F568-F572 HydrophobicContact CD1-CE2 4.33Å; F568-F572 HydrophobicContact CG-CE2 4.43Å; F568-F572 PolarHBondContact O-N 3.43Å; F568-I580 HydrophobicContact CB-CD1 4.15Å; F568-I580 HydrophobicContact CD2-CG2 3.93Å; F568-I580 HydrophobicContact CE2-CG2 4.41Å; F568-I580 HydrophobicContact CG-CD1 4.49Å; F568-H594 HydrophobicContact CE2-CB 4.13Å; F568-H594 WeakPolarHBondContact CZ-O 3.3Å; F568-V597 HydrophobicContact CD1-CG1 4.25Å; F568-V597 HydrophobicContact CD2-CG1 4.09Å; F568-V597 HydrophobicContact CE1-CB 4.48Å; F568-V597 HydrophobicContact CE1-CG1 3.85Å; F568-V597 HydrophobicContact CE2-CB 3.88Å; F568-V597 HydrophobicContact CE2-CG1 3.7Å; F568-V597 HydrophobicContact CG-CG1 4.36Å; F568-V597 HydrophobicContact CZ-CB 3.78Å; F568-V597 HydrophobicContact CZ-CG1 3.58Å; F568-A598 HydrophobicContact CE1-CB 4.34Å; F568-A598 HydrophobicContact CZ-CB 4.08Å; F568-I601 HydrophobicContact CD1-CD1 3.9Å; F568-I601 HydrophobicContact CE1-CD1 3.74Å
569	K	91.6	Very high	91.7	Very high	15 Å²	15	23.7 Å²	23.7	7%	0.065	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-28.8	179.1	174.5	58.3	168.9	61.2	0	114.2	D448 D487 P491 L566 W567 W581	D448-K569 VanDerWaalsContact CG-NZ 3.33Å; D448-K569 IonicContact OD1-NZ 3.82Å; D448-K569 PolarHBondContact OD1-NZ 3.02Å; D448-K569 IonicContact OD2-NZ 3.74Å; D448-K569 PolarHBondContact OD2-NZ 3.45Å; D487-K569 HydrophobicContact CB-CG 4.49Å; P491-K569 HydrophobicContact CG-CD 4.07Å; L566-K569 HydrophobicContact CB-CB 4.39Å; L566-K569 WeakPolarHBondContact O-CB 3.12Å; L566-K569 PolarHBondContact O-N 3.21Å; W567-K569 PolarHBondContact O-N 3Å; W567-K569 VanDerWaalsContact O-N 3.12Å; K569-W581 HydrophobicContact CB-CZ2 4.1Å
570	R	90.6	Very high	92.1	Very high	73 Å²	73	23.4 Å²	23.4	28%	0.275	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-7.5	177.7	-68	-168.3	176.3	-100.7	-2.5	114	N205 D487 L566 F568	N205-R570 VanDerWaalsContact OD1-CD 3.29Å; N205-R570 WeakPolarHBondContact OD1-CD 3.25Å; N205-R570 PolarHBondContact OD1-NE 3.47Å; D487-R570 IonicContact OD1-NH2 2.93Å; D487-R570 PolarHBondContact OD1-NH2 3.16Å; D487-R570 IonicContact OD2-CZ 3.44Å; D487-R570 IonicContact OD2-NE 3.55Å; D487-R570 PolarHBondContact OD2-NE 3.11Å; D487-R570 IonicContact OD2-NH2 3.16Å; D487-R570 PolarHBondContact OD2-NH2 3.37Å; L566-R570 HydrophobicContact CD1-CB 4.48Å; L566-R570 VanDerWaalsContact CD1-CD 3.41Å; L566-R570 HydrophobicContact CD1-CG 3.69Å; F568-R570 PolarHBondContact O-N 3.35Å
571	E	93.4	Very high	92.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-19	-177.4	-45	-45.6	143	0	0	113.1	R562 W563 F568 A627 L628 M630	R562-E571 IonicContact CZ-OE1 2.81Å; R562-E571 VanDerWaalsContact CZ-OE1 3.31Å; R562-E571 IonicContact CZ-OE2 3.9Å; R562-E571 IonicContact NE-OE1 2.94Å; R562-E571 PolarHBondContact NE-OE1 3.29Å; R562-E571 IonicContact NE-OE2 3.96Å; R562-E571 IonicContact NH2-OE1 3.46Å; R562-E571 PolarHBondContact NH2-OE1 3.15Å; R562-E571 VanDerWaalsContact NH2-OE1 3.07Å; R562-E571 IonicContact NH2-OE2 3.2Å; R562-E571 PolarHBondContact NH2-OE2 2.89Å; W563-E571 VanDerWaalsContact CD1-OE1 3.3Å; W563-E571 HydrophobicContact CG-CG 4.13Å; F568-E571 HydrophobicContact CB-CB 4.37Å; F568-E571 HydrophobicContact CB-CG 4.34Å; F568-E571 HydrophobicContact CD1-CG 4.38Å; F568-E571 PolarHBondContact O-N 3.45Å; E571-A627 VanDerWaalsContact OE2-CB 3.31Å; E571-A627 WeakPolarHBondContact OE2-CB 3.42Å; E571-L628 WeakPolarHBondContact O-CA 3.38Å; E571-L628 PolarHBondContact O-N 2.81Å; E571-M630 HydrophobicContact CB-CE 3.75Å
572	F	94.2	Very high	92.8	Very high	2 Å²	2	23 Å²	23	1%	0.009	12%	0.116	C	C	.	.	S	Bend	trans	-133	163.1	-179.4	-62.6	-85.8	0	0	0	110.8	F568 E576 A577 I580 I601 L628 M630 V632 V635	F568-F572 HydrophobicContact CB-CD2 3.82Å; F568-F572 HydrophobicContact CB-CE2 4.02Å; F568-F572 HydrophobicContact CD1-CE2 4.33Å; F568-F572 HydrophobicContact CG-CE2 4.43Å; F568-F572 PolarHBondContact O-N 3.43Å; F572-E576 HydrophobicContact CB-CB 3.8Å; F572-A577 HydrophobicContact CB-CB 4.47Å; F572-I580 HydrophobicContact CD2-CD1 3.4Å; F572-I580 VanDerWaalsContact CD2-CD1 3.4Å; F572-I580 HydrophobicContact CE2-CD1 3.46Å; F572-I580 VanDerWaalsContact CE2-CD1 3.46Å; F572-I580 HydrophobicContact CG-CD1 4.02Å; F572-I580 HydrophobicContact CZ-CD1 4.1Å; F572-I601 HydrophobicContact CE2-CD1 4.24Å; F572-I601 HydrophobicContact CZ-CD1 4.28Å; F572-L628 WeakPolarHBondContact O-CD2 3.25Å; F572-M630 HydrophobicContact CD1-CB 4.43Å; F572-M630 HydrophobicContact CE1-CB 3.61Å; F572-M630 HydrophobicContact CE1-CE 4.37Å; F572-M630 HydrophobicContact CE2-CE 4.1Å; F572-M630 HydrophobicContact CZ-CB 4.05Å; F572-M630 HydrophobicContact CZ-CE 3.87Å; F572-M630 HydrophobicContact CZ-SD 4.35Å; F572-V632 HydrophobicContact CD1-CB 3.92Å; F572-V632 HydrophobicContact CD1-CG2 4.35Å; F572-V632 HydrophobicContact CE1-CB 4.08Å; F572-V632 HydrophobicContact CE1-CG2 4.48Å; F572-V635 HydrophobicContact CE1-CG2 4.31Å; F572-V635 HydrophobicContact CZ-CB 4.32Å; F572-V635 HydrophobicContact CZ-CG1 4.19Å; F572-V635 HydrophobicContact CZ-CG2 4.09Å
573	L	92.5	Very high	93.2	Very high	100 Å²	100	22.3 Å²	22.3	52%	0.524	11%	0.114	S	C	.	.			trans	-60.5	155.1	170.4	-62.1	173.6	0	0	0	110	D575 E576 A577	L573-D575 VanDerWaalsContact C-N 3.3Å; L573-D575 PolarHBondContact O-N 3.41Å; L573-E576 HydrophobicContact CB-CB 4.43Å; L573-E576 HydrophobicContact CB-CG 4.03Å; L573-E576 WeakPolarHBondContact CB-OE2 3.43Å; L573-E576 WeakPolarHBondContact CG-OE2 3.4Å; L573-E576 PolarHBondContact N-OE2 3.38Å; L573-E576 WeakPolarHBondContact O-CA 3.33Å; L573-E576 WeakPolarHBondContact O-CB 3.21Å; L573-E576 PolarHBondContact O-N 2.89Å; L573-A577 PolarHBondContact O-N 2.66Å
574	T	92	Very high	93.3	Very high	32 Å²	32	22.5 Å²	22.5	20%	0.196	12%	0.115	C	C	.	.	H	α-helix	trans	-55.8	-43.3	-173.4	-51.3	0	0	0	0	112.9	P491 E576 A577 M578	P491-T574 HydrophobicContact CB-CG2 4.43Å; P491-T574 HydrophobicContact CG-CG2 4.18Å; T574-E576 VanDerWaalsContact C-N 3.32Å; T574-E576 PolarHBondContact O-N 2.86Å; T574-A577 PolarHBondContact O-N 3.36Å; T574-M578 HydrophobicContact CG2-CE 4.13Å; T574-M578 WeakPolarHBondContact O-CG 3.36Å; T574-M578 PolarHBondContact O-N 3.36Å
575	D	93.7	Very high	93.5	Very high	95 Å²	95	22.3 Å²	22.3	51%	0.508	11%	0.114	S	C	.	.	H	α-helix	trans	-65	-35	176.3	-79.3	-50.6	0	0	0	113.5	R384 L573 M578 C579	R384-D575 IonicContact CZ-OD1 3.62Å; R384-D575 IonicContact NH1-OD1 3.2Å; R384-D575 PolarHBondContact NH1-OD1 3.48Å; R384-D575 IonicContact NH2-OD1 3.37Å; L573-D575 VanDerWaalsContact C-N 3.3Å; L573-D575 PolarHBondContact O-N 3.41Å; D575-M578 HydrophobicContact CB-CE 4.34Å; D575-M578 WeakPolarHBondContact OD1-CE 3.49Å; D575-C579 PolarHBondContact O-N 3.33Å; D575-C579 PolarHBondContact O-SG 3.5Å
576	E	95.6	Very high	94	Very high	51 Å²	51	20.7 Å²	20.7	24%	0.238	11%	0.106	C	C	.	.	H	α-helix	trans	-72.7	-42	178.2	-61.3	179.2	141.4	0	0	111.4	F572 L573 T574 M578 C579 I580 V632	F572-E576 HydrophobicContact CB-CB 3.8Å; L573-E576 HydrophobicContact CB-CB 4.43Å; L573-E576 HydrophobicContact CB-CG 4.03Å; L573-E576 WeakPolarHBondContact CB-OE2 3.43Å; L573-E576 WeakPolarHBondContact CG-OE2 3.4Å; L573-E576 PolarHBondContact N-OE2 3.38Å; L573-E576 WeakPolarHBondContact O-CA 3.33Å; L573-E576 WeakPolarHBondContact O-CB 3.21Å; L573-E576 PolarHBondContact O-N 2.89Å; T574-E576 VanDerWaalsContact C-N 3.32Å; T574-E576 PolarHBondContact O-N 2.86Å; E576-M578 VanDerWaalsContact C-N 3.31Å; E576-M578 PolarHBondContact O-N 3.2Å; E576-C579 WeakPolarHBondContact O-CB 3.49Å; E576-C579 PolarHBondContact O-N 3.34Å; E576-C579 VanDerWaalsContact O-N 3.13Å; E576-I580 PolarHBondContact O-N 2.74Å; E576-V632 HydrophobicContact CB-CB 3.89Å; E576-V632 HydrophobicContact CB-CG1 3.81Å; E576-V632 HydrophobicContact CB-CG2 4.08Å; E576-V632 HydrophobicContact CG-CB 4.23Å; E576-V632 HydrophobicContact CG-CG1 3.69Å
577	A	96	Very high	94	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.3	-42.1	173.1	0	0	0	0	0	111.1	F572 L573 T574 C579 I580 W581	F572-A577 HydrophobicContact CB-CB 4.47Å; L573-A577 PolarHBondContact O-N 2.66Å; T574-A577 PolarHBondContact O-N 3.36Å; A577-C579 VanDerWaalsContact C-N 3.3Å; A577-C579 PolarHBondContact O-N 3.08Å; A577-I580 WeakPolarHBondContact O-CB 3.46Å; A577-I580 PolarHBondContact O-N 3.48Å; A577-W581 VanDerWaalsContact O-CG 3.29Å; A577-W581 PolarHBondContact O-N 2.73Å
578	M	96.7	Very high	93.9	Very high	8 Å²	8	21.4 Å²	21.4	4%	0.039	11%	0.112	C	C	.	.	H	α-helix	trans	-60.5	-37.2	174.1	-72.9	-175.5	-66.7	0	0	112.3	R384 W388 P491 V495 T574 D575 E576 I580 W581 E582	R384-M578 VanDerWaalsContact NH1-CE 3.32Å; W388-M578 HydrophobicContact CH2-CG 4.21Å; W388-M578 HydrophobicContact CH2-SD 3.55Å; W388-M578 VanDerWaalsContact CH2-SD 3.55Å; W388-M578 HydrophobicContact CZ2-CB 4.45Å; W388-M578 HydrophobicContact CZ2-CG 4.18Å; W388-M578 HydrophobicContact CZ2-SD 3.8Å; P491-M578 HydrophobicContact CB-CG 4.14Å; P491-M578 HydrophobicContact CB-SD 3.98Å; V495-M578 HydrophobicContact CG2-SD 4.04Å; T574-M578 HydrophobicContact CG2-CE 4.13Å; T574-M578 WeakPolarHBondContact O-CG 3.36Å; T574-M578 PolarHBondContact O-N 3.36Å; D575-M578 HydrophobicContact CB-CE 4.34Å; D575-M578 WeakPolarHBondContact OD1-CE 3.49Å; E576-M578 VanDerWaalsContact C-N 3.31Å; E576-M578 PolarHBondContact O-N 3.2Å; M578-I580 VanDerWaalsContact C-N 3.32Å; M578-I580 PolarHBondContact O-N 3.43Å; M578-W581 WeakPolarHBondContact O-CB 3.25Å; M578-W581 PolarHBondContact O-N 3.44Å; M578-E582 WeakPolarHBondContact O-CB 3.13Å; M578-E582 WeakPolarHBondContact O-CG 3.4Å; M578-E582 PolarHBondContact O-N 3.36Å
579	C	97.4	Very high	93.5	Very high	37 Å²	37	21.5 Å²	21.5	25%	0.25	11%	0.112	C	C	.	.	H	α-helix	trans	-62.2	-38	173.2	-66.3	0	0	0	0	112.5	D575 E576 A577 W581 A583 L636	D575-C579 PolarHBondContact O-N 3.33Å; D575-C579 PolarHBondContact O-SG 3.5Å; E576-C579 WeakPolarHBondContact O-CB 3.49Å; E576-C579 PolarHBondContact O-N 3.34Å; E576-C579 VanDerWaalsContact O-N 3.13Å; A577-C579 VanDerWaalsContact C-N 3.3Å; A577-C579 PolarHBondContact O-N 3.08Å; C579-W581 VanDerWaalsContact C-N 3.34Å; C579-A583 WeakPolarHBondContact O-CB 3.42Å; C579-A583 PolarHBondContact O-N 3.24Å; C579-A583 VanDerWaalsContact O-N 3.08Å; C579-L636 HydrophobicContact CB-CD1 4.25Å
580	I	97.4	Very high	93.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.4	-42.8	174.7	-64.7	168.7	0	0	0	110.5	F568 F572 E576 A577 M578 S584 V597 V632 L636	F568-I580 HydrophobicContact CB-CD1 4.15Å; F568-I580 HydrophobicContact CD2-CG2 3.93Å; F568-I580 HydrophobicContact CE2-CG2 4.41Å; F568-I580 HydrophobicContact CG-CD1 4.49Å; F572-I580 HydrophobicContact CD2-CD1 3.4Å; F572-I580 VanDerWaalsContact CD2-CD1 3.4Å; F572-I580 HydrophobicContact CE2-CD1 3.46Å; F572-I580 VanDerWaalsContact CE2-CD1 3.46Å; F572-I580 HydrophobicContact CG-CD1 4.02Å; F572-I580 HydrophobicContact CZ-CD1 4.1Å; E576-I580 PolarHBondContact O-N 2.74Å; A577-I580 WeakPolarHBondContact O-CB 3.46Å; A577-I580 PolarHBondContact O-N 3.48Å; M578-I580 VanDerWaalsContact C-N 3.32Å; M578-I580 PolarHBondContact O-N 3.43Å; I580-S584 WeakPolarHBondContact O-CB 3.39Å; I580-S584 PolarHBondContact O-N 3.5Å; I580-S584 PolarHBondContact O-OG 3.19Å; I580-V597 HydrophobicContact CD1-CG1 4.36Å; I580-V597 HydrophobicContact CG2-CG1 4.18Å; I580-V597 HydrophobicContact CG2-CG2 4.07Å; I580-V632 HydrophobicContact CD1-CG2 4.06Å; I580-V632 HydrophobicContact CG1-CG2 3.87Å; I580-L636 HydrophobicContact CG1-CD1 4.45Å; I580-L636 HydrophobicContact CG1-CD2 4.04Å; I580-L636 HydrophobicContact CG1-CG 4.29Å
581	W	96.5	Very high	93.3	Very high	1 Å²	1	19.1 Å²	19.1	0%	0.004	11%	0.111	C	C	.	.	H	α-helix	trans	-63.8	-52	178.8	-65.2	5.9	0	0	0	111.1	L488 P491 L509 W567 K569 A577 M578 C579 A583 S584 W585	L488-W581 HydrophobicContact CD2-CH2 4.32Å; L488-W581 HydrophobicContact CD2-CZ2 4.03Å; P491-W581 HydrophobicContact CB-CH2 4.2Å; P491-W581 HydrophobicContact CB-CZ3 3.8Å; P491-W581 HydrophobicContact CG-CH2 3.65Å; P491-W581 HydrophobicContact CG-CZ3 3.79Å; L509-W581 HydrophobicContact CD2-CZ3 4.46Å; W567-W581 HydrophobicContact CB-CZ2 4.46Å; W567-W581 PolarHBondContact O-NE1 3.23Å; K569-W581 HydrophobicContact CB-CZ2 4.1Å; A577-W581 VanDerWaalsContact O-CG 3.29Å; A577-W581 PolarHBondContact O-N 2.73Å; M578-W581 WeakPolarHBondContact O-CB 3.25Å; M578-W581 PolarHBondContact O-N 3.44Å; C579-W581 VanDerWaalsContact C-N 3.34Å; W581-A583 VanDerWaalsContact C-N 3.32Å; W581-A583 PolarHBondContact O-N 3.22Å; W581-S584 CarbonylContact O-C 3.54Å; W581-S584 WeakPolarHBondContact O-CA 3.33Å; W581-S584 WeakPolarHBondContact O-CB 3.4Å; W581-S584 PolarHBondContact O-N 3.1Å; W581-W585 HydrophobicContact CB-CD2 4.2Å; W581-W585 HydrophobicContact CB-CE3 4.47Å; W581-W585 HydrophobicContact CB-CH2 3.88Å; W581-W585 HydrophobicContact CB-CZ2 3.53Å; W581-W585 HydrophobicContact CB-CZ3 4.33Å; W581-W585 HydrophobicContact CD2-CH2 4.4Å; W581-W585 AromaticContact CD2-CZ2 4Å; W581-W585 HydrophobicContact CD2-CZ2 4Å; W581-W585 AromaticContact CE3-CH2 3.68Å; W581-W585 HydrophobicContact CE3-CH2 3.68Å; W581-W585 AromaticContact CE3-CZ2 3.59Å; W581-W585 HydrophobicContact CE3-CZ2 3.59Å; W581-W585 HydrophobicContact CG-CZ2 4.04Å; W581-W585 WeakPolarHBondContact O-CB 3.36Å; W581-W585 PolarHBondContact O-N 3.22Å
582	E	97	Very high	93.2	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-54.6	-47.7	178.1	-72.2	166.2	-179.1	0	0	111.2	I374 I379 R384 W388 M578 S584 W585 T586	I374-E582 HydrophobicContact CG2-CB 4.1Å; I379-E582 HydrophobicContact CD1-CB 4.13Å; I379-E582 HydrophobicContact CD1-CG 3.71Å; I379-E582 HydrophobicContact CG1-CG 4.34Å; I379-E582 PolarHBondContact N-OE2 3.41Å; R384-E582 WeakPolarHBondContact CG-OE1 3.39Å; R384-E582 IonicContact CZ-OE1 3.89Å; R384-E582 IonicContact NE-OE1 3.61Å; R384-E582 PolarHBondContact NE-OE1 3.45Å; R384-E582 IonicContact NH2-OE1 3.66Å; W388-E582 PolarHBondContact NE1-OE1 3.16Å; M578-E582 WeakPolarHBondContact O-CB 3.13Å; M578-E582 WeakPolarHBondContact O-CG 3.4Å; M578-E582 PolarHBondContact O-N 3.36Å; E582-S584 PolarHBondContact O-N 3.36Å; E582-W585 PolarHBondContact O-N 3.14Å; E582-T586 VanDerWaalsContact O-CG2 3.25Å; E582-T586 WeakPolarHBondContact O-CG2 3.39Å; E582-T586 PolarHBondContact O-N 3.41Å
583	A	96	Very high	93.2	Very high	3 Å²	3	20 Å²	20	3%	0.025	12%	0.115	C	C	.	.	H	α-helix	trans	-61.1	-43.6	176.1	0	0	0	0	0	112	F375 C579 W581 W585 T586 F593 L636	F375-A583 HydrophobicContact CD2-CB 4.35Å; C579-A583 WeakPolarHBondContact O-CB 3.42Å; C579-A583 PolarHBondContact O-N 3.24Å; C579-A583 VanDerWaalsContact O-N 3.08Å; W581-A583 VanDerWaalsContact C-N 3.32Å; W581-A583 PolarHBondContact O-N 3.22Å; A583-W585 VanDerWaalsContact C-N 3.34Å; A583-W585 PolarHBondContact O-N 3.04Å; A583-T586 PolarHBondContact O-N 3.39Å; A583-T586 PolarHBondContact O-OG1 3.13Å; A583-F593 HydrophobicContact CB-CD1 4.27Å; A583-F593 HydrophobicContact CB-CE1 3.89Å; A583-L636 HydrophobicContact CB-CD2 4.36Å
584	S	93.7	Very high	93.3	Very high	4 Å²	4	15.4 Å²	15.4	3%	0.028	9%	0.091	C	C	.	.	H	α-helix	trans	-66.3	-36.5	178	-56.3	0	0	0	0	112.2	I580 W581 E582 T586 G587	I580-S584 WeakPolarHBondContact O-CB 3.39Å; I580-S584 PolarHBondContact O-N 3.5Å; I580-S584 PolarHBondContact O-OG 3.19Å; W581-S584 CarbonylContact O-C 3.54Å; W581-S584 WeakPolarHBondContact O-CA 3.33Å; W581-S584 WeakPolarHBondContact O-CB 3.4Å; W581-S584 PolarHBondContact O-N 3.1Å; E582-S584 PolarHBondContact O-N 3.36Å; S584-T586 PolarHBondContact O-N 3.28Å; S584-G587 PolarHBondContact O-N 3.37Å
585	W	93.2	Very high	93.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-73.5	-17	-177.7	-59	-23.1	0	0	0	113.5	W388 L391 L392 L492 L509 R512 W567 W581 E582 A583 G587	W388-W585 HydrophobicContact CD2-CZ3 4.03Å; W388-W585 AromaticContact CE2-CZ3 3.87Å; W388-W585 HydrophobicContact CG-CZ3 4.11Å; W388-W585 HydrophobicContact CZ2-CZ3 4.35Å; W388-W585 AromaticContact NE1-CZ3 3.91Å; L391-W585 HydrophobicContact CB-CB 3.99Å; L391-W585 HydrophobicContact CB-CE3 4.28Å; L391-W585 HydrophobicContact CD1-CE3 4.41Å; L391-W585 HydrophobicContact CD2-CB 4.48Å; L392-W585 HydrophobicContact CD1-CE3 4.47Å; L392-W585 HydrophobicContact CD1-CH2 4.12Å; L392-W585 HydrophobicContact CD1-CZ2 4.49Å; L392-W585 HydrophobicContact CD1-CZ3 4.12Å; L392-W585 HydrophobicContact CD2-CD2 3.67Å; L392-W585 HydrophobicContact CD2-CE3 4.06Å; L392-W585 HydrophobicContact CD2-CG 4.04Å; L392-W585 HydrophobicContact CD2-CH2 4.31Å; L392-W585 HydrophobicContact CD2-CZ2 3.95Å; L392-W585 HydrophobicContact CD2-CZ3 4.37Å; L392-W585 HydrophobicContact CG-CD2 4.26Å; L392-W585 HydrophobicContact CG-CE3 4.16Å; L392-W585 HydrophobicContact CG-CZ3 4.31Å; L492-W585 HydrophobicContact CD2-CH2 4.07Å; L509-W585 HydrophobicContact CD1-CZ2 3.66Å; R512-W585 VanDerWaalsContact NH1-C 3.31Å; R512-W585 PolarHBondContact NH1-O 3.19Å; W567-W585 AromaticContact CZ3-CD1 3.96Å; W567-W585 AromaticContact CZ3-NE1 3.77Å; W581-W585 HydrophobicContact CB-CD2 4.2Å; W581-W585 HydrophobicContact CB-CE3 4.47Å; W581-W585 HydrophobicContact CB-CH2 3.88Å; W581-W585 HydrophobicContact CB-CZ2 3.53Å; W581-W585 HydrophobicContact CB-CZ3 4.33Å; W581-W585 HydrophobicContact CD2-CH2 4.4Å; W581-W585 AromaticContact CD2-CZ2 4Å; W581-W585 HydrophobicContact CD2-CZ2 4Å; W581-W585 AromaticContact CE3-CH2 3.68Å; W581-W585 HydrophobicContact CE3-CH2 3.68Å; W581-W585 AromaticContact CE3-CZ2 3.59Å; W581-W585 HydrophobicContact CE3-CZ2 3.59Å; W581-W585 HydrophobicContact CG-CZ2 4.04Å; W581-W585 WeakPolarHBondContact O-CB 3.36Å; W581-W585 PolarHBondContact O-N 3.22Å; E582-W585 PolarHBondContact O-N 3.14Å; A583-W585 VanDerWaalsContact C-N 3.34Å; A583-W585 PolarHBondContact O-N 3.04Å; W585-G587 PolarHBondContact O-N 3.49Å
586	T	93	Very high	93.6	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-28.1	172.4	68.9	0	0	0	0	112.7	R371 I374 F375 L391 E582 A583 S584 Y588	R371-T586 PolarHBondContact NH1-O 2.88Å; R371-T586 WeakPolarHBondContact O-CG2 3.49Å; I374-T586 HydrophobicContact CB-CG2 3.79Å; I374-T586 HydrophobicContact CG2-CG2 3.51Å; F375-T586 HydrophobicContact CB-CG2 4.08Å; L391-T586 HydrophobicContact CD2-CG2 4.38Å; E582-T586 VanDerWaalsContact O-CG2 3.25Å; E582-T586 WeakPolarHBondContact O-CG2 3.39Å; E582-T586 PolarHBondContact O-N 3.41Å; A583-T586 PolarHBondContact O-N 3.39Å; A583-T586 PolarHBondContact O-OG1 3.13Å; S584-T586 PolarHBondContact O-N 3.28Å; T586-Y588 PolarHBondContact O-N 3.44Å; T586-Y588 WeakPolarHBondContact OG1-CB 3.34Å; T586-Y588 PolarHBondContact OG1-N 3Å; T586-Y588 VanDerWaalsContact OG1-N 3.15Å
587	G	88.8	Confident	93.8	Very high	11 Å²	11	6.9 Å²	6.9	11%	0.113	5%	0.046	C	C	.	.			trans	63.6	13.4	-171.8	0	0	0	0	0	113.5	S584 W585 G589 T590	S584-G587 PolarHBondContact O-N 3.37Å; W585-G587 PolarHBondContact O-N 3.49Å; G587-G589 PolarHBondContact O-N 3.41Å; G587-T590 CarbonylContact C-O 3.56Å
588	Y	88.6	Confident	93.8	Very high	17 Å²	17	6.9 Å²	6.9	7%	0.067	5%	0.046	C	C	.	.			trans	-69.4	120.7	-175.6	180	-102	0	0	0	110.7	K372 F375 F376 T586 T590	K372-Y588 HydrophobicContact CD-CE2 4.13Å; K372-Y588 HydrophobicContact CG-CD2 3.84Å; K372-Y588 HydrophobicContact CG-CE2 3.58Å; F375-Y588 HydrophobicContact CB-CD1 4.33Å; F375-Y588 HydrophobicContact CB-CG 4.48Å; F375-Y588 AromaticContact CD1-CD1 3.33Å; F375-Y588 HydrophobicContact CD1-CD1 3.33Å; F375-Y588 AromaticContact CD1-CE1 3.85Å; F375-Y588 HydrophobicContact CD1-CE1 3.85Å; F375-Y588 HydrophobicContact CD1-CG 4.25Å; F375-Y588 HydrophobicContact CD2-CD1 4.19Å; F375-Y588 AromaticContact CE1-CD1 3.45Å; F375-Y588 HydrophobicContact CE1-CD1 3.45Å; F375-Y588 VanDerWaalsContact CE1-CD1 3.45Å; F375-Y588 AromaticContact CE1-CE1 3.85Å; F375-Y588 HydrophobicContact CE1-CE1 3.85Å; F375-Y588 HydrophobicContact CE2-CD1 4.3Å; F375-Y588 AromaticContact CG-CD1 3.7Å; F375-Y588 HydrophobicContact CG-CD1 3.7Å; F375-Y588 HydrophobicContact CG-CG 4.22Å; F375-Y588 AromaticContact CZ-CD1 3.94Å; F375-Y588 HydrophobicContact CZ-CD1 3.94Å; F376-Y588 AromaticContact CE2-CE1 3.89Å; F376-Y588 HydrophobicContact CE2-CE1 3.89Å; F376-Y588 HydrophobicContact CZ-CE1 4.04Å; T586-Y588 PolarHBondContact O-N 3.44Å; T586-Y588 WeakPolarHBondContact OG1-CB 3.34Å; T586-Y588 PolarHBondContact OG1-N 3Å; T586-Y588 VanDerWaalsContact OG1-N 3.15Å; Y588-T590 PolarHBondContact O-N 3.44Å
589	G	86.8	Confident	93.9	Very high	2 Å²	2	6.5 Å²	6.5	2%	0.021	4%	0.044	C	C	.	.	S	Bend	trans	73.9	-24.2	180	0	0	0	0	0	115.7	G587 R647	G587-G589 PolarHBondContact O-N 3.41Å; G589-R647 PolarHBondContact O-NH1 3.33Å
590	T	89.5	Confident	94	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.032	C	C	.	.			trans	-166.8	150.1	172.4	-173.7	0	0	0	0	110.8	G587 Y588 Y592 F593 F596 L643 L659	G587-T590 CarbonylContact C-O 3.56Å; Y588-T590 PolarHBondContact O-N 3.44Å; T590-Y592 PolarHBondContact OG1-N 3.34Å; T590-Y592 VanDerWaalsContact OG1-N 3.1Å; T590-F593 HydrophobicContact CG2-CB 4.11Å; T590-F596 HydrophobicContact CG2-CD2 4.06Å; T590-F596 HydrophobicContact CG2-CE2 3.93Å; T590-L643 HydrophobicContact CG2-CD1 3.65Å; T590-L643 HydrophobicContact CG2-CD2 3.92Å; T590-L643 HydrophobicContact CG2-CG 4.44Å; T590-L659 WeakPolarHBondContact CB-O 3.4Å; T590-L659 PolarHBondContact OG1-O 3.5Å
591	A	87.9	Confident	94	Very high	38 Å²	38	4.8 Å²	4.8	31%	0.314	3%	0.032	S	C	.	.	S	Bend	trans	-74.2	-14.6	166	0	0	0	0	0	112.9	I516	I516-A591 WeakPolarHBondContact CD1-O 3.45Å
592	Y	91.3	Very high	94.1	Very high	19 Å²	19	4.7 Å²	4.7	8%	0.075	3%	0.032	C	C	.	.			trans	-103.9	32.4	-171.2	-64.1	-106.1	0	0	0	113	I516 L531 T590 H594 L595 A658 L659	I516-Y592 HydrophobicContact CB-CE1 4.34Å; I516-Y592 HydrophobicContact CG2-CD1 3.26Å; I516-Y592 HydrophobicContact CG2-CD2 4.03Å; I516-Y592 HydrophobicContact CG2-CE1 3.02Å; I516-Y592 HydrophobicContact CG2-CE2 3.78Å; I516-Y592 HydrophobicContact CG2-CG 3.77Å; I516-Y592 VanDerWaalsContact O-CE1 3.26Å; I516-Y592 WeakPolarHBondContact O-CE1 3.35Å; I516-Y592 PolarHBondContact O-OH 3.03Å; L531-Y592 HydrophobicContact CD1-CD1 3.92Å; L531-Y592 HydrophobicContact CD1-CE1 3.53Å; T590-Y592 PolarHBondContact OG1-N 3.34Å; T590-Y592 VanDerWaalsContact OG1-N 3.1Å; Y592-H594 PolarHBondContact O-N 3.14Å; Y592-H594 VanDerWaalsContact O-N 3.17Å; Y592-L595 HydrophobicContact CD1-CD1 3.96Å; Y592-L595 WeakPolarHBondContact O-CB 3.34Å; Y592-L595 PolarHBondContact O-N 3.16Å; Y592-A658 WeakPolarHBondContact CD2-O 3.38Å; Y592-A658 HydrophobicContact CE1-CB 4.47Å; Y592-A658 HydrophobicContact CE2-CB 3.97Å; Y592-A658 WeakPolarHBondContact CE2-O 3.38Å; Y592-L659 HydrophobicContact CD1-CD2 3.64Å; Y592-L659 HydrophobicContact CD2-CD2 3.89Å; Y592-L659 HydrophobicContact CE1-CD2 4.34Å; Y592-L659 HydrophobicContact CG-CD2 3.37Å
593	F	94.1	Very high	94.1	Very high	1 Å²	1	6 Å²	6	0%	0.004	4%	0.039	C	C	.	.	H	α-helix	trans	-61.3	-29.6	-172.3	-176.2	-116.6	0	0	0	112.8	F375 A583 T590 L595 F596 V597 L636 A639 R640 L643	F375-F593 HydrophobicContact CE2-CD1 4.07Å; F375-F593 AromaticContact CE2-CD2 3.77Å; F375-F593 HydrophobicContact CE2-CD2 3.77Å; F375-F593 AromaticContact CE2-CE1 3.94Å; F375-F593 HydrophobicContact CE2-CE1 3.94Å; F375-F593 AromaticContact CE2-CE2 3.63Å; F375-F593 HydrophobicContact CE2-CE2 3.63Å; F375-F593 AromaticContact CE2-CG 3.98Å; F375-F593 HydrophobicContact CE2-CG 3.98Å; F375-F593 AromaticContact CE2-CZ 3.72Å; F375-F593 HydrophobicContact CE2-CZ 3.72Å; F375-F593 HydrophobicContact CZ-CD2 4.11Å; F375-F593 AromaticContact CZ-CE2 3.69Å; F375-F593 HydrophobicContact CZ-CE2 3.69Å; F375-F593 AromaticContact CZ-CZ 4Å; F375-F593 HydrophobicContact CZ-CZ 4Å; A583-F593 HydrophobicContact CB-CD1 4.27Å; A583-F593 HydrophobicContact CB-CE1 3.89Å; T590-F593 HydrophobicContact CG2-CB 4.11Å; F593-L595 PolarHBondContact O-N 2.89Å; F593-F596 HydrophobicContact CD2-CB 4.15Å; F593-F596 HydrophobicContact CE2-CB 4.34Å; F593-F596 WeakPolarHBondContact O-CA 3.4Å; F593-F596 WeakPolarHBondContact O-CB 3.41Å; F593-F596 PolarHBondContact O-N 3.48Å; F593-V597 HydrophobicContact CD1-CG2 4.15Å; F593-V597 HydrophobicContact CE1-CG2 3.92Å; F593-V597 HydrophobicContact CZ-CG2 4.37Å; F593-V597 PolarHBondContact O-N 3.18Å; F593-L636 HydrophobicContact CE1-CD2 3.91Å; F593-L636 HydrophobicContact CZ-CD2 4.35Å; F593-A639 HydrophobicContact CE2-CB 3.88Å; F593-A639 HydrophobicContact CZ-CB 3.69Å; F593-R640 HydrophobicContact CE2-CG 4.19Å; F593-R640 HydrophobicContact CZ-CG 3.87Å; F593-L643 HydrophobicContact CD2-CD2 4.06Å; F593-L643 HydrophobicContact CE2-CD2 4.42Å
594	H	93.8	Very high	94.1	Very high	4 Å²	4	7 Å²	7	2%	0.019	4%	0.044	C	C	.	.	H	α-helix	trans	-56.8	-30.4	173.6	60.9	-68.8	0	0	0	113.2	N528 F568 Y592 V597 A598	N528-H594 PolarHBondContact OD1-NE2 3.25Å; F568-H594 HydrophobicContact CE2-CB 4.13Å; F568-H594 WeakPolarHBondContact CZ-O 3.3Å; Y592-H594 PolarHBondContact O-N 3.14Å; Y592-H594 VanDerWaalsContact O-N 3.17Å; H594-V597 WeakPolarHBondContact O-CB 3.29Å; H594-V597 PolarHBondContact O-N 3.31Å; H594-A598 PolarHBondContact O-N 2.79Å
595	L	95.5	Very high	94.1	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-70.4	-33.8	174	-57.7	-172.5	0	0	0	112	N528 L531 L532 L535 L564 Y592 F593 V597 A598 L599 L659	N528-L595 HydrophobicContact CB-CD2 4.15Å; L531-L595 HydrophobicContact CB-CD1 3.63Å; L531-L595 HydrophobicContact CD1-CD1 4.23Å; L532-L595 HydrophobicContact CB-CD2 4.44Å; L535-L595 HydrophobicContact CD2-CB 4.14Å; L564-L595 HydrophobicContact CD1-CD2 4.3Å; L564-L595 HydrophobicContact CD2-CD2 3.82Å; Y592-L595 HydrophobicContact CD1-CD1 3.96Å; Y592-L595 WeakPolarHBondContact O-CB 3.34Å; Y592-L595 PolarHBondContact O-N 3.16Å; F593-L595 PolarHBondContact O-N 2.89Å; L595-V597 VanDerWaalsContact C-N 3.32Å; L595-A598 PolarHBondContact O-N 3.17Å; L595-L599 WeakPolarHBondContact O-CB 3.4Å; L595-L599 PolarHBondContact O-N 3.01Å; L595-L659 HydrophobicContact CD1-CD2 3.8Å
596	F	97.7	Very high	94.2	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-71.5	-29.1	173.4	-69	-89.9	0	0	0	112	L535 T590 F593 A600 A639 L642 L643 F646 L659	L535-F596 HydrophobicContact CD1-CE1 4.17Å; L535-F596 HydrophobicContact CD1-CZ 4.24Å; L535-F596 HydrophobicContact CD2-CD1 4.42Å; L535-F596 HydrophobicContact CD2-CE1 4.32Å; L535-F596 HydrophobicContact CD2-CZ 4.39Å; T590-F596 HydrophobicContact CG2-CD2 4.06Å; T590-F596 HydrophobicContact CG2-CE2 3.93Å; F593-F596 HydrophobicContact CD2-CB 4.15Å; F593-F596 HydrophobicContact CE2-CB 4.34Å; F593-F596 WeakPolarHBondContact O-CA 3.4Å; F593-F596 WeakPolarHBondContact O-CB 3.41Å; F593-F596 PolarHBondContact O-N 3.48Å; F596-A600 VanDerWaalsContact O-CB 3.26Å; F596-A600 WeakPolarHBondContact O-CB 3.23Å; F596-A600 PolarHBondContact O-N 3.27Å; F596-A639 HydrophobicContact CB-CB 4.33Å; F596-L642 HydrophobicContact CD1-CB 4.13Å; F596-L643 HydrophobicContact CD1-CB 3.94Å; F596-L643 HydrophobicContact CD1-CD1 4.48Å; F596-L643 HydrophobicContact CD2-CD1 4.18Å; F596-L643 HydrophobicContact CE1-CB 4.17Å; F596-L643 HydrophobicContact CE1-CD1 4.07Å; F596-L643 HydrophobicContact CE2-CD1 3.73Å; F596-L643 HydrophobicContact CG-CB 4.17Å; F596-L643 HydrophobicContact CZ-CD1 3.66Å; F596-F646 HydrophobicContact CE1-CB 3.72Å; F596-F646 HydrophobicContact CE1-CD1 4.26Å; F596-F646 AromaticContact CE1-CG 3.92Å; F596-F646 HydrophobicContact CE1-CG 3.92Å; F596-F646 HydrophobicContact CZ-CB 4.08Å; F596-F646 AromaticContact CZ-CD1 3.72Å; F596-F646 HydrophobicContact CZ-CD1 3.72Å; F596-F646 HydrophobicContact CZ-CD2 4.37Å; F596-F646 HydrophobicContact CZ-CE1 4.22Å; F596-F646 AromaticContact CZ-CG 3.8Å; F596-F646 HydrophobicContact CZ-CG 3.8Å; F596-L659 HydrophobicContact CE2-CD1 4.36Å; F596-L659 HydrophobicContact CZ-CD1 4.38Å
597	V	98.3	Very high	94.1	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-65.8	-46	169.9	178.2	0	0	0	0	110.5	F568 I580 F593 H594 L595 L599 A600 I601 V635 L636 A639	F568-V597 HydrophobicContact CD1-CG1 4.25Å; F568-V597 HydrophobicContact CD2-CG1 4.09Å; F568-V597 HydrophobicContact CE1-CB 4.48Å; F568-V597 HydrophobicContact CE1-CG1 3.85Å; F568-V597 HydrophobicContact CE2-CB 3.88Å; F568-V597 HydrophobicContact CE2-CG1 3.7Å; F568-V597 HydrophobicContact CG-CG1 4.36Å; F568-V597 HydrophobicContact CZ-CB 3.78Å; F568-V597 HydrophobicContact CZ-CG1 3.58Å; I580-V597 HydrophobicContact CD1-CG1 4.36Å; I580-V597 HydrophobicContact CG2-CG1 4.18Å; I580-V597 HydrophobicContact CG2-CG2 4.07Å; F593-V597 HydrophobicContact CD1-CG2 4.15Å; F593-V597 HydrophobicContact CE1-CG2 3.92Å; F593-V597 HydrophobicContact CZ-CG2 4.37Å; F593-V597 PolarHBondContact O-N 3.18Å; H594-V597 WeakPolarHBondContact O-CB 3.29Å; H594-V597 PolarHBondContact O-N 3.31Å; L595-V597 VanDerWaalsContact C-N 3.32Å; V597-L599 PolarHBondContact O-N 3.36Å; V597-A600 WeakPolarHBondContact O-CB 3.41Å; V597-A600 PolarHBondContact O-N 2.85Å; V597-I601 WeakPolarHBondContact O-CG1 3.39Å; V597-I601 PolarHBondContact O-N 3.01Å; V597-V635 HydrophobicContact CG1-CG1 3.86Å; V597-L636 HydrophobicContact CG2-CD2 4.4Å; V597-A639 HydrophobicContact CG2-CB 4.09Å
598	A	98	Very high	94.3	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-60.7	-45.7	174.3	0	0	0	0	0	111.8	L532 W563 L564 F568 H594 L595 A600 I601 M602	L532-A598 HydrophobicContact CD1-CB 3.84Å; L532-A598 HydrophobicContact CD2-CB 3.93Å; W563-A598 HydrophobicContact CE3-CB 4.15Å; L564-A598 HydrophobicContact CD2-CB 4.3Å; F568-A598 HydrophobicContact CE1-CB 4.34Å; F568-A598 HydrophobicContact CZ-CB 4.08Å; H594-A598 PolarHBondContact O-N 2.79Å; L595-A598 PolarHBondContact O-N 3.17Å; A598-A600 VanDerWaalsContact C-N 3.31Å; A598-A600 PolarHBondContact O-N 3.12Å; A598-I601 PolarHBondContact O-N 3.19Å; A598-M602 WeakPolarHBondContact O-CG 3.48Å; A598-M602 PolarHBondContact O-N 3.16Å
599	L	98.4	Very high	94.5	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-61.3	-38.1	174.6	-177.7	69	0	0	0	112	L535 V536 M539 L595 V597 M602 T603 L642	L535-L599 HydrophobicContact CD1-CD2 4.47Å; L535-L599 HydrophobicContact CD2-CB 4.31Å; L535-L599 HydrophobicContact CD2-CD2 4.09Å; L535-L599 HydrophobicContact CG-CD2 4Å; V536-L599 HydrophobicContact CB-CD1 4.49Å; V536-L599 HydrophobicContact CG2-CD1 3.82Å; M539-L599 HydrophobicContact CB-CD1 4.41Å; M539-L599 HydrophobicContact CB-CD2 3.72Å; M539-L599 HydrophobicContact CG-CD2 4.1Å; L595-L599 WeakPolarHBondContact O-CB 3.4Å; L595-L599 PolarHBondContact O-N 3.01Å; V597-L599 PolarHBondContact O-N 3.36Å; L599-M602 PolarHBondContact O-N 3.33Å; L599-T603 HydrophobicContact CD1-CG2 4.17Å; L599-T603 HydrophobicContact CG-CG2 4.2Å; L599-T603 WeakPolarHBondContact O-CB 3.44Å; L599-T603 VanDerWaalsContact O-CG2 3.29Å; L599-T603 WeakPolarHBondContact O-CG2 3.35Å; L599-T603 PolarHBondContact O-N 2.77Å; L599-T603 PolarHBondContact O-OG1 2.77Å; L599-L642 HydrophobicContact CB-CD1 4.3Å; L599-L642 HydrophobicContact CD2-CB 4.3Å; L599-L642 HydrophobicContact CD2-CD1 3.89Å; L599-L642 HydrophobicContact CD2-CD2 4.11Å; L599-L642 HydrophobicContact CD2-CG 4.34Å; L599-L642 HydrophobicContact CG-CD1 3.85Å
600	A	98.6	Very high	94.8	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-61.3	-46.6	175.9	0	0	0	0	0	111.4	F596 V597 A598 M602 T603 I604 V635 K638 A639 L642	F596-A600 VanDerWaalsContact O-CB 3.26Å; F596-A600 WeakPolarHBondContact O-CB 3.23Å; F596-A600 PolarHBondContact O-N 3.27Å; V597-A600 WeakPolarHBondContact O-CB 3.41Å; V597-A600 PolarHBondContact O-N 2.85Å; A598-A600 VanDerWaalsContact C-N 3.31Å; A598-A600 PolarHBondContact O-N 3.12Å; A600-M602 VanDerWaalsContact C-N 3.33Å; A600-M602 PolarHBondContact O-N 2.86Å; A600-T603 WeakPolarHBondContact CA-OG1 3.28Å; A600-T603 PolarHBondContact O-N 3.23Å; A600-T603 PolarHBondContact O-OG1 3.47Å; A600-I604 WeakPolarHBondContact O-CB 3.36Å; A600-I604 WeakPolarHBondContact O-CD1 3.46Å; A600-I604 WeakPolarHBondContact O-CG1 3.33Å; A600-I604 PolarHBondContact O-N 2.97Å; A600-V635 HydrophobicContact CB-CG1 4.2Å; A600-V635 WeakPolarHBondContact CB-O 3.22Å; A600-K638 HydrophobicContact CB-CB 3.98Å; A600-K638 HydrophobicContact CB-CG 3.78Å; A600-A639 HydrophobicContact CB-CB 3.86Å; A600-L642 HydrophobicContact CB-CD1 4.02Å
601	I	98.1	Very high	94.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-57.9	-47.8	174.3	-65.1	168.9	0	0	0	110	W563 F568 F572 V597 A598 T603 I604 Y605 F623 M630 V635	W563-I601 HydrophobicContact CE3-CD1 4.46Å; W563-I601 HydrophobicContact CH2-CB 4.23Å; W563-I601 HydrophobicContact CH2-CG2 3.43Å; W563-I601 VanDerWaalsContact CH2-CG2 3.43Å; W563-I601 HydrophobicContact CZ2-CG2 3.89Å; W563-I601 HydrophobicContact CZ3-CB 4.21Å; W563-I601 HydrophobicContact CZ3-CG2 3.91Å; F568-I601 HydrophobicContact CD1-CD1 3.9Å; F568-I601 HydrophobicContact CE1-CD1 3.74Å; F572-I601 HydrophobicContact CE2-CD1 4.24Å; F572-I601 HydrophobicContact CZ-CD1 4.28Å; V597-I601 WeakPolarHBondContact O-CG1 3.39Å; V597-I601 PolarHBondContact O-N 3.01Å; A598-I601 PolarHBondContact O-N 3.19Å; I601-T603 PolarHBondContact O-N 2.93Å; I601-I604 PolarHBondContact O-N 3.42Å; I601-Y605 HydrophobicContact CB-CD2 4.46Å; I601-Y605 HydrophobicContact CG2-CD2 3.87Å; I601-Y605 HydrophobicContact CG2-CE2 4.4Å; I601-Y605 WeakPolarHBondContact O-CB 3.17Å; I601-Y605 WeakPolarHBondContact O-CD2 3.43Å; I601-Y605 PolarHBondContact O-N 2.94Å; I601-F623 HydrophobicContact CG2-CD1 4.36Å; I601-F623 HydrophobicContact CG2-CE1 4.34Å; I601-M630 HydrophobicContact CB-SD 4.46Å; I601-M630 HydrophobicContact CD1-CE 4.18Å; I601-M630 HydrophobicContact CD1-SD 4.13Å; I601-M630 HydrophobicContact CG1-SD 3.97Å; I601-M630 HydrophobicContact CG2-SD 3.72Å; I601-V635 HydrophobicContact CG1-CG1 3.89Å; I601-V635 HydrophobicContact CG1-CG2 4.24Å
602	M	97.8	Very high	94.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-63	-39.4	179.3	-67.5	176.9	75.9	0	0	112.8	V536 Y540 L543 L547 L557 F559 W563 A598 L599 A600 G606 F623	V536-M602 HydrophobicContact CG1-CE 4.02Å; V536-M602 HydrophobicContact CG2-CE 3.71Å; V536-M602 HydrophobicContact CG2-SD 3.68Å; Y540-M602 WeakPolarHBondContact CE1-O 3.47Å; L543-M602 HydrophobicContact CD2-CB 3.93Å; L543-M602 HydrophobicContact CD2-CE 3.67Å; L547-M602 HydrophobicContact CD1-CE 4.04Å; L557-M602 HydrophobicContact CD2-CE 4.44Å; F559-M602 HydrophobicContact CE2-CE 4.17Å; F559-M602 HydrophobicContact CE2-CG 4.45Å; F559-M602 HydrophobicContact CE2-SD 4.3Å; F559-M602 HydrophobicContact CZ-CE 4.04Å; W563-M602 HydrophobicContact CZ3-CG 4.22Å; A598-M602 WeakPolarHBondContact O-CG 3.48Å; A598-M602 PolarHBondContact O-N 3.16Å; L599-M602 PolarHBondContact O-N 3.33Å; A600-M602 VanDerWaalsContact C-N 3.33Å; A600-M602 PolarHBondContact O-N 2.86Å; M602-G606 WeakPolarHBondContact O-CA 3.43Å; M602-G606 PolarHBondContact O-N 2.89Å; M602-F623 HydrophobicContact CG-CZ 4.4Å
603	T	96.8	Very high	94.7	Very high	26 Å²	26	19.9 Å²	19.9	16%	0.16	9%	0.092	C	C	.	.	H	α-helix	trans	-74.2	-36	179.8	52.6	0	0	0	0	112.9	Y540 L599 A600 I601 K638 L642	Y540-T603 HydrophobicContact CD1-CG2 3.64Å; Y540-T603 HydrophobicContact CE1-CG2 4.25Å; Y540-T603 HydrophobicContact CG-CG2 4.08Å; L599-T603 HydrophobicContact CD1-CG2 4.17Å; L599-T603 HydrophobicContact CG-CG2 4.2Å; L599-T603 WeakPolarHBondContact O-CB 3.44Å; L599-T603 VanDerWaalsContact O-CG2 3.29Å; L599-T603 WeakPolarHBondContact O-CG2 3.35Å; L599-T603 PolarHBondContact O-N 2.77Å; L599-T603 PolarHBondContact O-OG1 2.77Å; A600-T603 WeakPolarHBondContact CA-OG1 3.28Å; A600-T603 PolarHBondContact O-N 3.23Å; A600-T603 PolarHBondContact O-OG1 3.47Å; I601-T603 PolarHBondContact O-N 2.93Å; T603-K638 WeakPolarHBondContact OG1-CE 3.21Å; T603-L642 HydrophobicContact CG2-CD1 4.39Å; T603-L642 HydrophobicContact CG2-CD2 4.44Å
604	I	95.6	Very high	94.6	Very high	24 Å²	24	19.9 Å²	19.9	12%	0.123	9%	0.092	C	C	.	.	H	α-helix	trans	-70.4	-49	177.1	-66.7	162.2	0	0	0	110.4	P333 A600 I601 I634 V635 K638	P333-I604 HydrophobicContact CB-CG2 3.71Å; P333-I604 HydrophobicContact CG-CG2 3.97Å; A600-I604 WeakPolarHBondContact O-CB 3.36Å; A600-I604 WeakPolarHBondContact O-CD1 3.46Å; A600-I604 WeakPolarHBondContact O-CG1 3.33Å; A600-I604 PolarHBondContact O-N 2.97Å; I601-I604 PolarHBondContact O-N 3.42Å; I604-I634 HydrophobicContact CD1-CG2 3.92Å; I604-V635 HydrophobicContact CD1-CG2 4.04Å; I604-K638 HydrophobicContact CD1-CB 3.87Å; I604-K638 HydrophobicContact CD1-CG 4.01Å; I604-K638 HydrophobicContact CG1-CB 4.34Å; I604-K638 HydrophobicContact CG1-CG 4Å
605	Y	95	Very high	94.5	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.008	11%	0.106	C	C	.	.	H	α-helix	trans	-102.6	-17.5	-167.6	-56	-69.4	0	0	0	113.9	F267 L331 P333 I601 S607 S608 Y622 L626 M630 V635	F267-Y605 AromaticContact CE2-CD1 3.76Å; F267-Y605 HydrophobicContact CE2-CD1 3.76Å; F267-Y605 AromaticContact CE2-CE1 3.42Å; F267-Y605 HydrophobicContact CE2-CE1 3.42Å; F267-Y605 VanDerWaalsContact CE2-CE1 3.42Å; F267-Y605 HydrophobicContact CZ-CD1 4.47Å; F267-Y605 AromaticContact CZ-CE1 3.75Å; F267-Y605 HydrophobicContact CZ-CE1 3.75Å; L331-Y605 HydrophobicContact CD2-CD1 4.27Å; P333-Y605 HydrophobicContact CB-CE1 4.48Å; P333-Y605 HydrophobicContact CG-CD1 4.4Å; P333-Y605 HydrophobicContact CG-CE1 3.46Å; P333-Y605 VanDerWaalsContact CG-CE1 3.46Å; I601-Y605 HydrophobicContact CB-CD2 4.46Å; I601-Y605 HydrophobicContact CG2-CD2 3.87Å; I601-Y605 HydrophobicContact CG2-CE2 4.4Å; I601-Y605 WeakPolarHBondContact O-CB 3.17Å; I601-Y605 WeakPolarHBondContact O-CD2 3.43Å; I601-Y605 PolarHBondContact O-N 2.94Å; Y605-S607 VanDerWaalsContact C-N 3.26Å; Y605-S607 PolarHBondContact O-N 3.41Å; Y605-S608 PolarHBondContact O-N 3.28Å; Y605-Y622 VanDerWaalsContact O-CE1 3.29Å; Y605-Y622 WeakPolarHBondContact O-CE1 3.37Å; Y605-Y622 PolarHBondContact O-OH 2.83Å; Y605-L626 HydrophobicContact CD1-CD1 4.2Å; Y605-L626 HydrophobicContact CD2-CD1 3.92Å; Y605-L626 HydrophobicContact CG-CD1 3.65Å; Y605-M630 HydrophobicContact CD2-CG 4.41Å; Y605-M630 HydrophobicContact CD2-SD 4.04Å; Y605-M630 HydrophobicContact CE2-CB 4.21Å; Y605-M630 HydrophobicContact CE2-CG 3.58Å; Y605-M630 HydrophobicContact CE2-SD 3.56Å; Y605-M630 VanDerWaalsContact CE2-SD 3.56Å; Y605-V635 HydrophobicContact CE2-CG2 4.41Å
606	G	94.8	Very high	94.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-68.4	-18	-177.8	0	0	0	0	0	114.7	M602 S608 V609 L610	M602-G606 WeakPolarHBondContact O-CA 3.43Å; M602-G606 PolarHBondContact O-N 2.89Å; G606-S608 PolarHBondContact O-N 3.03Å; G606-S608 VanDerWaalsContact O-N 3.15Å; G606-V609 VanDerWaalsContact O-CB 3.32Å; G606-V609 WeakPolarHBondContact O-CB 3.49Å; G606-V609 PolarHBondContact O-N 2.9Å; G606-L610 PolarHBondContact O-N 3.06Å
607	S	92	Very high	93.6	Very high	39 Å²	39	28 Å²	28	27%	0.273	13%	0.132	S	C	.	.	H	α-helix	trans	-59.4	-27.8	175.2	71.1	0	0	0	0	113.1	Y605 R611	Y605-S607 VanDerWaalsContact C-N 3.26Å; Y605-S607 PolarHBondContact O-N 3.41Å; S607-R611 VanDerWaalsContact O-CB 3.22Å; S607-R611 WeakPolarHBondContact O-CB 3.45Å; S607-R611 PolarHBondContact O-N 3.1Å; S607-R611 VanDerWaalsContact O-N 3.1Å; S607-R611 PolarHBondContact OG-NH2 3.42Å
608	S	91.4	Very high	93.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-69.7	-40.9	173.3	-60.2	0	0	0	0	112	L331 Y605 G606 L610 R611 E612 Y622	L331-S608 WeakPolarHBondContact CD2-OG 3.31Å; Y605-S608 PolarHBondContact O-N 3.28Å; G606-S608 PolarHBondContact O-N 3.03Å; G606-S608 VanDerWaalsContact O-N 3.15Å; S608-L610 VanDerWaalsContact C-N 3.29Å; S608-L610 PolarHBondContact O-N 2.9Å; S608-R611 PolarHBondContact O-N 3.06Å; S608-E612 VanDerWaalsContact O-CB 3.31Å; S608-E612 WeakPolarHBondContact O-CB 3.23Å; S608-E612 WeakPolarHBondContact O-CG 3.47Å; S608-E612 PolarHBondContact O-N 3.47Å; S608-Y622 WeakPolarHBondContact CB-OH 3.13Å; S608-Y622 PolarHBondContact OG-OH 3.31Å
609	V	93.3	Very high	93	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-55.9	-48.3	178	170	0	0	0	0	110.1	L543 Y546 G606 K613 M614 V619 Y622 F623	L543-V609 HydrophobicContact CD1-CG1 4.26Å; Y546-V609 HydrophobicContact CD1-CG1 3.8Å; Y546-V609 HydrophobicContact CE1-CG1 3.62Å; G606-V609 VanDerWaalsContact O-CB 3.32Å; G606-V609 WeakPolarHBondContact O-CB 3.49Å; G606-V609 PolarHBondContact O-N 2.9Å; V609-K613 WeakPolarHBondContact O-CA 3.48Å; V609-K613 PolarHBondContact O-N 2.85Å; V609-K613 VanDerWaalsContact O-N 3.07Å; V609-M614 HydrophobicContact CB-SD 4.39Å; V609-M614 HydrophobicContact CG1-CB 4.35Å; V609-M614 HydrophobicContact CG2-SD 3.9Å; V609-M614 PolarHBondContact O-N 2.73Å; V609-V619 HydrophobicContact CG1-CG2 3.59Å; V609-V619 HydrophobicContact CG2-CG1 4.49Å; V609-V619 HydrophobicContact CG2-CG2 4.29Å; V609-Y622 HydrophobicContact CG2-CD1 3.56Å; V609-Y622 HydrophobicContact CG2-CE1 3.79Å; V609-F623 HydrophobicContact CG2-CE2 4.01Å; V609-F623 HydrophobicContact CG2-CZ 4.38Å
610	L	93.4	Very high	92.6	Very high	29 Å²	29	29.1 Å²	29.1	15%	0.152	14%	0.138	C	C	.	.	H	α-helix	trans	-64.7	-47.6	178.2	-65.2	170.9	0	0	0	112.3	Y540 E542 L543 Y546 G606 S608 E612 K613	Y540-L610 HydrophobicContact CE2-CD1 4.34Å; Y540-L610 WeakPolarHBondContact OH-CD1 3.48Å; E542-L610 HydrophobicContact CB-CD1 4.44Å; E542-L610 HydrophobicContact CG-CD1 3.81Å; E542-L610 HydrophobicContact CG-CD2 4.23Å; L543-L610 HydrophobicContact CD1-CD2 4.44Å; L543-L610 HydrophobicContact CD1-CG 4.39Å; Y546-L610 HydrophobicContact CD1-CD2 3.96Å; Y546-L610 HydrophobicContact CD2-CD2 4.23Å; Y546-L610 HydrophobicContact CG-CD2 3.58Å; G606-L610 PolarHBondContact O-N 3.06Å; S608-L610 VanDerWaalsContact C-N 3.29Å; S608-L610 PolarHBondContact O-N 2.9Å; L610-E612 PolarHBondContact O-N 3.27Å; L610-K613 PolarHBondContact O-N 3.12Å
611	R	89.2	Confident	92.1	Very high	142 Å²	142	29.4 Å²	29.4	54%	0.536	14%	0.14	S	C	.	.	H	α-helix	trans	-67	-38.2	-175.5	-169.1	-166.8	-34.9	-98.8	-4.7	113.2	H327 S607 S608	H327-R611 PolarHBondContact CE1-O 2.87Å; H327-R611 VanDerWaalsContact CE1-O 3.27Å; H327-R611 PolarHBondContact ND1-O 3.07Å; S607-R611 VanDerWaalsContact O-CB 3.22Å; S607-R611 WeakPolarHBondContact O-CB 3.45Å; S607-R611 PolarHBondContact O-N 3.1Å; S607-R611 VanDerWaalsContact O-N 3.1Å; S607-R611 PolarHBondContact OG-NH2 3.42Å; S608-R611 PolarHBondContact O-N 3.06Å
612	E	87.6	Confident	91.8	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.019	14%	0.14	C	C	.	.	H	α-helix	trans	-92.6	-4.8	-177.1	-59.7	-177.1	-151.2	0	0	112.7	V263 R265 H327 S329 S608 L610 M614	V263-E612 WeakPolarHBondContact CG1-OE2 3.37Å; V263-E612 WeakPolarHBondContact CG2-OE2 3.21Å; R265-E612 IonicContact CZ-OE1 2.76Å; R265-E612 IonicContact CZ-OE2 2.86Å; R265-E612 IonicContact NE-OE1 3.64Å; R265-E612 PolarHBondContact NE-OE1 3.21Å; R265-E612 IonicContact NE-OE2 3.84Å; R265-E612 IonicContact NH2-OE1 3.52Å; R265-E612 PolarHBondContact NH2-OE1 3Å; R265-E612 VanDerWaalsContact NH2-OE1 3.16Å; R265-E612 IonicContact NH2-OE2 3.78Å; R265-E612 PolarHBondContact NH2-OE2 2.88Å; H327-E612 HydrophobicContact CB-CG 4.09Å; S329-E612 PolarHBondContact OG-OE1 3.22Å; S608-E612 VanDerWaalsContact O-CB 3.31Å; S608-E612 WeakPolarHBondContact O-CB 3.23Å; S608-E612 WeakPolarHBondContact O-CG 3.47Å; S608-E612 PolarHBondContact O-N 3.47Å; L610-E612 PolarHBondContact O-N 3.27Å; E612-M614 VanDerWaalsContact C-N 3.34Å; E612-M614 HydrophobicContact CB-CE 3.96Å; E612-M614 HydrophobicContact CB-CG 4.11Å; E612-M614 HydrophobicContact CG-CE 4.21Å; E612-M614 PolarHBondContact O-N 3.1Å; E612-M614 WeakPolarHBondContact OE2-CE 3.49Å
613	K	90.4	Very high	91.6	Very high	146 Å²	146	29.7 Å²	29.7	64%	0.635	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	53.1	-177.6	-59.7	-177	178.3	-176.6	0	111.9	Y546 V609 L610 M615	Y546-K613 WeakPolarHBondContact OH-CA 3.25Å; Y546-K613 PolarHBondContact OH-O 2.71Å; V609-K613 WeakPolarHBondContact O-CA 3.48Å; V609-K613 PolarHBondContact O-N 2.85Å; V609-K613 VanDerWaalsContact O-N 3.07Å; L610-K613 PolarHBondContact O-N 3.12Å; K613-M615 WeakPolarHBondContact O-CE 3.34Å
614	M	91	Very high	91.2	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	14%	0.137	C	C	.	.			trans	-66.2	132.2	-178.7	-63.5	-175.9	-162.3	0	0	111.7	Y546 L550 V609 E612 E618 V619 Y622	Y546-M614 PolarHBondContact OH-N 3.29Å; Y546-M614 PolarHBondContact OH-O 2.84Å; L550-M614 WeakPolarHBondContact CD1-O 3.15Å; V609-M614 HydrophobicContact CB-SD 4.39Å; V609-M614 HydrophobicContact CG1-CB 4.35Å; V609-M614 HydrophobicContact CG2-SD 3.9Å; V609-M614 PolarHBondContact O-N 2.73Å; E612-M614 VanDerWaalsContact C-N 3.34Å; E612-M614 HydrophobicContact CB-CE 3.96Å; E612-M614 HydrophobicContact CB-CG 4.11Å; E612-M614 HydrophobicContact CG-CE 4.21Å; E612-M614 PolarHBondContact O-N 3.1Å; E612-M614 WeakPolarHBondContact OE2-CE 3.49Å; M614-E618 HydrophobicContact CB-CB 3.78Å; M614-E618 HydrophobicContact CG-CB 4.23Å; M614-V619 HydrophobicContact CB-CG2 3.69Å; M614-Y622 HydrophobicContact CE-CD1 4.38Å; M614-Y622 HydrophobicContact CE-CD2 4.24Å; M614-Y622 HydrophobicContact CE-CG 4.1Å; M614-Y622 HydrophobicContact SD-CD1 4.13Å; M614-Y622 HydrophobicContact SD-CG 3.89Å
615	M	90.9	Very high	90.9	Very high	65 Å²	65	28.4 Å²	28.4	32%	0.32	13%	0.134	S	C	.	.			trans	-72.4	168.8	169.5	-61.3	-68.3	113.6	0	0	111.5	L550 K613 D617 E618 V619	L550-M615 HydrophobicContact CD2-CE 4.23Å; L550-M615 HydrophobicContact CD2-SD 4.34Å; K613-M615 WeakPolarHBondContact O-CE 3.34Å; M615-D617 VanDerWaalsContact C-N 3.33Å; M615-D617 VanDerWaalsContact CB-OD1 3.27Å; M615-D617 WeakPolarHBondContact CB-OD1 3.46Å; M615-D617 PolarHBondContact O-N 2.75Å; M615-E618 HydrophobicContact CB-CG 4.37Å; M615-E618 WeakPolarHBondContact CB-OE2 2.86Å; M615-E618 WeakPolarHBondContact CG-OE2 2.99Å; M615-E618 PolarHBondContact N-OE2 3.46Å; M615-E618 CarbonylContact O-C 3.53Å; M615-E618 WeakPolarHBondContact O-CA 3.44Å; M615-E618 WeakPolarHBondContact O-CB 3.48Å; M615-E618 PolarHBondContact O-N 3.01Å; M615-V619 WeakPolarHBondContact O-CG2 3.31Å; M615-V619 PolarHBondContact O-N 2.93Å
616	H	88.2	Confident	90.7	Very high	54 Å²	54	28.4 Å²	28.4	25%	0.25	13%	0.134	C	C	.	.	H	α-helix	trans	-50.1	-47.3	-175	172.3	63.8	0	0	0	114.4	D553 S554 V619 L620	D553-H616 VanDerWaalsContact C-CE1 3.48Å; D553-H616 PolarHBondContact O-CE1 3.33Å; D553-H616 VanDerWaalsContact O-CE1 3.3Å; S554-H616 VanDerWaalsContact CA-ND1 3.33Å; S554-H616 WeakPolarHBondContact CA-ND1 3.33Å; S554-H616 PolarHBondContact N-ND1 3.01Å; H616-V619 PolarHBondContact O-N 3.4Å; H616-L620 PolarHBondContact O-N 3.12Å; H616-L620 VanDerWaalsContact O-N 3.1Å
617	D	87.4	Confident	90.5	Very high	55 Å²	55	29.2 Å²	29.2	29%	0.294	14%	0.14	S	C	.	.	H	α-helix	trans	-64.8	-42.6	176	55	-23	0	0	0	112.5	M217 M615 V619 L620 L621	M217-D617 HydrophobicContact SD-CB 4.13Å; M615-D617 VanDerWaalsContact C-N 3.33Å; M615-D617 VanDerWaalsContact CB-OD1 3.27Å; M615-D617 WeakPolarHBondContact CB-OD1 3.46Å; M615-D617 PolarHBondContact O-N 2.75Å; D617-V619 VanDerWaalsContact C-N 3.32Å; D617-V619 PolarHBondContact O-N 2.69Å; D617-L620 PolarHBondContact O-N 3.46Å; D617-L621 WeakPolarHBondContact O-CB 3.42Å; D617-L621 PolarHBondContact O-N 3.44Å
618	E	90	Very high	90.3	Very high	3 Å²	3	32 Å²	32	1%	0.014	15%	0.152	C	C	.	.	H	α-helix	trans	-63.1	-37.5	175.2	-59.5	-179.8	107.4	0	0	111.3	K262 Y287 M614 M615 Y622	K262-E618 IonicContact NZ-OE1 3.9Å; K262-E618 PolarHBondContact NZ-OE1 2.8Å; K262-E618 IonicContact NZ-OE2 3.55Å; Y287-E618 HydrophobicContact CE2-CG 4.4Å; Y287-E618 WeakPolarHBondContact OH-CB 3.47Å; Y287-E618 VanDerWaalsContact OH-CD 3.29Å; Y287-E618 WeakPolarHBondContact OH-CG 3.38Å; Y287-E618 PolarHBondContact OH-OE1 3.21Å; M614-E618 HydrophobicContact CB-CB 3.78Å; M614-E618 HydrophobicContact CG-CB 4.23Å; M615-E618 HydrophobicContact CB-CG 4.37Å; M615-E618 WeakPolarHBondContact CB-OE2 2.86Å; M615-E618 WeakPolarHBondContact CG-OE2 2.99Å; M615-E618 PolarHBondContact N-OE2 3.46Å; M615-E618 CarbonylContact O-C 3.53Å; M615-E618 WeakPolarHBondContact O-CA 3.44Å; M615-E618 WeakPolarHBondContact O-CB 3.48Å; M615-E618 PolarHBondContact O-N 3.01Å; E618-Y622 WeakPolarHBondContact O-CB 3.07Å; E618-Y622 PolarHBondContact O-N 3.42Å
619	V	92.7	Very high	90.2	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	16%	0.16	C	C	.	.	H	α-helix	trans	-66.1	-45.1	176.4	174	0	0	0	0	111.2	L547 L550 F559 V609 M614 M615 H616 D617 Y622 F623	L547-V619 HydrophobicContact CD2-CG1 4.28Å; L550-V619 HydrophobicContact CD1-CG2 4.29Å; F559-V619 HydrophobicContact CD1-CG1 3.85Å; F559-V619 HydrophobicContact CE1-CG1 3.7Å; V609-V619 HydrophobicContact CG1-CG2 3.59Å; V609-V619 HydrophobicContact CG2-CG1 4.49Å; V609-V619 HydrophobicContact CG2-CG2 4.29Å; M614-V619 HydrophobicContact CB-CG2 3.69Å; M615-V619 WeakPolarHBondContact O-CG2 3.31Å; M615-V619 PolarHBondContact O-N 2.93Å; H616-V619 PolarHBondContact O-N 3.4Å; D617-V619 VanDerWaalsContact C-N 3.32Å; D617-V619 PolarHBondContact O-N 2.69Å; V619-Y622 PolarHBondContact O-N 2.82Å; V619-F623 HydrophobicContact CG1-CD2 3.76Å; V619-F623 HydrophobicContact CG1-CE2 3.88Å; V619-F623 WeakPolarHBondContact O-CD2 3.49Å; V619-F623 PolarHBondContact O-N 2.81Å
620	L	90.6	Very high	90.1	Very high	21 Å²	21	33.9 Å²	33.9	11%	0.11	16%	0.16	C	C	.	.	H	α-helix	trans	-61.1	-50.7	177.3	177.7	55.6	0	0	0	111.2	F211 L558 F559 H616 D617 Y622 F623 N624	F211-L620 HydrophobicContact CE1-CD2 4.23Å; F211-L620 HydrophobicContact CE1-CG 4.22Å; F211-L620 HydrophobicContact CE2-CD2 3.76Å; F211-L620 HydrophobicContact CE2-CG 4.39Å; F211-L620 HydrophobicContact CZ-CD2 3.47Å; F211-L620 VanDerWaalsContact CZ-CD2 3.47Å; F211-L620 HydrophobicContact CZ-CG 3.94Å; L558-L620 HydrophobicContact CB-CD1 4.39Å; F559-L620 HydrophobicContact CB-CD1 3.74Å; H616-L620 PolarHBondContact O-N 3.12Å; H616-L620 VanDerWaalsContact O-N 3.1Å; D617-L620 PolarHBondContact O-N 3.46Å; L620-Y622 VanDerWaalsContact C-N 3.3Å; L620-Y622 PolarHBondContact O-N 3.03Å; L620-F623 PolarHBondContact O-N 3.34Å; L620-N624 WeakPolarHBondContact O-CB 3.47Å; L620-N624 VanDerWaalsContact O-CG 3.26Å; L620-N624 PolarHBondContact O-N 3.15Å
621	L	87.9	Confident	90.1	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.026	16%	0.157	C	C	.	.	H	α-helix	trans	-58.8	-42.6	176	176.9	62	0	0	0	111.6	P208 F211 A212 M217 Y287 D617 S625	P208-L621 HydrophobicContact CB-CD1 3.94Å; P208-L621 WeakPolarHBondContact O-CD1 3.26Å; F211-L621 HydrophobicContact CD1-CB 4.11Å; F211-L621 HydrophobicContact CD1-CD1 4.09Å; F211-L621 HydrophobicContact CE1-CB 4.18Å; A212-L621 HydrophobicContact CB-CD1 4.25Å; A212-L621 HydrophobicContact CB-CD2 4.42Å; M217-L621 HydrophobicContact CE-CB 4.4Å; M217-L621 HydrophobicContact CE-CD2 4.23Å; M217-L621 HydrophobicContact SD-CD2 4.48Å; Y287-L621 HydrophobicContact CD1-CD2 4.49Å; Y287-L621 HydrophobicContact CD2-CD2 3.36Å; Y287-L621 HydrophobicContact CE2-CD2 3.73Å; Y287-L621 HydrophobicContact CG-CD2 3.79Å; D617-L621 WeakPolarHBondContact O-CB 3.42Å; D617-L621 PolarHBondContact O-N 3.44Å; L621-S625 WeakPolarHBondContact O-CB 3.37Å; L621-S625 PolarHBondContact O-N 2.81Å
622	Y	92	Very high	90.3	Very high	5 Å²	5	27.1 Å²	27.1	2%	0.02	14%	0.136	C	C	.	.	H	α-helix	trans	-60.5	-54.8	-179.6	171.7	-117.5	0	0	0	112.2	Y605 S608 V609 M614 E618 V619 L620 N624 S625 L626	Y605-Y622 VanDerWaalsContact O-CE1 3.29Å; Y605-Y622 WeakPolarHBondContact O-CE1 3.37Å; Y605-Y622 PolarHBondContact O-OH 2.83Å; S608-Y622 WeakPolarHBondContact CB-OH 3.13Å; S608-Y622 PolarHBondContact OG-OH 3.31Å; V609-Y622 HydrophobicContact CG2-CD1 3.56Å; V609-Y622 HydrophobicContact CG2-CE1 3.79Å; M614-Y622 HydrophobicContact CE-CD1 4.38Å; M614-Y622 HydrophobicContact CE-CD2 4.24Å; M614-Y622 HydrophobicContact CE-CG 4.1Å; M614-Y622 HydrophobicContact SD-CD1 4.13Å; M614-Y622 HydrophobicContact SD-CG 3.89Å; E618-Y622 WeakPolarHBondContact O-CB 3.07Å; E618-Y622 PolarHBondContact O-N 3.42Å; V619-Y622 PolarHBondContact O-N 2.82Å; L620-Y622 VanDerWaalsContact C-N 3.3Å; L620-Y622 PolarHBondContact O-N 3.03Å; Y622-N624 VanDerWaalsContact C-N 3.34Å; Y622-N624 PolarHBondContact O-N 3.39Å; Y622-S625 PolarHBondContact O-N 3.19Å; Y622-S625 VanDerWaalsContact O-N 3.15Å; Y622-S625 PolarHBondContact O-OG 2.88Å; Y622-L626 HydrophobicContact CE1-CD1 4.44Å; Y622-L626 HydrophobicContact CE2-CD2 4.29Å
623	F	93.2	Very high	90.7	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-66	-37	-178.4	-83.2	-65.2	0	0	0	112.2	F559 W563 I601 M602 V609 V619 L620 S625 L626	F559-F623 HydrophobicContact CB-CB 3.73Å; F559-F623 HydrophobicContact CB-CD2 4.38Å; F559-F623 HydrophobicContact CB-CG 4.4Å; F559-F623 HydrophobicContact CD1-CD2 4.07Å; F559-F623 HydrophobicContact CD2-CB 4.11Å; F559-F623 AromaticContact CD2-CD2 3.71Å; F559-F623 HydrophobicContact CD2-CD2 3.71Å; F559-F623 HydrophobicContact CD2-CE2 4.27Å; F559-F623 AromaticContact CD2-CG 3.93Å; F559-F623 HydrophobicContact CD2-CG 3.93Å; F559-F623 HydrophobicContact CE1-CD2 4.26Å; F559-F623 HydrophobicContact CE1-CE2 4.43Å; F559-F623 AromaticContact CE2-CD2 3.92Å; F559-F623 HydrophobicContact CE2-CD2 3.92Å; F559-F623 HydrophobicContact CE2-CE2 4.01Å; F559-F623 HydrophobicContact CE2-CG 4.43Å; F559-F623 HydrophobicContact CG-CB 4.04Å; F559-F623 AromaticContact CG-CD2 3.79Å; F559-F623 HydrophobicContact CG-CD2 3.79Å; F559-F623 HydrophobicContact CG-CG 4.16Å; F559-F623 HydrophobicContact CZ-CD2 4.18Å; F559-F623 HydrophobicContact CZ-CE2 4.08Å; W563-F623 HydrophobicContact CH2-CB 4.32Å; W563-F623 AromaticContact CH2-CD1 3.57Å; W563-F623 HydrophobicContact CH2-CD1 3.57Å; W563-F623 HydrophobicContact CH2-CE1 4.07Å; W563-F623 HydrophobicContact CH2-CG 4.04Å; W563-F623 HydrophobicContact CZ2-CB 3.93Å; W563-F623 AromaticContact CZ2-CD1 3.85Å; W563-F623 HydrophobicContact CZ2-CD1 3.85Å; W563-F623 HydrophobicContact CZ2-CG 4.14Å; I601-F623 HydrophobicContact CG2-CD1 4.36Å; I601-F623 HydrophobicContact CG2-CE1 4.34Å; M602-F623 HydrophobicContact CG-CZ 4.4Å; V609-F623 HydrophobicContact CG2-CE2 4.01Å; V609-F623 HydrophobicContact CG2-CZ 4.38Å; V619-F623 HydrophobicContact CG1-CD2 3.76Å; V619-F623 HydrophobicContact CG1-CE2 3.88Å; V619-F623 WeakPolarHBondContact O-CD2 3.49Å; V619-F623 PolarHBondContact O-N 2.81Å; L620-F623 PolarHBondContact O-N 3.34Å; F623-S625 VanDerWaalsContact C-N 3.28Å; F623-S625 PolarHBondContact O-N 2.72Å; F623-L626 HydrophobicContact CD1-CD1 3.95Å; F623-L626 HydrophobicContact CE1-CD1 4.48Å; F623-L626 WeakPolarHBondContact O-CB 3.33Å; F623-L626 PolarHBondContact O-N 2.74Å
624	N	89.2	Confident	90.9	Very high	17 Å²	17	28 Å²	28	9%	0.091	14%	0.137	C	C	.	.	H	α-helix	trans	-62.1	-36	173.5	-73	-7.7	0	0	0	112	P208 L620 Y622 L626 A627	P208-N624 HydrophobicContact CG-CB 4.49Å; L620-N624 WeakPolarHBondContact O-CB 3.47Å; L620-N624 VanDerWaalsContact O-CG 3.26Å; L620-N624 PolarHBondContact O-N 3.15Å; Y622-N624 VanDerWaalsContact C-N 3.34Å; Y622-N624 PolarHBondContact O-N 3.39Å; N624-L626 PolarHBondContact O-N 3.4Å; N624-A627 WeakPolarHBondContact O-CB 3.39Å; N624-A627 PolarHBondContact O-N 2.73Å
625	S	87.7	Confident	91.2	Very high	6 Å²	6	28 Å²	28	4%	0.042	14%	0.137	C	C	.	.	H	α-helix	trans	-66.3	-15	179.1	75.7	0	0	0	0	115.1	P208 Q277 L621 Y622 F623 A627	P208-S625 VanDerWaalsContact CG-CA 3.47Å; Q277-S625 PolarHBondContact NE2-O 3.38Å; L621-S625 WeakPolarHBondContact O-CB 3.37Å; L621-S625 PolarHBondContact O-N 2.81Å; Y622-S625 PolarHBondContact O-N 3.19Å; Y622-S625 VanDerWaalsContact O-N 3.15Å; Y622-S625 PolarHBondContact O-OG 2.88Å; F623-S625 VanDerWaalsContact C-N 3.28Å; F623-S625 PolarHBondContact O-N 2.72Å; S625-A627 VanDerWaalsContact C-N 3.34Å
626	L	91.6	Very high	91.6	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-12.7	178.2	-58	177.6	0	0	0	113.3	F267 Y605 Y622 F623 N624 L628 H629 M630	F267-L626 HydrophobicContact CD2-CD2 3.99Å; F267-L626 HydrophobicContact CE2-CD2 3.63Å; F267-L626 HydrophobicContact CZ-CD2 4.06Å; Y605-L626 HydrophobicContact CD1-CD1 4.2Å; Y605-L626 HydrophobicContact CD2-CD1 3.92Å; Y605-L626 HydrophobicContact CG-CD1 3.65Å; Y622-L626 HydrophobicContact CE1-CD1 4.44Å; Y622-L626 HydrophobicContact CE2-CD2 4.29Å; F623-L626 HydrophobicContact CD1-CD1 3.95Å; F623-L626 HydrophobicContact CE1-CD1 4.48Å; F623-L626 WeakPolarHBondContact O-CB 3.33Å; F623-L626 PolarHBondContact O-N 2.74Å; N624-L626 PolarHBondContact O-N 3.4Å; L626-L628 PolarHBondContact O-N 3.21Å; L626-H629 WeakPolarHBondContact O-CB 3.38Å; L626-H629 PolarHBondContact O-N 3.47Å; L626-M630 HydrophobicContact CB-CE 4.39Å; L626-M630 HydrophobicContact CB-CG 3.93Å; L626-M630 HydrophobicContact CB-SD 4.03Å; L626-M630 HydrophobicContact CD1-SD 4.5Å; L626-M630 PolarHBondContact O-N 3Å
627	A	90	Very high	92	Very high	17 Å²	17	24 Å²	24	14%	0.14	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	130.9	-178.8	0	0	0	0	0	111.5	E571 N624 S625 H629	E571-A627 VanDerWaalsContact OE2-CB 3.31Å; E571-A627 WeakPolarHBondContact OE2-CB 3.42Å; N624-A627 WeakPolarHBondContact O-CB 3.39Å; N624-A627 PolarHBondContact O-N 2.73Å; S625-A627 VanDerWaalsContact C-N 3.34Å; A627-H629 PolarHBondContact O-CD2 3.2Å; A627-H629 PolarHBondContact O-N 3.36Å
628	L	88.8	Confident	92.5	Very high	99 Å²	99	22.3 Å²	22.3	52%	0.518	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	10.5	-176.4	-49.9	178	0	0	0	115.4	E571 F572 L626	E571-L628 WeakPolarHBondContact O-CA 3.38Å; E571-L628 PolarHBondContact O-N 2.81Å; F572-L628 WeakPolarHBondContact O-CD2 3.25Å; L626-L628 PolarHBondContact O-N 3.21Å
629	H	88.9	Confident	92.9	Very high	34 Å²	34	22.2 Å²	22.2	16%	0.157	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-11.1	-178.7	-73.2	-77.4	0	0	0	113.7	F267 S269 Q277 Y291 L626 A627	F267-H629 HydrophobicContact CD1-CB 4.25Å; F267-H629 HydrophobicContact CE1-CB 3.67Å; F267-H629 VanDerWaalsContact CE1-O 3.24Å; F267-H629 WeakPolarHBondContact CE1-O 3.43Å; F267-H629 HydrophobicContact CZ-CB 4.47Å; S269-H629 VanDerWaalsContact CA-O 3.31Å; S269-H629 WeakPolarHBondContact CA-O 3.2Å; S269-H629 WeakPolarHBondContact CB-O 3.41Å; S269-H629 WeakPolarHBondContact OG-CB 3.3Å; S269-H629 PolarHBondContact OG-ND1 2.85Å; S269-H629 PolarHBondContact OG-O 2.81Å; Q277-H629 PolarHBondContact NE2-CD2 2.84Å; Q277-H629 PolarHBondContact NE2-NE2 3.38Å; Y291-H629 AromaticContact CD1-CE1 3.72Å; Y291-H629 AromaticContact CD1-NE2 3.59Å; Y291-H629 AromaticContact CE1-CE1 3.9Å; Y291-H629 AromaticContact CE1-NE2 3.3Å; Y291-H629 VanDerWaalsContact CE1-NE2 3.3Å; Y291-H629 WeakPolarHBondContact CE1-NE2 3.36Å; L626-H629 WeakPolarHBondContact O-CB 3.38Å; L626-H629 PolarHBondContact O-N 3.47Å; A627-H629 PolarHBondContact O-CD2 3.2Å; A627-H629 PolarHBondContact O-N 3.36Å
630	M	92.2	Very high	93.2	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.02	11%	0.11	C	C	.	.	S	Bend	trans	-80.9	138.6	179.6	-63	179.5	-76.2	0	0	111.8	E571 F572 I601 Y605 L626 V632 V635	E571-M630 HydrophobicContact CB-CE 3.75Å; F572-M630 HydrophobicContact CD1-CB 4.43Å; F572-M630 HydrophobicContact CE1-CB 3.61Å; F572-M630 HydrophobicContact CE1-CE 4.37Å; F572-M630 HydrophobicContact CE2-CE 4.1Å; F572-M630 HydrophobicContact CZ-CB 4.05Å; F572-M630 HydrophobicContact CZ-CE 3.87Å; F572-M630 HydrophobicContact CZ-SD 4.35Å; I601-M630 HydrophobicContact CB-SD 4.46Å; I601-M630 HydrophobicContact CD1-CE 4.18Å; I601-M630 HydrophobicContact CD1-SD 4.13Å; I601-M630 HydrophobicContact CG1-SD 3.97Å; I601-M630 HydrophobicContact CG2-SD 3.72Å; Y605-M630 HydrophobicContact CD2-CG 4.41Å; Y605-M630 HydrophobicContact CD2-SD 4.04Å; Y605-M630 HydrophobicContact CE2-CB 4.21Å; Y605-M630 HydrophobicContact CE2-CG 3.58Å; Y605-M630 HydrophobicContact CE2-SD 3.56Å; Y605-M630 VanDerWaalsContact CE2-SD 3.56Å; L626-M630 HydrophobicContact CB-CE 4.39Å; L626-M630 HydrophobicContact CB-CG 3.93Å; L626-M630 HydrophobicContact CB-SD 4.03Å; L626-M630 HydrophobicContact CD1-SD 4.5Å; L626-M630 PolarHBondContact O-N 3Å; M630-V632 PolarHBondContact O-N 3.14Å; M630-V635 HydrophobicContact CB-CG2 4.47Å
631	D	92.1	Very high	93.5	Very high	16 Å²	16	21.7 Å²	21.7	9%	0.086	11%	0.105	C	C	.	.			trans	-77.8	112.1	172.8	-171.8	-40.3	0	0	0	110.3	P271 R633 I634 V635	P271-D631 WeakPolarHBondContact CD-OD2 3.42Å; P271-D631 VanDerWaalsContact CG-OD2 3.28Å; P271-D631 WeakPolarHBondContact CG-OD2 3.38Å; D631-R633 PolarHBondContact O-N 2.88Å; D631-R633 WeakPolarHBondContact OD1-CA 3.46Å; D631-R633 VanDerWaalsContact OD1-CB 3.23Å; D631-R633 WeakPolarHBondContact OD1-CB 3.25Å; D631-R633 PolarHBondContact OD1-N 3.37Å; D631-R633 IonicContact OD1-NE 3.85Å; D631-R633 PolarHBondContact OD1-NE 2.83Å; D631-R633 IonicContact OD1-NH2 3.58Å; D631-R633 IonicContact OD2-CZ 3.24Å; D631-R633 IonicContact OD2-NE 3.63Å; D631-R633 PolarHBondContact OD2-NE 3.12Å; D631-R633 IonicContact OD2-NH2 2.63Å; D631-R633 PolarHBondContact OD2-NH2 2.98Å; D631-I634 HydrophobicContact CB-CB 4.28Å; D631-I634 HydrophobicContact CB-CD1 3.94Å; D631-I634 HydrophobicContact CB-CG1 3.99Å; D631-I634 PolarHBondContact O-N 3.08Å; D631-I634 PolarHBondContact OD1-N 3.03Å; D631-V635 WeakPolarHBondContact O-CG2 3.42Å; D631-V635 PolarHBondContact O-N 2.77Å; D631-V635 VanDerWaalsContact O-N 3.1Å
632	V	95	Very high	94	Very high	13 Å²	13	22.1 Å²	22.1	8%	0.079	11%	0.107	C	C	.	.	H	α-helix	trans	-58.6	-32.5	-179.1	67.6	0	0	0	0	113.2	F572 E576 I580 M630 V635 L636	F572-V632 HydrophobicContact CD1-CB 3.92Å; F572-V632 HydrophobicContact CD1-CG2 4.35Å; F572-V632 HydrophobicContact CE1-CB 4.08Å; F572-V632 HydrophobicContact CE1-CG2 4.48Å; E576-V632 HydrophobicContact CB-CB 3.89Å; E576-V632 HydrophobicContact CB-CG1 3.81Å; E576-V632 HydrophobicContact CB-CG2 4.08Å; E576-V632 HydrophobicContact CG-CB 4.23Å; E576-V632 HydrophobicContact CG-CG1 3.69Å; I580-V632 HydrophobicContact CD1-CG2 4.06Å; I580-V632 HydrophobicContact CG1-CG2 3.87Å; M630-V632 PolarHBondContact O-N 3.14Å; V632-V635 PolarHBondContact O-N 3.49Å; V632-L636 HydrophobicContact CG2-CD1 3.89Å; V632-L636 HydrophobicContact CG2-CG 4.15Å; V632-L636 WeakPolarHBondContact O-CB 3.46Å; V632-L636 WeakPolarHBondContact O-CG 3.2Å; V632-L636 PolarHBondContact O-N 3.14Å
633	R	94.6	Very high	94.1	Very high	139 Å²	139	22.2 Å²	22.2	53%	0.525	11%	0.108	S	C	.	.	H	α-helix	trans	-67.1	-45.8	-179.2	-59.3	169.6	-68.1	-170.5	-5.6	109.7	P271 D631 V635 L636 T637	P271-R633 VanDerWaalsContact CG-NH2 3.29Å; D631-R633 PolarHBondContact O-N 2.88Å; D631-R633 WeakPolarHBondContact OD1-CA 3.46Å; D631-R633 VanDerWaalsContact OD1-CB 3.23Å; D631-R633 WeakPolarHBondContact OD1-CB 3.25Å; D631-R633 PolarHBondContact OD1-N 3.37Å; D631-R633 IonicContact OD1-NE 3.85Å; D631-R633 PolarHBondContact OD1-NE 2.83Å; D631-R633 IonicContact OD1-NH2 3.58Å; D631-R633 IonicContact OD2-CZ 3.24Å; D631-R633 IonicContact OD2-NE 3.63Å; D631-R633 PolarHBondContact OD2-NE 3.12Å; D631-R633 IonicContact OD2-NH2 2.63Å; D631-R633 PolarHBondContact OD2-NH2 2.98Å; R633-V635 VanDerWaalsContact C-N 3.35Å; R633-V635 PolarHBondContact O-N 2.99Å; R633-L636 PolarHBondContact O-N 2.97Å; R633-T637 WeakPolarHBondContact O-CB 2.96Å; R633-T637 PolarHBondContact O-N 3.42Å; R633-T637 PolarHBondContact O-OG1 3.41Å
634	I	95.2	Very high	94.2	Very high	31 Å²	31	24.4 Å²	24.4	16%	0.159	12%	0.117	C	C	.	.	H	α-helix	trans	-62.3	-45.3	177.3	-60.3	-178	0	0	0	110.1	P333 L335 I604 D631 K638	P333-I634 HydrophobicContact CB-CD1 3.92Å; P333-I634 HydrophobicContact CB-CG2 4.06Å; P333-I634 WeakPolarHBondContact O-CD1 3.49Å; L335-I634 HydrophobicContact CD1-CG2 4.21Å; L335-I634 HydrophobicContact CD2-CG2 4.08Å; L335-I634 HydrophobicContact CG-CG2 3.98Å; I604-I634 HydrophobicContact CD1-CG2 3.92Å; D631-I634 HydrophobicContact CB-CB 4.28Å; D631-I634 HydrophobicContact CB-CD1 3.94Å; D631-I634 HydrophobicContact CB-CG1 3.99Å; D631-I634 PolarHBondContact O-N 3.08Å; D631-I634 PolarHBondContact OD1-N 3.03Å; I634-K638 VanDerWaalsContact O-CB 3.28Å; I634-K638 WeakPolarHBondContact O-CB 3.16Å; I634-K638 PolarHBondContact O-N 3.1Å
635	V	97.5	Very high	94.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.3	-47.9	179.6	173	0	0	0	0	111.2	F572 V597 A600 I601 I604 Y605 M630 D631 V632 R633 K638 A639	F572-V635 HydrophobicContact CE1-CG2 4.31Å; F572-V635 HydrophobicContact CZ-CB 4.32Å; F572-V635 HydrophobicContact CZ-CG1 4.19Å; F572-V635 HydrophobicContact CZ-CG2 4.09Å; V597-V635 HydrophobicContact CG1-CG1 3.86Å; A600-V635 HydrophobicContact CB-CG1 4.2Å; A600-V635 WeakPolarHBondContact CB-O 3.22Å; I601-V635 HydrophobicContact CG1-CG1 3.89Å; I601-V635 HydrophobicContact CG1-CG2 4.24Å; I604-V635 HydrophobicContact CD1-CG2 4.04Å; Y605-V635 HydrophobicContact CE2-CG2 4.41Å; M630-V635 HydrophobicContact CB-CG2 4.47Å; D631-V635 WeakPolarHBondContact O-CG2 3.42Å; D631-V635 PolarHBondContact O-N 2.77Å; D631-V635 VanDerWaalsContact O-N 3.1Å; V632-V635 PolarHBondContact O-N 3.49Å; R633-V635 VanDerWaalsContact C-N 3.35Å; R633-V635 PolarHBondContact O-N 2.99Å; V635-K638 PolarHBondContact O-N 2.96Å; V635-A639 WeakPolarHBondContact O-CB 3.28Å; V635-A639 PolarHBondContact O-N 3.26Å
636	L	97.9	Very high	94.7	Very high	14 Å²	14	27 Å²	27	7%	0.073	13%	0.128	C	C	.	.	H	α-helix	trans	-65.1	-45.7	179	-76.9	176.7	0	0	0	112.3	C579 I580 A583 F593 V597 V632 R633 K638 A639 R640	C579-L636 HydrophobicContact CB-CD1 4.25Å; I580-L636 HydrophobicContact CG1-CD1 4.45Å; I580-L636 HydrophobicContact CG1-CD2 4.04Å; I580-L636 HydrophobicContact CG1-CG 4.29Å; A583-L636 HydrophobicContact CB-CD2 4.36Å; F593-L636 HydrophobicContact CE1-CD2 3.91Å; F593-L636 HydrophobicContact CZ-CD2 4.35Å; V597-L636 HydrophobicContact CG2-CD2 4.4Å; V632-L636 HydrophobicContact CG2-CD1 3.89Å; V632-L636 HydrophobicContact CG2-CG 4.15Å; V632-L636 WeakPolarHBondContact O-CB 3.46Å; V632-L636 WeakPolarHBondContact O-CG 3.2Å; V632-L636 PolarHBondContact O-N 3.14Å; R633-L636 PolarHBondContact O-N 2.97Å; L636-K638 VanDerWaalsContact C-N 3.3Å; L636-K638 PolarHBondContact O-N 2.99Å; L636-A639 PolarHBondContact O-N 3.1Å; L636-R640 WeakPolarHBondContact O-CG 3.35Å; L636-R640 PolarHBondContact O-N 3.03Å
637	T	97.8	Very high	94.7	Very high	20 Å²	20	28.6 Å²	28.6	12%	0.123	13%	0.133	C	C	.	.	H	α-helix	trans	-59	-43	176.4	-62.5	0	0	0	0	111.2	L335 L340 E344 R633 R640 G641	L335-T637 HydrophobicContact CD1-CG2 3.55Å; L340-T637 HydrophobicContact CD1-CG2 4.24Å; L340-T637 HydrophobicContact CD2-CG2 4.4Å; L340-T637 HydrophobicContact CG-CG2 3.72Å; E344-T637 HydrophobicContact CG-CG2 3.8Å; E344-T637 PolarHBondContact OE1-OG1 3.41Å; R633-T637 WeakPolarHBondContact O-CB 2.96Å; R633-T637 PolarHBondContact O-N 3.42Å; R633-T637 PolarHBondContact O-OG1 3.41Å; T637-R640 PolarHBondContact OG1-NH2 2.75Å; T637-G641 PolarHBondContact O-N 3.43Å; T637-G641 VanDerWaalsContact O-N 3.09Å
638	K	98.1	Very high	94.7	Very high	21 Å²	21	35 Å²	35	9%	0.091	15%	0.154	C	C	.	.	H	α-helix	trans	-64.8	-43	175.6	179.8	63.3	174.6	-178.2	0	112.1	L335 E339 A600 T603 I604 I634 V635 L636 R640 G641 L642	L335-K638 HydrophobicContact CD1-CB 4.04Å; L335-K638 HydrophobicContact CD2-CB 4.02Å; L335-K638 HydrophobicContact CD2-CD 3.99Å; L335-K638 HydrophobicContact CD2-CG 4.36Å; E339-K638 HydrophobicContact CB-CD 4.47Å; E339-K638 IonicContact OE1-NZ 2.67Å; E339-K638 PolarHBondContact OE1-NZ 3.21Å; A600-K638 HydrophobicContact CB-CB 3.98Å; A600-K638 HydrophobicContact CB-CG 3.78Å; T603-K638 WeakPolarHBondContact OG1-CE 3.21Å; I604-K638 HydrophobicContact CD1-CB 3.87Å; I604-K638 HydrophobicContact CD1-CG 4.01Å; I604-K638 HydrophobicContact CG1-CB 4.34Å; I604-K638 HydrophobicContact CG1-CG 4Å; I634-K638 VanDerWaalsContact O-CB 3.28Å; I634-K638 WeakPolarHBondContact O-CB 3.16Å; I634-K638 PolarHBondContact O-N 3.1Å; V635-K638 PolarHBondContact O-N 2.96Å; L636-K638 VanDerWaalsContact C-N 3.3Å; L636-K638 PolarHBondContact O-N 2.99Å; K638-R640 PolarHBondContact O-N 3.41Å; K638-G641 PolarHBondContact O-N 3.32Å; K638-L642 HydrophobicContact CD-CD1 4.29Å; K638-L642 HydrophobicContact CD-CG 4.27Å; K638-L642 HydrophobicContact CG-CD1 3.94Å; K638-L642 HydrophobicContact CG-CG 4.38Å; K638-L642 WeakPolarHBondContact O-CB 3.2Å; K638-L642 VanDerWaalsContact O-CG 3.31Å; K638-L642 WeakPolarHBondContact O-CG 3.31Å; K638-L642 PolarHBondContact O-N 3.33Å
639	A	98.5	Very high	94.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.9	-44.3	178.7	0	0	0	0	0	111.8	F593 F596 V597 A600 V635 L636 G641 L642 L643	F593-A639 HydrophobicContact CE2-CB 3.88Å; F593-A639 HydrophobicContact CZ-CB 3.69Å; F596-A639 HydrophobicContact CB-CB 4.33Å; V597-A639 HydrophobicContact CG2-CB 4.09Å; A600-A639 HydrophobicContact CB-CB 3.86Å; V635-A639 WeakPolarHBondContact O-CB 3.28Å; V635-A639 PolarHBondContact O-N 3.26Å; L636-A639 PolarHBondContact O-N 3.1Å; A639-G641 PolarHBondContact O-N 3.16Å; A639-L642 PolarHBondContact O-N 2.88Å; A639-L643 PolarHBondContact O-N 2.91Å
640	R	97.7	Very high	95	Very high	12 Å²	12	39.3 Å²	39.3	5%	0.045	17%	0.173	C	C	.	.	H	α-helix	trans	-61.4	-43.2	174.9	-67	-167.3	-77	-90.4	-6.8	112.3	H341 E344 F375 F593 L636 T637 K638 L643 Y644	H341-R640 HydrophobicContact CB-CB 4.17Å; E344-R640 IonicContact OE1-CZ 3.43Å; E344-R640 IonicContact OE1-NE 2.89Å; E344-R640 IonicContact OE1-NH2 3.88Å; E344-R640 PolarHBondContact OE1-NH2 3.44Å; E344-R640 IonicContact OE2-CZ 2.72Å; E344-R640 IonicContact OE2-NE 3.31Å; E344-R640 PolarHBondContact OE2-NE 3.28Å; E344-R640 IonicContact OE2-NH2 3.22Å; E344-R640 PolarHBondContact OE2-NH2 2.96Å; F375-R640 HydrophobicContact CD1-CG 4.22Å; F375-R640 HydrophobicContact CE1-CB 4.13Å; F375-R640 HydrophobicContact CE1-CG 3.43Å; F375-R640 VanDerWaalsContact CE1-CG 3.43Å; F375-R640 HydrophobicContact CE2-CG 4.29Å; F375-R640 HydrophobicContact CZ-CB 4.28Å; F375-R640 HydrophobicContact CZ-CG 3.49Å; F375-R640 VanDerWaalsContact CZ-CG 3.49Å; F375-R640 PolarHBondContact O-NH1 2.97Å; F593-R640 HydrophobicContact CE2-CG 4.19Å; F593-R640 HydrophobicContact CZ-CG 3.87Å; L636-R640 WeakPolarHBondContact O-CG 3.35Å; L636-R640 PolarHBondContact O-N 3.03Å; T637-R640 PolarHBondContact OG1-NH2 2.75Å; K638-R640 PolarHBondContact O-N 3.41Å; R640-L643 PolarHBondContact O-N 3.25Å; R640-Y644 PolarHBondContact O-N 2.97Å
641	G	97.3	Very high	95	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.3	-40.7	175	0	0	0	0	0	113.3	E339 T637 K638 A639 Y644 H645	E339-G641 WeakPolarHBondContact O-CA 3.37Å; T637-G641 PolarHBondContact O-N 3.43Å; T637-G641 VanDerWaalsContact O-N 3.09Å; K638-G641 PolarHBondContact O-N 3.32Å; A639-G641 PolarHBondContact O-N 3.16Å; G641-Y644 WeakPolarHBondContact O-CB 3.44Å; G641-Y644 PolarHBondContact O-N 3.08Å; G641-H645 PolarHBondContact O-CD2 3.06Å; G641-H645 PolarHBondContact O-N 3.17Å
642	L	97.8	Very high	95	Very high	14 Å²	14	42.1 Å²	42.1	7%	0.073	19%	0.191	C	C	.	.	H	α-helix	trans	-63.6	-42.9	175.1	-73.4	166	0	0	0	112	F596 L599 A600 T603 K638 A639 Y644 H645 F646	F596-L642 HydrophobicContact CD1-CB 4.13Å; L599-L642 HydrophobicContact CB-CD1 4.3Å; L599-L642 HydrophobicContact CD2-CB 4.3Å; L599-L642 HydrophobicContact CD2-CD1 3.89Å; L599-L642 HydrophobicContact CD2-CD2 4.11Å; L599-L642 HydrophobicContact CD2-CG 4.34Å; L599-L642 HydrophobicContact CG-CD1 3.85Å; A600-L642 HydrophobicContact CB-CD1 4.02Å; T603-L642 HydrophobicContact CG2-CD1 4.39Å; T603-L642 HydrophobicContact CG2-CD2 4.44Å; K638-L642 HydrophobicContact CD-CD1 4.29Å; K638-L642 HydrophobicContact CD-CG 4.27Å; K638-L642 HydrophobicContact CG-CD1 3.94Å; K638-L642 HydrophobicContact CG-CG 4.38Å; K638-L642 WeakPolarHBondContact O-CB 3.2Å; K638-L642 VanDerWaalsContact O-CG 3.31Å; K638-L642 WeakPolarHBondContact O-CG 3.31Å; K638-L642 PolarHBondContact O-N 3.33Å; A639-L642 PolarHBondContact O-N 2.88Å; L642-Y644 VanDerWaalsContact C-N 3.33Å; L642-Y644 PolarHBondContact O-N 3.37Å; L642-H645 PolarHBondContact O-N 3.32Å; L642-F646 WeakPolarHBondContact O-CB 3.39Å; L642-F646 PolarHBondContact O-N 2.92Å
643	L	95.6	Very high	94.9	Very high	6 Å²	6	42.8 Å²	42.8	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-44.1	174.3	175.7	61.3	0	0	0	111.4	F375 T590 F593 F596 A639 R640 H645 F646 R647	F375-L643 HydrophobicContact CZ-CD2 4.04Å; T590-L643 HydrophobicContact CG2-CD1 3.65Å; T590-L643 HydrophobicContact CG2-CD2 3.92Å; T590-L643 HydrophobicContact CG2-CG 4.44Å; F593-L643 HydrophobicContact CD2-CD2 4.06Å; F593-L643 HydrophobicContact CE2-CD2 4.42Å; F596-L643 HydrophobicContact CD1-CB 3.94Å; F596-L643 HydrophobicContact CD1-CD1 4.48Å; F596-L643 HydrophobicContact CD2-CD1 4.18Å; F596-L643 HydrophobicContact CE1-CB 4.17Å; F596-L643 HydrophobicContact CE1-CD1 4.07Å; F596-L643 HydrophobicContact CE2-CD1 3.73Å; F596-L643 HydrophobicContact CG-CB 4.17Å; F596-L643 HydrophobicContact CZ-CD1 3.66Å; A639-L643 PolarHBondContact O-N 2.91Å; R640-L643 PolarHBondContact O-N 3.25Å; L643-H645 PolarHBondContact O-N 3.05Å; L643-F646 PolarHBondContact O-N 3.35Å; L643-R647 HydrophobicContact CD1-CG 4.18Å; L643-R647 WeakPolarHBondContact O-CG 3.33Å; L643-R647 PolarHBondContact O-N 3.39Å
644	Y	93.9	Very high	94.7	Very high	47 Å²	47	36.9 Å²	36.9	18%	0.184	18%	0.175	C	C	.	.	H	α-helix	trans	-57.2	-48.2	175.5	179.2	-104.1	0	0	0	112.4	H341 P342 R640 G641 L642 R647 R648	H341-Y644 AromaticContact CD2-CD2 3.85Å; H341-Y644 AromaticContact NE2-CD2 3.68Å; P342-Y644 VanDerWaalsContact CD-CE2 3.49Å; P342-Y644 HydrophobicContact CG-CD2 4.08Å; P342-Y644 HydrophobicContact CG-CE1 4.39Å; P342-Y644 HydrophobicContact CG-CE2 3.5Å; P342-Y644 VanDerWaalsContact CG-CE2 3.5Å; R640-Y644 PolarHBondContact O-N 2.97Å; G641-Y644 WeakPolarHBondContact O-CB 3.44Å; G641-Y644 PolarHBondContact O-N 3.08Å; L642-Y644 VanDerWaalsContact C-N 3.33Å; L642-Y644 PolarHBondContact O-N 3.37Å; Y644-R647 PolarHBondContact O-N 3.33Å; Y644-R648 WeakPolarHBondContact O-CG 3.21Å; Y644-R648 PolarHBondContact O-N 3.17Å; Y644-R648 PolarHBondContact OH-NH1 3.33Å
645	H	94	Very high	94.4	Very high	78 Å²	78	37.9 Å²	37.9	36%	0.361	18%	0.183	S	C	.	.	H	α-helix	trans	-65.4	-42	178.9	-72.1	-53.2	0	0	0	112.1	M338 G641 L642 L643 R647 R648 L649	M338-H645 PolarHBondContact O-CE1 3.24Å; M338-H645 PolarHBondContact O-NE2 2.64Å; G641-H645 PolarHBondContact O-CD2 3.06Å; G641-H645 PolarHBondContact O-N 3.17Å; L642-H645 PolarHBondContact O-N 3.32Å; L643-H645 PolarHBondContact O-N 3.05Å; H645-R647 PolarHBondContact O-N 3.28Å; H645-R648 PolarHBondContact O-N 3.06Å; H645-R648 VanDerWaalsContact O-N 3.11Å; H645-L649 PolarHBondContact O-N 3.03Å
646	F	94.8	Very high	94.1	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	18%	0.183	C	C	.	.	H	α-helix	trans	-56.9	-47	175.8	173.3	-96.9	0	0	0	112	L535 L538 M539 F596 L642 L643 R648 L649 I652 L656 L659	L535-F646 HydrophobicContact CD1-CD2 3.93Å; L535-F646 HydrophobicContact CD1-CE2 4.04Å; L538-F646 HydrophobicContact CD2-CD2 4.09Å; L538-F646 HydrophobicContact CD2-CE2 3.9Å; M539-F646 HydrophobicContact SD-CB 3.89Å; M539-F646 HydrophobicContact SD-CD2 4.18Å; F596-F646 HydrophobicContact CE1-CB 3.72Å; F596-F646 HydrophobicContact CE1-CD1 4.26Å; F596-F646 AromaticContact CE1-CG 3.92Å; F596-F646 HydrophobicContact CE1-CG 3.92Å; F596-F646 HydrophobicContact CZ-CB 4.08Å; F596-F646 AromaticContact CZ-CD1 3.72Å; F596-F646 HydrophobicContact CZ-CD1 3.72Å; F596-F646 HydrophobicContact CZ-CD2 4.37Å; F596-F646 HydrophobicContact CZ-CE1 4.22Å; F596-F646 AromaticContact CZ-CG 3.8Å; F596-F646 HydrophobicContact CZ-CG 3.8Å; L642-F646 WeakPolarHBondContact O-CB 3.39Å; L642-F646 PolarHBondContact O-N 2.92Å; L643-F646 PolarHBondContact O-N 3.35Å; F646-R648 PolarHBondContact O-N 3.36Å; F646-R648 VanDerWaalsContact O-N 3.16Å; F646-L649 HydrophobicContact CD2-CD1 4.13Å; F646-L649 WeakPolarHBondContact O-CB 3.02Å; F646-L649 WeakPolarHBondContact O-CG 3.36Å; F646-L649 PolarHBondContact O-N 2.89Å; F646-L649 VanDerWaalsContact O-N 3.15Å; F646-I652 HydrophobicContact CD1-CD1 4.37Å; F646-I652 HydrophobicContact CE1-CD1 3.84Å; F646-I652 HydrophobicContact CE2-CD1 4Å; F646-I652 HydrophobicContact CE2-CG1 4.42Å; F646-I652 HydrophobicContact CE2-CG2 4.15Å; F646-I652 HydrophobicContact CZ-CD1 3.64Å; F646-I652 HydrophobicContact CZ-CG1 4.44Å; F646-I652 HydrophobicContact CZ-CG2 3.97Å; F646-L656 HydrophobicContact CE2-CD1 4.28Å; F646-L656 HydrophobicContact CZ-CB 4.41Å; F646-L659 HydrophobicContact CE1-CB 3.91Å; F646-L659 HydrophobicContact CE2-CD1 4.45Å; F646-L659 HydrophobicContact CZ-CB 3.84Å; F646-L659 HydrophobicContact CZ-CD1 4.12Å
647	R	90.4	Very high	93.6	Very high	34 Å²	34	39.5 Å²	39.5	13%	0.128	19%	0.191	C	C	.	.	H	α-helix	trans	-64.9	-17.9	179.2	-70.8	177.2	66.5	80.6	-0.1	113.6	G589 L643 Y644 H645 F662 D669 I671	G589-R647 PolarHBondContact O-NH1 3.33Å; L643-R647 HydrophobicContact CD1-CG 4.18Å; L643-R647 WeakPolarHBondContact O-CG 3.33Å; L643-R647 PolarHBondContact O-N 3.39Å; Y644-R647 PolarHBondContact O-N 3.33Å; H645-R647 PolarHBondContact O-N 3.28Å; R647-F662 VanDerWaalsContact NH1-CD1 3.31Å; R647-D669 IonicContact CZ-OD2 3.68Å; R647-D669 IonicContact NE-OD2 3.82Å; R647-D669 IonicContact NH2-OD2 2.81Å; R647-D669 PolarHBondContact NH2-OD2 2.75Å; R647-I671 WeakPolarHBondContact O-CG2 3.22Å
648	R	90.6	Very high	93	Very high	151 Å²	151	40 Å²	40	57%	0.57	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	1	179	-68.6	-175	65.5	136.3	9.9	114	Y644 H645 F646	Y644-R648 WeakPolarHBondContact O-CG 3.21Å; Y644-R648 PolarHBondContact O-N 3.17Å; Y644-R648 PolarHBondContact OH-NH1 3.33Å; H645-R648 PolarHBondContact O-N 3.06Å; H645-R648 VanDerWaalsContact O-N 3.11Å; F646-R648 PolarHBondContact O-N 3.36Å; F646-R648 VanDerWaalsContact O-N 3.16Å
649	L	92.5	Very high	92.6	Very high	49 Å²	49	39 Å²	39	26%	0.257	19%	0.192	S	C	.	.			trans	-64.9	135.7	172.9	-65.9	174.7	0	0	0	109.7	L538 M539 H645 F646 T651 I652 P674	L538-L649 HydrophobicContact CD1-CD1 4.26Å; L538-L649 HydrophobicContact CD2-CD1 3.61Å; L538-L649 HydrophobicContact CG-CD1 3.96Å; M539-L649 HydrophobicContact CE-CD1 3.97Å; M539-L649 HydrophobicContact CE-CD2 4.24Å; M539-L649 HydrophobicContact SD-CD1 4.22Å; H645-L649 PolarHBondContact O-N 3.03Å; F646-L649 HydrophobicContact CD2-CD1 4.13Å; F646-L649 WeakPolarHBondContact O-CB 3.02Å; F646-L649 WeakPolarHBondContact O-CG 3.36Å; F646-L649 PolarHBondContact O-N 2.89Å; F646-L649 VanDerWaalsContact O-N 3.15Å; L649-T651 PolarHBondContact O-N 3.46Å; L649-I652 HydrophobicContact CB-CG1 4.19Å; L649-P674 WeakPolarHBondContact O-CB 3.24Å
650	E	91	Very high	91.9	Very high	175 Å²	175	40.5 Å²	40.5	82%	0.818	20%	0.202	S	C	*	.	S	Bend	trans	-66.4	-31.5	177.5	-64.5	-178.8	176.6	0	0	112	R675	E650-R675 PolarHBondContact O-N 3.2Å
651	T	91.8	Very high	90.7	Very high	78 Å²	78	45.1 Å²	45.1	48%	0.479	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	139.9	-179.2	57.4	0	0	0	0	111.1	L649 R675 V677	L649-T651 PolarHBondContact O-N 3.46Å; T651-R675 VanDerWaalsContact CA-O 3.25Å; T651-R675 WeakPolarHBondContact CA-O 3.39Å; T651-R675 HydrophobicContact CG2-CB 4.33Å; T651-V677 HydrophobicContact CG2-CG2 4.28Å
652	I	92.8	Very high	89.4	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.3	176.2	-65	179.4	0	0	0	109.1	F646 L649 L656 P674 R675 I676 V677	F646-I652 HydrophobicContact CD1-CD1 4.37Å; F646-I652 HydrophobicContact CE1-CD1 3.84Å; F646-I652 HydrophobicContact CE2-CD1 4Å; F646-I652 HydrophobicContact CE2-CG1 4.42Å; F646-I652 HydrophobicContact CE2-CG2 4.15Å; F646-I652 HydrophobicContact CZ-CD1 3.64Å; F646-I652 HydrophobicContact CZ-CG1 4.44Å; F646-I652 HydrophobicContact CZ-CG2 3.97Å; L649-I652 HydrophobicContact CB-CG1 4.19Å; I652-L656 HydrophobicContact CG2-CB 3.83Å; I652-P674 HydrophobicContact CB-CB 4.35Å; I652-P674 HydrophobicContact CD1-CB 3.62Å; I652-P674 HydrophobicContact CD1-CG 3.41Å; I652-P674 VanDerWaalsContact CD1-CG 3.41Å; I652-P674 HydrophobicContact CG1-CB 3.74Å; I652-P674 HydrophobicContact CG1-CG 4.06Å; I652-R675 PolarHBondContact N-O 2.96Å; I652-I676 HydrophobicContact CB-CD1 3.99Å; I652-I676 HydrophobicContact CG2-CD1 4.34Å; I652-I676 WeakPolarHBondContact O-CA 3.5Å; I652-V677 PolarHBondContact O-N 3.39Å
653	P	92.8	Very high	87.4	Confident	26 Å²	26	54.4 Å²	54.4	17%	0.169	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	139.5	172.6	-28.1	36.5	0	0	0	112.6	T655 L656 V677 T679	P653-T655 PolarHBondContact O-N 3.07Å; P653-L656 HydrophobicContact CG-CD1 4.42Å; P653-L656 PolarHBondContact O-N 3.32Å; P653-V677 CarbonylContact C-O 3.53Å; P653-V677 WeakPolarHBondContact CA-O 3.21Å; P653-T679 HydrophobicContact CB-CG2 3.86Å; P653-T679 HydrophobicContact CG-CG2 4.22Å
654	C	90.5	Very high	85.4	Confident	16 Å²	16	55.3 Å²	55.3	11%	0.108	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-55.3	-28.6	176.5	65.8	0	0	0	0	113.6	L656 M657 I676 V677 H682 C688 Y690	C654-L656 PolarHBondContact O-N 3.16Å; C654-M657 VanDerWaalsContact O-CB 3.24Å; C654-M657 WeakPolarHBondContact O-CB 3.36Å; C654-M657 PolarHBondContact O-N 3.39Å; C654-M657 VanDerWaalsContact O-N 3.17Å; C654-I676 HydrophobicContact CB-CG2 3.93Å; C654-V677 PolarHBondContact N-O 2.95Å; C654-H682 PolarHBondContact SG-NE2 3.31Å; C654-H682 VanDerWaalsContact SG-NE2 3.41Å; C654-C688 VanDerWaalsContact SG-SG 3.65Å; C654-Y690 HydrophobicContact CB-CD2 3.69Å; C654-Y690 HydrophobicContact CB-CG 4.12Å
655	T	89.4	Confident	83.1	Confident	51 Å²	51	57.7 Å²	57.7	31%	0.313	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-63.4	-21.2	175.9	55.5	0	0	0	0	113.1	L531 P653 H682	L531-T655 WeakPolarHBondContact CD2-O 3.31Å; P653-T655 PolarHBondContact O-N 3.07Å; T655-H682 HydrophobicContact CG2-CB 3.92Å
656	L	91.7	Very high	80.9	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-106.4	8.6	179.6	-65.4	172.3	0	0	0	112.7	L531 A534 L535 L538 F646 I652 P653 C654 A658 L659	L531-L656 HydrophobicContact CD2-CD2 4.19Å; A534-L656 HydrophobicContact CB-CD1 4.42Å; A534-L656 HydrophobicContact CB-CD2 3.71Å; A534-L656 HydrophobicContact CB-CG 4.04Å; L535-L656 HydrophobicContact CB-CD2 4.12Å; L538-L656 HydrophobicContact CB-CD1 4.22Å; L538-L656 HydrophobicContact CD2-CD1 3.65Å; F646-L656 HydrophobicContact CE2-CD1 4.28Å; F646-L656 HydrophobicContact CZ-CB 4.41Å; I652-L656 HydrophobicContact CG2-CB 3.83Å; P653-L656 HydrophobicContact CG-CD1 4.42Å; P653-L656 PolarHBondContact O-N 3.32Å; C654-L656 PolarHBondContact O-N 3.16Å; L656-A658 PolarHBondContact O-N 2.98Å; L656-L659 HydrophobicContact CB-CD1 4.36Å; L656-L659 HydrophobicContact CB-CG 4.49Å; L656-L659 HydrophobicContact CD2-CD1 3.67Å; L656-L659 HydrophobicContact CD2-CG 4.3Å; L656-L659 WeakPolarHBondContact O-CB 3.27Å; L656-L659 PolarHBondContact O-N 3.19Å
657	M	87.3	Confident	78.4	Confident	49 Å²	49	59 Å²	59	24%	0.241	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-52	-41.8	179.6	165.1	160.5	-76.1	0	0	112.8	C654 L659 C660 I676 Y690	C654-M657 VanDerWaalsContact O-CB 3.24Å; C654-M657 WeakPolarHBondContact O-CB 3.36Å; C654-M657 PolarHBondContact O-N 3.39Å; C654-M657 VanDerWaalsContact O-N 3.17Å; M657-L659 PolarHBondContact O-N 3.46Å; M657-L659 VanDerWaalsContact O-N 3.12Å; M657-C660 VanDerWaalsContact O-CB 3.27Å; M657-C660 WeakPolarHBondContact O-CB 3.37Å; M657-C660 PolarHBondContact O-N 3.02Å; M657-I676 HydrophobicContact CE-CB 3.88Å; M657-I676 HydrophobicContact CE-CD1 4.25Å; M657-I676 HydrophobicContact CE-CG1 3.55Å; M657-I676 HydrophobicContact CE-CG2 3.61Å; M657-Y690 HydrophobicContact CE-CD2 4.28Å; M657-Y690 HydrophobicContact CE-CE1 3.74Å; M657-Y690 HydrophobicContact CE-CE2 3.35Å; M657-Y690 WeakPolarHBondContact CE-OH 3.29Å; M657-Y690 HydrophobicContact SD-CE2 3.57Å; M657-Y690 VanDerWaalsContact SD-CE2 3.57Å; M657-Y690 PolarHBondContact SD-OH 3.13Å
658	A	84.9	Confident	76.2	Confident	29 Å²	29	67.4 Å²	67.4	24%	0.24	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-59.5	-26.5	-178.7	0	0	0	0	0	112.9	Y592 L656 C660 D661	Y592-A658 WeakPolarHBondContact CD2-O 3.38Å; Y592-A658 HydrophobicContact CE1-CB 4.47Å; Y592-A658 HydrophobicContact CE2-CB 3.97Å; Y592-A658 WeakPolarHBondContact CE2-O 3.38Å; L656-A658 PolarHBondContact O-N 2.98Å; A658-C660 PolarHBondContact O-N 3.32Å; A658-D661 PolarHBondContact O-N 3.01Å
659	L	88.7	Confident	74.4	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.005	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-72.6	-19.5	177.4	-50.8	-169.5	0	0	0	112.7	L531 L535 T590 Y592 L595 F596 F646 L656 M657	L531-L659 HydrophobicContact CD1-CD2 4.37Å; L531-L659 HydrophobicContact CD2-CD2 4.49Å; L535-L659 HydrophobicContact CD1-CD1 3.97Å; L535-L659 HydrophobicContact CD2-CD1 4.29Å; L535-L659 HydrophobicContact CG-CD1 4.49Å; T590-L659 WeakPolarHBondContact CB-O 3.4Å; T590-L659 PolarHBondContact OG1-O 3.5Å; Y592-L659 HydrophobicContact CD1-CD2 3.64Å; Y592-L659 HydrophobicContact CD2-CD2 3.89Å; Y592-L659 HydrophobicContact CE1-CD2 4.34Å; Y592-L659 HydrophobicContact CG-CD2 3.37Å; L595-L659 HydrophobicContact CD1-CD2 3.8Å; F596-L659 HydrophobicContact CE2-CD1 4.36Å; F596-L659 HydrophobicContact CZ-CD1 4.38Å; F646-L659 HydrophobicContact CE1-CB 3.91Å; F646-L659 HydrophobicContact CE2-CD1 4.45Å; F646-L659 HydrophobicContact CZ-CB 3.84Å; F646-L659 HydrophobicContact CZ-CD1 4.12Å; L656-L659 HydrophobicContact CB-CD1 4.36Å; L656-L659 HydrophobicContact CB-CG 4.49Å; L656-L659 HydrophobicContact CD2-CD1 3.67Å; L656-L659 HydrophobicContact CD2-CG 4.3Å; L656-L659 WeakPolarHBondContact O-CB 3.27Å; L656-L659 PolarHBondContact O-N 3.19Å; M657-L659 PolarHBondContact O-N 3.46Å; M657-L659 VanDerWaalsContact O-N 3.12Å
660	C	84.9	Confident	72.5	Confident	31 Å²	31	65.6 Å²	65.6	21%	0.209	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-82.4	-17	178.1	-57.9	0	0	0	0	112.8	M657 A658 F662	M657-C660 VanDerWaalsContact O-CB 3.27Å; M657-C660 WeakPolarHBondContact O-CB 3.37Å; M657-C660 PolarHBondContact O-N 3.02Å; A658-C660 PolarHBondContact O-N 3.32Å; C660-F662 WeakPolarHBondContact O-CD1 3.43Å
661	D	72.7	Confident	71.1	Confident	109 Å²	109	59.8 Å²	59.8	58%	0.583	34%	0.341	S	S	*	.			trans	-78.8	125.3	178.5	-71.3	-18.4	0	0	0	110.1	A658	A658-D661 PolarHBondContact O-N 3.01Å
662	F	69.1	Low	69.8	Low	48 Å²	48	60.7 Å²	60.7	21%	0.211	35%	0.35	C	S	.	.			trans	-144.6	135.7	173.1	64.6	-68.9	0	0	0	109.7	R647 C660 T664	R647-F662 VanDerWaalsContact NH1-CD1 3.31Å; C660-F662 WeakPolarHBondContact O-CD1 3.43Å; F662-T664 VanDerWaalsContact C-N 3.26Å; F662-T664 WeakPolarHBondContact CD2-O 3.47Å; F662-T664 WeakPolarHBondContact CE2-O 3.23Å; F662-T664 PolarHBondContact O-N 3.38Å
663	Q	56.3	Low	68.8	Low	162 Å²	162	69.5 Å²	69.5	76%	0.757	39%	0.391	S	S	*	.	S	Bend	trans	-70.1	-26.1	-174.5	-68.8	175.2	-15	0	0	112.3	S665	Q663-S665 VanDerWaalsContact C-N 3.35Å; Q663-S665 PolarHBondContact O-N 2.63Å
664	T	52.8	Low	68.4	Low	25 Å²	25	69.6 Å²	69.6	15%	0.153	39%	0.392	C	S	.	.			trans	-92.5	63.2	-179	62.8	0	0	0	0	110.5	F662 S666	F662-T664 VanDerWaalsContact C-N 3.26Å; F662-T664 WeakPolarHBondContact CD2-O 3.47Å; F662-T664 WeakPolarHBondContact CE2-O 3.23Å; F662-T664 PolarHBondContact O-N 3.38Å; T664-S666 PolarHBondContact O-N 3.45Å
665	S	47.2	Very low	68.2	Low	97 Å²	97	75.8 Å²	75.8	68%	0.678	41%	0.413	S	S	*	.			trans	-64.4	85.1	171	176.5	0	0	0	0	109.4	Q663 A667	Q663-S665 VanDerWaalsContact C-N 3.35Å; Q663-S665 PolarHBondContact O-N 2.63Å; S665-A667 PolarHBondContact O-N 3.04Å
666	S	47.1	Very low	68.2	Low	9 Å²	9	74.9 Å²	74.9	6%	0.063	41%	0.406	C	S	.	.			trans	-59.9	122.5	168.6	-176.4	0	0	0	0	107.8	E368 T664 W668 D669	E368-S666 VanDerWaalsContact OE1-CB 3.22Å; E368-S666 WeakPolarHBondContact OE1-CB 3.22Å; E368-S666 PolarHBondContact OE1-OG 2.87Å; T664-S666 PolarHBondContact O-N 3.45Å; S666-W668 PolarHBondContact O-N 3.4Å; S666-W668 PolarHBondContact OG-N 2.98Å; S666-D669 PolarHBondContact O-N 3.21Å
667	A	42.1	Very low	68.2	Low	97 Å²	97	77.3 Å²	77.3	80%	0.802	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-1.7	170.8	0	0	0	0	0	113.1	S665	S665-A667 PolarHBondContact O-N 3.04Å
668	W	44.1	Very low	68.4	Low	210 Å²	210	75.9 Å²	75.9	80%	0.795	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-8.3	-177.4	-57.9	99.8	0	0	0	114.6	S666 S670	S666-W668 PolarHBondContact O-N 3.4Å; S666-W668 PolarHBondContact OG-N 2.98Å; W668-S670 PolarHBondContact O-N 3.25Å; W668-S670 PolarHBondContact O-OG 3.19Å
669	D	53.3	Low	68.5	Low	44 Å²	44	77.7 Å²	77.7	24%	0.235	42%	0.423	C	S	.	.			trans	-70.9	85.8	168.6	-100.4	13.7	0	0	0	107.9	R647 S666 I671	R647-D669 IonicContact CZ-OD2 3.68Å; R647-D669 IonicContact NE-OD2 3.82Å; R647-D669 IonicContact NH2-OD2 2.81Å; R647-D669 PolarHBondContact NH2-OD2 2.75Å; S666-D669 PolarHBondContact O-N 3.21Å; D669-I671 PolarHBondContact O-N 3.35Å
670	S	53.3	Low	68.3	Low	119 Å²	119	79.8 Å²	79.8	83%	0.832	45%	0.445	S	S	*	.			trans	-68.4	18.3	175.2	-54.1	0	0	0	0	112.6	W668 S672	W668-S670 PolarHBondContact O-N 3.25Å; W668-S670 PolarHBondContact O-OG 3.19Å; S670-S672 PolarHBondContact O-N 3.47Å
671	I	61.4	Low	68.1	Low	52 Å²	52	83.2 Å²	83.2	27%	0.267	47%	0.465	S	S	.	.			trans	-79	114.6	-178.4	-58.1	174.3	0	0	0	106.4	R647 D669 Q673	R647-I671 WeakPolarHBondContact O-CG2 3.22Å; D669-I671 PolarHBondContact O-N 3.35Å; I671-Q673 PolarHBondContact O-N 3.41Å
672	S	64.2	Low	68.6	Low	98 Å²	98	80.1 Å²	80.1	69%	0.685	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-50.4	127.1	172.1	51.1	0	0	0	0	109.7	S670	S670-S672 PolarHBondContact O-N 3.47Å
673	Q	71.8	Confident	69.1	Low	187 Å²	187	84.6 Å²	84.6	87%	0.874	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-58.5	129.1	175.9	-73.7	-175.2	-12	0	0	109.6	I671	I671-Q673 PolarHBondContact O-N 3.41Å
674	P	83.8	Confident	70.2	Confident	28 Å²	28	81.3 Å²	81.3	18%	0.182	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-63.4	142.8	179.9	25.2	-32.9	0	0	0	110.1	L649 I652 I676	L649-P674 WeakPolarHBondContact O-CB 3.24Å; I652-P674 HydrophobicContact CB-CB 4.35Å; I652-P674 HydrophobicContact CD1-CB 3.62Å; I652-P674 HydrophobicContact CD1-CG 3.41Å; I652-P674 VanDerWaalsContact CD1-CG 3.41Å; I652-P674 HydrophobicContact CG1-CB 3.74Å; I652-P674 HydrophobicContact CG1-CG 4.06Å; P674-I676 HydrophobicContact CG-CD1 4.49Å; P674-I676 PolarHBondContact O-N 2.89Å
675	R	87.2	Confident	71.5	Confident	145 Å²	145	80.7 Å²	80.7	55%	0.547	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	123.6	171.8	179.7	-179.3	174.2	-174.2	-1	108.9	E650 T651 I652 V677 E692	E650-R675 PolarHBondContact O-N 3.2Å; T651-R675 VanDerWaalsContact CA-O 3.25Å; T651-R675 WeakPolarHBondContact CA-O 3.39Å; T651-R675 HydrophobicContact CG2-CB 4.33Å; I652-R675 PolarHBondContact N-O 2.96Å; R675-V677 HydrophobicContact CG-CG2 4.09Å; R675-E692 IonicContact CZ-OE1 3.74Å; R675-E692 IonicContact NH2-OE1 2.63Å; R675-E692 PolarHBondContact NH2-OE1 3.17Å; R675-E692 IonicContact NH2-OE2 3.85Å
676	I	89.5	Confident	73.1	Confident	33 Å²	33	84.2 Å²	84.2	17%	0.169	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	128.7	177	-49.6	-63.9	0	0	0	109.9	I652 C654 M657 P674 Y690	I652-I676 HydrophobicContact CB-CD1 3.99Å; I652-I676 HydrophobicContact CG2-CD1 4.34Å; I652-I676 WeakPolarHBondContact O-CA 3.5Å; C654-I676 HydrophobicContact CB-CG2 3.93Å; M657-I676 HydrophobicContact CE-CB 3.88Å; M657-I676 HydrophobicContact CE-CD1 4.25Å; M657-I676 HydrophobicContact CE-CG1 3.55Å; M657-I676 HydrophobicContact CE-CG2 3.61Å; P674-I676 HydrophobicContact CG-CD1 4.49Å; P674-I676 PolarHBondContact O-N 2.89Å; I676-Y690 HydrophobicContact CB-CD1 3.87Å; I676-Y690 HydrophobicContact CB-CE1 3.98Å; I676-Y690 HydrophobicContact CB-CG 4.39Å; I676-Y690 HydrophobicContact CG2-CD1 3.87Å; I676-Y690 HydrophobicContact CG2-CD2 4.09Å; I676-Y690 HydrophobicContact CG2-CE1 4.15Å; I676-Y690 HydrophobicContact CG2-CE2 4.36Å; I676-Y690 HydrophobicContact CG2-CG 3.88Å
677	V	91.2	Very high	74.9	Confident	51 Å²	51	88.8 Å²	88.8	31%	0.309	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	132.8	-175.3	-177.4	0	0	0	0	110.3	T651 I652 P653 C654 R675	T651-V677 HydrophobicContact CG2-CG2 4.28Å; I652-V677 PolarHBondContact O-N 3.39Å; P653-V677 CarbonylContact C-O 3.53Å; P653-V677 WeakPolarHBondContact CA-O 3.21Å; C654-V677 PolarHBondContact N-O 2.95Å; R675-V677 HydrophobicContact CG-CG2 4.09Å
678	C	90.8	Very high	76.9	Confident	18 Å²	18	84.7 Å²	84.7	12%	0.122	46%	0.463	C	S	.	.			trans	-74.6	131.9	171.7	-175.4	0	0	0	0	111.2	G680 Y690 N691	C678-G680 PolarHBondContact SG-N 3.26Å; C678-Y690 VanDerWaalsContact CB-C 3.42Å; C678-Y690 WeakPolarHBondContact CB-O 3.33Å; C678-Y690 PolarHBondContact N-O 2.63Å; C678-N691 HydrophobicContact CB-CB 4.01Å
679	T	86.7	Confident	78.8	Confident	67 Å²	67	80.2 Å²	80.2	41%	0.411	46%	0.461	S	S	.	.			trans	-86.5	-11.9	176.3	60.9	0	0	0	0	113.1	P653 T681	P653-T679 HydrophobicContact CB-CG2 3.86Å; P653-T679 HydrophobicContact CG-CG2 4.22Å; T679-T681 PolarHBondContact O-N 2.89Å; T679-T681 PolarHBondContact OG1-OG1 3.1Å
680	G	84.8	Confident	80.3	Confident	45 Å²	45	82.2 Å²	82.2	46%	0.464	47%	0.466	S	S	.	.	S	Bend	trans	72.7	3.9	-176.8	0	0	0	0	0	115.1	C678	C678-G680 PolarHBondContact SG-N 3.26Å
681	T	81.9	Confident	81.8	Confident	103 Å²	103	78.4 Å²	78.4	63%	0.632	44%	0.436	S	S	*	.			trans	-105	2.4	-169.1	57.5	0	0	0	0	115.1	T679	T679-T681 PolarHBondContact O-N 2.89Å; T679-T681 PolarHBondContact OG1-OG1 3.1Å
682	H	82.7	Confident	82.4	Confident	44 Å²	44	82.3 Å²	82.3	20%	0.204	45%	0.453	C	S	.	.	S	Bend	trans	-104.8	156.8	-179.3	65.7	94	0	0	0	111.4	C654 T655 M684 A685	C654-H682 PolarHBondContact SG-NE2 3.31Å; C654-H682 VanDerWaalsContact SG-NE2 3.41Å; T655-H682 HydrophobicContact CG2-CB 3.92Å; H682-M684 PolarHBondContact CE1-O 3.11Å; H682-M684 PolarHBondContact O-N 3.15Å; H682-A685 VanDerWaalsContact CE1-CA 3.5Å; H682-A685 WeakPolarHBondContact CE1-CA 3.38Å; H682-A685 PolarHBondContact CE1-N 3.28Å; H682-A685 PolarHBondContact ND1-N 3.45Å; H682-A685 VanDerWaalsContact O-CB 3.31Å; H682-A685 WeakPolarHBondContact O-CB 3.44Å; H682-A685 PolarHBondContact O-N 3.36Å
683	P	79.4	Confident	82.4	Confident	142 Å²	142	82.1 Å²	82.1	92%	0.922	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-22.5	-171.7	-28	35.3	0	0	0	116
684	M	78.6	Confident	81.7	Confident	93 Å²	93	75.5 Å²	75.5	46%	0.458	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	27.9	179.8	-55.2	-165.6	87.9	0	0	112.8	R520 H682 E686 T687 C688	R520-M684 PolarHBondContact NH2-SD 2.85Å; H682-M684 PolarHBondContact CE1-O 3.11Å; H682-M684 PolarHBondContact O-N 3.15Å; M684-E686 VanDerWaalsContact C-N 3.26Å; M684-E686 PolarHBondContact O-N 3.35Å; M684-T687 PolarHBondContact O-N 3.34Å; M684-T687 PolarHBondContact O-OG1 3.24Å; M684-C688 PolarHBondContact O-N 2.72Å; M684-C688 VanDerWaalsContact O-N 3.11Å
685	A	81	Confident	80.2	Confident	12 Å²	12	77.3 Å²	77.3	10%	0.099	45%	0.452	C	S	.	.	S	Bend	trans	-58.9	-36.9	-178.9	0	0	0	0	0	113	H682 T687 C688 N691	H682-A685 VanDerWaalsContact CE1-CA 3.5Å; H682-A685 WeakPolarHBondContact CE1-CA 3.38Å; H682-A685 PolarHBondContact CE1-N 3.28Å; H682-A685 PolarHBondContact ND1-N 3.45Å; H682-A685 VanDerWaalsContact O-CB 3.31Å; H682-A685 WeakPolarHBondContact O-CB 3.44Å; H682-A685 PolarHBondContact O-N 3.36Å; A685-T687 VanDerWaalsContact C-N 3.31Å; A685-T687 PolarHBondContact O-N 3.3Å; A685-C688 WeakPolarHBondContact O-CB 3.41Å; A685-C688 PolarHBondContact O-N 3.15Å; A685-N691 WeakPolarHBondContact O-CB 2.94Å; A685-N691 PolarHBondContact O-ND2 2.99Å
686	E	80.6	Confident	78.4	Confident	172 Å²	172	76.4 Å²	76.4	80%	0.804	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-32.8	-179.1	-64.1	-177.4	176.5	0	0	113	M684 A694	M684-E686 VanDerWaalsContact C-N 3.26Å; M684-E686 PolarHBondContact O-N 3.35Å; E686-A694 WeakPolarHBondContact O-CB 3.16Å
687	T	84.8	Confident	76.1	Confident	104 Å²	104	87.6 Å²	87.6	64%	0.638	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	9.7	178.7	55.4	0	0	0	0	112.8	M684 A685	M684-T687 PolarHBondContact O-N 3.34Å; M684-T687 PolarHBondContact O-OG1 3.24Å; A685-T687 VanDerWaalsContact C-N 3.31Å; A685-T687 PolarHBondContact O-N 3.3Å
688	C	83.1	Confident	75.3	Confident	12 Å²	12	89.4 Å²	89.4	8%	0.081	53%	0.527	C	S	.	.			trans	-71.2	126.7	-178.5	-176.4	0	0	0	0	110.3	C654 M684 A685 Y690 N691	C654-C688 VanDerWaalsContact SG-SG 3.65Å; M684-C688 PolarHBondContact O-N 2.72Å; M684-C688 VanDerWaalsContact O-N 3.11Å; A685-C688 WeakPolarHBondContact O-CB 3.41Å; A685-C688 PolarHBondContact O-N 3.15Å; C688-Y690 PolarHBondContact O-N 3.31Å; C688-N691 HydrophobicContact CB-CB 4.07Å; C688-N691 WeakPolarHBondContact O-CB 3.3Å; C688-N691 PolarHBondContact O-N 3.3Å
689	P	85.2	Confident	74.5	Confident	115 Å²	115	93.2 Å²	93.2	75%	0.747	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-13.9	179.6	24.8	-33.3	0	0	0	113.8
690	Y	85.4	Confident	73.8	Confident	87 Å²	87	94.6 Å²	94.6	34%	0.341	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.5	4	177.1	-54.7	-76.1	0	0	0	113.3	C654 M657 I676 C678 C688 E692	C654-Y690 HydrophobicContact CB-CD2 3.69Å; C654-Y690 HydrophobicContact CB-CG 4.12Å; M657-Y690 HydrophobicContact CE-CD2 4.28Å; M657-Y690 HydrophobicContact CE-CE1 3.74Å; M657-Y690 HydrophobicContact CE-CE2 3.35Å; M657-Y690 WeakPolarHBondContact CE-OH 3.29Å; M657-Y690 HydrophobicContact SD-CE2 3.57Å; M657-Y690 VanDerWaalsContact SD-CE2 3.57Å; M657-Y690 PolarHBondContact SD-OH 3.13Å; I676-Y690 HydrophobicContact CB-CD1 3.87Å; I676-Y690 HydrophobicContact CB-CE1 3.98Å; I676-Y690 HydrophobicContact CB-CG 4.39Å; I676-Y690 HydrophobicContact CG2-CD1 3.87Å; I676-Y690 HydrophobicContact CG2-CD2 4.09Å; I676-Y690 HydrophobicContact CG2-CE1 4.15Å; I676-Y690 HydrophobicContact CG2-CE2 4.36Å; I676-Y690 HydrophobicContact CG2-CG 3.88Å; C678-Y690 VanDerWaalsContact CB-C 3.42Å; C678-Y690 WeakPolarHBondContact CB-O 3.33Å; C678-Y690 PolarHBondContact N-O 2.63Å; C688-Y690 PolarHBondContact O-N 3.31Å; Y690-E692 PolarHBondContact O-N 3.22Å
691	N	83.6	Confident	73.2	Confident	38 Å²	38	97.5 Å²	97.5	20%	0.203	56%	0.561	C	S	.	*			trans	-83.5	99.9	176.9	-172.9	4.1	0	0	0	109.7	C678 A685 C688 A693 A694	C678-N691 HydrophobicContact CB-CB 4.01Å; A685-N691 WeakPolarHBondContact O-CB 2.94Å; A685-N691 PolarHBondContact O-ND2 2.99Å; C688-N691 HydrophobicContact CB-CB 4.07Å; C688-N691 WeakPolarHBondContact O-CB 3.3Å; C688-N691 PolarHBondContact O-N 3.3Å; N691-A693 PolarHBondContact O-N 3.42Å; N691-A693 VanDerWaalsContact O-N 3.17Å; N691-A693 WeakPolarHBondContact OD1-CB 3.39Å; N691-A693 PolarHBondContact OD1-N 2.93Å; N691-A693 VanDerWaalsContact OD1-N 3.15Å; N691-A694 HydrophobicContact CB-CB 3.94Å; N691-A694 WeakPolarHBondContact O-CB 3.48Å; N691-A694 PolarHBondContact O-N 3.05Å
692	E	75.2	Confident	72.6	Confident	135 Å²	135	97.2 Å²	97.2	63%	0.631	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-60.7	-24.1	178.3	-65.9	-178.7	-178.1	0	0	112.5	R675 Y690 A694	R675-E692 IonicContact CZ-OE1 3.74Å; R675-E692 IonicContact NH2-OE1 2.63Å; R675-E692 PolarHBondContact NH2-OE1 3.17Å; R675-E692 IonicContact NH2-OE2 3.85Å; Y690-E692 PolarHBondContact O-N 3.22Å; E692-A694 VanDerWaalsContact C-N 3.31Å
693	A	63.9	Low	72	Confident	93 Å²	93	100.7 Å²	100.7	77%	0.769	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-77.2	-14.7	174.5	0	0	0	0	0	113.7	N691	N691-A693 PolarHBondContact O-N 3.42Å; N691-A693 VanDerWaalsContact O-N 3.17Å; N691-A693 WeakPolarHBondContact OD1-CB 3.39Å; N691-A693 PolarHBondContact OD1-N 2.93Å; N691-A693 VanDerWaalsContact OD1-N 3.15Å
694	A	55.8	Low	71.4	Confident	49 Å²	49	97.8 Å²	97.8	41%	0.405	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-95.4	-4.4	177.4	0	0	0	0	0	113.2	E686 N691 E692	E686-A694 WeakPolarHBondContact O-CB 3.16Å; N691-A694 HydrophobicContact CB-CB 3.94Å; N691-A694 WeakPolarHBondContact O-CB 3.48Å; N691-A694 PolarHBondContact O-N 3.05Å; E692-A694 VanDerWaalsContact C-N 3.31Å
695	A	52.3	Low	70.9	Confident	65 Å²	65	98.2 Å²	98.2	54%	0.537	56%	0.564	S	S	.	*	S	Bend	trans	-66.4	128.1	172.6	0	0	0	0	0	109.5	Q697	A695-Q697 PolarHBondContact O-N 3.32Å
696	P	50.5	Low	70.1	Confident	127 Å²	127	105.3 Å²	105.3	83%	0.825	60%	0.602	S	S	*	*			trans	-62	130.1	175.5	24.7	-30.1	0	0	0	109.2
697	Q	40.3	Very low	69.1	Low	267 Å²	267	99.3 Å²	99.3	100%	1.248	58%	0.584	S	S	*	*			trans	-60.6	0	173.2	-76.5	-171.5	-10.5	0	0	112.5	A695	A695-Q697 PolarHBondContact O-N 3.32Å

Retrieved 697 of 697 residues in 419.9 ms (Link to these results)

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