A0A077ZIR6_TRITR Loading...

DNA 3'-5' helicase

AlphaFold DB , UniProt , Accession A0A077ZIR6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 690 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.4	Very low	33.9	Very low	229 Å²	229	168.6 Å²	168.6	100%	1.128	84%	0.837	S	S	*	*				0	91.6	0	-72.6	172.5	-178.4	0	0	108.7
2	R	34.1	Very low	33.1	Very low	249 Å²	249	174.3 Å²	174.3	94%	0.94	84%	0.842	S	S	*	*			trans	-101.7	106.9	172	-82.4	-175.9	176.1	-178.5	-1.1	107	C4	R2-C4 PolarHBondContact O-N 3Å
3	F	36.8	Very low	32.8	Very low	198 Å²	198	173.6 Å²	173.6	87%	0.868	84%	0.843	S	S	*	*			trans	-77.7	108	173	-86.4	-89.1	0	0	0	108.7	Y5	F3-Y5 PolarHBondContact O-N 2.84Å
4	C	36.3	Very low	32.3	Very low	119 Å²	119	168.1 Å²	168.1	80%	0.804	83%	0.832	S	S	*	*			trans	-74.5	112.3	164.9	-69.3	0	0	0	0	108.4	R2 N6	R2-C4 PolarHBondContact O-N 3Å; C4-N6 PolarHBondContact O-N 3.17Å
5	Y	38.5	Very low	32.2	Very low	213 Å²	213	168.2 Å²	168.2	84%	0.835	84%	0.836	S	S	*	*			trans	-80.4	100.2	171.4	-162.4	-94.8	0	0	0	108.1	F3 P7	F3-Y5 PolarHBondContact O-N 2.84Å; Y5-P7 WeakPolarHBondContact O-CD 3.44Å
6	N	35	Very low	32	Very low	149 Å²	149	164 Å²	164	80%	0.797	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-83.2	116.6	168.4	-95.7	-15	0	0	0	108.5	C4	C4-N6 PolarHBondContact O-N 3.17Å
7	P	33.3	Very low	32.7	Very low	96 Å²	96	161.1 Å²	161.1	62%	0.623	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-65.7	146.4	172.9	27.6	-31.5	0	0	0	110	Y5	Y5-P7 WeakPolarHBondContact O-CD 3.44Å
8	P	30.9	Very low	34	Very low	107 Å²	107	160.1 Å²	160.1	70%	0.695	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-65.9	152.8	-177.2	28.5	-33.2	0	0	0	110.7	V10	P8-V10 PolarHBondContact O-N 3.47Å
9	P	30.7	Very low	36.1	Very low	121 Å²	121	164.3 Å²	164.3	79%	0.786	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-61.2	127.5	179.1	25.5	-31.8	0	0	0	109.5	R11	P9-R11 PolarHBondContact O-N 3.12Å
10	V	31.3	Very low	38.7	Very low	139 Å²	139	157.5 Å²	157.5	84%	0.842	78%	0.783	S	S	*	*			trans	-53.6	110.1	170.4	179.7	0	0	0	0	107.2	P8 R12	P8-V10 PolarHBondContact O-N 3.47Å; V10-R12 PolarHBondContact O-N 3.03Å
11	R	26.5	Very low	41.2	Very low	235 Å²	235	150.9 Å²	150.9	89%	0.887	75%	0.751	S	S	*	*			trans	-55.9	106.1	169.7	-83.1	-176.7	173	-169.8	-1.7	106.8	P9 L13	P9-R11 PolarHBondContact O-N 3.12Å; R11-L13 PolarHBondContact O-N 3.12Å
12	R	24.9	Very low	43.7	Very low	237 Å²	237	145.4 Å²	145.4	89%	0.894	73%	0.732	S	S	*	*			trans	-54.5	111	162.2	-75.6	-175.1	-177.8	-169.4	-0.3	105.9	V10 S14	V10-R12 PolarHBondContact O-N 3.03Å; R12-S14 PolarHBondContact O-N 3.43Å
13	L	28.5	Very low	46.4	Very low	165 Å²	165	134.4 Å²	134.4	86%	0.864	70%	0.697	S	S	*	*			trans	-49	118.8	166.5	-78	159.9	0	0	0	106.4	R11 N15	R11-L13 PolarHBondContact O-N 3.12Å; L13-N15 PolarHBondContact O-N 3.15Å
14	S	26.3	Very low	49.2	Very low	97 Å²	97	125 Å²	125	68%	0.678	66%	0.655	S	S	*	*			trans	-49	116.5	175.8	48.5	0	0	0	0	108.6	R12 T16	R12-S14 PolarHBondContact O-N 3.43Å; S14-T16 PolarHBondContact O-N 2.86Å
15	N	30.9	Very low	52	Low	169 Å²	169	122.8 Å²	122.8	90%	0.904	63%	0.633	S	S	*	*			trans	-76.9	50.5	177.3	-143.3	16.9	0	0	0	109.6	L13 P17	L13-N15 PolarHBondContact O-N 3.15Å; N15-P17 WeakPolarHBondContact O-CD 3.5Å
16	T	29.1	Very low	54.7	Low	101 Å²	101	117 Å²	117	62%	0.62	61%	0.614	S	S	*	*			trans	-67.8	116.1	173.2	-32	0	0	0	0	105.4	S14 M18	S14-T16 PolarHBondContact O-N 2.86Å; T16-M18 PolarHBondContact O-N 3.46Å
17	P	43	Very low	57.6	Low	114 Å²	114	109.9 Å²	109.9	74%	0.74	58%	0.576	S	S	*	*			trans	-61.5	110.6	176	25	-29.5	0	0	0	105.9	N15 R19	N15-P17 WeakPolarHBondContact O-CD 3.5Å; P17-R19 PolarHBondContact O-N 3.4Å
18	M	56	Low	60.7	Low	144 Å²	144	105.6 Å²	105.6	71%	0.709	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-48.4	120.5	172.4	-95.9	-164.5	-82.8	0	0	106.4	T16 L20 R47	T16-M18 PolarHBondContact O-N 3.46Å; M18-L20 PolarHBondContact O-N 3.4Å; M18-R47 PolarHBondContact O-NH2 3.14Å
19	R	74.6	Confident	63.8	Low	240 Å²	240	105.5 Å²	105.5	91%	0.906	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-54.6	132.7	178.2	-92.3	-179.4	169.7	179.8	-3.4	108.6	P17	P17-R19 PolarHBondContact O-N 3.4Å
20	L	87.5	Confident	67	Low	27 Å²	27	102.1 Å²	102.1	14%	0.141	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-61.1	142.7	167.5	-65.5	177	0	0	0	107.7	M18 Q24 Q25 V28 R47 N51	M18-L20 PolarHBondContact O-N 3.4Å; L20-Q24 HydrophobicContact CB-CB 3.86Å; L20-Q24 HydrophobicContact CD2-CB 4.15Å; L20-Q24 HydrophobicContact CG-CB 4.42Å; L20-Q25 HydrophobicContact CB-CB 4.27Å; L20-V28 HydrophobicContact CD1-CB 4.35Å; L20-V28 HydrophobicContact CD1-CG2 3.74Å; L20-R47 HydrophobicContact CD2-CG 4.24Å; L20-N51 HydrophobicContact CD1-CB 4.21Å
21	N	90.9	Very high	70	Confident	20 Å²	20	96.4 Å²	96.4	11%	0.107	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-66.2	164.9	171	73.9	35.8	0	0	0	110	G23 Q24 Q25 Y294	N21-G23 VanDerWaalsContact C-N 3.28Å; N21-G23 PolarHBondContact O-N 3.36Å; N21-G23 PolarHBondContact OD1-N 3.23Å; N21-G23 VanDerWaalsContact OD1-N 3.1Å; N21-Q24 PolarHBondContact O-N 3.24Å; N21-Q24 VanDerWaalsContact O-N 3.16Å; N21-Q24 WeakPolarHBondContact OD1-CB 3.48Å; N21-Q24 WeakPolarHBondContact OD1-CG 3.39Å; N21-Q24 PolarHBondContact OD1-N 2.71Å; N21-Q25 WeakPolarHBondContact O-CB 3.41Å; N21-Q25 PolarHBondContact O-N 2.72Å; N21-Y294 WeakPolarHBondContact CB-OH 3.29Å; N21-Y294 PolarHBondContact ND2-OH 3.08Å
22	P	92.6	Very high	73.3	Confident	114 Å²	114	89.7 Å²	89.7	74%	0.74	46%	0.461	S	S	*	.	H	α-helix	trans	-54.8	-39.6	-176.4	-28.7	36.5	0	0	0	114.3	Q25 Q26	P22-Q25 PolarHBondContact O-N 3.17Å; P22-Q26 WeakPolarHBondContact O-CB 3.49Å; P22-Q26 PolarHBondContact O-N 3.22Å
23	G	92.1	Very high	76.7	Confident	18 Å²	18	78.7 Å²	78.7	19%	0.186	42%	0.422	C	S	.	.	H	α-helix	trans	-67.7	-43.8	178.3	0	0	0	0	0	112.6	N21 Q26 A27 L290	N21-G23 VanDerWaalsContact C-N 3.28Å; N21-G23 PolarHBondContact O-N 3.36Å; N21-G23 PolarHBondContact OD1-N 3.23Å; N21-G23 VanDerWaalsContact OD1-N 3.1Å; G23-Q26 PolarHBondContact O-N 2.86Å; G23-A27 WeakPolarHBondContact O-CB 3.31Å; G23-A27 PolarHBondContact O-N 3.47Å; G23-L290 WeakPolarHBondContact O-CD2 3.44Å
24	Q	94.4	Very high	79.9	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.005	38%	0.383	C	S	.	.	H	α-helix	trans	-63.3	-41.8	175.1	-71.5	175.2	-13.6	0	0	111.2	L20 N21 A27 V28 S43 V48 L290	L20-Q24 HydrophobicContact CB-CB 3.86Å; L20-Q24 HydrophobicContact CD2-CB 4.15Å; L20-Q24 HydrophobicContact CG-CB 4.42Å; N21-Q24 PolarHBondContact O-N 3.24Å; N21-Q24 VanDerWaalsContact O-N 3.16Å; N21-Q24 WeakPolarHBondContact OD1-CB 3.48Å; N21-Q24 WeakPolarHBondContact OD1-CG 3.39Å; N21-Q24 PolarHBondContact OD1-N 2.71Å; Q24-A27 PolarHBondContact O-N 3.04Å; Q24-V28 WeakPolarHBondContact O-CG2 3.43Å; Q24-V28 PolarHBondContact O-N 3.4Å; Q24-S43 PolarHBondContact NE2-O 3.11Å; Q24-V48 HydrophobicContact CB-CG2 3.81Å; Q24-V48 HydrophobicContact CG-CG2 3.65Å; Q24-L290 HydrophobicContact CG-CD1 4.26Å; Q24-L290 HydrophobicContact CG-CD2 4.13Å
25	Q	95.2	Very high	83.3	Confident	72 Å²	72	66.6 Å²	66.6	34%	0.336	35%	0.351	S	S	.	.	H	α-helix	trans	-63.3	-47.2	177.2	-172	67.1	25.5	0	0	110.9	L20 N21 P22 A27 V28 E29	L20-Q25 HydrophobicContact CB-CB 4.27Å; N21-Q25 WeakPolarHBondContact O-CB 3.41Å; N21-Q25 PolarHBondContact O-N 2.72Å; P22-Q25 PolarHBondContact O-N 3.17Å; Q25-A27 VanDerWaalsContact C-N 3.28Å; Q25-A27 PolarHBondContact O-N 2.83Å; Q25-V28 PolarHBondContact O-N 3.41Å; Q25-V28 VanDerWaalsContact O-N 3.09Å; Q25-E29 HydrophobicContact CG-CG 4.43Å; Q25-E29 WeakPolarHBondContact CG-OE1 3.24Å; Q25-E29 PolarHBondContact NE2-OE1 2.78Å; Q25-E29 WeakPolarHBondContact O-CG 3.41Å; Q25-E29 PolarHBondContact O-N 3.45Å
26	Q	95.9	Very high	86.4	Confident	91 Å²	91	58.6 Å²	58.6	43%	0.425	31%	0.308	S	S	.	.	H	α-helix	trans	-58.5	-41.6	175.6	-170	-176	36.6	0	0	111.6	P22 G23 V28 E29 F30 I288	P22-Q26 WeakPolarHBondContact O-CB 3.49Å; P22-Q26 PolarHBondContact O-N 3.22Å; G23-Q26 PolarHBondContact O-N 2.86Å; Q26-V28 VanDerWaalsContact C-N 3.31Å; Q26-V28 PolarHBondContact O-N 3.5Å; Q26-E29 PolarHBondContact O-N 2.79Å; Q26-F30 WeakPolarHBondContact O-CB 3.46Å; Q26-F30 PolarHBondContact O-N 3.22Å; Q26-I288 HydrophobicContact CB-CD1 4.47Å; Q26-I288 HydrophobicContact CG-CD1 3.91Å; Q26-I288 HydrophobicContact CG-CG1 4.43Å
27	A	96.1	Very high	89.6	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.8	-35	177	0	0	0	0	0	112.7	G23 Q24 Q25 V37 V48 K52 I288	G23-A27 WeakPolarHBondContact O-CB 3.31Å; G23-A27 PolarHBondContact O-N 3.47Å; Q24-A27 PolarHBondContact O-N 3.04Å; Q25-A27 VanDerWaalsContact C-N 3.28Å; Q25-A27 PolarHBondContact O-N 2.83Å; A27-V37 HydrophobicContact CB-CG1 4.1Å; A27-V37 HydrophobicContact CB-CG2 3.82Å; A27-V48 HydrophobicContact CB-CG1 3.58Å; A27-K52 WeakPolarHBondContact O-CD 3.36Å; A27-K52 WeakPolarHBondContact O-CE 3.26Å; A27-K52 PolarHBondContact O-NZ 2.99Å; A27-I288 HydrophobicContact CB-CD1 4.31Å; A27-I288 HydrophobicContact CB-CG2 4.12Å
28	V	96.6	Very high	92	Very high	6 Å²	6	48.4 Å²	48.4	4%	0.036	24%	0.244	C	C	.	.	H	α-helix	trans	-73.4	-43.5	176.4	167.5	0	0	0	0	111.8	L20 Q24 Q25 Q26 V48 N51 K52 H55	L20-V28 HydrophobicContact CD1-CB 4.35Å; L20-V28 HydrophobicContact CD1-CG2 3.74Å; Q24-V28 WeakPolarHBondContact O-CG2 3.43Å; Q24-V28 PolarHBondContact O-N 3.4Å; Q25-V28 PolarHBondContact O-N 3.41Å; Q25-V28 VanDerWaalsContact O-N 3.09Å; Q26-V28 VanDerWaalsContact C-N 3.31Å; Q26-V28 PolarHBondContact O-N 3.5Å; V28-V48 HydrophobicContact CG2-CG1 4.26Å; V28-N51 HydrophobicContact CG1-CB 4.49Å; V28-N51 HydrophobicContact CG2-CB 3.82Å; V28-K52 HydrophobicContact CG2-CB 4.32Å; V28-H55 HydrophobicContact CG1-CB 3.61Å; V28-H55 PolarHBondContact O-CD2 3.44Å
29	E	96.3	Very high	93.5	Very high	104 Å²	104	41.6 Å²	41.6	49%	0.486	21%	0.21	S	C	.	.	H	α-helix	trans	-74.7	-29.3	-175.7	-70.8	176.1	176.3	0	0	113.5	Q25 Q26 V31	Q25-E29 HydrophobicContact CG-CG 4.43Å; Q25-E29 WeakPolarHBondContact CG-OE1 3.24Å; Q25-E29 PolarHBondContact NE2-OE1 2.78Å; Q25-E29 WeakPolarHBondContact O-CG 3.41Å; Q25-E29 PolarHBondContact O-N 3.45Å; Q26-E29 PolarHBondContact O-N 2.79Å; E29-V31 PolarHBondContact O-N 2.9Å
30	F	97.5	Very high	93.9	Very high	50 Å²	50	30.1 Å²	30.1	22%	0.219	17%	0.167	C	C	.	.			trans	-73.1	97.9	179.9	-172.3	-87.7	0	0	0	111.4	Q26 C35 K52 K286 I288	Q26-F30 WeakPolarHBondContact O-CB 3.46Å; Q26-F30 PolarHBondContact O-N 3.22Å; F30-C35 HydrophobicContact CD1-CB 3.62Å; F30-C35 HydrophobicContact CE1-CB 3.83Å; F30-K52 WeakPolarHBondContact O-CE 3.46Å; F30-K52 PolarHBondContact O-NZ 3.5Å; F30-K286 HydrophobicContact CD1-CB 4.24Å; F30-K286 HydrophobicContact CD2-CB 4.3Å; F30-K286 HydrophobicContact CD2-CG 4.03Å; F30-K286 HydrophobicContact CE1-CB 3.69Å; F30-K286 HydrophobicContact CE1-CG 4.4Å; F30-K286 HydrophobicContact CE2-CB 3.75Å; F30-K286 HydrophobicContact CE2-CG 3.85Å; F30-K286 HydrophobicContact CG-CG 4.38Å; F30-K286 HydrophobicContact CZ-CB 3.41Å; F30-K286 VanDerWaalsContact CZ-CB 3.41Å; F30-K286 HydrophobicContact CZ-CG 4.05Å; F30-I288 HydrophobicContact CB-CD1 4.09Å
31	V	96.3	Very high	93.8	Very high	19 Å²	19	28.9 Å²	28.9	12%	0.115	16%	0.16	C	C	.	.			trans	-123	6.1	-176.3	-62.7	0	0	0	0	114.1	E29 L56 Y227	E29-V31 PolarHBondContact O-N 2.9Å; V31-L56 HydrophobicContact CB-CD2 3.81Å; V31-L56 HydrophobicContact CG1-CD2 3.55Å; V31-L56 HydrophobicContact CG1-CG 4.13Å; V31-Y227 HydrophobicContact CB-CE2 4.29Å; V31-Y227 WeakPolarHBondContact O-CE2 3.38Å
32	T	94.9	Very high	93.4	Very high	94 Å²	94	28.6 Å²	28.6	58%	0.577	16%	0.162	S	C	*	.	S	Bend	trans	-98	-1	-166.8	51.2	0	0	0	0	114.7	R253	T32-R253 PolarHBondContact O-NE 2.98Å; T32-R253 PolarHBondContact O-NH1 3.21Å; T32-R253 PolarHBondContact O-NH2 3.34Å; T32-R253 VanDerWaalsContact O-NH2 3.11Å
33	G	95.3	Very high	93.2	Very high	6 Å²	6	23.2 Å²	23.2	6%	0.062	13%	0.127	C	C	.	.	S	Bend	trans	-173.3	-166.9	-176.3	0	0	0	0	0	113.1	C35 A252	G33-C35 PolarHBondContact O-N 3.01Å; G33-A252 CarbonylContact C-O 3.59Å; G33-A252 WeakPolarHBondContact CA-O 3.41Å
34	P	97.2	Very high	92.9	Very high	9 Å²	9	23.4 Å²	23.4	6%	0.058	13%	0.129	C	C	.	.			trans	-68.8	128.4	-179.4	26.3	-32	0	0	0	109.7	A252 F254 F282 A284 L285 K286	P34-A252 WeakPolarHBondContact CA-O 3.37Å; P34-A252 HydrophobicContact CB-CB 4.2Å; P34-A252 WeakPolarHBondContact CD-O 3.44Å; P34-A252 HydrophobicContact CG-CB 4.14Å; P34-F254 HydrophobicContact CB-CD1 4.27Å; P34-F254 HydrophobicContact CB-CE1 3.5Å; P34-F254 HydrophobicContact CB-CE2 4.14Å; P34-F254 HydrophobicContact CB-CZ 3.43Å; P34-F254 VanDerWaalsContact CB-CZ 3.43Å; P34-F282 HydrophobicContact CB-CB 3.97Å; P34-F282 HydrophobicContact CB-CD1 4.35Å; P34-F282 HydrophobicContact CB-CG 4.25Å; P34-F282 HydrophobicContact CG-CB 4.05Å; P34-A284 HydrophobicContact CG-CB 4.29Å; P34-L285 HydrophobicContact CB-CD1 4.06Å; P34-K286 PolarHBondContact O-N 2.92Å
35	C	97.5	Very high	92.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	132.5	-177.4	-173.7	0	0	0	0	111	F30 G33 F254 T255 V256 K286	F30-C35 HydrophobicContact CD1-CB 3.62Å; F30-C35 HydrophobicContact CE1-CB 3.83Å; G33-C35 PolarHBondContact O-N 3.01Å; C35-F254 PolarHBondContact N-O 3.27Å; C35-F254 VanDerWaalsContact N-O 3.09Å; C35-T255 HydrophobicContact CB-CG2 4.2Å; C35-T255 WeakPolarHBondContact O-CA 3.37Å; C35-V256 PolarHBondContact O-N 3.1Å; C35-K286 WeakPolarHBondContact CA-O 3.48Å
36	L	95.8	Very high	92.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	118	166.9	168.3	59.8	0	0	0	108.3	L38 V256 L275 L278 L285 K286 V287 I288 F315	L36-L38 HydrophobicContact CD2-CD1 4.18Å; L36-V256 WeakPolarHBondContact CA-O 3.4Å; L36-V256 HydrophobicContact CB-CG2 4.14Å; L36-V256 HydrophobicContact CD1-CG2 3.73Å; L36-L275 HydrophobicContact CD1-CD2 3.49Å; L36-L275 VanDerWaalsContact CD1-CD2 3.49Å; L36-L275 HydrophobicContact CD2-CD2 3.97Å; L36-L275 HydrophobicContact CG-CD2 4.41Å; L36-L278 HydrophobicContact CB-CD2 3.98Å; L36-L278 HydrophobicContact CD2-CD2 4.46Å; L36-L285 HydrophobicContact CB-CD1 3.94Å; L36-L285 HydrophobicContact CB-CD2 4.09Å; L36-L285 HydrophobicContact CB-CG 4.22Å; L36-L285 HydrophobicContact CD2-CD2 4.39Å; L36-K286 PolarHBondContact N-O 3.3Å; L36-V287 HydrophobicContact CB-CG2 4.47Å; L36-V287 HydrophobicContact CD2-CG1 4.44Å; L36-V287 HydrophobicContact CD2-CG2 4.34Å; L36-V287 CarbonylContact O-C 3.39Å; L36-V287 WeakPolarHBondContact O-CA 3.12Å; L36-I288 PolarHBondContact O-N 3.34Å; L36-F315 HydrophobicContact CD2-CZ 4.35Å
37	V	95.7	Very high	91.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	101.2	170.6	-173	0	0	0	0	107.6	A27 A39 T255 V256 V257 G258 I288 L290	A27-V37 HydrophobicContact CB-CG1 4.1Å; A27-V37 HydrophobicContact CB-CG2 3.82Å; V37-A39 HydrophobicContact CG1-CB 4.22Å; V37-A39 PolarHBondContact O-N 3.18Å; V37-T255 HydrophobicContact CG2-CG2 3.66Å; V37-V256 PolarHBondContact N-O 3.16Å; V37-V257 HydrophobicContact CB-CB 4.47Å; V37-V257 HydrophobicContact CB-CG1 4.26Å; V37-V257 HydrophobicContact CB-CG2 4.06Å; V37-V257 HydrophobicContact CG1-CG1 4.45Å; V37-V257 HydrophobicContact CG2-CG2 4.37Å; V37-V257 WeakPolarHBondContact O-CA 3.33Å; V37-G258 PolarHBondContact O-N 2.93Å; V37-G258 VanDerWaalsContact O-N 3.15Å; V37-I288 CarbonylContact C-O 3.58Å; V37-I288 WeakPolarHBondContact CA-O 3.4Å; V37-L290 HydrophobicContact CG1-CD1 3.51Å; V37-L290 HydrophobicContact CG1-CD2 4.39Å; V37-L290 HydrophobicContact CG1-CG 3.69Å
38	L	93	Very high	91.6	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	99.2	179.3	-158.5	106.4	0	0	0	108.2	L36 G258 V287 I288 K289 L290 F315 K317	L36-L38 HydrophobicContact CD2-CD1 4.18Å; L38-G258 WeakPolarHBondContact CA-O 3.35Å; L38-V287 HydrophobicContact CB-CG1 4.4Å; L38-I288 PolarHBondContact N-O 2.97Å; L38-K289 HydrophobicContact CB-CG 4.4Å; L38-K289 HydrophobicContact CD2-CG 4.38Å; L38-K289 CarbonylContact O-C 3.56Å; L38-K289 WeakPolarHBondContact O-CA 3.31Å; L38-L290 PolarHBondContact O-N 3.47Å; L38-F315 HydrophobicContact CD1-CB 3.9Å; L38-F315 HydrophobicContact CD1-CD1 4.36Å; L38-F315 HydrophobicContact CD1-CD2 3.82Å; L38-F315 HydrophobicContact CD1-CE2 4.45Å; L38-F315 HydrophobicContact CD1-CG 3.76Å; L38-F315 HydrophobicContact CD2-CB 3.78Å; L38-F315 HydrophobicContact CD2-CG 4.48Å; L38-K317 HydrophobicContact CD2-CB 4.19Å; L38-K317 HydrophobicContact CD2-CD 3.71Å; L38-K317 HydrophobicContact CD2-CG 4.34Å
39	A	88	Confident	91.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	103.5	-161.4	0	0	0	0	0	111.3	V37 S43 K45 V257 G258 D259 L290	V37-A39 HydrophobicContact CG1-CB 4.22Å; V37-A39 PolarHBondContact O-N 3.18Å; A39-S43 WeakPolarHBondContact CB-OG 3.2Å; A39-K45 HydrophobicContact CB-CD 3.87Å; A39-K45 HydrophobicContact CB-CG 3.33Å; A39-K45 WeakPolarHBondContact O-CD 3.45Å; A39-V257 HydrophobicContact CB-CG1 4.05Å; A39-G258 PolarHBondContact N-O 3.44Å; A39-D259 WeakPolarHBondContact O-CB 3.35Å; A39-L290 HydrophobicContact CB-CB 4.1Å; A39-L290 HydrophobicContact CB-CD1 3.87Å; A39-L290 HydrophobicContact CB-CG 4.19Å
40	G	84.2	Confident	91.2	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.099	C	C	.	.			trans	-62.2	169.3	-177.8	0	0	0	0	0	113	G42 S43 D259 L290	G40-G42 PolarHBondContact O-N 3.13Å; G40-S43 PolarHBondContact N-OG 2.92Å; G40-S43 VanDerWaalsContact O-CB 3.23Å; G40-S43 WeakPolarHBondContact O-CB 3.26Å; G40-S43 PolarHBondContact O-N 3.16Å; G40-S43 PolarHBondContact O-OG 3.39Å; G40-D259 WeakPolarHBondContact CA-OD2 3.41Å; G40-L290 PolarHBondContact N-O 3.17Å
41	A	83.7	Confident	91	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	136.3	178.5	0	0	0	0	0	111.3	S43 Q262 N293 L319 T618	A41-S43 PolarHBondContact O-N 3.05Å; A41-Q262 VanDerWaalsContact N-NE2 3.19Å; A41-N293 PolarHBondContact O-ND2 2.88Å; A41-L319 HydrophobicContact CB-CD1 4.25Å; A41-T618 HydrophobicContact CB-CG2 3.85Å
42	G	84.2	Confident	91	Very high	14 Å²	14	16 Å²	16	14%	0.144	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	12.8	177.7	0	0	0	0	0	116.4	G40 G44 N293 Y294	G40-G42 PolarHBondContact O-N 3.13Å; G42-G44 VanDerWaalsContact C-N 3.3Å; G42-G44 PolarHBondContact O-N 3.47Å; G42-N293 WeakPolarHBondContact CA-ND2 3.45Å; G42-Y294 PolarHBondContact O-N 3.13Å
43	S	87.3	Confident	91.1	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.007	7%	0.068	C	C	.	.	S	Bend	trans	-80.7	-2.8	-178.3	62.2	0	0	0	0	115.5	Q24 A39 G40 A41 L290 Q292	Q24-S43 PolarHBondContact NE2-O 3.11Å; A39-S43 WeakPolarHBondContact CB-OG 3.2Å; G40-S43 PolarHBondContact N-OG 2.92Å; G40-S43 VanDerWaalsContact O-CB 3.23Å; G40-S43 WeakPolarHBondContact O-CB 3.26Å; G40-S43 PolarHBondContact O-N 3.16Å; G40-S43 PolarHBondContact O-OG 3.39Å; A41-S43 PolarHBondContact O-N 3.05Å; S43-L290 WeakPolarHBondContact CB-O 3.47Å; S43-Q292 VanDerWaalsContact CA-O 3.29Å; S43-Q292 WeakPolarHBondContact CA-O 3.47Å
44	G	86.6	Confident	91	Very high	23 Å²	23	11.7 Å²	11.7	24%	0.237	7%	0.068	C	C	.	.			trans	88.3	30.3	-178.5	0	0	0	0	0	115	G42 T46 R47 V48	G42-G44 VanDerWaalsContact C-N 3.3Å; G42-G44 PolarHBondContact O-N 3.47Å; G44-T46 PolarHBondContact O-N 3.42Å; G44-R47 WeakPolarHBondContact O-CA 3.22Å; G44-R47 VanDerWaalsContact O-CB 3.31Å; G44-R47 WeakPolarHBondContact O-CB 3.37Å; G44-R47 PolarHBondContact O-N 2.86Å; G44-V48 PolarHBondContact O-N 3.42Å
45	K	88.9	Confident	90.9	Very high	19 Å²	19	14 Å²	14	8%	0.083	8%	0.078	C	C	.	.	H	α-helix	trans	-39.1	-62.5	174.1	-73.6	-169.9	-76.5	-177.4	0	113.8	A39 R47 V48 I49 E232 V257	A39-K45 HydrophobicContact CB-CD 3.87Å; A39-K45 HydrophobicContact CB-CG 3.33Å; A39-K45 WeakPolarHBondContact O-CD 3.45Å; K45-R47 PolarHBondContact O-N 3.14Å; K45-V48 WeakPolarHBondContact O-CB 3.37Å; K45-V48 PolarHBondContact O-N 2.95Å; K45-I49 PolarHBondContact O-N 2.89Å; K45-I49 VanDerWaalsContact O-N 3.08Å; K45-E232 VanDerWaalsContact NZ-CD 3.34Å; K45-E232 IonicContact NZ-OE1 3.72Å; K45-E232 PolarHBondContact NZ-OE1 3.29Å; K45-E232 IonicContact NZ-OE2 2.71Å; K45-E232 PolarHBondContact NZ-OE2 2.82Å; K45-E232 VanDerWaalsContact NZ-OE2 3.1Å; K45-V257 HydrophobicContact CB-CG1 4Å; K45-V257 HydrophobicContact CD-CG1 3.94Å; K45-V257 HydrophobicContact CG-CG1 3.74Å
46	T	83.1	Confident	90.8	Very high	39 Å²	39	14 Å²	14	24%	0.239	8%	0.078	C	C	.	.	H	α-helix	trans	-58.6	-36.5	-178.2	-40.9	0	0	0	0	111.7	G44 I49 T50	G44-T46 PolarHBondContact O-N 3.42Å; T46-I49 PolarHBondContact O-N 3.17Å; T46-T50 HydrophobicContact CG2-CG2 4.44Å; T46-T50 WeakPolarHBondContact O-CG2 3.09Å; T46-T50 PolarHBondContact O-N 3Å; T46-T50 PolarHBondContact O-OG1 3.38Å
47	R	87.6	Confident	90.8	Very high	71 Å²	71	15 Å²	15	27%	0.268	8%	0.084	S	C	.	.	H	α-helix	trans	-68.4	-37.3	178.9	-175.7	177.2	-176.6	-166.4	-3.8	112	M18 L20 G44 K45 T50 N51	M18-R47 PolarHBondContact O-NH2 3.14Å; L20-R47 HydrophobicContact CD2-CG 4.24Å; G44-R47 WeakPolarHBondContact O-CA 3.22Å; G44-R47 VanDerWaalsContact O-CB 3.31Å; G44-R47 WeakPolarHBondContact O-CB 3.37Å; G44-R47 PolarHBondContact O-N 2.86Å; K45-R47 PolarHBondContact O-N 3.14Å; R47-T50 PolarHBondContact O-OG1 3.4Å; R47-T50 VanDerWaalsContact O-OG1 3.08Å; R47-N51 WeakPolarHBondContact CG-ND2 3.32Å; R47-N51 WeakPolarHBondContact O-CB 3.36Å; R47-N51 PolarHBondContact O-N 3.31Å; R47-N51 VanDerWaalsContact O-N 3.09Å; R47-N51 PolarHBondContact O-ND2 3.1Å
48	V	93.4	Very high	90.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65	-46.2	174.1	170.2	0	0	0	0	110.2	Q24 A27 V28 G44 K45 T50 N51 K52 L290	Q24-V48 HydrophobicContact CB-CG2 3.81Å; Q24-V48 HydrophobicContact CG-CG2 3.65Å; A27-V48 HydrophobicContact CB-CG1 3.58Å; V28-V48 HydrophobicContact CG2-CG1 4.26Å; G44-V48 PolarHBondContact O-N 3.42Å; K45-V48 WeakPolarHBondContact O-CB 3.37Å; K45-V48 PolarHBondContact O-N 2.95Å; V48-T50 PolarHBondContact O-N 2.9Å; V48-N51 PolarHBondContact O-N 3.44Å; V48-K52 WeakPolarHBondContact O-CB 3.35Å; V48-K52 PolarHBondContact O-N 3.17Å; V48-L290 HydrophobicContact CG2-CD1 3.76Å
49	I	93.3	Very high	90.7	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-59.8	-49.3	178.5	-62.5	175.3	0	0	0	110.9	K45 T46 N51 K52 I53 M80 L229 D231 V257	K45-I49 PolarHBondContact O-N 2.89Å; K45-I49 VanDerWaalsContact O-N 3.08Å; T46-I49 PolarHBondContact O-N 3.17Å; I49-N51 PolarHBondContact O-N 3.35Å; I49-K52 PolarHBondContact O-N 3.24Å; I49-I53 HydrophobicContact CG2-CD1 4Å; I49-I53 WeakPolarHBondContact O-CG1 3.48Å; I49-I53 PolarHBondContact O-N 3.49Å; I49-M80 HydrophobicContact CB-CE 4.39Å; I49-M80 HydrophobicContact CD1-CE 4.09Å; I49-M80 HydrophobicContact CG2-CE 3.74Å; I49-M80 HydrophobicContact CG2-SD 3.73Å; I49-L229 HydrophobicContact CG2-CB 4.47Å; I49-L229 HydrophobicContact CG2-CD2 4Å; I49-D231 HydrophobicContact CD1-CB 3.65Å; I49-D231 VanDerWaalsContact CD1-CG 3.47Å; I49-V257 HydrophobicContact CD1-CB 4.09Å; I49-V257 HydrophobicContact CD1-CG2 3.78Å; I49-V257 HydrophobicContact CG1-CB 4.46Å; I49-V257 HydrophobicContact CG1-CG2 3.66Å
50	T	92.3	Very high	91	Very high	9 Å²	9	26.4 Å²	26.4	6%	0.055	15%	0.151	C	C	.	.	H	α-helix	trans	-63.3	-43.6	-178.1	60.1	0	0	0	0	112	T46 R47 V48 K52 I53 A54 M80 R83 V84	T46-T50 HydrophobicContact CG2-CG2 4.44Å; T46-T50 WeakPolarHBondContact O-CG2 3.09Å; T46-T50 PolarHBondContact O-N 3Å; T46-T50 PolarHBondContact O-OG1 3.38Å; R47-T50 PolarHBondContact O-OG1 3.4Å; R47-T50 VanDerWaalsContact O-OG1 3.08Å; V48-T50 PolarHBondContact O-N 2.9Å; T50-K52 VanDerWaalsContact C-N 3.34Å; T50-I53 PolarHBondContact O-N 3.21Å; T50-A54 PolarHBondContact O-N 3.39Å; T50-A54 VanDerWaalsContact O-N 3.12Å; T50-M80 HydrophobicContact CG2-CG 4.32Å; T50-R83 HydrophobicContact CG2-CB 3.72Å; T50-V84 HydrophobicContact CG2-CG2 3.97Å
51	N	93.7	Very high	91.5	Very high	46 Å²	46	29.5 Å²	29.5	25%	0.246	18%	0.182	C	C	.	.	H	α-helix	trans	-68.4	-34.1	176.7	-76.2	-63.2	0	0	0	112.2	L20 V28 R47 V48 I49 A54 H55	L20-N51 HydrophobicContact CD1-CB 4.21Å; V28-N51 HydrophobicContact CG1-CB 4.49Å; V28-N51 HydrophobicContact CG2-CB 3.82Å; R47-N51 WeakPolarHBondContact CG-ND2 3.32Å; R47-N51 WeakPolarHBondContact O-CB 3.36Å; R47-N51 PolarHBondContact O-N 3.31Å; R47-N51 VanDerWaalsContact O-N 3.09Å; R47-N51 PolarHBondContact O-ND2 3.1Å; V48-N51 PolarHBondContact O-N 3.44Å; I49-N51 PolarHBondContact O-N 3.35Å; N51-A54 PolarHBondContact O-N 3.34Å; N51-H55 VanDerWaalsContact O-CB 3.3Å; N51-H55 WeakPolarHBondContact O-CB 3.39Å; N51-H55 PolarHBondContact O-N 2.97Å
52	K	96.1	Very high	92	Very high	1 Å²	1	32 Å²	32	0%	0.004	19%	0.192	C	C	.	.	H	α-helix	trans	-66.4	-42.8	176.4	-169	165.2	-160.1	166.7	0	112	A27 V28 F30 V48 I49 T50 A54 H55 L56 Y227 L229 T255	A27-K52 WeakPolarHBondContact O-CD 3.36Å; A27-K52 WeakPolarHBondContact O-CE 3.26Å; A27-K52 PolarHBondContact O-NZ 2.99Å; V28-K52 HydrophobicContact CG2-CB 4.32Å; F30-K52 WeakPolarHBondContact O-CE 3.46Å; F30-K52 PolarHBondContact O-NZ 3.5Å; V48-K52 WeakPolarHBondContact O-CB 3.35Å; V48-K52 PolarHBondContact O-N 3.17Å; I49-K52 PolarHBondContact O-N 3.24Å; T50-K52 VanDerWaalsContact C-N 3.34Å; K52-A54 VanDerWaalsContact C-N 3.29Å; K52-A54 PolarHBondContact O-N 3.06Å; K52-H55 PolarHBondContact O-N 3.27Å; K52-L56 HydrophobicContact CG-CD1 4.28Å; K52-L56 WeakPolarHBondContact O-CB 3.44Å; K52-L56 VanDerWaalsContact O-CG 3.27Å; K52-L56 WeakPolarHBondContact O-CG 3.47Å; K52-L56 PolarHBondContact O-N 3.36Å; K52-Y227 VanDerWaalsContact CE-OH 3.29Å; K52-Y227 WeakPolarHBondContact CE-OH 3.27Å; K52-Y227 PolarHBondContact NZ-OH 3.48Å; K52-L229 HydrophobicContact CB-CD2 4.22Å; K52-L229 HydrophobicContact CD-CD2 4.13Å; K52-L229 HydrophobicContact CG-CD2 4.21Å; K52-T255 HydrophobicContact CD-CG2 4.23Å; K52-T255 WeakPolarHBondContact CE-OG1 3.44Å; K52-T255 PolarHBondContact NZ-OG1 2.96Å
53	I	95.2	Very high	92.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.2	-45.7	172.4	-66.7	166.2	0	0	0	110.1	I49 T50 H55 L56 I57 I67 A69 M80 V84 L88 L96 L229	I49-I53 HydrophobicContact CG2-CD1 4Å; I49-I53 WeakPolarHBondContact O-CG1 3.48Å; I49-I53 PolarHBondContact O-N 3.49Å; T50-I53 PolarHBondContact O-N 3.21Å; I53-H55 VanDerWaalsContact C-N 3.35Å; I53-H55 PolarHBondContact O-N 2.99Å; I53-L56 PolarHBondContact O-N 2.95Å; I53-I57 HydrophobicContact CG2-CD1 4.12Å; I53-I57 PolarHBondContact O-N 3.28Å; I53-I67 HydrophobicContact CG1-CG2 4.45Å; I53-A69 HydrophobicContact CD1-CB 3.91Å; I53-M80 HydrophobicContact CD1-SD 4.43Å; I53-V84 HydrophobicContact CB-CG2 4.49Å; I53-V84 HydrophobicContact CD1-CG2 3.96Å; I53-V84 HydrophobicContact CG2-CG1 4.03Å; I53-V84 HydrophobicContact CG2-CG2 4.44Å; I53-L88 HydrophobicContact CG2-CD1 4.24Å; I53-L96 HydrophobicContact CG2-CD1 3.97Å; I53-L96 HydrophobicContact CG2-CD2 3.75Å; I53-L229 HydrophobicContact CG1-CD1 3.99Å; I53-L229 HydrophobicContact CG1-CD2 4.15Å
54	A	93.9	Very high	92.7	Very high	9 Å²	9	36.2 Å²	36.2	7%	0.074	21%	0.209	C	C	.	.	H	α-helix	trans	-63.8	-40	178.1	0	0	0	0	0	112.8	T50 N51 K52 I57 R58 T87 L88	T50-A54 PolarHBondContact O-N 3.39Å; T50-A54 VanDerWaalsContact O-N 3.12Å; N51-A54 PolarHBondContact O-N 3.34Å; K52-A54 VanDerWaalsContact C-N 3.29Å; K52-A54 PolarHBondContact O-N 3.06Å; A54-I57 PolarHBondContact O-N 2.93Å; A54-R58 WeakPolarHBondContact O-CB 3.36Å; A54-R58 PolarHBondContact O-N 3.37Å; A54-T87 HydrophobicContact CB-CG2 3.94Å; A54-L88 HydrophobicContact CB-CD1 4.39Å; A54-L88 HydrophobicContact CB-CD2 3.78Å; A54-L88 HydrophobicContact CB-CG 3.98Å
55	H	95.3	Very high	93.1	Very high	57 Å²	57	41.9 Å²	41.9	26%	0.264	22%	0.223	S	C	.	.	H	α-helix	trans	-67.3	-42	177.1	-177	72.1	0	0	0	112.2	V28 N51 K52 I53 I57 G59 C60	V28-H55 HydrophobicContact CG1-CB 3.61Å; V28-H55 PolarHBondContact O-CD2 3.44Å; N51-H55 VanDerWaalsContact O-CB 3.3Å; N51-H55 WeakPolarHBondContact O-CB 3.39Å; N51-H55 PolarHBondContact O-N 2.97Å; K52-H55 PolarHBondContact O-N 3.27Å; I53-H55 VanDerWaalsContact C-N 3.35Å; I53-H55 PolarHBondContact O-N 2.99Å; H55-I57 VanDerWaalsContact C-N 3.26Å; H55-I57 PolarHBondContact O-N 3.36Å; H55-G59 CarbonylContact O-C 3.58Å; H55-G59 WeakPolarHBondContact O-CA 3.3Å; H55-G59 PolarHBondContact O-N 3Å; H55-C60 VanDerWaalsContact CD2-SG 3.6Å; H55-C60 PolarHBondContact O-N 3.09Å
56	L	96.5	Very high	93.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-56.5	-43.4	175.1	-76.4	163.7	0	0	0	111.1	V31 K52 I53 C60 G61 Y62 I67 Y227 L229	V31-L56 HydrophobicContact CB-CD2 3.81Å; V31-L56 HydrophobicContact CG1-CD2 3.55Å; V31-L56 HydrophobicContact CG1-CG 4.13Å; K52-L56 HydrophobicContact CG-CD1 4.28Å; K52-L56 WeakPolarHBondContact O-CB 3.44Å; K52-L56 VanDerWaalsContact O-CG 3.27Å; K52-L56 WeakPolarHBondContact O-CG 3.47Å; K52-L56 PolarHBondContact O-N 3.36Å; I53-L56 PolarHBondContact O-N 2.95Å; L56-C60 CarbonylContact O-C 3.56Å; L56-C60 WeakPolarHBondContact O-CB 3.18Å; L56-C60 PolarHBondContact O-N 3.46Å; L56-G61 PolarHBondContact O-N 3.39Å; L56-Y62 HydrophobicContact CB-CD2 4.23Å; L56-Y62 HydrophobicContact CB-CG 4.45Å; L56-Y62 HydrophobicContact CD2-CD2 3.67Å; L56-Y62 HydrophobicContact CD2-CE2 3.71Å; L56-Y62 HydrophobicContact CD2-CG 4.38Å; L56-Y62 WeakPolarHBondContact O-CB 3.4Å; L56-Y62 PolarHBondContact O-N 3.19Å; L56-I67 HydrophobicContact CB-CD1 3.81Å; L56-I67 HydrophobicContact CD1-CD1 4.32Å; L56-Y227 HydrophobicContact CD1-CD1 3.49Å; L56-Y227 VanDerWaalsContact CD1-CD1 3.49Å; L56-Y227 HydrophobicContact CD1-CD2 4.36Å; L56-Y227 HydrophobicContact CD1-CE1 3.72Å; L56-Y227 HydrophobicContact CD1-CG 3.83Å; L56-Y227 HydrophobicContact CD2-CD1 4.4Å; L56-Y227 HydrophobicContact CD2-CD2 3.79Å; L56-Y227 HydrophobicContact CD2-CE1 4.48Å; L56-Y227 HydrophobicContact CD2-CE2 3.9Å; L56-Y227 HydrophobicContact CD2-CG 4.06Å; L56-L229 HydrophobicContact CD1-CD1 4.24Å
57	I	94.7	Very high	94.1	Very high	22 Å²	22	40.4 Å²	40.4	11%	0.113	21%	0.214	C	C	.	.	H	α-helix	trans	-74.2	-56.2	-178.1	-66.6	165	0	0	0	111.3	I53 A54 H55 G61 Y62 A64 I67 L88	I53-I57 HydrophobicContact CG2-CD1 4.12Å; I53-I57 PolarHBondContact O-N 3.28Å; A54-I57 PolarHBondContact O-N 2.93Å; H55-I57 VanDerWaalsContact C-N 3.26Å; H55-I57 PolarHBondContact O-N 3.36Å; I57-G61 PolarHBondContact O-N 2.98Å; I57-Y62 WeakPolarHBondContact CA-O 3.27Å; I57-A64 HydrophobicContact CD1-CB 3.74Å; I57-A64 HydrophobicContact CG1-CB 4.45Å; I57-I67 HydrophobicContact CD1-CD1 3.99Å; I57-I67 HydrophobicContact CG1-CD1 3.56Å; I57-L88 HydrophobicContact CD1-CD1 3.44Å; I57-L88 VanDerWaalsContact CD1-CD1 3.44Å
58	R	93.1	Very high	94.5	Very high	138 Å²	138	37 Å²	37	52%	0.521	20%	0.202	S	C	.	.	H	α-helix	trans	-80.9	-39	-172.8	-67.7	-178.2	174.4	160.4	-0	113.6	A54 T87 L88 E92	A54-R58 WeakPolarHBondContact O-CB 3.36Å; A54-R58 PolarHBondContact O-N 3.37Å; R58-T87 PolarHBondContact NH1-O 3.37Å; R58-T87 PolarHBondContact NH2-O 3.34Å; R58-L88 HydrophobicContact CG-CD2 4Å; R58-E92 IonicContact CZ-OE2 3.85Å; R58-E92 IonicContact NE-OE1 3.52Å; R58-E92 IonicContact NE-OE2 3.67Å; R58-E92 PolarHBondContact NE-OE2 2.88Å; R58-E92 IonicContact NH2-OE2 2.8Å; R58-E92 PolarHBondContact NH2-OE2 3.47Å
59	G	93.2	Very high	94.7	Very high	55 Å²	55	37.1 Å²	37.1	57%	0.567	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-33.9	-174.3	0	0	0	0	0	114	H55	H55-G59 CarbonylContact O-C 3.58Å; H55-G59 WeakPolarHBondContact O-CA 3.3Å; H55-G59 PolarHBondContact O-N 3Å
60	C	95.3	Very high	94.8	Very high	49 Å²	49	37.1 Å²	37.1	33%	0.331	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-5.1	-175.2	-46.8	0	0	0	0	114.1	H55 L56 Y62	H55-C60 VanDerWaalsContact CD2-SG 3.6Å; H55-C60 PolarHBondContact O-N 3.09Å; L56-C60 CarbonylContact O-C 3.56Å; L56-C60 WeakPolarHBondContact O-CB 3.18Å; L56-C60 PolarHBondContact O-N 3.46Å; C60-Y62 VanDerWaalsContact C-N 3.34Å; C60-Y62 HydrophobicContact CB-CD2 3.99Å; C60-Y62 HydrophobicContact CB-CE2 4.37Å; C60-Y62 PolarHBondContact O-N 3.01Å
61	G	93.6	Very high	94.6	Very high	64 Å²	64	36.8 Å²	36.8	66%	0.66	20%	0.2	S	C	*	.			trans	74.7	16.6	177.7	0	0	0	0	0	115.1	L56 I57	L56-G61 PolarHBondContact O-N 3.39Å; I57-G61 PolarHBondContact O-N 2.98Å
62	Y	95.3	Very high	94	Very high	54 Å²	54	36.9 Å²	36.9	21%	0.212	20%	0.198	C	C	.	.			trans	-65.8	142.6	170.5	-82.5	-97.4	0	0	0	110.6	L56 I57 C60 I67 R226 Y227	L56-Y62 HydrophobicContact CB-CD2 4.23Å; L56-Y62 HydrophobicContact CB-CG 4.45Å; L56-Y62 HydrophobicContact CD2-CD2 3.67Å; L56-Y62 HydrophobicContact CD2-CE2 3.71Å; L56-Y62 HydrophobicContact CD2-CG 4.38Å; L56-Y62 WeakPolarHBondContact O-CB 3.4Å; L56-Y62 PolarHBondContact O-N 3.19Å; I57-Y62 WeakPolarHBondContact CA-O 3.27Å; C60-Y62 VanDerWaalsContact C-N 3.34Å; C60-Y62 HydrophobicContact CB-CD2 3.99Å; C60-Y62 HydrophobicContact CB-CE2 4.37Å; C60-Y62 PolarHBondContact O-N 3.01Å; Y62-I67 HydrophobicContact CD1-CG1 4.45Å; Y62-R226 HydrophobicContact CD1-CB 4.44Å; Y62-R226 HydrophobicContact CE1-CB 3.96Å; Y62-Y227 HydrophobicContact CE1-CD2 4.45Å
63	Q	93.5	Very high	93.1	Very high	93 Å²	93	39.9 Å²	39.9	44%	0.435	22%	0.217	S	C	.	.			trans	-84.9	136.2	169	-63.7	174.5	-4.2	0	0	109.2	R65 H66	Q63-R65 HydrophobicContact CB-CG 4.27Å; Q63-R65 PolarHBondContact O-N 3.04Å; Q63-R65 VanDerWaalsContact O-N 3.17Å; Q63-H66 PolarHBondContact O-N 3.25Å; Q63-H66 PolarHBondContact OE1-CE1 3.28Å; Q63-H66 VanDerWaalsContact OE1-CE1 3.22Å
64	A	93	Very high	92	Very high	9 Å²	9	41 Å²	41	7%	0.074	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-53.9	-38.9	-177.3	0	0	0	0	0	113.6	I57 H66 I67 E92 L96	I57-A64 HydrophobicContact CD1-CB 3.74Å; I57-A64 HydrophobicContact CG1-CB 4.45Å; A64-H66 PolarHBondContact O-N 3.03Å; A64-I67 PolarHBondContact O-N 3.42Å; A64-E92 WeakPolarHBondContact CB-O 3.24Å; A64-L96 HydrophobicContact CB-CB 4.33Å; A64-L96 WeakPolarHBondContact O-CA 3.49Å
65	R	93.5	Very high	91.1	Very high	142 Å²	142	44 Å²	44	54%	0.536	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-61.2	-8.9	175.4	71.1	169.6	179.1	-109.6	9.3	115.8	Q63 G95 M97	Q63-R65 HydrophobicContact CB-CG 4.27Å; Q63-R65 PolarHBondContact O-N 3.04Å; Q63-R65 VanDerWaalsContact O-N 3.17Å; R65-G95 WeakPolarHBondContact CA-O 3.48Å; R65-M97 WeakPolarHBondContact O-CE 3.39Å
66	H	96	Very high	90.3	Very high	27 Å²	27	42.7 Å²	42.7	13%	0.125	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-108.5	5.9	177.5	-59.8	133.7	0	0	0	113.7	Q63 A64 K224 R226 Y227	Q63-H66 PolarHBondContact O-N 3.25Å; Q63-H66 PolarHBondContact OE1-CE1 3.28Å; Q63-H66 VanDerWaalsContact OE1-CE1 3.22Å; A64-H66 PolarHBondContact O-N 3.03Å; H66-K224 WeakPolarHBondContact CA-O 3.25Å; H66-K224 PolarHBondContact CD2-O 3.48Å; H66-R226 HydrophobicContact CB-CB 4Å; H66-R226 HydrophobicContact CB-CG 3.88Å; H66-R226 PolarHBondContact O-N 2.92Å; H66-Y227 PolarHBondContact O-N 3.37Å
67	I	96.8	Very high	89.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.2	178.2	-57.4	168.7	0	0	0	107.9	I53 L56 I57 Y62 A64 L96 M97 Y227 L229	I53-I67 HydrophobicContact CG1-CG2 4.45Å; L56-I67 HydrophobicContact CB-CD1 3.81Å; L56-I67 HydrophobicContact CD1-CD1 4.32Å; I57-I67 HydrophobicContact CD1-CD1 3.99Å; I57-I67 HydrophobicContact CG1-CD1 3.56Å; Y62-I67 HydrophobicContact CD1-CG1 4.45Å; A64-I67 PolarHBondContact O-N 3.42Å; I67-L96 HydrophobicContact CB-CD1 3.58Å; I67-L96 HydrophobicContact CG2-CD1 3.73Å; I67-L96 WeakPolarHBondContact O-CD1 3.21Å; I67-M97 PolarHBondContact O-N 3.24Å; I67-M97 VanDerWaalsContact O-N 3.15Å; I67-Y227 WeakPolarHBondContact CA-O 3.49Å; I67-L229 HydrophobicContact CG2-CD1 3.63Å
68	A	97.2	Very high	89.1	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.008	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	136.4	169.9	0	0	0	0	0	110.1	M97 I225 Y227 L228 L229	A68-M97 CarbonylContact C-O 3.52Å; A68-M97 VanDerWaalsContact CA-O 3.28Å; A68-M97 WeakPolarHBondContact CA-O 3.48Å; A68-M97 HydrophobicContact CB-CB 4.01Å; A68-I225 HydrophobicContact CB-CD1 4.05Å; A68-I225 HydrophobicContact CB-CG1 4.17Å; A68-I225 HydrophobicContact CB-CG2 3.76Å; A68-Y227 PolarHBondContact N-O 3.22Å; A68-L228 HydrophobicContact CB-CD1 3.89Å; A68-L228 CarbonylContact O-C 3.57Å; A68-L228 WeakPolarHBondContact O-CA 3.29Å; A68-L229 PolarHBondContact O-N 2.86Å
69	A	96.4	Very high	88.5	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.008	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	115.1	171.4	0	0	0	0	0	108.8	I53 M80 M97 I98 S99 L229	I53-A69 HydrophobicContact CD1-CB 3.91Å; A69-M80 HydrophobicContact CB-SD 3.72Å; A69-M97 PolarHBondContact N-O 2.83Å; A69-I98 HydrophobicContact CB-CG1 4.28Å; A69-I98 WeakPolarHBondContact O-CA 3.27Å; A69-S99 PolarHBondContact O-N 3.31Å; A69-S99 VanDerWaalsContact O-N 3.08Å; A69-L229 CarbonylContact C-O 3.44Å; A69-L229 WeakPolarHBondContact CA-O 3.49Å; A69-L229 HydrophobicContact CB-CB 4.22Å
70	V	95.2	Very high	88.2	Confident	3 Å²	3	41.9 Å²	41.9	2%	0.018	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	131	-173.9	-176.7	0	0	0	0	109.9	S99 F101 L104 L228 L229 V230 D231	V70-S99 CarbonylContact C-O 3.6Å; V70-S99 VanDerWaalsContact CA-O 3.27Å; V70-S99 WeakPolarHBondContact CA-O 3.44Å; V70-F101 HydrophobicContact CG1-CB 4.23Å; V70-F101 HydrophobicContact CG1-CD1 3.83Å; V70-F101 HydrophobicContact CG1-CD2 3.46Å; V70-F101 VanDerWaalsContact CG1-CD2 3.46Å; V70-F101 HydrophobicContact CG1-CE1 4Å; V70-F101 HydrophobicContact CG1-CE2 3.64Å; V70-F101 HydrophobicContact CG1-CG 3.56Å; V70-F101 HydrophobicContact CG1-CZ 3.92Å; V70-L104 HydrophobicContact CG2-CD2 3.72Å; V70-L228 HydrophobicContact CG2-CD1 3.78Å; V70-L229 PolarHBondContact N-O 3.41Å; V70-V230 HydrophobicContact CB-CG1 4.49Å; V70-V230 WeakPolarHBondContact O-CA 3.17Å; V70-D231 PolarHBondContact O-N 2.83Å
71	T	89.7	Confident	87.8	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	169.2	177.2	65.5	0	0	0	0	111.6	T73 A76 A77 M80 S99 T100 F101 D231	T71-T73 PolarHBondContact OG1-O 3.4Å; T71-A76 HydrophobicContact CG2-CB 4.16Å; T71-A77 WeakPolarHBondContact OG1-CB 3.18Å; T71-A77 PolarHBondContact OG1-N 2.92Å; T71-M80 HydrophobicContact CG2-CE 3.56Å; T71-M80 HydrophobicContact CG2-SD 4.26Å; T71-S99 PolarHBondContact N-O 2.92Å; T71-T100 WeakPolarHBondContact O-CA 3.43Å; T71-F101 PolarHBondContact O-N 2.81Å; T71-D231 HydrophobicContact CG2-CB 4.23Å
72	F	81.3	Confident	87.3	Confident	48 Å²	48	45.8 Å²	45.8	21%	0.211	21%	0.211	C	C	.	.	S	Bend	trans	-80.4	-38.4	174.6	-99.1	-96	0	0	0	113.7	F101 E232 D235 T236 M557	F72-F101 HydrophobicContact CE2-CD2 4.32Å; F72-F101 HydrophobicContact CE2-CE2 4.05Å; F72-E232 HydrophobicContact CD2-CB 4.09Å; F72-E232 WeakPolarHBondContact CE2-O 3.38Å; F72-D235 HydrophobicContact CD1-CB 4.18Å; F72-D235 HydrophobicContact CD2-CB 4.16Å; F72-D235 HydrophobicContact CE1-CB 3.71Å; F72-D235 HydrophobicContact CE2-CB 3.69Å; F72-D235 HydrophobicContact CG-CB 4.4Å; F72-D235 HydrophobicContact CZ-CB 3.46Å; F72-D235 VanDerWaalsContact CZ-CB 3.46Å; F72-D235 WeakPolarHBondContact CZ-O 3.39Å; F72-T236 HydrophobicContact CE2-CG2 4.1Å; F72-T236 HydrophobicContact CZ-CG2 4.35Å; F72-M557 WeakPolarHBondContact O-CE 3.33Å
73	T	76.2	Confident	87	Confident	64 Å²	64	48 Å²	48	39%	0.393	22%	0.219	S	C	.	.	S	Bend	trans	-116.3	153	-174.5	72.5	0	0	0	0	112.5	T71 K75 A76 A77 T100	T71-T73 PolarHBondContact OG1-O 3.4Å; T73-K75 VanDerWaalsContact C-N 3.33Å; T73-A76 PolarHBondContact O-N 2.96Å; T73-A76 VanDerWaalsContact OG1-CB 3.32Å; T73-A76 WeakPolarHBondContact OG1-CB 3.33Å; T73-A76 PolarHBondContact OG1-N 3.19Å; T73-A76 VanDerWaalsContact OG1-N 3.13Å; T73-A77 PolarHBondContact O-N 3.32Å; T73-A77 VanDerWaalsContact O-N 3.09Å; T73-T100 WeakPolarHBondContact O-CG2 3.46Å
74	N	73.1	Confident	86.7	Confident	23 Å²	23	43.6 Å²	43.6	12%	0.123	20%	0.199	C	C	.	.	H	α-helix	trans	-65.2	-37.8	176.6	-77.6	-29.3	0	0	0	111.4	A76 A77 R78 T100 M557	N74-A76 PolarHBondContact O-N 3.37Å; N74-A77 WeakPolarHBondContact O-CB 3.44Å; N74-A77 PolarHBondContact O-N 3.43Å; N74-R78 WeakPolarHBondContact O-CB 3.5Å; N74-R78 PolarHBondContact O-N 3.46Å; N74-T100 VanDerWaalsContact OD1-CG2 3.31Å; N74-T100 WeakPolarHBondContact OD1-CG2 3.23Å; N74-M557 WeakPolarHBondContact ND2-CB 3.49Å
75	K	74	Confident	86.3	Confident	73 Å²	73	44.4 Å²	44.4	32%	0.317	21%	0.208	S	C	.	.	H	α-helix	trans	-56.8	-48.5	171.9	178.5	176.8	177.7	-179.2	0	112.3	T73 A77 R78 E79 E561	T73-K75 VanDerWaalsContact C-N 3.33Å; K75-A77 VanDerWaalsContact C-N 3.3Å; K75-A77 PolarHBondContact O-N 3.21Å; K75-R78 PolarHBondContact O-N 3.24Å; K75-E79 WeakPolarHBondContact CE-OE1 3.48Å; K75-E79 HydrophobicContact CG-CG 4.45Å; K75-E79 IonicContact NZ-OE1 3.5Å; K75-E79 PolarHBondContact O-N 3.48Å; K75-E561 WeakPolarHBondContact CB-OE1 3.36Å
76	A	79.4	Confident	86	Confident	29 Å²	29	45.2 Å²	45.2	24%	0.24	22%	0.218	C	C	.	.	H	α-helix	trans	-61.3	-40.5	177.6	0	0	0	0	0	111.7	T71 T73 N74 M80	T71-A76 HydrophobicContact CG2-CB 4.16Å; T73-A76 PolarHBondContact O-N 2.96Å; T73-A76 VanDerWaalsContact OG1-CB 3.32Å; T73-A76 WeakPolarHBondContact OG1-CB 3.33Å; T73-A76 PolarHBondContact OG1-N 3.19Å; T73-A76 VanDerWaalsContact OG1-N 3.13Å; N74-A76 PolarHBondContact O-N 3.37Å; A76-M80 WeakPolarHBondContact O-CB 3.45Å; A76-M80 PolarHBondContact O-N 2.74Å
77	A	83.7	Confident	85.5	Confident	9 Å²	9	46.5 Å²	46.5	7%	0.074	23%	0.228	C	C	.	.	H	α-helix	trans	-62.5	-43.8	174.9	0	0	0	0	0	111.8	T71 T73 N74 K75 M80 K81 I98	T71-A77 WeakPolarHBondContact OG1-CB 3.18Å; T71-A77 PolarHBondContact OG1-N 2.92Å; T73-A77 PolarHBondContact O-N 3.32Å; T73-A77 VanDerWaalsContact O-N 3.09Å; N74-A77 WeakPolarHBondContact O-CB 3.44Å; N74-A77 PolarHBondContact O-N 3.43Å; K75-A77 VanDerWaalsContact C-N 3.3Å; K75-A77 PolarHBondContact O-N 3.21Å; A77-M80 PolarHBondContact O-N 3.41Å; A77-K81 WeakPolarHBondContact O-CB 3.2Å; A77-K81 PolarHBondContact O-N 2.69Å; A77-I98 HydrophobicContact CB-CG2 4.14Å; A77-I98 VanDerWaalsContact O-CG2 3.3Å; A77-I98 WeakPolarHBondContact O-CG2 3.48Å
78	R	81.3	Confident	84.9	Confident	122 Å²	122	46.8 Å²	46.8	46%	0.46	23%	0.229	S	C	.	.	H	α-helix	trans	-66.6	-49.6	179.5	-175.2	179.2	171.7	-175.2	-7.6	112	N74 K75 M80 K81 E82 E563	N74-R78 WeakPolarHBondContact O-CB 3.5Å; N74-R78 PolarHBondContact O-N 3.46Å; K75-R78 PolarHBondContact O-N 3.24Å; R78-M80 VanDerWaalsContact C-N 3.28Å; R78-M80 PolarHBondContact O-N 3.43Å; R78-K81 WeakPolarHBondContact O-CB 3.45Å; R78-K81 PolarHBondContact O-N 2.96Å; R78-K81 VanDerWaalsContact O-N 3.11Å; R78-E82 IonicContact NE-OE1 3.04Å; R78-E82 PolarHBondContact NE-OE1 2.81Å; R78-E82 IonicContact NH2-OE1 3.55Å; R78-E82 PolarHBondContact O-N 3.15Å; R78-E563 IonicContact CZ-OE1 3Å; R78-E563 VanDerWaalsContact CZ-OE1 3.31Å; R78-E563 IonicContact CZ-OE2 2.74Å; R78-E563 IonicContact NE-OE1 2.74Å; R78-E563 IonicContact NH1-OE1 3.15Å; R78-E563 PolarHBondContact NH1-OE1 3.15Å; R78-E563 IonicContact NH1-OE2 2.77Å; R78-E563 PolarHBondContact NH1-OE2 3.24Å; R78-E563 IonicContact NH2-OE1 2.92Å; R78-E563 IonicContact NH2-OE2 2.65Å; R78-E563 PolarHBondContact NH2-OE2 3.08Å
79	E	81.7	Confident	84.1	Confident	66 Å²	66	48.2 Å²	48.2	31%	0.308	24%	0.244	S	C	.	.	H	α-helix	trans	-58.6	-42.1	176.1	-76.6	-169.9	-155	0	0	111.4	K75 E82 R83	K75-E79 WeakPolarHBondContact CE-OE1 3.48Å; K75-E79 HydrophobicContact CG-CG 4.45Å; K75-E79 IonicContact NZ-OE1 3.5Å; K75-E79 PolarHBondContact O-N 3.48Å; E79-E82 PolarHBondContact O-N 3.48Å; E79-R83 WeakPolarHBondContact O-CB 3.44Å; E79-R83 WeakPolarHBondContact O-CG 3.23Å; E79-R83 PolarHBondContact O-N 2.67Å; E79-R83 IonicContact OE2-CZ 2.85Å; E79-R83 IonicContact OE2-NH2 3.85Å; E79-R83 PolarHBondContact OE2-NH2 2.89Å
80	M	86.4	Confident	83.1	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-63.6	-43.2	176	-172.3	-179.4	-62.8	0	0	111.1	I49 T50 I53 A69 T71 A76 A77 R78 E82 R83 V84 I98 D231	I49-M80 HydrophobicContact CB-CE 4.39Å; I49-M80 HydrophobicContact CD1-CE 4.09Å; I49-M80 HydrophobicContact CG2-CE 3.74Å; I49-M80 HydrophobicContact CG2-SD 3.73Å; T50-M80 HydrophobicContact CG2-CG 4.32Å; I53-M80 HydrophobicContact CD1-SD 4.43Å; A69-M80 HydrophobicContact CB-SD 3.72Å; T71-M80 HydrophobicContact CG2-CE 3.56Å; T71-M80 HydrophobicContact CG2-SD 4.26Å; A76-M80 WeakPolarHBondContact O-CB 3.45Å; A76-M80 PolarHBondContact O-N 2.74Å; A77-M80 PolarHBondContact O-N 3.41Å; R78-M80 VanDerWaalsContact C-N 3.28Å; R78-M80 PolarHBondContact O-N 3.43Å; M80-E82 PolarHBondContact O-N 3.5Å; M80-R83 PolarHBondContact O-N 3.1Å; M80-V84 HydrophobicContact CG-CG2 4.41Å; M80-V84 WeakPolarHBondContact O-CB 3.15Å; M80-V84 VanDerWaalsContact O-CG2 3.27Å; M80-V84 WeakPolarHBondContact O-CG2 3.44Å; M80-V84 PolarHBondContact O-N 3.12Å; M80-I98 HydrophobicContact CB-CG2 4.12Å; M80-I98 HydrophobicContact CG-CD1 4.27Å; M80-I98 HydrophobicContact CG-CG2 4.24Å; M80-I98 HydrophobicContact SD-CG2 4.08Å; M80-D231 HydrophobicContact CE-CB 4.36Å
81	K	86	Confident	82.4	Confident	96 Å²	96	63.9 Å²	63.9	42%	0.417	31%	0.308	S	S	.	.	H	α-helix	trans	-61.1	-43.6	176.6	-168.6	178.4	179.4	-171.9	0	111.8	A77 R78 G85 I98 D539	A77-K81 WeakPolarHBondContact O-CB 3.2Å; A77-K81 PolarHBondContact O-N 2.69Å; R78-K81 WeakPolarHBondContact O-CB 3.45Å; R78-K81 PolarHBondContact O-N 2.96Å; R78-K81 VanDerWaalsContact O-N 3.11Å; K81-G85 PolarHBondContact O-N 2.65Å; K81-I98 HydrophobicContact CB-CD1 3.97Å; K81-I98 HydrophobicContact CG-CD1 4.33Å; K81-D539 IonicContact NZ-OD1 3.65Å; K81-D539 PolarHBondContact NZ-OD1 2.99Å; K81-D539 IonicContact NZ-OD2 2.85Å
82	E	84.7	Confident	82	Confident	98 Å²	98	67.5 Å²	67.5	46%	0.458	33%	0.325	S	S	.	.	H	α-helix	trans	-63.7	-49.4	175.7	-76.1	176.9	-172	0	0	111.9	R78 E79 M80 V84 G85 Q86	R78-E82 IonicContact NE-OE1 3.04Å; R78-E82 PolarHBondContact NE-OE1 2.81Å; R78-E82 IonicContact NH2-OE1 3.55Å; R78-E82 PolarHBondContact O-N 3.15Å; E79-E82 PolarHBondContact O-N 3.48Å; M80-E82 PolarHBondContact O-N 3.5Å; E82-V84 PolarHBondContact O-N 3.44Å; E82-G85 PolarHBondContact O-N 3.28Å; E82-Q86 WeakPolarHBondContact O-CG 3.44Å; E82-Q86 PolarHBondContact O-N 3.4Å
83	R	87.2	Confident	82	Confident	100 Å²	100	66.3 Å²	66.3	38%	0.377	32%	0.324	S	S	.	.	H	α-helix	trans	-62	-41.3	179.9	-69.8	173.9	-164.7	-152.6	11.1	112.5	T50 E79 M80 T87	T50-R83 HydrophobicContact CG2-CB 3.72Å; E79-R83 WeakPolarHBondContact O-CB 3.44Å; E79-R83 WeakPolarHBondContact O-CG 3.23Å; E79-R83 PolarHBondContact O-N 2.67Å; E79-R83 IonicContact OE2-CZ 2.85Å; E79-R83 IonicContact OE2-NH2 3.85Å; E79-R83 PolarHBondContact OE2-NH2 2.89Å; M80-R83 PolarHBondContact O-N 3.1Å; R83-T87 PolarHBondContact O-N 3.2Å; R83-T87 PolarHBondContact O-OG1 2.72Å
84	V	88	Confident	82.2	Confident	1 Å²	1	71.8 Å²	71.8	1%	0.006	34%	0.338	C	S	.	.	H	α-helix	trans	-66.6	-43.7	174.8	174.8	0	0	0	0	110.4	T50 I53 M80 E82 Q86 T87 L88 L96 I98	T50-V84 HydrophobicContact CG2-CG2 3.97Å; I53-V84 HydrophobicContact CB-CG2 4.49Å; I53-V84 HydrophobicContact CD1-CG2 3.96Å; I53-V84 HydrophobicContact CG2-CG1 4.03Å; I53-V84 HydrophobicContact CG2-CG2 4.44Å; M80-V84 HydrophobicContact CG-CG2 4.41Å; M80-V84 WeakPolarHBondContact O-CB 3.15Å; M80-V84 VanDerWaalsContact O-CG2 3.27Å; M80-V84 WeakPolarHBondContact O-CG2 3.44Å; M80-V84 PolarHBondContact O-N 3.12Å; E82-V84 PolarHBondContact O-N 3.44Å; V84-Q86 VanDerWaalsContact C-N 3.3Å; V84-Q86 PolarHBondContact O-N 3.17Å; V84-T87 PolarHBondContact O-N 3.31Å; V84-L88 HydrophobicContact CG1-CD1 3.68Å; V84-L88 HydrophobicContact CG1-CG 4.34Å; V84-L88 PolarHBondContact O-N 3.3Å; V84-L96 HydrophobicContact CB-CD2 4.43Å; V84-L96 HydrophobicContact CG1-CD2 3.66Å; V84-I98 HydrophobicContact CB-CD1 4.33Å; V84-I98 HydrophobicContact CG2-CD1 4.23Å
85	G	85.5	Confident	82.7	Confident	26 Å²	26	72.8 Å²	72.8	27%	0.268	35%	0.353	S	S	.	.	H	α-helix	trans	-58.6	-39.2	177.2	0	0	0	0	0	113.1	K81 E82 T87 G89	K81-G85 PolarHBondContact O-N 2.65Å; E82-G85 PolarHBondContact O-N 3.28Å; G85-T87 VanDerWaalsContact C-N 3.31Å; G85-T87 PolarHBondContact O-N 2.67Å; G85-G89 WeakPolarHBondContact O-CA 3.09Å; G85-G89 PolarHBondContact O-N 2.88Å
86	Q	85.8	Confident	83.6	Confident	159 Å²	159	70.4 Å²	70.4	74%	0.743	34%	0.344	S	S	*	.	H	α-helix	trans	-66.2	-31.7	174.4	-70.8	172.5	10.6	0	0	112.9	E82 V84	E82-Q86 WeakPolarHBondContact O-CG 3.44Å; E82-Q86 PolarHBondContact O-N 3.4Å; V84-Q86 VanDerWaalsContact C-N 3.3Å; V84-Q86 PolarHBondContact O-N 3.17Å
87	T	86.1	Confident	84.2	Confident	54 Å²	54	70.8 Å²	70.8	33%	0.331	34%	0.341	S	S	.	.	H	α-helix	trans	-85.7	-45.5	-175.6	-54.7	0	0	0	0	112.6	A54 R58 R83 V84 G85	A54-T87 HydrophobicContact CB-CG2 3.94Å; R58-T87 PolarHBondContact NH1-O 3.37Å; R58-T87 PolarHBondContact NH2-O 3.34Å; R83-T87 PolarHBondContact O-N 3.2Å; R83-T87 PolarHBondContact O-OG1 2.72Å; V84-T87 PolarHBondContact O-N 3.31Å; G85-T87 VanDerWaalsContact C-N 3.31Å; G85-T87 PolarHBondContact O-N 2.67Å
88	L	83.5	Confident	84.7	Confident	6 Å²	6	71.5 Å²	71.5	3%	0.031	34%	0.343	C	S	.	.	H	α-helix	trans	-92.2	-19.9	-175.8	-74.3	178.9	0	0	0	112.9	I53 A54 I57 R58 V84 E92 A93	I53-L88 HydrophobicContact CG2-CD1 4.24Å; A54-L88 HydrophobicContact CB-CD1 4.39Å; A54-L88 HydrophobicContact CB-CD2 3.78Å; A54-L88 HydrophobicContact CB-CG 3.98Å; I57-L88 HydrophobicContact CD1-CD1 3.44Å; I57-L88 VanDerWaalsContact CD1-CD1 3.44Å; R58-L88 HydrophobicContact CG-CD2 4Å; V84-L88 HydrophobicContact CG1-CD1 3.68Å; V84-L88 HydrophobicContact CG1-CG 4.34Å; V84-L88 PolarHBondContact O-N 3.3Å; L88-E92 HydrophobicContact CB-CB 3.99Å; L88-E92 HydrophobicContact CD2-CB 4.47Å; L88-E92 WeakPolarHBondContact O-CB 3.39Å; L88-A93 HydrophobicContact CB-CB 4.39Å
89	G	81.3	Confident	85.2	Confident	32 Å²	32	66.4 Å²	66.4	33%	0.33	33%	0.326	S	S	.	.	H	α-helix	trans	69.8	164.6	-169.3	0	0	0	0	0	112.3	G85 K91 E92 A93	G85-G89 WeakPolarHBondContact O-CA 3.09Å; G85-G89 PolarHBondContact O-N 2.88Å; G89-K91 PolarHBondContact O-N 2.97Å; G89-E92 PolarHBondContact O-N 3.03Å; G89-A93 WeakPolarHBondContact O-CB 3.19Å; G89-A93 PolarHBondContact O-N 3.2Å; G89-A93 VanDerWaalsContact O-N 3.12Å
90	R	74.8	Confident	85.6	Confident	132 Å²	132	63.3 Å²	63.3	50%	0.498	31%	0.312	S	S	.	.	H	α-helix	trans	-60.5	-39.3	-167.7	-129.4	-178.2	-169.8	163.1	11.2	114.4	R94 E537 L538	R90-R94 PolarHBondContact O-N 2.89Å; R90-E537 IonicContact CZ-OE2 3.66Å; R90-E537 VanDerWaalsContact CZ-OE2 3.28Å; R90-E537 IonicContact NH1-OE2 2.72Å; R90-E537 PolarHBondContact NH1-OE2 3.44Å; R90-E537 IonicContact NH2-OE2 3.1Å; R90-E537 PolarHBondContact NH2-OE2 3.3Å; R90-L538 HydrophobicContact CG-CD2 3.8Å
91	K	80.7	Confident	85.9	Confident	200 Å²	200	63.4 Å²	63.4	87%	0.87	31%	0.312	S	S	*	.	H	α-helix	trans	-71.6	-42.3	-176.1	-70.8	-172.9	180	-178.7	0	112.3	G89	G89-K91 PolarHBondContact O-N 2.97Å
92	E	82.3	Confident	86.2	Confident	78 Å²	78	59.8 Å²	59.8	36%	0.364	30%	0.297	S	S	.	.	H	α-helix	trans	-75.2	-33.8	-178.9	-61	-172.9	131.1	0	0	111.5	R58 A64 L88 G89 R94	R58-E92 IonicContact CZ-OE2 3.85Å; R58-E92 IonicContact NE-OE1 3.52Å; R58-E92 IonicContact NE-OE2 3.67Å; R58-E92 PolarHBondContact NE-OE2 2.88Å; R58-E92 IonicContact NH2-OE2 2.8Å; R58-E92 PolarHBondContact NH2-OE2 3.47Å; A64-E92 WeakPolarHBondContact CB-O 3.24Å; L88-E92 HydrophobicContact CB-CB 3.99Å; L88-E92 HydrophobicContact CD2-CB 4.47Å; L88-E92 WeakPolarHBondContact O-CB 3.39Å; G89-E92 PolarHBondContact O-N 3.03Å; E92-R94 VanDerWaalsContact C-N 3.28Å; E92-R94 PolarHBondContact O-N 2.95Å
93	A	81.1	Confident	86.5	Confident	22 Å²	22	56.3 Å²	56.3	18%	0.182	28%	0.282	C	S	.	.	H	α-helix	trans	-77.5	-9.8	177.4	0	0	0	0	0	113.9	L88 G89 G95 L96	L88-A93 HydrophobicContact CB-CB 4.39Å; G89-A93 WeakPolarHBondContact O-CB 3.19Å; G89-A93 PolarHBondContact O-N 3.2Å; G89-A93 VanDerWaalsContact O-N 3.12Å; A93-G95 PolarHBondContact O-N 3.35Å; A93-L96 VanDerWaalsContact O-CB 3.24Å; A93-L96 WeakPolarHBondContact O-CB 3.5Å; A93-L96 PolarHBondContact O-N 2.99Å; A93-L96 VanDerWaalsContact O-N 3.17Å
94	R	80.8	Confident	86.8	Confident	180 Å²	180	51.9 Å²	51.9	68%	0.679	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	128.1	-174.9	-171.8	176.9	179.7	177.9	1.7	111.1	R90 E92 L96 E540	R90-R94 PolarHBondContact O-N 2.89Å; E92-R94 VanDerWaalsContact C-N 3.28Å; E92-R94 PolarHBondContact O-N 2.95Å; R94-L96 VanDerWaalsContact C-N 3.3Å; R94-E540 IonicContact NH2-OE1 2.71Å; R94-E540 PolarHBondContact NH2-OE1 3.41Å
95	G	83.7	Confident	87.2	Confident	43 Å²	43	51.8 Å²	51.8	44%	0.443	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	-1.1	178.7	0	0	0	0	0	114.8	R65 A93 M97	R65-G95 WeakPolarHBondContact CA-O 3.48Å; A93-G95 PolarHBondContact O-N 3.35Å; G95-M97 PolarHBondContact O-N 3.29Å
96	L	91	Very high	87.6	Confident	24 Å²	24	51 Å²	51	13%	0.126	26%	0.255	C	S	.	.			trans	-60.5	130.8	172.1	-175.3	68.7	0	0	0	110.7	I53 A64 I67 V84 A93 R94 I98	I53-L96 HydrophobicContact CG2-CD1 3.97Å; I53-L96 HydrophobicContact CG2-CD2 3.75Å; A64-L96 HydrophobicContact CB-CB 4.33Å; A64-L96 WeakPolarHBondContact O-CA 3.49Å; I67-L96 HydrophobicContact CB-CD1 3.58Å; I67-L96 HydrophobicContact CG2-CD1 3.73Å; I67-L96 WeakPolarHBondContact O-CD1 3.21Å; V84-L96 HydrophobicContact CB-CD2 4.43Å; V84-L96 HydrophobicContact CG1-CD2 3.66Å; A93-L96 VanDerWaalsContact O-CB 3.24Å; A93-L96 WeakPolarHBondContact O-CB 3.5Å; A93-L96 PolarHBondContact O-N 2.99Å; A93-L96 VanDerWaalsContact O-N 3.17Å; R94-L96 VanDerWaalsContact C-N 3.3Å; L96-I98 HydrophobicContact CD2-CD1 3.47Å; L96-I98 VanDerWaalsContact CD2-CD1 3.47Å; L96-I98 HydrophobicContact CD2-CG1 3.7Å; L96-I98 HydrophobicContact CG-CD1 4.17Å; L96-I98 HydrophobicContact CG-CG1 3.85Å; L96-I98 PolarHBondContact O-N 3.13Å
97	M	93.7	Very high	87.9	Confident	36 Å²	36	46 Å²	46	18%	0.177	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	87.6	-178.8	-63.2	168.3	-152	0	0	109.6	R65 I67 A68 A69 G95 K224 I225	R65-M97 WeakPolarHBondContact O-CE 3.39Å; I67-M97 PolarHBondContact O-N 3.24Å; I67-M97 VanDerWaalsContact O-N 3.15Å; A68-M97 CarbonylContact C-O 3.52Å; A68-M97 VanDerWaalsContact CA-O 3.28Å; A68-M97 WeakPolarHBondContact CA-O 3.48Å; A68-M97 HydrophobicContact CB-CB 4.01Å; A69-M97 PolarHBondContact N-O 2.83Å; G95-M97 PolarHBondContact O-N 3.29Å; M97-K224 HydrophobicContact CE-CD 4.11Å; M97-K224 HydrophobicContact CE-CG 3.78Å; M97-I225 HydrophobicContact SD-CG1 4.4Å
98	I	93.1	Very high	88.4	Confident	24 Å²	24	43.5 Å²	43.5	12%	0.123	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	115.6	170.7	-55.6	174	0	0	0	108.1	A69 A77 M80 K81 V84 L96	A69-I98 HydrophobicContact CB-CG1 4.28Å; A69-I98 WeakPolarHBondContact O-CA 3.27Å; A77-I98 HydrophobicContact CB-CG2 4.14Å; A77-I98 VanDerWaalsContact O-CG2 3.3Å; A77-I98 WeakPolarHBondContact O-CG2 3.48Å; M80-I98 HydrophobicContact CB-CG2 4.12Å; M80-I98 HydrophobicContact CG-CD1 4.27Å; M80-I98 HydrophobicContact CG-CG2 4.24Å; M80-I98 HydrophobicContact SD-CG2 4.08Å; K81-I98 HydrophobicContact CB-CD1 3.97Å; K81-I98 HydrophobicContact CG-CD1 4.33Å; V84-I98 HydrophobicContact CB-CD1 4.33Å; V84-I98 HydrophobicContact CG2-CD1 4.23Å; L96-I98 HydrophobicContact CD2-CD1 3.47Å; L96-I98 VanDerWaalsContact CD2-CD1 3.47Å; L96-I98 HydrophobicContact CD2-CG1 3.7Å; L96-I98 HydrophobicContact CG-CD1 4.17Å; L96-I98 HydrophobicContact CG-CG1 3.85Å; L96-I98 PolarHBondContact O-N 3.13Å
99	S	91.6	Very high	88.9	Confident	16 Å²	16	43.2 Å²	43.2	11%	0.112	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	172.1	-173.5	72.5	0	0	0	0	112.2	A69 V70 T71	A69-S99 PolarHBondContact O-N 3.31Å; A69-S99 VanDerWaalsContact O-N 3.08Å; V70-S99 CarbonylContact C-O 3.6Å; V70-S99 VanDerWaalsContact CA-O 3.27Å; V70-S99 WeakPolarHBondContact CA-O 3.44Å; T71-S99 PolarHBondContact N-O 2.92Å
100	T	91.1	Very high	89.4	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	165.8	167	61.9	0	0	0	0	111.1	T71 T73 N74 H102 T103 L104 M557	T71-T100 WeakPolarHBondContact O-CA 3.43Å; T73-T100 WeakPolarHBondContact O-CG2 3.46Å; N74-T100 VanDerWaalsContact OD1-CG2 3.31Å; N74-T100 WeakPolarHBondContact OD1-CG2 3.23Å; T100-H102 VanDerWaalsContact C-N 3.29Å; T100-H102 PolarHBondContact O-N 3.24Å; T100-T103 PolarHBondContact O-N 2.83Å; T100-T103 WeakPolarHBondContact OG1-CB 3.1Å; T100-T103 PolarHBondContact OG1-N 2.95Å; T100-T103 PolarHBondContact OG1-OG1 3.44Å; T100-L104 PolarHBondContact O-N 2.98Å; T100-M557 HydrophobicContact CG2-CE 3.6Å; T100-M557 HydrophobicContact CG2-SD 4.44Å
101	F	93	Very high	90.3	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-52.2	-48.2	172.4	-89	-77.9	0	0	0	111.7	V70 T71 F72 T103 L104 G105 I204 V230 T236 Q240 L243 V244	V70-F101 HydrophobicContact CG1-CB 4.23Å; V70-F101 HydrophobicContact CG1-CD1 3.83Å; V70-F101 HydrophobicContact CG1-CD2 3.46Å; V70-F101 VanDerWaalsContact CG1-CD2 3.46Å; V70-F101 HydrophobicContact CG1-CE1 4Å; V70-F101 HydrophobicContact CG1-CE2 3.64Å; V70-F101 HydrophobicContact CG1-CG 3.56Å; V70-F101 HydrophobicContact CG1-CZ 3.92Å; T71-F101 PolarHBondContact O-N 2.81Å; F72-F101 HydrophobicContact CE2-CD2 4.32Å; F72-F101 HydrophobicContact CE2-CE2 4.05Å; F101-T103 PolarHBondContact O-N 3.33Å; F101-L104 PolarHBondContact O-N 3.19Å; F101-G105 PolarHBondContact O-N 3.45Å; F101-I204 HydrophobicContact CB-CD1 3.78Å; F101-I204 WeakPolarHBondContact O-CD1 3.46Å; F101-V230 HydrophobicContact CE2-CG1 3.75Å; F101-V230 HydrophobicContact CZ-CG1 3.65Å; F101-T236 HydrophobicContact CE2-CG2 4.2Å; F101-T236 HydrophobicContact CZ-CG2 4.13Å; F101-Q240 HydrophobicContact CD1-CB 4.17Å; F101-Q240 HydrophobicContact CD1-CG 3.97Å; F101-Q240 HydrophobicContact CD2-CG 4.5Å; F101-Q240 HydrophobicContact CE1-CB 3.92Å; F101-Q240 HydrophobicContact CE1-CG 4.23Å; F101-Q240 HydrophobicContact CG-CG 4.11Å; F101-Q240 HydrophobicContact CZ-CB 4.19Å; F101-L243 HydrophobicContact CD1-CD2 4.46Å; F101-V244 HydrophobicContact CE1-CG2 3.9Å; F101-V244 HydrophobicContact CZ-CG2 4.06Å
102	H	91	Very high	91	Very high	20 Å²	20	35.9 Å²	35.9	9%	0.093	18%	0.176	C	C	.	.	H	α-helix	trans	-65.4	-38	-179.9	-54.4	92.6	0	0	0	112.5	T100 L106 F200 L203 L553	T100-H102 VanDerWaalsContact C-N 3.29Å; T100-H102 PolarHBondContact O-N 3.24Å; H102-L106 WeakPolarHBondContact O-CB 3.29Å; H102-L106 PolarHBondContact O-N 3.1Å; H102-F200 HydrophobicContact CB-CE1 4.33Å; H102-F200 HydrophobicContact CB-CE2 3.9Å; H102-F200 HydrophobicContact CB-CZ 3.72Å; H102-F200 AromaticContact CD2-CD1 3.38Å; H102-F200 WeakPolarHBondContact CD2-CD1 3.34Å; H102-F200 AromaticContact CD2-CE1 3.17Å; H102-F200 WeakPolarHBondContact CD2-CE1 3.49Å; H102-F200 AromaticContact CD2-CE2 4Å; H102-F200 AromaticContact CD2-CG 3.93Å; H102-F200 AromaticContact CD2-CZ 3.49Å; H102-F200 VanDerWaalsContact CD2-CZ 3.49Å; H102-F200 WeakPolarHBondContact CD2-CZ 3.47Å; H102-F200 PolarHBondContact CD2-O 3.38Å; H102-F200 AromaticContact CE1-CD1 3.89Å; H102-F200 AromaticContact CE1-CE1 3.13Å; H102-F200 WeakPolarHBondContact CE1-CE1 3.45Å; H102-F200 AromaticContact CE1-CZ 3.7Å; H102-F200 AromaticContact CG-CD1 3.99Å; H102-F200 AromaticContact CG-CE1 3.32Å; H102-F200 AromaticContact CG-CE2 3.76Å; H102-F200 AromaticContact CG-CZ 3.17Å; H102-F200 AromaticContact ND1-CE1 3.28Å; H102-F200 VanDerWaalsContact ND1-CE1 3.28Å; H102-F200 WeakPolarHBondContact ND1-CE1 3.44Å; H102-F200 AromaticContact ND1-CZ 3.3Å; H102-F200 VanDerWaalsContact ND1-CZ 3.3Å; H102-F200 WeakPolarHBondContact ND1-CZ 3.3Å; H102-F200 AromaticContact NE2-CD1 3.35Å; H102-F200 VanDerWaalsContact NE2-CD1 3.35Å; H102-F200 WeakPolarHBondContact NE2-CD1 3.42Å; H102-F200 AromaticContact NE2-CE1 3.08Å; H102-F200 WeakPolarHBondContact NE2-CE1 3.4Å; H102-F200 AromaticContact NE2-CZ 3.83Å; H102-L203 HydrophobicContact CB-CB 4.49Å; H102-L203 HydrophobicContact CB-CD1 3.99Å; H102-L553 HydrophobicContact CB-CD2 4.43Å
103	T	90.9	Very high	91.5	Very high	26 Å²	26	36.7 Å²	36.7	16%	0.16	18%	0.176	C	C	.	.	H	α-helix	trans	-67.9	-39.4	176	-58.2	0	0	0	0	111.4	T100 F101 D107	T100-T103 PolarHBondContact O-N 2.83Å; T100-T103 WeakPolarHBondContact OG1-CB 3.1Å; T100-T103 PolarHBondContact OG1-N 2.95Å; T100-T103 PolarHBondContact OG1-OG1 3.44Å; F101-T103 PolarHBondContact O-N 3.33Å; T103-D107 PolarHBondContact O-N 3.32Å
104	L	94.8	Very high	91.9	Very high	6 Å²	6	39.2 Å²	39.2	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-65.7	-48.1	175.1	175.9	60	0	0	0	110.8	V70 T100 F101 L106 D107 I108 W221 I225 L247	V70-L104 HydrophobicContact CG2-CD2 3.72Å; T100-L104 PolarHBondContact O-N 2.98Å; F101-L104 PolarHBondContact O-N 3.19Å; L104-L106 VanDerWaalsContact C-N 3.28Å; L104-L106 PolarHBondContact O-N 3.04Å; L104-D107 PolarHBondContact O-N 3.36Å; L104-D107 VanDerWaalsContact O-N 3.08Å; L104-I108 HydrophobicContact CD1-CD1 4.43Å; L104-I108 HydrophobicContact CG-CD1 4.19Å; L104-I108 WeakPolarHBondContact O-CG1 3.43Å; L104-I108 PolarHBondContact O-N 2.65Å; L104-W221 HydrophobicContact CD1-CZ3 4.35Å; L104-I225 HydrophobicContact CD1-CD1 4.19Å; L104-L247 HydrophobicContact CD2-CD1 3.95Å
105	G	95.7	Very high	92.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.8	-39.5	177.7	0	0	0	0	0	112.6	F101 I108 I109 L203 P207	F101-G105 PolarHBondContact O-N 3.45Å; G105-I108 WeakPolarHBondContact O-CB 3.41Å; G105-I108 PolarHBondContact O-N 2.74Å; G105-I109 WeakPolarHBondContact O-CG1 3.45Å; G105-I109 PolarHBondContact O-N 3.22Å; G105-L203 CarbonylContact C-O 3.57Å; G105-L203 WeakPolarHBondContact CA-O 3.45Å; G105-P207 WeakPolarHBondContact O-CG 3.07Å
106	L	93	Very high	92.9	Very high	9 Å²	9	33 Å²	33	5%	0.047	17%	0.173	C	C	.	.	H	α-helix	trans	-61.9	-44.1	170.7	-179.1	68.1	0	0	0	112.7	H102 L104 I108 I109 K110 F122 L203 T549 L553	H102-L106 WeakPolarHBondContact O-CB 3.29Å; H102-L106 PolarHBondContact O-N 3.1Å; L104-L106 VanDerWaalsContact C-N 3.28Å; L104-L106 PolarHBondContact O-N 3.04Å; L106-I108 PolarHBondContact O-N 3.17Å; L106-I109 PolarHBondContact O-N 2.9Å; L106-K110 HydrophobicContact CD1-CD 4.43Å; L106-K110 HydrophobicContact CD1-CG 4.19Å; L106-K110 HydrophobicContact CG-CD 4.27Å; L106-K110 HydrophobicContact CG-CG 4.32Å; L106-K110 WeakPolarHBondContact O-CB 3.45Å; L106-K110 WeakPolarHBondContact O-CG 3.48Å; L106-K110 PolarHBondContact O-N 3.03Å; L106-F122 HydrophobicContact CD1-CE2 3.46Å; L106-F122 VanDerWaalsContact CD1-CE2 3.46Å; L106-F122 HydrophobicContact CD1-CZ 3.68Å; L106-L203 HydrophobicContact CB-CD2 4.2Å; L106-L203 HydrophobicContact CD1-CD2 3.92Å; L106-T549 HydrophobicContact CD1-CG2 3.9Å; L106-T549 HydrophobicContact CD2-CG2 3.41Å; L106-T549 VanDerWaalsContact CD2-CG2 3.41Å; L106-T549 HydrophobicContact CG-CG2 4.28Å; L106-L553 HydrophobicContact CD2-CD1 3.47Å; L106-L553 VanDerWaalsContact CD2-CD1 3.47Å; L106-L553 HydrophobicContact CD2-CG 4.31Å
107	D	92.9	Very high	92.8	Very high	55 Å²	55	35.4 Å²	35.4	29%	0.294	20%	0.204	S	C	.	.	H	α-helix	trans	-61.3	-36.6	175.5	-173.6	48.5	0	0	0	111	T103 L104 R111 W221 K224	T103-D107 PolarHBondContact O-N 3.32Å; L104-D107 PolarHBondContact O-N 3.36Å; L104-D107 VanDerWaalsContact O-N 3.08Å; D107-R111 VanDerWaalsContact O-CB 3.26Å; D107-R111 WeakPolarHBondContact O-CB 3.43Å; D107-R111 PolarHBondContact O-N 3.48Å; D107-R111 IonicContact OD1-NH2 3.38Å; D107-W221 HydrophobicContact CB-CH2 4.47Å; D107-W221 WeakPolarHBondContact OD2-CH2 3.24Å; D107-K224 IonicContact OD2-NZ 2.71Å; D107-K224 PolarHBondContact OD2-NZ 2.9Å
108	I	96.2	Very high	92.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.6	-52.9	174.4	-63.3	165.4	0	0	0	110.6	L104 G105 L106 K110 R111 E112 P207 W221 L243 L247	L104-I108 HydrophobicContact CD1-CD1 4.43Å; L104-I108 HydrophobicContact CG-CD1 4.19Å; L104-I108 WeakPolarHBondContact O-CG1 3.43Å; L104-I108 PolarHBondContact O-N 2.65Å; G105-I108 WeakPolarHBondContact O-CB 3.41Å; G105-I108 PolarHBondContact O-N 2.74Å; L106-I108 PolarHBondContact O-N 3.17Å; I108-K110 PolarHBondContact O-N 3.42Å; I108-R111 PolarHBondContact O-N 3Å; I108-E112 WeakPolarHBondContact O-CB 3.29Å; I108-E112 WeakPolarHBondContact O-CG 3.47Å; I108-E112 PolarHBondContact O-N 2.79Å; I108-P207 HydrophobicContact CB-CB 4.13Å; I108-P207 HydrophobicContact CB-CG 4.19Å; I108-P207 HydrophobicContact CD1-CB 4.06Å; I108-P207 HydrophobicContact CG2-CB 3.86Å; I108-P207 HydrophobicContact CG2-CG 4.25Å; I108-W221 VanDerWaalsContact CA-CZ2 3.48Å; I108-W221 HydrophobicContact CB-CH2 4.31Å; I108-W221 HydrophobicContact CB-CZ2 4.01Å; I108-W221 HydrophobicContact CG1-CD2 3.91Å; I108-W221 HydrophobicContact CG1-CE3 3.91Å; I108-W221 HydrophobicContact CG1-CH2 3.59Å; I108-W221 HydrophobicContact CG1-CZ2 3.64Å; I108-W221 HydrophobicContact CG1-CZ3 3.74Å; I108-W221 HydrophobicContact CG2-CZ2 4.33Å; I108-L243 HydrophobicContact CD1-CD1 4.43Å; I108-L247 HydrophobicContact CD1-CD2 4.49Å
109	I	95.3	Very high	92.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.3	-47.2	178.6	-66	157.6	0	0	0	110.5	G105 L106 R111 E112 Y113 L116 M118 F122 L198 L203 L206 P207	G105-I109 WeakPolarHBondContact O-CG1 3.45Å; G105-I109 PolarHBondContact O-N 3.22Å; L106-I109 PolarHBondContact O-N 2.9Å; I109-R111 VanDerWaalsContact C-N 3.26Å; I109-R111 PolarHBondContact O-N 2.87Å; I109-E112 CarbonylContact O-C 3.58Å; I109-E112 PolarHBondContact O-N 2.6Å; I109-Y113 VanDerWaalsContact O-CA 3.22Å; I109-Y113 WeakPolarHBondContact O-CA 3.33Å; I109-Y113 WeakPolarHBondContact O-CB 3.4Å; I109-Y113 PolarHBondContact O-N 2.92Å; I109-L116 HydrophobicContact CB-CD1 4.17Å; I109-L116 HydrophobicContact CG1-CD1 3.95Å; I109-L116 HydrophobicContact CG2-CD1 3.9Å; I109-M118 HydrophobicContact CG2-SD 4.39Å; I109-F122 HydrophobicContact CB-CZ 4.3Å; I109-F122 HydrophobicContact CG2-CD1 4.29Å; I109-F122 HydrophobicContact CG2-CE1 3.57Å; I109-F122 HydrophobicContact CG2-CE2 4.33Å; I109-F122 HydrophobicContact CG2-CZ 3.57Å; I109-L198 HydrophobicContact CD1-CD1 3.99Å; I109-L198 HydrophobicContact CG2-CD1 4.05Å; I109-L203 HydrophobicContact CD1-CD2 3.75Å; I109-L206 HydrophobicContact CD1-CB 4.43Å; I109-L206 HydrophobicContact CG1-CB 4.47Å; I109-P207 HydrophobicContact CD1-CG 4.07Å; I109-P207 HydrophobicContact CG1-CG 3.86Å
110	K	90.8	Very high	91.7	Very high	54 Å²	54	41.4 Å²	41.4	24%	0.235	24%	0.237	C	C	.	.	H	α-helix	trans	-62	-33.2	-178.8	-76.9	-166.9	175.6	-168.6	0	113.1	L106 I108 Y113 F122 T549	L106-K110 HydrophobicContact CD1-CD 4.43Å; L106-K110 HydrophobicContact CD1-CG 4.19Å; L106-K110 HydrophobicContact CG-CD 4.27Å; L106-K110 HydrophobicContact CG-CG 4.32Å; L106-K110 WeakPolarHBondContact O-CB 3.45Å; L106-K110 WeakPolarHBondContact O-CG 3.48Å; L106-K110 PolarHBondContact O-N 3.03Å; I108-K110 PolarHBondContact O-N 3.42Å; K110-Y113 VanDerWaalsContact O-CD1 3.32Å; K110-Y113 WeakPolarHBondContact O-CD1 3.34Å; K110-F122 HydrophobicContact CG-CE1 4.07Å; K110-F122 HydrophobicContact CG-CZ 3.56Å; K110-T549 PolarHBondContact NZ-OG1 3.15Å
111	R	93.7	Very high	91.3	Very high	142 Å²	142	43.4 Å²	43.4	54%	0.536	25%	0.247	S	C	.	.	H	α-helix	trans	-84.4	-29.5	-179.2	-165.2	170.6	-67.4	-117.5	-6.2	112.4	D107 I108 I109 W221	D107-R111 VanDerWaalsContact O-CB 3.26Å; D107-R111 WeakPolarHBondContact O-CB 3.43Å; D107-R111 PolarHBondContact O-N 3.48Å; D107-R111 IonicContact OD1-NH2 3.38Å; I108-R111 PolarHBondContact O-N 3Å; I109-R111 VanDerWaalsContact C-N 3.26Å; I109-R111 PolarHBondContact O-N 2.87Å; R111-W221 HydrophobicContact CB-CZ2 3.99Å; R111-W221 HydrophobicContact CG-CZ2 4.4Å
112	E	95.5	Very high	91.1	Very high	15 Å²	15	43.5 Å²	43.5	7%	0.07	25%	0.248	C	C	.	.	H	α-helix	trans	-115.1	20	-173.9	-50.2	-63.3	165	0	0	112.8	I108 I109 A114 A115 L116 L210 V217 R220 W221	I108-E112 WeakPolarHBondContact O-CB 3.29Å; I108-E112 WeakPolarHBondContact O-CG 3.47Å; I108-E112 PolarHBondContact O-N 2.79Å; I109-E112 CarbonylContact O-C 3.58Å; I109-E112 PolarHBondContact O-N 2.6Å; E112-A114 PolarHBondContact O-N 3.17Å; E112-A114 VanDerWaalsContact O-N 3.13Å; E112-A115 HydrophobicContact CB-CB 4.48Å; E112-A115 WeakPolarHBondContact O-CA 3.46Å; E112-A115 WeakPolarHBondContact O-CB 3.36Å; E112-A115 PolarHBondContact O-N 2.86Å; E112-L116 PolarHBondContact O-N 3.25Å; E112-L116 VanDerWaalsContact O-N 3.16Å; E112-L210 HydrophobicContact CB-CD2 3.64Å; E112-L210 HydrophobicContact CG-CD2 4.26Å; E112-V217 HydrophobicContact CB-CG1 4.35Å; E112-V217 HydrophobicContact CG-CG1 3.71Å; E112-R220 WeakPolarHBondContact OE1-CD 3.46Å; E112-R220 IonicContact OE1-NE 3Å; E112-W221 PolarHBondContact OE1-NE1 3.03Å; E112-W221 VanDerWaalsContact OE1-NE1 3.14Å
113	Y	91.8	Very high	90.8	Very high	95 Å²	95	42.9 Å²	42.9	37%	0.373	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-36.3	-174.7	71.2	-86.6	0	0	0	112.5	I109 K110 A115 L116 G117 M118 A120	I109-Y113 VanDerWaalsContact O-CA 3.22Å; I109-Y113 WeakPolarHBondContact O-CA 3.33Å; I109-Y113 WeakPolarHBondContact O-CB 3.4Å; I109-Y113 PolarHBondContact O-N 2.92Å; K110-Y113 VanDerWaalsContact O-CD1 3.32Å; K110-Y113 WeakPolarHBondContact O-CD1 3.34Å; Y113-A115 VanDerWaalsContact C-N 3.35Å; Y113-L116 CarbonylContact O-C 3.56Å; Y113-L116 WeakPolarHBondContact O-CB 3.38Å; Y113-L116 PolarHBondContact O-N 3.37Å; Y113-G117 PolarHBondContact O-N 3.09Å; Y113-G117 VanDerWaalsContact O-N 3.16Å; Y113-M118 WeakPolarHBondContact CD2-O 3.29Å; Y113-M118 PolarHBondContact O-N 3.04Å; Y113-A120 HydrophobicContact CD1-CB 4.19Å; Y113-A120 HydrophobicContact CD2-CB 4Å; Y113-A120 HydrophobicContact CE1-CB 4.04Å; Y113-A120 HydrophobicContact CE2-CB 3.87Å; Y113-A120 HydrophobicContact CG-CB 4.16Å
114	A	91.3	Very high	90.7	Very high	74 Å²	74	41.8 Å²	41.8	61%	0.612	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-38.6	177.3	0	0	0	0	0	111.9	E112 L116 G117	E112-A114 PolarHBondContact O-N 3.17Å; E112-A114 VanDerWaalsContact O-N 3.13Å; A114-L116 VanDerWaalsContact C-N 3.26Å; A114-L116 PolarHBondContact O-N 3.46Å; A114-G117 PolarHBondContact O-N 3.47Å; A114-G117 VanDerWaalsContact O-N 3.13Å
115	A	93.7	Very high	90.3	Very high	48 Å²	48	41.8 Å²	41.8	40%	0.397	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-23.8	175.9	0	0	0	0	0	112.4	E112 Y113 G117 L210 V217	E112-A115 HydrophobicContact CB-CB 4.48Å; E112-A115 WeakPolarHBondContact O-CA 3.46Å; E112-A115 WeakPolarHBondContact O-CB 3.36Å; E112-A115 PolarHBondContact O-N 2.86Å; Y113-A115 VanDerWaalsContact C-N 3.35Å; A115-G117 VanDerWaalsContact C-N 3.33Å; A115-L210 HydrophobicContact CB-CD1 4.01Å; A115-V217 HydrophobicContact CB-CG2 4.15Å
116	L	90.7	Very high	89.6	Confident	45 Å²	45	42.4 Å²	42.4	24%	0.236	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-8.6	171.5	-74.2	165.5	0	0	0	113.4	I109 E112 Y113 A114 M118 L206 L210	I109-L116 HydrophobicContact CB-CD1 4.17Å; I109-L116 HydrophobicContact CG1-CD1 3.95Å; I109-L116 HydrophobicContact CG2-CD1 3.9Å; E112-L116 PolarHBondContact O-N 3.25Å; E112-L116 VanDerWaalsContact O-N 3.16Å; Y113-L116 CarbonylContact O-C 3.56Å; Y113-L116 WeakPolarHBondContact O-CB 3.38Å; Y113-L116 PolarHBondContact O-N 3.37Å; A114-L116 VanDerWaalsContact C-N 3.26Å; A114-L116 PolarHBondContact O-N 3.46Å; L116-M118 VanDerWaalsContact C-N 3.25Å; L116-M118 HydrophobicContact CB-CB 4.47Å; L116-M118 HydrophobicContact CB-CG 3.97Å; L116-M118 HydrophobicContact CB-SD 4.22Å; L116-M118 HydrophobicContact CD1-SD 4.39Å; L116-M118 PolarHBondContact O-N 3.22Å; L116-L206 HydrophobicContact CD2-CB 4.27Å; L116-L210 HydrophobicContact CD1-CD2 4.29Å; L116-L210 HydrophobicContact CD2-CB 3.98Å; L116-L210 HydrophobicContact CD2-CD1 4.19Å; L116-L210 HydrophobicContact CD2-CD2 4.23Å; L116-L210 HydrophobicContact CD2-CG 4.36Å; L116-L210 HydrophobicContact CG-CD1 4.32Å; L116-L210 HydrophobicContact CG-CD2 3.97Å
117	G	88.6	Confident	89	Confident	74 Å²	74	44.9 Å²	44.9	76%	0.763	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	24.5	-174.4	0	0	0	0	0	113.5	Y113 A114 A115	Y113-G117 PolarHBondContact O-N 3.09Å; Y113-G117 VanDerWaalsContact O-N 3.16Å; A114-G117 PolarHBondContact O-N 3.47Å; A114-G117 VanDerWaalsContact O-N 3.13Å; A115-G117 VanDerWaalsContact C-N 3.33Å
118	M	87.3	Confident	88.5	Confident	36 Å²	36	45.3 Å²	45.3	18%	0.177	26%	0.26	C	S	.	.			trans	-100.7	167.8	-179.9	-67	-174.6	73.1	0	0	111.5	I109 Y113 L116 F122 L198 L206	I109-M118 HydrophobicContact CG2-SD 4.39Å; Y113-M118 WeakPolarHBondContact CD2-O 3.29Å; Y113-M118 PolarHBondContact O-N 3.04Å; L116-M118 VanDerWaalsContact C-N 3.25Å; L116-M118 HydrophobicContact CB-CB 4.47Å; L116-M118 HydrophobicContact CB-CG 3.97Å; L116-M118 HydrophobicContact CB-SD 4.22Å; L116-M118 HydrophobicContact CD1-SD 4.39Å; L116-M118 PolarHBondContact O-N 3.22Å; M118-F122 HydrophobicContact CE-CB 3.98Å; M118-F122 HydrophobicContact CE-CD1 4.37Å; M118-F122 HydrophobicContact CE-CG 4.25Å; M118-L198 HydrophobicContact CE-CD1 3.91Å; M118-L198 HydrophobicContact CE-CD2 3.48Å; M118-L198 VanDerWaalsContact CE-CD2 3.48Å; M118-L198 HydrophobicContact CE-CG 3.71Å; M118-L198 HydrophobicContact SD-CD2 4.1Å; M118-L206 HydrophobicContact SD-CD1 4.13Å
119	K	85.6	Confident	87.9	Confident	113 Å²	113	46 Å²	46	49%	0.491	26%	0.264	S	S	.	.			trans	-93.5	146.5	166.8	-51.9	175.7	-172.5	170.9	0	109.6	N121 F122 N196 D414	K119-N121 VanDerWaalsContact CB-OD1 3.23Å; K119-N121 WeakPolarHBondContact CB-OD1 3.34Å; K119-N121 PolarHBondContact O-N 3.03Å; K119-N121 VanDerWaalsContact O-N 3.08Å; K119-F122 WeakPolarHBondContact O-CD1 3.36Å; K119-N196 PolarHBondContact N-OD1 3.48Å; K119-N196 PolarHBondContact O-ND2 2.82Å; K119-N196 VanDerWaalsContact O-ND2 3.15Å; K119-D414 IonicContact NZ-OD2 3.33Å; K119-D414 PolarHBondContact NZ-OD2 2.94Å
120	A	82.5	Confident	87.6	Confident	53 Å²	53	46.5 Å²	46.5	44%	0.438	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-18.4	-175.4	0	0	0	0	0	114.8	Y113 F122	Y113-A120 HydrophobicContact CD1-CB 4.19Å; Y113-A120 HydrophobicContact CD2-CB 4Å; Y113-A120 HydrophobicContact CE1-CB 4.04Å; Y113-A120 HydrophobicContact CE2-CB 3.87Å; Y113-A120 HydrophobicContact CG-CB 4.16Å; A120-F122 PolarHBondContact O-N 3.22Å
121	N	83.1	Confident	87.5	Confident	42 Å²	42	46 Å²	46	23%	0.225	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	37.6	-175.6	69	-38.8	0	0	0	113	K119 T411 N412	K119-N121 VanDerWaalsContact CB-OD1 3.23Å; K119-N121 WeakPolarHBondContact CB-OD1 3.34Å; K119-N121 PolarHBondContact O-N 3.03Å; K119-N121 VanDerWaalsContact O-N 3.08Å; N121-T411 WeakPolarHBondContact CB-O 3.14Å; N121-T411 PolarHBondContact ND2-O 2.89Å; N121-N412 PolarHBondContact ND2-OD1 3.43Å; N121-N412 WeakPolarHBondContact O-CB 3.17Å; N121-N412 PolarHBondContact O-ND2 3.44Å; N121-N412 PolarHBondContact O-OD1 3.5Å
122	F	88	Confident	87.2	Confident	7 Å²	7	42 Å²	42	3%	0.031	26%	0.263	C	S	.	.			trans	-68	149.7	-180	55.9	-96.7	0	0	0	112.6	L106 I109 K110 M118 K119 A120 N196 L198	L106-F122 HydrophobicContact CD1-CE2 3.46Å; L106-F122 VanDerWaalsContact CD1-CE2 3.46Å; L106-F122 HydrophobicContact CD1-CZ 3.68Å; I109-F122 HydrophobicContact CB-CZ 4.3Å; I109-F122 HydrophobicContact CG2-CD1 4.29Å; I109-F122 HydrophobicContact CG2-CE1 3.57Å; I109-F122 HydrophobicContact CG2-CE2 4.33Å; I109-F122 HydrophobicContact CG2-CZ 3.57Å; K110-F122 HydrophobicContact CG-CE1 4.07Å; K110-F122 HydrophobicContact CG-CZ 3.56Å; M118-F122 HydrophobicContact CE-CB 3.98Å; M118-F122 HydrophobicContact CE-CD1 4.37Å; M118-F122 HydrophobicContact CE-CG 4.25Å; K119-F122 WeakPolarHBondContact O-CD1 3.36Å; A120-F122 PolarHBondContact O-N 3.22Å; F122-N196 WeakPolarHBondContact CA-ND2 3.47Å; F122-N196 WeakPolarHBondContact CA-O 3.46Å; F122-N196 WeakPolarHBondContact CB-ND2 3.4Å; F122-N196 WeakPolarHBondContact CB-O 3.38Å; F122-N196 PolarHBondContact N-ND2 3.15Å; F122-L198 HydrophobicContact CD2-CD1 3.58Å; F122-L198 HydrophobicContact CD2-CG 4.24Å; F122-L198 HydrophobicContact CE2-CD1 3.78Å; F122-L198 HydrophobicContact CG-CD1 4.05Å; F122-L198 HydrophobicContact CZ-CD1 4.41Å
123	S	86	Confident	86.8	Confident	6 Å²	6	41.8 Å²	41.8	4%	0.042	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	156.8	174.8	-71.4	0	0	0	0	111.8	N196 V197 L198 N412 D415	S123-N196 PolarHBondContact N-O 3.41Å; S123-N196 VanDerWaalsContact N-O 3.12Å; S123-V197 WeakPolarHBondContact O-CA 3.45Å; S123-L198 PolarHBondContact O-N 3.49Å; S123-N412 PolarHBondContact N-ND2 2.94Å; S123-N412 WeakPolarHBondContact OG-CB 3.27Å; S123-N412 PolarHBondContact OG-ND2 3.1Å; S123-D415 WeakPolarHBondContact CB-OD2 3.05Å; S123-D415 PolarHBondContact OG-OD2 2.64Å
124	L	87.7	Confident	86.8	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	134.9	169.6	-66.1	178	0	0	0	110	L198 L203 T549 T552 L553	L124-L198 CarbonylContact C-O 2.99Å; L124-L198 VanDerWaalsContact CA-O 3.29Å; L124-L198 WeakPolarHBondContact CA-O 3.41Å; L124-L198 HydrophobicContact CD2-CB 3.93Å; L124-L203 HydrophobicContact CD1-CD1 4.43Å; L124-L203 HydrophobicContact CD2-CD1 4.18Å; L124-L203 HydrophobicContact CD2-CD2 3.72Å; L124-L203 HydrophobicContact CD2-CG 4.19Å; L124-T549 HydrophobicContact CD1-CG2 3.42Å; L124-T549 VanDerWaalsContact CD1-CG2 3.42Å; L124-T549 HydrophobicContact CG-CG2 4.04Å; L124-T552 HydrophobicContact CB-CG2 3.46Å; L124-T552 VanDerWaalsContact CB-CG2 3.46Å; L124-T552 WeakPolarHBondContact O-CG2 3.45Å; L124-L553 HydrophobicContact CD1-CD2 3.88Å; L124-L553 HydrophobicContact CD1-CG 3.89Å
125	F	87.3	Confident	86.8	Confident	5 Å²	5	38.4 Å²	38.4	2%	0.022	24%	0.236	C	C	.	.			trans	-95.4	135	172	-95.1	26.9	0	0	0	111.2	D129 L133 L192 V197 L198 R408 M556	F125-D129 HydrophobicContact CB-CB 4.03Å; F125-D129 HydrophobicContact CD1-CB 3.94Å; F125-D129 HydrophobicContact CD2-CB 3.64Å; F125-D129 HydrophobicContact CE1-CB 4.36Å; F125-D129 HydrophobicContact CE2-CB 4.05Å; F125-D129 HydrophobicContact CG-CB 3.59Å; F125-D129 HydrophobicContact CZ-CB 4.43Å; F125-L133 HydrophobicContact CD2-CD2 4.46Å; F125-L133 HydrophobicContact CE2-CB 3.99Å; F125-L133 HydrophobicContact CE2-CD2 3.62Å; F125-L133 HydrophobicContact CE2-CG 4.41Å; F125-L133 HydrophobicContact CZ-CD2 4.35Å; F125-L192 HydrophobicContact CD2-CD2 4.1Å; F125-L192 HydrophobicContact CE2-CD2 4.18Å; F125-V197 HydrophobicContact CB-CG1 4.14Å; F125-V197 HydrophobicContact CD1-CB 4.42Å; F125-V197 HydrophobicContact CD1-CG1 3.12Å; F125-V197 HydrophobicContact CD1-CG2 4.48Å; F125-V197 HydrophobicContact CD2-CG1 4.15Å; F125-V197 HydrophobicContact CE1-CB 4.28Å; F125-V197 HydrophobicContact CE1-CG1 3.35Å; F125-V197 HydrophobicContact CE1-CG2 3.94Å; F125-V197 HydrophobicContact CE2-CG1 4.35Å; F125-V197 HydrophobicContact CG-CG1 3.54Å; F125-V197 HydrophobicContact CZ-CG1 3.96Å; F125-V197 HydrophobicContact CZ-CG2 4.45Å; F125-L198 PolarHBondContact N-O 3.22Å; F125-R408 VanDerWaalsContact CD1-NH2 3.29Å; F125-M556 VanDerWaalsContact C-CE 3.48Å; F125-M556 WeakPolarHBondContact O-CE 3.45Å
126	D	81.5	Confident	86.4	Confident	13 Å²	13	41.6 Å²	41.6	7%	0.07	24%	0.243	C	C	.	.			trans	-88.4	173.7	166.9	72.9	35.2	0	0	0	112.7	T128 D129 Q130 K401 M556	D126-T128 PolarHBondContact O-N 3.4Å; D126-T128 VanDerWaalsContact O-N 3.1Å; D126-T128 VanDerWaalsContact OD1-CA 3.3Å; D126-T128 WeakPolarHBondContact OD1-CA 3.4Å; D126-T128 WeakPolarHBondContact OD1-CB 3.18Å; D126-T128 PolarHBondContact OD1-N 2.65Å; D126-T128 PolarHBondContact OD1-OG1 3.03Å; D126-D129 PolarHBondContact N-OD2 3.44Å; D126-D129 PolarHBondContact O-N 3.5Å; D126-D129 VanDerWaalsContact O-N 3.14Å; D126-D129 PolarHBondContact OD1-N 3.44Å; D126-Q130 WeakPolarHBondContact O-CB 3.46Å; D126-Q130 PolarHBondContact O-N 3.44Å; D126-K401 IonicContact OD1-NZ 2.7Å; D126-K401 PolarHBondContact OD1-NZ 3.49Å; D126-K401 WeakPolarHBondContact OD2-CE 3.41Å; D126-K401 IonicContact OD2-NZ 3.69Å; D126-K401 PolarHBondContact OD2-NZ 2.94Å; D126-M556 HydrophobicContact CB-CE 3.81Å; D126-M556 HydrophobicContact CB-CG 4.01Å; D126-M556 HydrophobicContact CB-SD 4.16Å
127	D	80.4	Confident	86.3	Confident	62 Å²	62	41.4 Å²	41.4	33%	0.332	24%	0.241	S	C	.	.	H	α-helix	trans	-53.3	-32.4	179.2	-59	-12.3	0	0	0	113.2	L131 R559	D127-L131 WeakPolarHBondContact O-CB 3.26Å; D127-L131 PolarHBondContact O-N 2.81Å; D127-R559 IonicContact OD2-CZ 3.04Å; D127-R559 IonicContact OD2-NH1 3.37Å; D127-R559 PolarHBondContact OD2-NH1 3.3Å; D127-R559 IonicContact OD2-NH2 2.87Å; D127-R559 PolarHBondContact OD2-NH2 3.14Å
128	T	81.2	Confident	86.4	Confident	64 Å²	64	38 Å²	38	39%	0.393	21%	0.206	S	C	.	.	H	α-helix	trans	-81.4	-36.7	-178.6	68.7	0	0	0	0	112.2	D126 Q130 L131 A132 K401	D126-T128 PolarHBondContact O-N 3.4Å; D126-T128 VanDerWaalsContact O-N 3.1Å; D126-T128 VanDerWaalsContact OD1-CA 3.3Å; D126-T128 WeakPolarHBondContact OD1-CA 3.4Å; D126-T128 WeakPolarHBondContact OD1-CB 3.18Å; D126-T128 PolarHBondContact OD1-N 2.65Å; D126-T128 PolarHBondContact OD1-OG1 3.03Å; T128-Q130 VanDerWaalsContact C-N 3.32Å; T128-L131 PolarHBondContact O-N 2.68Å; T128-A132 WeakPolarHBondContact O-CB 3.34Å; T128-A132 PolarHBondContact O-N 2.74Å; T128-K401 PolarHBondContact OG1-NZ 2.74Å
129	D	84.4	Confident	86.5	Confident	14 Å²	14	44.2 Å²	44.2	8%	0.075	24%	0.235	C	C	.	.	H	α-helix	trans	-64.5	-42.4	173.3	-60.3	-30.8	0	0	0	109.8	F125 D126 A132 L133 R408	F125-D129 HydrophobicContact CB-CB 4.03Å; F125-D129 HydrophobicContact CD1-CB 3.94Å; F125-D129 HydrophobicContact CD2-CB 3.64Å; F125-D129 HydrophobicContact CE1-CB 4.36Å; F125-D129 HydrophobicContact CE2-CB 4.05Å; F125-D129 HydrophobicContact CG-CB 3.59Å; F125-D129 HydrophobicContact CZ-CB 4.43Å; D126-D129 PolarHBondContact N-OD2 3.44Å; D126-D129 PolarHBondContact O-N 3.5Å; D126-D129 VanDerWaalsContact O-N 3.14Å; D126-D129 PolarHBondContact OD1-N 3.44Å; D129-A132 PolarHBondContact O-N 2.7Å; D129-L133 WeakPolarHBondContact O-CB 3.36Å; D129-L133 PolarHBondContact O-N 2.87Å; D129-R408 IonicContact OD1-NH1 3.28Å; D129-R408 IonicContact OD2-CZ 3.76Å; D129-R408 IonicContact OD2-NH1 2.68Å; D129-R408 PolarHBondContact OD2-NH1 2.98Å; D129-R408 IonicContact OD2-NH2 3.68Å
130	Q	88.6	Confident	86.6	Confident	10 Å²	10	42.7 Å²	42.7	5%	0.047	25%	0.251	C	S	.	.	H	α-helix	trans	-61.2	-46	174.5	179.2	174.1	49.1	0	0	111.7	D126 T128 L133 L134 I153 Y188 D199	D126-Q130 WeakPolarHBondContact O-CB 3.46Å; D126-Q130 PolarHBondContact O-N 3.44Å; T128-Q130 VanDerWaalsContact C-N 3.32Å; Q130-L133 PolarHBondContact O-N 3.46Å; Q130-L134 HydrophobicContact CG-CD1 3.94Å; Q130-L134 WeakPolarHBondContact O-CB 3.44Å; Q130-L134 WeakPolarHBondContact O-CG 3.29Å; Q130-L134 PolarHBondContact O-N 2.97Å; Q130-I153 HydrophobicContact CG-CD1 4.4Å; Q130-I153 HydrophobicContact CG-CG1 4.15Å; Q130-I153 VanDerWaalsContact OE1-CG2 3.27Å; Q130-Y188 HydrophobicContact CG-CE2 4.05Å; Q130-Y188 WeakPolarHBondContact CG-OH 3.47Å; Q130-Y188 PolarHBondContact NE2-OH 2.91Å; Q130-D199 PolarHBondContact NE2-OD2 3.42Å
131	L	89.5	Confident	86.9	Confident	43 Å²	43	43.7 Å²	43.7	23%	0.225	25%	0.248	C	C	.	.	H	α-helix	trans	-61.6	-44.7	177	-177.2	71.6	0	0	0	112.1	D127 T128 K135 L149 I153	D127-L131 WeakPolarHBondContact O-CB 3.26Å; D127-L131 PolarHBondContact O-N 2.81Å; T128-L131 PolarHBondContact O-N 2.68Å; L131-K135 WeakPolarHBondContact O-CB 3.43Å; L131-K135 PolarHBondContact O-N 3.15Å; L131-L149 HydrophobicContact CD1-CB 3.64Å; L131-L149 HydrophobicContact CD1-CD1 4.14Å; L131-L149 HydrophobicContact CD1-CG 4.43Å; L131-I153 HydrophobicContact CB-CD1 3.95Å; L131-I153 HydrophobicContact CD1-CD1 3.67Å; L131-I153 HydrophobicContact CG-CD1 4.44Å
132	A	86.4	Confident	87.2	Confident	59 Å²	59	42.9 Å²	42.9	49%	0.488	24%	0.244	S	C	.	.	H	α-helix	trans	-63.3	-46	179.3	0	0	0	0	0	111.5	T128 D129 K135 E136	T128-A132 WeakPolarHBondContact O-CB 3.34Å; T128-A132 PolarHBondContact O-N 2.74Å; D129-A132 PolarHBondContact O-N 2.7Å; A132-K135 PolarHBondContact O-N 3.06Å; A132-E136 PolarHBondContact O-N 3.5Å
133	L	87.6	Confident	87.3	Confident	10 Å²	10	49.9 Å²	49.9	5%	0.052	28%	0.277	C	S	.	.	H	α-helix	trans	-65.1	-44.8	178.3	177.6	59.9	0	0	0	111.8	F125 D129 Q130 K135 E136 L137 Y188 H191 L192	F125-L133 HydrophobicContact CD2-CD2 4.46Å; F125-L133 HydrophobicContact CE2-CB 3.99Å; F125-L133 HydrophobicContact CE2-CD2 3.62Å; F125-L133 HydrophobicContact CE2-CG 4.41Å; F125-L133 HydrophobicContact CZ-CD2 4.35Å; D129-L133 WeakPolarHBondContact O-CB 3.36Å; D129-L133 PolarHBondContact O-N 2.87Å; Q130-L133 PolarHBondContact O-N 3.46Å; L133-K135 VanDerWaalsContact C-N 3.32Å; L133-K135 PolarHBondContact O-N 3.23Å; L133-E136 PolarHBondContact O-N 3.28Å; L133-L137 HydrophobicContact CD1-CD1 3.81Å; L133-L137 HydrophobicContact CD1-CD2 4.43Å; L133-L137 HydrophobicContact CD1-CG 3.85Å; L133-L137 HydrophobicContact CD2-CD1 4.28Å; L133-L137 HydrophobicContact CG-CD1 3.76Å; L133-L137 HydrophobicContact CG-CG 4.2Å; L133-L137 WeakPolarHBondContact O-CG 3.19Å; L133-L137 PolarHBondContact O-N 3.37Å; L133-Y188 HydrophobicContact CD2-CD2 3.91Å; L133-Y188 HydrophobicContact CD2-CE2 3.76Å; L133-Y188 HydrophobicContact CG-CD2 4.28Å; L133-Y188 HydrophobicContact CG-CE2 4.33Å; L133-H191 HydrophobicContact CD2-CB 4.46Å; L133-L192 HydrophobicContact CD2-CD2 4.05Å
134	L	91.5	Very high	87.3	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.1	-41.5	178.3	-78.4	170.5	0	0	0	111.4	Q130 E136 L137 T138 L149 L152 I153 I156 Y188	Q130-L134 HydrophobicContact CG-CD1 3.94Å; Q130-L134 WeakPolarHBondContact O-CB 3.44Å; Q130-L134 WeakPolarHBondContact O-CG 3.29Å; Q130-L134 PolarHBondContact O-N 2.97Å; L134-E136 PolarHBondContact O-N 3.48Å; L134-L137 PolarHBondContact O-N 3.15Å; L134-T138 WeakPolarHBondContact O-CB 3.34Å; L134-T138 VanDerWaalsContact O-CG2 3.32Å; L134-T138 WeakPolarHBondContact O-CG2 3.28Å; L134-T138 PolarHBondContact O-N 3.02Å; L134-T138 PolarHBondContact O-OG1 2.74Å; L134-L149 HydrophobicContact CB-CD2 4.41Å; L134-L152 HydrophobicContact CD1-CD2 4.38Å; L134-L152 HydrophobicContact CD1-CG 4.42Å; L134-L152 HydrophobicContact CD2-CD2 4.05Å; L134-I153 HydrophobicContact CD1-CD1 4.29Å; L134-I153 HydrophobicContact CD1-CG1 3.38Å; L134-I156 HydrophobicContact CD1-CD1 4.18Å; L134-I156 HydrophobicContact CD2-CD1 4Å; L134-Y188 HydrophobicContact CD2-CD2 3.61Å; L134-Y188 HydrophobicContact CD2-CE2 4.39Å; L134-Y188 HydrophobicContact CD2-CG 3.81Å; L134-Y188 HydrophobicContact CG-CD2 3.83Å; L134-Y188 HydrophobicContact CG-CE2 4.15Å; L134-Y188 HydrophobicContact CG-CG 4.43Å
135	K	90.8	Very high	87.4	Confident	99 Å²	99	58.3 Å²	58.3	43%	0.43	32%	0.321	S	S	.	.	H	α-helix	trans	-54.7	-42.4	175.6	179.6	171.8	173.9	137.4	0	112.2	L131 A132 L133 E139 D144 L149	L131-K135 WeakPolarHBondContact O-CB 3.43Å; L131-K135 PolarHBondContact O-N 3.15Å; A132-K135 PolarHBondContact O-N 3.06Å; L133-K135 VanDerWaalsContact C-N 3.32Å; L133-K135 PolarHBondContact O-N 3.23Å; K135-E139 PolarHBondContact O-N 2.92Å; K135-D144 VanDerWaalsContact CE-OD1 3.29Å; K135-D144 WeakPolarHBondContact CE-OD1 3.4Å; K135-D144 WeakPolarHBondContact CE-OD2 3.18Å; K135-D144 IonicContact NZ-OD1 2.93Å; K135-D144 PolarHBondContact NZ-OD1 2.77Å; K135-D144 IonicContact NZ-OD2 2.71Å; K135-D144 PolarHBondContact NZ-OD2 2.78Å; K135-L149 HydrophobicContact CB-CD1 4.06Å; K135-L149 HydrophobicContact CB-CD2 4.49Å; K135-L149 HydrophobicContact CD-CD1 4.49Å; K135-L149 HydrophobicContact CG-CD1 4.3Å
136	E	86.2	Confident	87.3	Confident	115 Å²	115	65 Å²	65	54%	0.537	35%	0.35	S	S	.	.	H	α-helix	trans	-67.6	-50.5	175.8	-179	179.2	175.2	0	0	111.9	A132 L133 L134 T138 E139	A132-E136 PolarHBondContact O-N 3.5Å; L133-E136 PolarHBondContact O-N 3.28Å; L134-E136 PolarHBondContact O-N 3.48Å; E136-T138 PolarHBondContact O-N 3.38Å; E136-E139 WeakPolarHBondContact O-CB 3.4Å; E136-E139 PolarHBondContact O-N 3.24Å
137	L	87.6	Confident	87.7	Confident	40 Å²	40	68.7 Å²	68.7	21%	0.209	37%	0.373	C	S	.	.	H	α-helix	trans	-67.6	-22.6	-176.4	-67.8	178.6	0	0	0	113.8	L133 L134 Y188 H191	L133-L137 HydrophobicContact CD1-CD1 3.81Å; L133-L137 HydrophobicContact CD1-CD2 4.43Å; L133-L137 HydrophobicContact CD1-CG 3.85Å; L133-L137 HydrophobicContact CD2-CD1 4.28Å; L133-L137 HydrophobicContact CG-CD1 3.76Å; L133-L137 HydrophobicContact CG-CG 4.2Å; L133-L137 WeakPolarHBondContact O-CG 3.19Å; L133-L137 PolarHBondContact O-N 3.37Å; L134-L137 PolarHBondContact O-N 3.15Å; L137-Y188 HydrophobicContact CD1-CD2 4.34Å; L137-H191 HydrophobicContact CD1-CB 3.97Å
138	T	91.3	Very high	88.2	Confident	4 Å²	4	67.3 Å²	67.3	3%	0.025	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	8.6	-178.7	68.5	0	0	0	0	113.7	L134 E136 G140 L141 I142 L152 C184	L134-T138 WeakPolarHBondContact O-CB 3.34Å; L134-T138 VanDerWaalsContact O-CG2 3.32Å; L134-T138 WeakPolarHBondContact O-CG2 3.28Å; L134-T138 PolarHBondContact O-N 3.02Å; L134-T138 PolarHBondContact O-OG1 2.74Å; E136-T138 PolarHBondContact O-N 3.38Å; T138-G140 PolarHBondContact O-N 3.19Å; T138-L141 PolarHBondContact O-N 3.09Å; T138-I142 HydrophobicContact CG2-CD1 4.16Å; T138-I142 PolarHBondContact O-N 2.82Å; T138-I142 VanDerWaalsContact OG1-CD1 3.31Å; T138-I142 WeakPolarHBondContact OG1-CD1 3.35Å; T138-I142 WeakPolarHBondContact OG1-CG1 3.38Å; T138-L152 HydrophobicContact CG2-CD2 3.73Å; T138-C184 HydrophobicContact CG2-CB 3.79Å; T138-C184 VanDerWaalsContact CG2-SG 3.52Å
139	E	88.8	Confident	88.8	Confident	166 Å²	166	64.5 Å²	64.5	78%	0.776	35%	0.348	S	S	*	.	B	Isolated β-bridge	trans	-58	123.7	174.7	-167.7	174.2	-173.8	0	0	110.2	K135 E136 L141	K135-E139 PolarHBondContact O-N 2.92Å; E136-E139 WeakPolarHBondContact O-CB 3.4Å; E136-E139 PolarHBondContact O-N 3.24Å; E139-L141 VanDerWaalsContact C-N 3.25Å; E139-L141 PolarHBondContact O-N 3.43Å
140	G	88.1	Confident	89.1	Confident	81 Å²	81	68.5 Å²	68.5	84%	0.835	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	-7	-176	0	0	0	0	0	115.8	T138	T138-G140 PolarHBondContact O-N 3.19Å
141	L	90	Very high	89.2	Confident	73 Å²	73	71.9 Å²	71.9	38%	0.382	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-37.4	175	-65	177.2	0	0	0	112.6	T138 E139 L187	T138-L141 PolarHBondContact O-N 3.09Å; E139-L141 VanDerWaalsContact C-N 3.25Å; E139-L141 PolarHBondContact O-N 3.43Å; L141-L187 HydrophobicContact CD1-CD1 3.76Å
142	I	89.3	Confident	89.5	Confident	26 Å²	26	69.8 Å²	69.8	13%	0.133	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-131.3	160.7	176.3	69.7	-177.5	0	0	0	110.3	T138 L148 L149 L152 I180 F181	T138-I142 HydrophobicContact CG2-CD1 4.16Å; T138-I142 PolarHBondContact O-N 2.82Å; T138-I142 VanDerWaalsContact OG1-CD1 3.31Å; T138-I142 WeakPolarHBondContact OG1-CD1 3.35Å; T138-I142 WeakPolarHBondContact OG1-CG1 3.38Å; I142-L148 HydrophobicContact CB-CD2 3.91Å; I142-L148 HydrophobicContact CG1-CD2 4.46Å; I142-L149 HydrophobicContact CD1-CD2 3.84Å; I142-L149 HydrophobicContact CD1-CG 4.46Å; I142-L152 HydrophobicContact CD1-CD2 3.99Å; I142-I180 HydrophobicContact CG2-CG2 3.7Å; I142-F181 HydrophobicContact CG2-CE1 4.46Å
143	E	88.3	Confident	89.9	Confident	153 Å²	153	67.8 Å²	67.8	72%	0.715	35%	0.352	S	S	*	.			trans	-63.1	140.5	173.7	-64.1	179.3	175	0	0	110.5	D145 L148	E143-D145 PolarHBondContact O-N 2.8Å; E143-L148 HydrophobicContact CB-CD2 4.2Å
144	D	87	Confident	90.1	Very high	121 Å²	121	69.8 Å²	69.8	65%	0.647	37%	0.367	S	S	*	.	S	Bend	trans	-74.2	66.9	174.7	-173	16.8	0	0	0	110.4	K135	K135-D144 VanDerWaalsContact CE-OD1 3.29Å; K135-D144 WeakPolarHBondContact CE-OD1 3.4Å; K135-D144 WeakPolarHBondContact CE-OD2 3.18Å; K135-D144 IonicContact NZ-OD1 2.93Å; K135-D144 PolarHBondContact NZ-OD1 2.77Å; K135-D144 IonicContact NZ-OD2 2.71Å; K135-D144 PolarHBondContact NZ-OD2 2.78Å
145	D	88.8	Confident	90.2	Very high	67 Å²	67	71 Å²	71	36%	0.358	38%	0.375	S	S	.	.			trans	-115.5	130.2	174.8	171.6	35.8	0	0	0	110.2	E143 V147 L148 L149	E143-D145 PolarHBondContact O-N 2.8Å; D145-V147 VanDerWaalsContact C-N 3.29Å; D145-V147 PolarHBondContact O-N 3.08Å; D145-V147 PolarHBondContact OD1-N 3.39Å; D145-V147 VanDerWaalsContact OD1-N 3.12Å; D145-V147 WeakPolarHBondContact OD2-CB 3.11Å; D145-V147 PolarHBondContact OD2-N 2.83Å; D145-L148 HydrophobicContact CB-CB 4.04Å; D145-L148 PolarHBondContact O-N 2.92Å; D145-L148 PolarHBondContact OD2-N 2.84Å; D145-L149 WeakPolarHBondContact O-CG 3.16Å; D145-L149 PolarHBondContact O-N 3.35Å
146	K	86.5	Confident	90.4	Very high	145 Å²	145	66.3 Å²	66.3	63%	0.63	35%	0.354	S	S	*	.	H	α-helix	trans	-63.5	-36.1	179.1	-173.3	178.1	178.6	-178.5	0	111.8	Q150	K146-Q150 WeakPolarHBondContact O-CB 3.36Å; K146-Q150 PolarHBondContact O-N 3.18Å
147	V	88.8	Confident	90.8	Very high	90 Å²	90	62 Å²	62	55%	0.545	34%	0.337	S	S	.	.	H	α-helix	trans	-68.1	-45.5	179.3	-179.8	0	0	0	0	109.9	D145 L149 Q150 Q151	D145-V147 VanDerWaalsContact C-N 3.29Å; D145-V147 PolarHBondContact O-N 3.08Å; D145-V147 PolarHBondContact OD1-N 3.39Å; D145-V147 VanDerWaalsContact OD1-N 3.12Å; D145-V147 WeakPolarHBondContact OD2-CB 3.11Å; D145-V147 PolarHBondContact OD2-N 2.83Å; V147-L149 PolarHBondContact O-N 2.89Å; V147-Q150 WeakPolarHBondContact O-CB 3.33Å; V147-Q150 PolarHBondContact O-N 3.26Å; V147-Q151 WeakPolarHBondContact O-CG 3.3Å; V147-Q151 PolarHBondContact O-N 3.43Å
148	L	91.8	Very high	91	Very high	33 Å²	33	62.7 Å²	62.7	17%	0.173	34%	0.341	C	S	.	.	H	α-helix	trans	-60.7	-43.1	176.4	-168.3	65.1	0	0	0	112.9	I142 E143 D145 Q150 Q151 L152 F181	I142-L148 HydrophobicContact CB-CD2 3.91Å; I142-L148 HydrophobicContact CG1-CD2 4.46Å; E143-L148 HydrophobicContact CB-CD2 4.2Å; D145-L148 HydrophobicContact CB-CB 4.04Å; D145-L148 PolarHBondContact O-N 2.92Å; D145-L148 PolarHBondContact OD2-N 2.84Å; L148-Q150 VanDerWaalsContact C-N 3.32Å; L148-Q150 PolarHBondContact O-N 3.12Å; L148-Q151 WeakPolarHBondContact O-CB 3.43Å; L148-Q151 PolarHBondContact O-N 3.46Å; L148-L152 PolarHBondContact O-N 2.9Å; L148-F181 HydrophobicContact CD1-CE1 4.3Å; L148-F181 HydrophobicContact CD1-CZ 3.89Å; L148-F181 HydrophobicContact CG-CZ 4.45Å
149	L	93.1	Very high	91.2	Very high	6 Å²	6	63.5 Å²	63.5	3%	0.031	34%	0.343	C	S	.	.	H	α-helix	trans	-61.4	-39.8	174.3	-76.9	168.2	0	0	0	112.3	L131 L134 K135 I142 D145 V147 Q151 L152 I153	L131-L149 HydrophobicContact CD1-CB 3.64Å; L131-L149 HydrophobicContact CD1-CD1 4.14Å; L131-L149 HydrophobicContact CD1-CG 4.43Å; L134-L149 HydrophobicContact CB-CD2 4.41Å; K135-L149 HydrophobicContact CB-CD1 4.06Å; K135-L149 HydrophobicContact CB-CD2 4.49Å; K135-L149 HydrophobicContact CD-CD1 4.49Å; K135-L149 HydrophobicContact CG-CD1 4.3Å; I142-L149 HydrophobicContact CD1-CD2 3.84Å; I142-L149 HydrophobicContact CD1-CG 4.46Å; D145-L149 WeakPolarHBondContact O-CG 3.16Å; D145-L149 PolarHBondContact O-N 3.35Å; V147-L149 PolarHBondContact O-N 2.89Å; L149-Q151 VanDerWaalsContact C-N 3.31Å; L149-Q151 PolarHBondContact O-N 3.12Å; L149-L152 WeakPolarHBondContact O-CB 3.36Å; L149-L152 PolarHBondContact O-N 3.22Å; L149-I153 WeakPolarHBondContact O-CG1 3.39Å; L149-I153 PolarHBondContact O-N 3.12Å
150	Q	90.8	Very high	91.5	Very high	97 Å²	97	55.6 Å²	55.6	45%	0.453	31%	0.306	S	S	.	.	H	α-helix	trans	-65.2	-37.2	176.3	-151.5	81.5	49.5	0	0	111.5	K146 V147 L148 S154	K146-Q150 WeakPolarHBondContact O-CB 3.36Å; K146-Q150 PolarHBondContact O-N 3.18Å; V147-Q150 WeakPolarHBondContact O-CB 3.33Å; V147-Q150 PolarHBondContact O-N 3.26Å; L148-Q150 VanDerWaalsContact C-N 3.32Å; L148-Q150 PolarHBondContact O-N 3.12Å; Q150-S154 WeakPolarHBondContact O-CB 3.17Å; Q150-S154 PolarHBondContact O-N 2.86Å
151	Q	91.9	Very high	91.7	Very high	81 Å²	81	52 Å²	52	38%	0.379	27%	0.268	S	S	.	.	H	α-helix	trans	-65.1	-42.6	173.1	-69.2	178.7	4.6	0	0	111.5	V147 L148 L149 S154 T155 F181	V147-Q151 WeakPolarHBondContact O-CG 3.3Å; V147-Q151 PolarHBondContact O-N 3.43Å; L148-Q151 WeakPolarHBondContact O-CB 3.43Å; L148-Q151 PolarHBondContact O-N 3.46Å; L149-Q151 VanDerWaalsContact C-N 3.31Å; L149-Q151 PolarHBondContact O-N 3.12Å; Q151-S154 PolarHBondContact O-N 2.78Å; Q151-T155 WeakPolarHBondContact O-CB 3.43Å; Q151-T155 PolarHBondContact O-N 3.29Å; Q151-T155 PolarHBondContact O-OG1 3.22Å; Q151-F181 HydrophobicContact CB-CE2 4.27Å; Q151-F181 HydrophobicContact CB-CZ 4.42Å
152	L	95	Very high	91.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59	-49.3	175.4	174.7	61.9	0	0	0	111.2	L134 T138 I142 L148 L149 S154 T155 I156 F181 C184	L134-L152 HydrophobicContact CD1-CD2 4.38Å; L134-L152 HydrophobicContact CD1-CG 4.42Å; L134-L152 HydrophobicContact CD2-CD2 4.05Å; T138-L152 HydrophobicContact CG2-CD2 3.73Å; I142-L152 HydrophobicContact CD1-CD2 3.99Å; L148-L152 PolarHBondContact O-N 2.9Å; L149-L152 WeakPolarHBondContact O-CB 3.36Å; L149-L152 PolarHBondContact O-N 3.22Å; L152-S154 PolarHBondContact O-N 2.8Å; L152-T155 PolarHBondContact O-N 3.12Å; L152-I156 HydrophobicContact CD1-CD1 3.82Å; L152-I156 HydrophobicContact CD1-CG1 4.12Å; L152-I156 HydrophobicContact CG-CD1 3.96Å; L152-I156 WeakPolarHBondContact O-CG1 3.39Å; L152-I156 PolarHBondContact O-N 3.08Å; L152-F181 HydrophobicContact CB-CD1 4.49Å; L152-F181 HydrophobicContact CB-CE1 4.21Å; L152-F181 HydrophobicContact CB-CE2 4.24Å; L152-F181 HydrophobicContact CB-CZ 4.07Å; L152-F181 HydrophobicContact CD1-CB 3.72Å; L152-F181 HydrophobicContact CD1-CD1 3.72Å; L152-F181 HydrophobicContact CD1-CD2 4.03Å; L152-F181 HydrophobicContact CD1-CE1 4.28Å; L152-F181 HydrophobicContact CD1-CG 3.56Å; L152-C184 HydrophobicContact CD1-CB 4.02Å; L152-C184 HydrophobicContact CD2-CB 4.08Å
153	I	93.9	Very high	92	Very high	16 Å²	16	50.6 Å²	50.6	8%	0.082	26%	0.261	C	S	.	.	H	α-helix	trans	-56.3	-50.9	176.8	-71.2	167.6	0	0	0	111.1	Q130 L131 L134 L149 T155 I156 S157	Q130-I153 HydrophobicContact CG-CD1 4.4Å; Q130-I153 HydrophobicContact CG-CG1 4.15Å; Q130-I153 VanDerWaalsContact OE1-CG2 3.27Å; L131-I153 HydrophobicContact CB-CD1 3.95Å; L131-I153 HydrophobicContact CD1-CD1 3.67Å; L131-I153 HydrophobicContact CG-CD1 4.44Å; L134-I153 HydrophobicContact CD1-CD1 4.29Å; L134-I153 HydrophobicContact CD1-CG1 3.38Å; L149-I153 WeakPolarHBondContact O-CG1 3.39Å; L149-I153 PolarHBondContact O-N 3.12Å; I153-T155 VanDerWaalsContact C-N 3.28Å; I153-T155 PolarHBondContact O-N 3.48Å; I153-I156 PolarHBondContact O-N 3.44Å; I153-S157 WeakPolarHBondContact O-CB 3.44Å; I153-S157 PolarHBondContact O-N 3.02Å
154	S	92	Very high	92.3	Very high	53 Å²	53	46.3 Å²	46.3	37%	0.371	24%	0.24	S	C	.	.	H	α-helix	trans	-60.2	-40.5	179.8	-175.8	0	0	0	0	111.7	Q150 Q151 L152 S157 N158	Q150-S154 WeakPolarHBondContact O-CB 3.17Å; Q150-S154 PolarHBondContact O-N 2.86Å; Q151-S154 PolarHBondContact O-N 2.78Å; L152-S154 PolarHBondContact O-N 2.8Å; S154-S157 PolarHBondContact O-N 3.38Å; S154-N158 WeakPolarHBondContact O-CB 3.28Å; S154-N158 VanDerWaalsContact O-CG 3.22Å; S154-N158 PolarHBondContact O-N 3.45Å; S154-N158 PolarHBondContact O-ND2 3.11Å
155	T	93.9	Very high	92.5	Very high	26 Å²	26	42.3 Å²	42.3	16%	0.16	22%	0.22	C	C	.	.	H	α-helix	trans	-66.5	-43.8	178.7	-51.5	0	0	0	0	111.5	Q151 L152 I153 N158 W159 F181	Q151-T155 WeakPolarHBondContact O-CB 3.43Å; Q151-T155 PolarHBondContact O-N 3.29Å; Q151-T155 PolarHBondContact O-OG1 3.22Å; L152-T155 PolarHBondContact O-N 3.12Å; I153-T155 VanDerWaalsContact C-N 3.28Å; I153-T155 PolarHBondContact O-N 3.48Å; T155-N158 PolarHBondContact O-N 2.96Å; T155-W159 HydrophobicContact CG2-CD2 4.02Å; T155-W159 HydrophobicContact CG2-CE3 4.09Å; T155-W159 HydrophobicContact CG2-CH2 3.53Å; T155-W159 HydrophobicContact CG2-CZ2 3.43Å; T155-W159 VanDerWaalsContact CG2-CZ2 3.43Å; T155-W159 HydrophobicContact CG2-CZ3 3.85Å; T155-W159 PolarHBondContact O-N 3.13Å; T155-F181 HydrophobicContact CG2-CD2 4.15Å
156	I	95.5	Very high	92.8	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.9	-48	173.8	-69.9	172.6	0	0	0	110.5	L134 L152 I153 N158 W159 K160 Y185 Y188	L134-I156 HydrophobicContact CD1-CD1 4.18Å; L134-I156 HydrophobicContact CD2-CD1 4Å; L152-I156 HydrophobicContact CD1-CD1 3.82Å; L152-I156 HydrophobicContact CD1-CG1 4.12Å; L152-I156 HydrophobicContact CG-CD1 3.96Å; L152-I156 WeakPolarHBondContact O-CG1 3.39Å; L152-I156 PolarHBondContact O-N 3.08Å; I153-I156 PolarHBondContact O-N 3.44Å; I156-N158 VanDerWaalsContact C-N 3.32Å; I156-N158 PolarHBondContact O-N 3.28Å; I156-W159 HydrophobicContact CG1-CE3 4.32Å; I156-W159 HydrophobicContact CG1-CZ3 4.37Å; I156-W159 PolarHBondContact O-N 2.91Å; I156-W159 VanDerWaalsContact O-N 3.17Å; I156-K160 HydrophobicContact CG2-CD 4.4Å; I156-K160 HydrophobicContact CG2-CG 4.49Å; I156-K160 WeakPolarHBondContact O-CG 3.33Å; I156-K160 PolarHBondContact O-N 3.12Å; I156-Y185 HydrophobicContact CB-CD2 4.48Å; I156-Y185 HydrophobicContact CD1-CD2 4.39Å; I156-Y185 HydrophobicContact CG1-CD2 4.15Å; I156-Y185 HydrophobicContact CG1-CG 4.07Å; I156-Y185 HydrophobicContact CG2-CD2 3.65Å; I156-Y185 HydrophobicContact CG2-CE2 3.86Å; I156-Y185 HydrophobicContact CG2-CG 4.26Å; I156-Y188 HydrophobicContact CD1-CD1 4.49Å; I156-Y188 HydrophobicContact CG2-CD1 4.35Å; I156-Y188 HydrophobicContact CG2-CE1 4.48Å
157	S	93.7	Very high	93.2	Very high	25 Å²	25	37.6 Å²	37.6	18%	0.175	21%	0.21	C	C	.	.	H	α-helix	trans	-58.7	-44.3	178.6	-176.4	0	0	0	0	111.4	I153 S154 W159 K160 N161 D201	I153-S157 WeakPolarHBondContact O-CB 3.44Å; I153-S157 PolarHBondContact O-N 3.02Å; S154-S157 PolarHBondContact O-N 3.38Å; S157-W159 PolarHBondContact O-N 2.73Å; S157-K160 PolarHBondContact O-N 3.17Å; S157-N161 VanDerWaalsContact O-CB 3.31Å; S157-N161 WeakPolarHBondContact O-CB 3.27Å; S157-N161 VanDerWaalsContact O-CG 3.25Å; S157-N161 PolarHBondContact O-N 3.42Å; S157-N161 PolarHBondContact O-ND2 3.21Å; S157-N161 VanDerWaalsContact O-ND2 3.08Å; S157-N161 PolarHBondContact OG-ND2 3.2Å; S157-D201 VanDerWaalsContact CA-OD2 3.25Å; S157-D201 WeakPolarHBondContact CA-OD2 3.3Å; S157-D201 WeakPolarHBondContact CB-OD2 3.13Å; S157-D201 VanDerWaalsContact OG-CG 3.26Å; S157-D201 PolarHBondContact OG-OD1 2.97Å; S157-D201 PolarHBondContact OG-OD2 3.42Å
158	N	92.3	Very high	93.5	Very high	54 Å²	54	38.1 Å²	38.1	29%	0.289	21%	0.207	S	C	.	.	H	α-helix	trans	-63.3	-40.8	175.9	-71.7	-29.2	0	0	0	112.5	S154 T155 I156 N161 D162	S154-N158 WeakPolarHBondContact O-CB 3.28Å; S154-N158 VanDerWaalsContact O-CG 3.22Å; S154-N158 PolarHBondContact O-N 3.45Å; S154-N158 PolarHBondContact O-ND2 3.11Å; T155-N158 PolarHBondContact O-N 2.96Å; I156-N158 VanDerWaalsContact C-N 3.32Å; I156-N158 PolarHBondContact O-N 3.28Å; N158-N161 PolarHBondContact O-N 3.31Å; N158-D162 WeakPolarHBondContact O-CB 3.42Å; N158-D162 PolarHBondContact O-N 2.85Å
159	W	94.8	Very high	93.6	Very high	20 Å²	20	36.5 Å²	36.5	8%	0.076	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-43.1	173.6	-71	-31.2	0	0	0	112.3	T155 I156 S157 D162 L163 K164 A169 F181 A182 Y185	T155-W159 HydrophobicContact CG2-CD2 4.02Å; T155-W159 HydrophobicContact CG2-CE3 4.09Å; T155-W159 HydrophobicContact CG2-CH2 3.53Å; T155-W159 HydrophobicContact CG2-CZ2 3.43Å; T155-W159 VanDerWaalsContact CG2-CZ2 3.43Å; T155-W159 HydrophobicContact CG2-CZ3 3.85Å; T155-W159 PolarHBondContact O-N 3.13Å; I156-W159 HydrophobicContact CG1-CE3 4.32Å; I156-W159 HydrophobicContact CG1-CZ3 4.37Å; I156-W159 PolarHBondContact O-N 2.91Å; I156-W159 VanDerWaalsContact O-N 3.17Å; S157-W159 PolarHBondContact O-N 2.73Å; W159-D162 CarbonylContact O-C 3.56Å; W159-D162 PolarHBondContact O-N 2.9Å; W159-L163 PolarHBondContact O-N 2.99Å; W159-K164 HydrophobicContact CB-CB 4.24Å; W159-K164 WeakPolarHBondContact O-CB 3.29Å; W159-K164 PolarHBondContact O-N 3.15Å; W159-A169 HydrophobicContact CB-CB 4.48Å; W159-A169 HydrophobicContact CD2-CB 3.72Å; W159-A169 HydrophobicContact CE3-CB 3.97Å; W159-A169 HydrophobicContact CG-CB 3.97Å; W159-A169 HydrophobicContact CZ3-CB 4.49Å; W159-F181 HydrophobicContact CH2-CB 3.61Å; W159-F181 HydrophobicContact CZ3-CB 4.04Å; W159-A182 HydrophobicContact CH2-CB 4.08Å; W159-A182 HydrophobicContact CZ3-CB 4.41Å; W159-Y185 HydrophobicContact CB-CE1 4.25Å; W159-Y185 AromaticContact CE3-CD1 3.74Å; W159-Y185 HydrophobicContact CE3-CD1 3.74Å; W159-Y185 HydrophobicContact CE3-CG 4.24Å; W159-Y185 HydrophobicContact CZ3-CD1 4.38Å
160	K	95.4	Very high	93.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-43.3	174.4	-70.2	-171.2	173.9	-161.6	0	111.8	I156 S157 D162 L163 Y185 D199 D201 D202 L205	I156-K160 HydrophobicContact CG2-CD 4.4Å; I156-K160 HydrophobicContact CG2-CG 4.49Å; I156-K160 WeakPolarHBondContact O-CG 3.33Å; I156-K160 PolarHBondContact O-N 3.12Å; S157-K160 PolarHBondContact O-N 3.17Å; K160-D162 PolarHBondContact O-N 2.92Å; K160-L163 PolarHBondContact O-N 3.37Å; K160-Y185 HydrophobicContact CG-CE2 4.32Å; K160-Y185 WeakPolarHBondContact CG-OH 3.42Å; K160-D199 IonicContact NZ-OD1 2.74Å; K160-D199 PolarHBondContact NZ-OD1 3.07Å; K160-D199 IonicContact NZ-OD2 2.65Å; K160-D199 PolarHBondContact NZ-OD2 2.79Å; K160-D201 HydrophobicContact CB-CB 3.73Å; K160-D201 HydrophobicContact CD-CB 3.63Å; K160-D201 HydrophobicContact CG-CB 4.33Å; K160-D202 WeakPolarHBondContact CE-OD1 3.41Å; K160-D202 IonicContact NZ-OD1 3.57Å; K160-D202 PolarHBondContact NZ-OD1 3.36Å; K160-D202 IonicContact NZ-OD2 3.08Å; K160-D202 PolarHBondContact NZ-OD2 2.97Å; K160-L205 HydrophobicContact CB-CD2 4.15Å; K160-L205 HydrophobicContact CD-CD2 4.35Å; K160-L205 HydrophobicContact CG-CD2 3.96Å
161	N	92.6	Very high	93.9	Very high	6 Å²	6	38.4 Å²	38.4	3%	0.032	23%	0.231	C	C	.	.	H	α-helix	trans	-64.5	-25.9	176.9	-75.2	-38.1	0	0	0	112.9	S157 N158 L163 D201 N237 T238 S239	S157-N161 VanDerWaalsContact O-CB 3.31Å; S157-N161 WeakPolarHBondContact O-CB 3.27Å; S157-N161 VanDerWaalsContact O-CG 3.25Å; S157-N161 PolarHBondContact O-N 3.42Å; S157-N161 PolarHBondContact O-ND2 3.21Å; S157-N161 VanDerWaalsContact O-ND2 3.08Å; S157-N161 PolarHBondContact OG-ND2 3.2Å; N158-N161 PolarHBondContact O-N 3.31Å; N161-L163 VanDerWaalsContact C-N 3.34Å; N161-D201 PolarHBondContact ND2-OD1 3.15Å; N161-N237 HydrophobicContact CB-CB 4.42Å; N161-N237 VanDerWaalsContact CG-ND2 3.27Å; N161-N237 PolarHBondContact OD1-ND2 3.08Å; N161-T238 VanDerWaalsContact O-CB 3.3Å; N161-T238 WeakPolarHBondContact O-CB 3.3Å; N161-S239 WeakPolarHBondContact O-CB 3.16Å; N161-S239 PolarHBondContact O-N 3.26Å
162	D	92.2	Very high	93.9	Very high	46 Å²	46	36.8 Å²	36.8	25%	0.246	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	11.3	172	-78.3	-9.9	0	0	0	114.1	N158 W159 K160 K164 T238 R271	N158-D162 WeakPolarHBondContact O-CB 3.42Å; N158-D162 PolarHBondContact O-N 2.85Å; W159-D162 CarbonylContact O-C 3.56Å; W159-D162 PolarHBondContact O-N 2.9Å; K160-D162 PolarHBondContact O-N 2.92Å; D162-K164 HydrophobicContact CB-CD 4.47Å; D162-K164 HydrophobicContact CB-CG 4.28Å; D162-K164 PolarHBondContact O-N 3.06Å; D162-T238 PolarHBondContact OD1-OG1 2.88Å; D162-R271 IonicContact OD1-CZ 2.79Å; D162-R271 IonicContact OD1-NE 2.65Å; D162-R271 IonicContact OD1-NH2 3.4Å; D162-R271 PolarHBondContact OD1-NH2 3.03Å; D162-R271 IonicContact OD2-NH2 3.25Å; D162-R271 PolarHBondContact OD2-NH2 2.77Å
163	L	94.2	Very high	93.7	Very high	24 Å²	24	37.5 Å²	37.5	13%	0.126	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	27.2	-179.6	-57	172.4	0	0	0	114.1	W159 K160 N161 Q168 L205 T208 S239 E242	W159-L163 PolarHBondContact O-N 2.99Å; K160-L163 PolarHBondContact O-N 3.37Å; N161-L163 VanDerWaalsContact C-N 3.34Å; L163-Q168 PolarHBondContact O-OE1 3.45Å; L163-L205 HydrophobicContact CB-CD1 4.38Å; L163-L205 HydrophobicContact CD2-CD1 3.6Å; L163-T208 HydrophobicContact CD1-CG2 3.95Å; L163-T208 HydrophobicContact CD2-CG2 3.89Å; L163-S239 VanDerWaalsContact CD2-CB 3.47Å; L163-E242 HydrophobicContact CD1-CB 3.86Å; L163-E242 HydrophobicContact CD1-CG 3.86Å
164	K	93.6	Very high	93.6	Very high	62 Å²	62	43.6 Å²	43.6	27%	0.27	27%	0.266	S	S	.	.			trans	-89.9	121.3	178.5	-65	-178.7	178.4	-178.6	0	110.7	W159 D162 Q168 S172 Y185	W159-K164 HydrophobicContact CB-CB 4.24Å; W159-K164 WeakPolarHBondContact O-CB 3.29Å; W159-K164 PolarHBondContact O-N 3.15Å; D162-K164 HydrophobicContact CB-CD 4.47Å; D162-K164 HydrophobicContact CB-CG 4.28Å; D162-K164 PolarHBondContact O-N 3.06Å; K164-Q168 HydrophobicContact CB-CB 4.25Å; K164-S172 PolarHBondContact NZ-OG 2.69Å; K164-Y185 PolarHBondContact O-OH 3.26Å
165	T	92.5	Very high	93.6	Very high	37 Å²	37	43 Å²	43	23%	0.227	27%	0.269	C	S	.	.			trans	-69.1	162.5	168.3	67.8	0	0	0	0	110.9	S167 Q168 A169	T165-S167 PolarHBondContact O-N 3.04Å; T165-S167 VanDerWaalsContact O-N 3.15Å; T165-Q168 WeakPolarHBondContact O-CA 3.49Å; T165-Q168 PolarHBondContact O-N 2.91Å; T165-Q168 WeakPolarHBondContact OG1-CG 3.49Å; T165-Q168 PolarHBondContact OG1-N 3.01Å; T165-Q168 PolarHBondContact OG1-OE1 3.36Å; T165-A169 PolarHBondContact O-N 2.98Å
166	P	93.9	Very high	93.5	Very high	18 Å²	18	47.6 Å²	47.6	12%	0.117	29%	0.288	C	S	.	.	H	α-helix	trans	-52.6	-39	176.6	-28.1	34	0	0	0	113.7	A169 A170 Y185 D189	P166-A169 PolarHBondContact O-N 3.37Å; P166-A170 WeakPolarHBondContact O-CB 3.44Å; P166-A170 PolarHBondContact O-N 2.89Å; P166-Y185 HydrophobicContact CB-CD1 4.09Å; P166-Y185 HydrophobicContact CB-CE1 4.24Å; P166-Y185 HydrophobicContact CB-CG 4.37Å; P166-Y185 HydrophobicContact CG-CD1 4.05Å; P166-Y185 HydrophobicContact CG-CD2 4.24Å; P166-Y185 HydrophobicContact CG-CE1 3.83Å; P166-Y185 HydrophobicContact CG-CE2 4Å; P166-Y185 HydrophobicContact CG-CG 4.23Å; P166-D189 HydrophobicContact CG-CB 3.65Å
167	S	94.5	Very high	93.4	Very high	95 Å²	95	53.6 Å²	53.6	66%	0.664	31%	0.311	S	S	*	.	H	α-helix	trans	-65.8	-38.5	176.2	-49.1	0	0	0	0	112.7	T165 A171	T165-S167 PolarHBondContact O-N 3.04Å; T165-S167 VanDerWaalsContact O-N 3.15Å; S167-A171 WeakPolarHBondContact O-CB 3.39Å; S167-A171 PolarHBondContact O-N 2.8Å
168	Q	94.9	Very high	93.3	Very high	101 Å²	101	54 Å²	54	47%	0.472	31%	0.312	S	S	.	.	H	α-helix	trans	-72.3	-38.5	176.3	-70.7	170.7	-37.7	0	0	111.8	L163 K164 T165 A171 S172	L163-Q168 PolarHBondContact O-OE1 3.45Å; K164-Q168 HydrophobicContact CB-CB 4.25Å; T165-Q168 WeakPolarHBondContact O-CA 3.49Å; T165-Q168 PolarHBondContact O-N 2.91Å; T165-Q168 WeakPolarHBondContact OG1-CG 3.49Å; T165-Q168 PolarHBondContact OG1-N 3.01Å; T165-Q168 PolarHBondContact OG1-OE1 3.36Å; Q168-A171 PolarHBondContact O-N 3.34Å; Q168-S172 PolarHBondContact O-N 3.45Å; Q168-S172 PolarHBondContact O-OG 3.35Å
169	A	94.8	Very high	93.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-58.5	-48.6	173.5	0	0	0	0	0	110.4	W159 T165 P166 A171 S172 A173 A182 Y185	W159-A169 HydrophobicContact CB-CB 4.48Å; W159-A169 HydrophobicContact CD2-CB 3.72Å; W159-A169 HydrophobicContact CE3-CB 3.97Å; W159-A169 HydrophobicContact CG-CB 3.97Å; W159-A169 HydrophobicContact CZ3-CB 4.49Å; T165-A169 PolarHBondContact O-N 2.98Å; P166-A169 PolarHBondContact O-N 3.37Å; A169-A171 VanDerWaalsContact C-N 3.34Å; A169-A171 PolarHBondContact O-N 2.99Å; A169-S172 CarbonylContact O-C 3.54Å; A169-S172 PolarHBondContact O-N 3.5Å; A169-S172 VanDerWaalsContact O-N 3.11Å; A169-S172 PolarHBondContact O-OG 3.22Å; A169-A173 PolarHBondContact O-N 3.43Å; A169-A182 HydrophobicContact CB-CB 4.38Å; A169-Y185 HydrophobicContact CB-CD1 3.97Å; A169-Y185 HydrophobicContact CB-CE1 4.34Å
170	A	94.6	Very high	93.4	Very high	52 Å²	52	60.2 Å²	60.2	43%	0.43	33%	0.334	S	S	.	.	H	α-helix	trans	-60.3	-40	176.2	0	0	0	0	0	112.9	P166 S172 A173 A182	P166-A170 WeakPolarHBondContact O-CB 3.44Å; P166-A170 PolarHBondContact O-N 2.89Å; A170-S172 VanDerWaalsContact C-N 3.31Å; A170-S172 PolarHBondContact O-N 2.82Å; A170-A173 PolarHBondContact O-N 2.78Å; A170-A182 HydrophobicContact CB-CB 3.97Å
171	A	94.9	Very high	93.5	Very high	90 Å²	90	60.3 Å²	60.3	74%	0.744	34%	0.335	S	S	*	.	H	α-helix	trans	-67.7	-30.7	176.3	0	0	0	0	0	113	S167 Q168 A169	S167-A171 WeakPolarHBondContact O-CB 3.39Å; S167-A171 PolarHBondContact O-N 2.8Å; Q168-A171 PolarHBondContact O-N 3.34Å; A169-A171 VanDerWaalsContact C-N 3.34Å; A169-A171 PolarHBondContact O-N 2.99Å
172	S	92.8	Very high	93.7	Very high	47 Å²	47	60.2 Å²	60.2	33%	0.329	33%	0.334	S	S	.	.	H	α-helix	trans	-94.1	0.5	178.9	71.6	0	0	0	0	114.6	K164 Q168 A169 A170 I174	K164-S172 PolarHBondContact NZ-OG 2.69Å; Q168-S172 PolarHBondContact O-N 3.45Å; Q168-S172 PolarHBondContact O-OG 3.35Å; A169-S172 CarbonylContact O-C 3.54Å; A169-S172 PolarHBondContact O-N 3.5Å; A169-S172 VanDerWaalsContact O-N 3.11Å; A169-S172 PolarHBondContact O-OG 3.22Å; A170-S172 VanDerWaalsContact C-N 3.31Å; A170-S172 PolarHBondContact O-N 2.82Å; S172-I174 PolarHBondContact O-N 3.23Å
173	A	91.4	Very high	93.9	Very high	16 Å²	16	63.1 Å²	63.1	13%	0.132	35%	0.346	C	S	.	.			trans	-69.4	126.2	-174.5	0	0	0	0	0	111.7	A169 A170 D178 R179 A182	A169-A173 PolarHBondContact O-N 3.43Å; A170-A173 PolarHBondContact O-N 2.78Å; A173-D178 HydrophobicContact CB-CB 4.04Å; A173-R179 HydrophobicContact CB-CG 3.94Å; A173-A182 HydrophobicContact CB-CB 4.46Å
174	I	90.9	Very high	93.9	Very high	143 Å²	143	62 Å²	62	73%	0.733	34%	0.34	S	S	*	.			trans	-112	115.8	179.7	-55.7	175.9	0	0	0	108.7	S172	S172-I174 PolarHBondContact O-N 3.23Å
175	G	92.7	Very high	94.1	Very high	41 Å²	41	59.1 Å²	59.1	42%	0.423	33%	0.328	S	S	.	.	S	Bend	trans	88.1	170.4	-178.5	0	0	0	0	0	114	R179	G175-R179 WeakPolarHBondContact O-CG 3.42Å; G175-R179 PolarHBondContact O-N 3.29Å
176	E	91.9	Very high	94.3	Very high	123 Å²	123	58.6 Å²	58.6	58%	0.575	33%	0.33	S	S	*	.	H	α-helix	trans	-69.7	-44	-170.6	-168.1	59.6	-160.5	0	0	112.5	D178 R179 I180	E176-D178 VanDerWaalsContact C-N 3.34Å; E176-D178 PolarHBondContact O-N 3.26Å; E176-R179 WeakPolarHBondContact O-CB 3.41Å; E176-R179 PolarHBondContact O-N 2.92Å; E176-R179 IonicContact OE2-NH1 2.93Å; E176-I180 HydrophobicContact CG-CD1 4.22Å; E176-I180 WeakPolarHBondContact O-CG1 3.18Å; E176-I180 PolarHBondContact O-N 3.14Å
177	R	92	Very high	94.2	Very high	125 Å²	125	60.8 Å²	60.8	47%	0.472	34%	0.34	S	S	.	.	H	α-helix	trans	-56.6	-47.9	178.3	-173	-164.4	67.2	171	-1.8	111.7	R179 I180 F181	R177-R179 VanDerWaalsContact C-N 3.3Å; R177-R179 PolarHBondContact O-N 3.47Å; R177-I180 PolarHBondContact O-N 2.96Å; R177-F181 HydrophobicContact CG-CD1 4.25Å; R177-F181 HydrophobicContact CG-CD2 4.41Å; R177-F181 HydrophobicContact CG-CE1 3.97Å; R177-F181 HydrophobicContact CG-CE2 4.13Å; R177-F181 HydrophobicContact CG-CG 4.48Å; R177-F181 HydrophobicContact CG-CZ 3.91Å; R177-F181 WeakPolarHBondContact O-CB 3.26Å; R177-F181 WeakPolarHBondContact O-CD1 3.26Å; R177-F181 WeakPolarHBondContact O-CG 3.27Å; R177-F181 PolarHBondContact O-N 3.24Å
178	D	92.5	Very high	94.3	Very high	35 Å²	35	56.2 Å²	56.2	19%	0.187	31%	0.309	C	S	.	.	H	α-helix	trans	-68	-31.6	-177.4	-73.9	17.7	0	0	0	111.8	A173 E176 F181 A182	A173-D178 HydrophobicContact CB-CB 4.04Å; E176-D178 VanDerWaalsContact C-N 3.34Å; E176-D178 PolarHBondContact O-N 3.26Å; D178-F181 PolarHBondContact O-N 3.39Å; D178-A182 VanDerWaalsContact O-CB 3.28Å; D178-A182 WeakPolarHBondContact O-CB 3.33Å; D178-A182 PolarHBondContact O-N 3.07Å
179	R	94.6	Very high	94.2	Very high	150 Å²	150	52.5 Å²	52.5	57%	0.566	29%	0.292	S	S	*	.	H	α-helix	trans	-66.3	-44.3	172.5	-73.1	175	-177.4	171.1	-0.8	111.8	A173 G175 E176 R177 A182 H183	A173-R179 HydrophobicContact CB-CG 3.94Å; G175-R179 WeakPolarHBondContact O-CG 3.42Å; G175-R179 PolarHBondContact O-N 3.29Å; E176-R179 WeakPolarHBondContact O-CB 3.41Å; E176-R179 PolarHBondContact O-N 2.92Å; E176-R179 IonicContact OE2-NH1 2.93Å; R177-R179 VanDerWaalsContact C-N 3.3Å; R177-R179 PolarHBondContact O-N 3.47Å; R179-A182 PolarHBondContact O-N 3.18Å; R179-H183 PolarHBondContact O-N 2.68Å
180	I	95.1	Very high	93.9	Very high	54 Å²	54	55.2 Å²	55.2	28%	0.277	31%	0.314	S	S	.	.	H	α-helix	trans	-60.8	-48.7	174.6	-65.5	168.6	0	0	0	109.3	I142 E176 R177 A182 H183 C184	I142-I180 HydrophobicContact CG2-CG2 3.7Å; E176-I180 HydrophobicContact CG-CD1 4.22Å; E176-I180 WeakPolarHBondContact O-CG1 3.18Å; E176-I180 PolarHBondContact O-N 3.14Å; R177-I180 PolarHBondContact O-N 2.96Å; I180-A182 VanDerWaalsContact C-N 3.3Å; I180-A182 PolarHBondContact O-N 2.9Å; I180-H183 WeakPolarHBondContact O-CB 3.46Å; I180-H183 PolarHBondContact O-N 2.95Å; I180-H183 VanDerWaalsContact O-N 3.08Å; I180-C184 PolarHBondContact O-N 2.9Å; I180-C184 PolarHBondContact O-SG 3.39Å
181	F	96.7	Very high	93.6	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.009	31%	0.305	C	S	.	.	H	α-helix	trans	-61.1	-38.3	179	-76.7	11.6	0	0	0	112.2	I142 L148 Q151 L152 T155 W159 R177 D178 C184 Y185	I142-F181 HydrophobicContact CG2-CE1 4.46Å; L148-F181 HydrophobicContact CD1-CE1 4.3Å; L148-F181 HydrophobicContact CD1-CZ 3.89Å; L148-F181 HydrophobicContact CG-CZ 4.45Å; Q151-F181 HydrophobicContact CB-CE2 4.27Å; Q151-F181 HydrophobicContact CB-CZ 4.42Å; L152-F181 HydrophobicContact CB-CD1 4.49Å; L152-F181 HydrophobicContact CB-CE1 4.21Å; L152-F181 HydrophobicContact CB-CE2 4.24Å; L152-F181 HydrophobicContact CB-CZ 4.07Å; L152-F181 HydrophobicContact CD1-CB 3.72Å; L152-F181 HydrophobicContact CD1-CD1 3.72Å; L152-F181 HydrophobicContact CD1-CD2 4.03Å; L152-F181 HydrophobicContact CD1-CE1 4.28Å; L152-F181 HydrophobicContact CD1-CG 3.56Å; T155-F181 HydrophobicContact CG2-CD2 4.15Å; W159-F181 HydrophobicContact CH2-CB 3.61Å; W159-F181 HydrophobicContact CZ3-CB 4.04Å; R177-F181 HydrophobicContact CG-CD1 4.25Å; R177-F181 HydrophobicContact CG-CD2 4.41Å; R177-F181 HydrophobicContact CG-CE1 3.97Å; R177-F181 HydrophobicContact CG-CE2 4.13Å; R177-F181 HydrophobicContact CG-CG 4.48Å; R177-F181 HydrophobicContact CG-CZ 3.91Å; R177-F181 WeakPolarHBondContact O-CB 3.26Å; R177-F181 WeakPolarHBondContact O-CD1 3.26Å; R177-F181 WeakPolarHBondContact O-CG 3.27Å; R177-F181 PolarHBondContact O-N 3.24Å; D178-F181 PolarHBondContact O-N 3.39Å; F181-C184 PolarHBondContact O-N 2.87Å; F181-Y185 WeakPolarHBondContact O-CB 3.36Å; F181-Y185 PolarHBondContact O-N 3.26Å
182	A	96.6	Very high	93.3	Very high	3 Å²	3	51 Å²	51	3%	0.025	27%	0.27	C	S	.	.	H	α-helix	trans	-67.4	-35.6	175.4	0	0	0	0	0	112.3	W159 A169 A170 A173 D178 R179 I180 Y185 G186	W159-A182 HydrophobicContact CH2-CB 4.08Å; W159-A182 HydrophobicContact CZ3-CB 4.41Å; A169-A182 HydrophobicContact CB-CB 4.38Å; A170-A182 HydrophobicContact CB-CB 3.97Å; A173-A182 HydrophobicContact CB-CB 4.46Å; D178-A182 VanDerWaalsContact O-CB 3.28Å; D178-A182 WeakPolarHBondContact O-CB 3.33Å; D178-A182 PolarHBondContact O-N 3.07Å; R179-A182 PolarHBondContact O-N 3.18Å; I180-A182 VanDerWaalsContact C-N 3.3Å; I180-A182 PolarHBondContact O-N 2.9Å; A182-Y185 PolarHBondContact O-N 3.11Å; A182-G186 PolarHBondContact O-N 3.21Å; A182-G186 VanDerWaalsContact O-N 3.08Å
183	H	96	Very high	93.1	Very high	108 Å²	108	55.3 Å²	55.3	50%	0.5	28%	0.283	S	S	.	.	H	α-helix	trans	-65	-47.2	171.8	-177	60.2	0	0	0	111.5	R179 I180 Y185 G186 L187	R179-H183 PolarHBondContact O-N 2.68Å; I180-H183 WeakPolarHBondContact O-CB 3.46Å; I180-H183 PolarHBondContact O-N 2.95Å; I180-H183 VanDerWaalsContact O-N 3.08Å; H183-Y185 VanDerWaalsContact C-N 3.26Å; H183-Y185 PolarHBondContact O-N 3.38Å; H183-G186 WeakPolarHBondContact O-CA 3.32Å; H183-G186 PolarHBondContact O-N 3.28Å; H183-L187 PolarHBondContact O-N 3.28Å; H183-L187 VanDerWaalsContact O-N 3.1Å
184	C	96	Very high	92.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58.5	-38.8	174.2	-62.2	0	0	0	0	111.8	T138 L152 I180 F181 G186 L187 Y188	T138-C184 HydrophobicContact CG2-CB 3.79Å; T138-C184 VanDerWaalsContact CG2-SG 3.52Å; L152-C184 HydrophobicContact CD1-CB 4.02Å; L152-C184 HydrophobicContact CD2-CB 4.08Å; I180-C184 PolarHBondContact O-N 2.9Å; I180-C184 PolarHBondContact O-SG 3.39Å; F181-C184 PolarHBondContact O-N 2.87Å; C184-G186 VanDerWaalsContact C-N 3.33Å; C184-G186 PolarHBondContact O-N 2.78Å; C184-L187 PolarHBondContact O-N 3.35Å; C184-Y188 WeakPolarHBondContact O-CB 3.47Å; C184-Y188 PolarHBondContact O-N 3.14Å
185	Y	97.5	Very high	92.2	Very high	1 Å²	1	51.7 Å²	51.7	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-61.1	-41.7	173.8	-177.8	-155.4	0	0	0	111.7	I156 W159 K160 K164 P166 A169 F181 A182 H183 L187 Y188 D189	I156-Y185 HydrophobicContact CB-CD2 4.48Å; I156-Y185 HydrophobicContact CD1-CD2 4.39Å; I156-Y185 HydrophobicContact CG1-CD2 4.15Å; I156-Y185 HydrophobicContact CG1-CG 4.07Å; I156-Y185 HydrophobicContact CG2-CD2 3.65Å; I156-Y185 HydrophobicContact CG2-CE2 3.86Å; I156-Y185 HydrophobicContact CG2-CG 4.26Å; W159-Y185 HydrophobicContact CB-CE1 4.25Å; W159-Y185 AromaticContact CE3-CD1 3.74Å; W159-Y185 HydrophobicContact CE3-CD1 3.74Å; W159-Y185 HydrophobicContact CE3-CG 4.24Å; W159-Y185 HydrophobicContact CZ3-CD1 4.38Å; K160-Y185 HydrophobicContact CG-CE2 4.32Å; K160-Y185 WeakPolarHBondContact CG-OH 3.42Å; K164-Y185 PolarHBondContact O-OH 3.26Å; P166-Y185 HydrophobicContact CB-CD1 4.09Å; P166-Y185 HydrophobicContact CB-CE1 4.24Å; P166-Y185 HydrophobicContact CB-CG 4.37Å; P166-Y185 HydrophobicContact CG-CD1 4.05Å; P166-Y185 HydrophobicContact CG-CD2 4.24Å; P166-Y185 HydrophobicContact CG-CE1 3.83Å; P166-Y185 HydrophobicContact CG-CE2 4Å; P166-Y185 HydrophobicContact CG-CG 4.23Å; A169-Y185 HydrophobicContact CB-CD1 3.97Å; A169-Y185 HydrophobicContact CB-CE1 4.34Å; F181-Y185 WeakPolarHBondContact O-CB 3.36Å; F181-Y185 PolarHBondContact O-N 3.26Å; A182-Y185 PolarHBondContact O-N 3.11Å; H183-Y185 VanDerWaalsContact C-N 3.26Å; H183-Y185 PolarHBondContact O-N 3.38Å; Y185-L187 PolarHBondContact O-N 3.33Å; Y185-Y188 HydrophobicContact CD2-CD1 4.44Å; Y185-Y188 PolarHBondContact O-N 3.15Å; Y185-D189 HydrophobicContact CD2-CB 4.37Å; Y185-D189 HydrophobicContact CE2-CB 4.06Å; Y185-D189 WeakPolarHBondContact O-CB 3.27Å; Y185-D189 PolarHBondContact O-N 2.89Å
186	G	96	Very high	91.9	Very high	26 Å²	26	50.2 Å²	50.2	27%	0.268	26%	0.256	S	S	.	.	H	α-helix	trans	-59.5	-43.3	174.6	0	0	0	0	0	113.3	A182 H183 C184 A190	A182-G186 PolarHBondContact O-N 3.21Å; A182-G186 VanDerWaalsContact O-N 3.08Å; H183-G186 WeakPolarHBondContact O-CA 3.32Å; H183-G186 PolarHBondContact O-N 3.28Å; C184-G186 VanDerWaalsContact C-N 3.33Å; C184-G186 PolarHBondContact O-N 2.78Å; G186-A190 WeakPolarHBondContact O-CB 3.38Å; G186-A190 PolarHBondContact O-N 3.18Å; G186-A190 VanDerWaalsContact O-N 3.12Å
187	L	93	Very high	91.7	Very high	64 Å²	64	44.5 Å²	44.5	34%	0.335	23%	0.229	S	C	.	.	H	α-helix	trans	-64.3	-45	175.6	-64.4	175.8	0	0	0	111.6	L141 H183 C184 Y185 A190 H191	L141-L187 HydrophobicContact CD1-CD1 3.76Å; H183-L187 PolarHBondContact O-N 3.28Å; H183-L187 VanDerWaalsContact O-N 3.1Å; C184-L187 PolarHBondContact O-N 3.35Å; Y185-L187 PolarHBondContact O-N 3.33Å; L187-A190 PolarHBondContact O-N 2.91Å; L187-H191 WeakPolarHBondContact O-CB 3.45Å; L187-H191 PolarHBondContact O-N 2.85Å
188	Y	94.5	Very high	91.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.3	-50.8	179.2	179.6	-108.2	0	0	0	112.5	Q130 L133 L134 L137 I156 C184 Y185 A190 H191 L192 D199	Q130-Y188 HydrophobicContact CG-CE2 4.05Å; Q130-Y188 WeakPolarHBondContact CG-OH 3.47Å; Q130-Y188 PolarHBondContact NE2-OH 2.91Å; L133-Y188 HydrophobicContact CD2-CD2 3.91Å; L133-Y188 HydrophobicContact CD2-CE2 3.76Å; L133-Y188 HydrophobicContact CG-CD2 4.28Å; L133-Y188 HydrophobicContact CG-CE2 4.33Å; L134-Y188 HydrophobicContact CD2-CD2 3.61Å; L134-Y188 HydrophobicContact CD2-CE2 4.39Å; L134-Y188 HydrophobicContact CD2-CG 3.81Å; L134-Y188 HydrophobicContact CG-CD2 3.83Å; L134-Y188 HydrophobicContact CG-CE2 4.15Å; L134-Y188 HydrophobicContact CG-CG 4.43Å; L137-Y188 HydrophobicContact CD1-CD2 4.34Å; I156-Y188 HydrophobicContact CD1-CD1 4.49Å; I156-Y188 HydrophobicContact CG2-CD1 4.35Å; I156-Y188 HydrophobicContact CG2-CE1 4.48Å; C184-Y188 WeakPolarHBondContact O-CB 3.47Å; C184-Y188 PolarHBondContact O-N 3.14Å; Y185-Y188 HydrophobicContact CD2-CD1 4.44Å; Y185-Y188 PolarHBondContact O-N 3.15Å; Y188-A190 VanDerWaalsContact C-N 3.33Å; Y188-A190 PolarHBondContact O-N 3Å; Y188-H191 PolarHBondContact O-N 3.36Å; Y188-L192 HydrophobicContact CD1-CD1 4.14Å; Y188-L192 HydrophobicContact CD1-CG 4.47Å; Y188-L192 HydrophobicContact CE1-CD1 3.48Å; Y188-L192 VanDerWaalsContact CE1-CD1 3.48Å; Y188-L192 HydrophobicContact CE1-CG 4.1Å; Y188-L192 HydrophobicContact CE2-CD1 4.35Å; Y188-L192 HydrophobicContact CE2-CD2 4.16Å; Y188-L192 HydrophobicContact CE2-CG 4.21Å; Y188-L192 WeakPolarHBondContact O-CG 3.41Å; Y188-L192 PolarHBondContact O-N 3.05Å; Y188-D199 WeakPolarHBondContact CE1-OD2 3.44Å; Y188-D199 PolarHBondContact OH-OD2 3.39Å
189	D	93.5	Very high	91.8	Very high	22 Å²	22	37.4 Å²	37.4	12%	0.118	20%	0.201	C	C	.	.	H	α-helix	trans	-62	-38.8	178.6	177.6	76.3	0	0	0	112.2	P166 Y185 K193	P166-D189 HydrophobicContact CG-CB 3.65Å; Y185-D189 HydrophobicContact CD2-CB 4.37Å; Y185-D189 HydrophobicContact CE2-CB 4.06Å; Y185-D189 WeakPolarHBondContact O-CB 3.27Å; Y185-D189 PolarHBondContact O-N 2.89Å; D189-K193 WeakPolarHBondContact O-CG 3.46Å; D189-K193 PolarHBondContact O-N 3.46Å; D189-K193 VanDerWaalsContact O-N 3.15Å; D189-K193 WeakPolarHBondContact OD1-CE 3.22Å; D189-K193 IonicContact OD1-NZ 3.92Å; D189-K193 PolarHBondContact OD1-NZ 3.16Å; D189-K193 WeakPolarHBondContact OD2-CE 3.42Å; D189-K193 IonicContact OD2-NZ 3.42Å; D189-K193 PolarHBondContact OD2-NZ 3.03Å
190	A	89.2	Confident	91.5	Very high	57 Å²	57	32.3 Å²	32.3	47%	0.471	18%	0.183	S	C	.	.	H	α-helix	trans	-63.8	-43.3	174.9	0	0	0	0	0	112	G186 L187 Y188 K193 A194	G186-A190 WeakPolarHBondContact O-CB 3.38Å; G186-A190 PolarHBondContact O-N 3.18Å; G186-A190 VanDerWaalsContact O-N 3.12Å; L187-A190 PolarHBondContact O-N 2.91Å; Y188-A190 VanDerWaalsContact C-N 3.33Å; Y188-A190 PolarHBondContact O-N 3Å; A190-K193 PolarHBondContact O-N 2.88Å; A190-A194 PolarHBondContact O-N 3.47Å
191	H	88	Confident	91.4	Very high	52 Å²	52	30.6 Å²	30.6	24%	0.241	17%	0.174	C	C	.	.	H	α-helix	trans	-65.1	-46.1	178.1	-170.1	-69.3	0	0	0	111.9	L133 L137 L187 Y188 K193 A194 C195	L133-H191 HydrophobicContact CD2-CB 4.46Å; L137-H191 HydrophobicContact CD1-CB 3.97Å; L187-H191 WeakPolarHBondContact O-CB 3.45Å; L187-H191 PolarHBondContact O-N 2.85Å; Y188-H191 PolarHBondContact O-N 3.36Å; H191-K193 VanDerWaalsContact C-N 3.31Å; H191-K193 PolarHBondContact O-N 3.34Å; H191-A194 PolarHBondContact O-N 2.94Å; H191-C195 PolarHBondContact CE1-SG 3.36Å; H191-C195 PolarHBondContact O-N 3.29Å; H191-C195 VanDerWaalsContact O-N 3.1Å
192	L	89.4	Confident	91.3	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.016	18%	0.175	C	C	.	.	H	α-helix	trans	-56.4	-45.8	177.1	-72.1	-168.7	0	0	0	111.8	F125 L133 Y188 A194 C195 N196 V197 D199	F125-L192 HydrophobicContact CD2-CD2 4.1Å; F125-L192 HydrophobicContact CE2-CD2 4.18Å; L133-L192 HydrophobicContact CD2-CD2 4.05Å; Y188-L192 HydrophobicContact CD1-CD1 4.14Å; Y188-L192 HydrophobicContact CD1-CG 4.47Å; Y188-L192 HydrophobicContact CE1-CD1 3.48Å; Y188-L192 VanDerWaalsContact CE1-CD1 3.48Å; Y188-L192 HydrophobicContact CE1-CG 4.1Å; Y188-L192 HydrophobicContact CE2-CD1 4.35Å; Y188-L192 HydrophobicContact CE2-CD2 4.16Å; Y188-L192 HydrophobicContact CE2-CG 4.21Å; Y188-L192 WeakPolarHBondContact O-CG 3.41Å; Y188-L192 PolarHBondContact O-N 3.05Å; L192-A194 PolarHBondContact O-N 3.32Å; L192-C195 PolarHBondContact O-N 3.12Å; L192-N196 PolarHBondContact O-N 3.02Å; L192-V197 CarbonylContact C-O 3.44Å; L192-V197 HydrophobicContact CD2-CB 3.98Å; L192-V197 HydrophobicContact CD2-CG1 3.69Å; L192-V197 PolarHBondContact O-N 3.49Å; L192-D199 HydrophobicContact CD1-CB 4.39Å
193	K	87	Confident	91.2	Very high	137 Å²	137	30.6 Å²	30.6	60%	0.596	17%	0.174	S	C	*	.	H	α-helix	trans	-63	-42.4	177.9	-74.5	170.6	-178.9	164.2	0	112.8	D189 A190 H191 N196	D189-K193 WeakPolarHBondContact O-CG 3.46Å; D189-K193 PolarHBondContact O-N 3.46Å; D189-K193 VanDerWaalsContact O-N 3.15Å; D189-K193 WeakPolarHBondContact OD1-CE 3.22Å; D189-K193 IonicContact OD1-NZ 3.92Å; D189-K193 PolarHBondContact OD1-NZ 3.16Å; D189-K193 WeakPolarHBondContact OD2-CE 3.42Å; D189-K193 IonicContact OD2-NZ 3.42Å; D189-K193 PolarHBondContact OD2-NZ 3.03Å; A190-K193 PolarHBondContact O-N 2.88Å; H191-K193 VanDerWaalsContact C-N 3.31Å; H191-K193 PolarHBondContact O-N 3.34Å; K193-N196 PolarHBondContact O-N 3.09Å
194	A	81.8	Confident	91.2	Very high	69 Å²	69	25.5 Å²	25.5	57%	0.57	15%	0.15	S	C	*	.	H	α-helix	trans	-63.4	-41.6	-179.5	0	0	0	0	0	112.2	A190 H191 L192 N196	A190-A194 PolarHBondContact O-N 3.47Å; H191-A194 PolarHBondContact O-N 2.94Å; L192-A194 PolarHBondContact O-N 3.32Å; A194-N196 VanDerWaalsContact C-N 3.28Å; A194-N196 PolarHBondContact O-N 2.81Å
195	C	82.3	Confident	91.2	Very high	13 Å²	13	25.8 Å²	25.8	9%	0.088	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	3.2	179.8	-61.6	0	0	0	0	113.8	H191 L192 V197 D414	H191-C195 PolarHBondContact CE1-SG 3.36Å; H191-C195 PolarHBondContact O-N 3.29Å; H191-C195 VanDerWaalsContact O-N 3.1Å; L192-C195 PolarHBondContact O-N 3.12Å; C195-V197 VanDerWaalsContact C-N 3.27Å; C195-V197 HydrophobicContact CB-CG2 3.66Å; C195-V197 PolarHBondContact O-N 2.98Å; C195-D414 WeakPolarHBondContact CB-O 3.36Å
196	N	86.3	Confident	91.1	Very high	11 Å²	11	27.3 Å²	27.3	6%	0.059	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	48	-173.4	-166.8	56.5	0	0	0	111.6	K119 F122 S123 L192 K193 A194	K119-N196 PolarHBondContact N-OD1 3.48Å; K119-N196 PolarHBondContact O-ND2 2.82Å; K119-N196 VanDerWaalsContact O-ND2 3.15Å; F122-N196 WeakPolarHBondContact CA-ND2 3.47Å; F122-N196 WeakPolarHBondContact CA-O 3.46Å; F122-N196 WeakPolarHBondContact CB-ND2 3.4Å; F122-N196 WeakPolarHBondContact CB-O 3.38Å; F122-N196 PolarHBondContact N-ND2 3.15Å; S123-N196 PolarHBondContact N-O 3.41Å; S123-N196 VanDerWaalsContact N-O 3.12Å; L192-N196 PolarHBondContact O-N 3.02Å; K193-N196 PolarHBondContact O-N 3.09Å; A194-N196 VanDerWaalsContact C-N 3.28Å; A194-N196 PolarHBondContact O-N 2.81Å
197	V	88.8	Confident	91.2	Very high	3 Å²	3	26 Å²	26	2%	0.018	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	146.4	179.6	178.1	0	0	0	0	108.9	S123 F125 L192 C195	S123-V197 WeakPolarHBondContact O-CA 3.45Å; F125-V197 HydrophobicContact CB-CG1 4.14Å; F125-V197 HydrophobicContact CD1-CB 4.42Å; F125-V197 HydrophobicContact CD1-CG1 3.12Å; F125-V197 HydrophobicContact CD1-CG2 4.48Å; F125-V197 HydrophobicContact CD2-CG1 4.15Å; F125-V197 HydrophobicContact CE1-CB 4.28Å; F125-V197 HydrophobicContact CE1-CG1 3.35Å; F125-V197 HydrophobicContact CE1-CG2 3.94Å; F125-V197 HydrophobicContact CE2-CG1 4.35Å; F125-V197 HydrophobicContact CG-CG1 3.54Å; F125-V197 HydrophobicContact CZ-CG1 3.96Å; F125-V197 HydrophobicContact CZ-CG2 4.45Å; L192-V197 CarbonylContact C-O 3.44Å; L192-V197 HydrophobicContact CD2-CB 3.98Å; L192-V197 HydrophobicContact CD2-CG1 3.69Å; L192-V197 PolarHBondContact O-N 3.49Å; C195-V197 VanDerWaalsContact C-N 3.27Å; C195-V197 HydrophobicContact CB-CG2 3.66Å; C195-V197 PolarHBondContact O-N 2.98Å
198	L	92.4	Very high	91.4	Very high	6 Å²	6	23 Å²	23	3%	0.031	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	142.3	171.9	-60.3	176.2	0	0	0	109.6	I109 M118 F122 S123 L124 F125 D202 L203 L206	I109-L198 HydrophobicContact CD1-CD1 3.99Å; I109-L198 HydrophobicContact CG2-CD1 4.05Å; M118-L198 HydrophobicContact CE-CD1 3.91Å; M118-L198 HydrophobicContact CE-CD2 3.48Å; M118-L198 VanDerWaalsContact CE-CD2 3.48Å; M118-L198 HydrophobicContact CE-CG 3.71Å; M118-L198 HydrophobicContact SD-CD2 4.1Å; F122-L198 HydrophobicContact CD2-CD1 3.58Å; F122-L198 HydrophobicContact CD2-CG 4.24Å; F122-L198 HydrophobicContact CE2-CD1 3.78Å; F122-L198 HydrophobicContact CG-CD1 4.05Å; F122-L198 HydrophobicContact CZ-CD1 4.41Å; S123-L198 PolarHBondContact O-N 3.49Å; L124-L198 CarbonylContact C-O 2.99Å; L124-L198 VanDerWaalsContact CA-O 3.29Å; L124-L198 WeakPolarHBondContact CA-O 3.41Å; L124-L198 HydrophobicContact CD2-CB 3.93Å; F125-L198 PolarHBondContact N-O 3.22Å; L198-D202 HydrophobicContact CB-CB 4.12Å; L198-D202 HydrophobicContact CD2-CB 3.97Å; L198-L203 HydrophobicContact CD1-CD2 4.35Å; L198-L206 HydrophobicContact CD2-CD1 3.33Å
199	D	92.9	Very high	91.4	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.021	14%	0.137	C	C	.	.			trans	-90.4	-177.8	162.7	71.9	18.8	0	0	0	111.4	Q130 K160 Y188 L192 D201 D202	Q130-D199 PolarHBondContact NE2-OD2 3.42Å; K160-D199 IonicContact NZ-OD1 2.74Å; K160-D199 PolarHBondContact NZ-OD1 3.07Å; K160-D199 IonicContact NZ-OD2 2.65Å; K160-D199 PolarHBondContact NZ-OD2 2.79Å; Y188-D199 WeakPolarHBondContact CE1-OD2 3.44Å; Y188-D199 PolarHBondContact OH-OD2 3.39Å; L192-D199 HydrophobicContact CD1-CB 4.39Å; D199-D201 PolarHBondContact OD1-N 2.94Å; D199-D202 PolarHBondContact N-OD2 3.28Å; D199-D202 WeakPolarHBondContact O-CB 3.48Å; D199-D202 PolarHBondContact O-N 3.49Å; D199-D202 PolarHBondContact OD1-N 2.95Å; D199-D202 VanDerWaalsContact OD1-OD2 3.08Å
200	F	88.7	Confident	91.5	Very high	43 Å²	43	23.6 Å²	23.6	19%	0.189	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-35.6	-173.9	-156.7	-112.2	0	0	0	112.9	H102 D202 L203 L553 M556 M557	H102-F200 HydrophobicContact CB-CE1 4.33Å; H102-F200 HydrophobicContact CB-CE2 3.9Å; H102-F200 HydrophobicContact CB-CZ 3.72Å; H102-F200 AromaticContact CD2-CD1 3.38Å; H102-F200 WeakPolarHBondContact CD2-CD1 3.34Å; H102-F200 AromaticContact CD2-CE1 3.17Å; H102-F200 WeakPolarHBondContact CD2-CE1 3.49Å; H102-F200 AromaticContact CD2-CE2 4Å; H102-F200 AromaticContact CD2-CG 3.93Å; H102-F200 AromaticContact CD2-CZ 3.49Å; H102-F200 VanDerWaalsContact CD2-CZ 3.49Å; H102-F200 WeakPolarHBondContact CD2-CZ 3.47Å; H102-F200 PolarHBondContact CD2-O 3.38Å; H102-F200 AromaticContact CE1-CD1 3.89Å; H102-F200 AromaticContact CE1-CE1 3.13Å; H102-F200 WeakPolarHBondContact CE1-CE1 3.45Å; H102-F200 AromaticContact CE1-CZ 3.7Å; H102-F200 AromaticContact CG-CD1 3.99Å; H102-F200 AromaticContact CG-CE1 3.32Å; H102-F200 AromaticContact CG-CE2 3.76Å; H102-F200 AromaticContact CG-CZ 3.17Å; H102-F200 AromaticContact ND1-CE1 3.28Å; H102-F200 VanDerWaalsContact ND1-CE1 3.28Å; H102-F200 WeakPolarHBondContact ND1-CE1 3.44Å; H102-F200 AromaticContact ND1-CZ 3.3Å; H102-F200 VanDerWaalsContact ND1-CZ 3.3Å; H102-F200 WeakPolarHBondContact ND1-CZ 3.3Å; H102-F200 AromaticContact NE2-CD1 3.35Å; H102-F200 VanDerWaalsContact NE2-CD1 3.35Å; H102-F200 WeakPolarHBondContact NE2-CD1 3.42Å; H102-F200 AromaticContact NE2-CE1 3.08Å; H102-F200 WeakPolarHBondContact NE2-CE1 3.4Å; H102-F200 AromaticContact NE2-CZ 3.83Å; F200-D202 VanDerWaalsContact C-N 3.32Å; F200-L203 HydrophobicContact CD2-CD1 4.03Å; F200-L203 HydrophobicContact CE2-CD1 4.36Å; F200-L203 VanDerWaalsContact O-CB 3.29Å; F200-L203 WeakPolarHBondContact O-CB 3.37Å; F200-L203 PolarHBondContact O-N 3.26Å; F200-L553 HydrophobicContact CD2-CD2 4.39Å; F200-L553 HydrophobicContact CE2-CD2 3.84Å; F200-M556 HydrophobicContact CB-SD 4.07Å; F200-M556 HydrophobicContact CD2-CB 4.47Å; F200-M556 HydrophobicContact CD2-CE 4.37Å; F200-M556 HydrophobicContact CD2-SD 3.57Å; F200-M556 VanDerWaalsContact CD2-SD 3.57Å; F200-M556 HydrophobicContact CE2-CB 4.26Å; F200-M556 HydrophobicContact CE2-SD 4.24Å; F200-M556 HydrophobicContact CG-SD 4.04Å; F200-M557 HydrophobicContact CE2-CG 4.31Å; F200-M557 HydrophobicContact CE2-SD 4.4Å; F200-M557 HydrophobicContact CZ-CG 3.84Å; F200-M557 HydrophobicContact CZ-SD 3.89Å
201	D	93.7	Very high	91.9	Very high	18 Å²	18	21 Å²	21	10%	0.096	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-31.2	179	-63	-49.6	0	0	0	111.1	S157 K160 N161 D199 L203 I204 L205	S157-D201 VanDerWaalsContact CA-OD2 3.25Å; S157-D201 WeakPolarHBondContact CA-OD2 3.3Å; S157-D201 WeakPolarHBondContact CB-OD2 3.13Å; S157-D201 VanDerWaalsContact OG-CG 3.26Å; S157-D201 PolarHBondContact OG-OD1 2.97Å; S157-D201 PolarHBondContact OG-OD2 3.42Å; K160-D201 HydrophobicContact CB-CB 3.73Å; K160-D201 HydrophobicContact CD-CB 3.63Å; K160-D201 HydrophobicContact CG-CB 4.33Å; N161-D201 PolarHBondContact ND2-OD1 3.15Å; D199-D201 PolarHBondContact OD1-N 2.94Å; D201-L203 PolarHBondContact O-N 3.07Å; D201-I204 PolarHBondContact O-N 3.4Å; D201-L205 WeakPolarHBondContact O-CB 3.5Å; D201-L205 PolarHBondContact O-N 3.15Å
202	D	94.7	Very high	92.3	Very high	5 Å²	5	21.9 Å²	21.9	3%	0.027	12%	0.116	C	C	.	.	H	α-helix	trans	-59.3	-28.9	173.3	-67.2	-35.5	0	0	0	112.7	K160 L198 D199 F200 I204 L206	K160-D202 WeakPolarHBondContact CE-OD1 3.41Å; K160-D202 IonicContact NZ-OD1 3.57Å; K160-D202 PolarHBondContact NZ-OD1 3.36Å; K160-D202 IonicContact NZ-OD2 3.08Å; K160-D202 PolarHBondContact NZ-OD2 2.97Å; L198-D202 HydrophobicContact CB-CB 4.12Å; L198-D202 HydrophobicContact CD2-CB 3.97Å; D199-D202 PolarHBondContact N-OD2 3.28Å; D199-D202 WeakPolarHBondContact O-CB 3.48Å; D199-D202 PolarHBondContact O-N 3.49Å; D199-D202 PolarHBondContact OD1-N 2.95Å; D199-D202 VanDerWaalsContact OD1-OD2 3.08Å; F200-D202 VanDerWaalsContact C-N 3.32Å; D202-I204 PolarHBondContact O-N 2.96Å; D202-I204 VanDerWaalsContact O-N 3.15Å; D202-L206 HydrophobicContact CB-CD1 4.15Å; D202-L206 HydrophobicContact CB-CG 4.23Å; D202-L206 WeakPolarHBondContact O-CB 3.39Å; D202-L206 WeakPolarHBondContact O-CG 3.35Å; D202-L206 PolarHBondContact O-N 2.85Å
203	L	94.4	Very high	92.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.4	-18.7	176.9	-62.2	-178.5	0	0	0	113.1	H102 G105 L106 I109 L124 L198 F200 D201 P207 L553	H102-L203 HydrophobicContact CB-CB 4.49Å; H102-L203 HydrophobicContact CB-CD1 3.99Å; G105-L203 CarbonylContact C-O 3.57Å; G105-L203 WeakPolarHBondContact CA-O 3.45Å; L106-L203 HydrophobicContact CB-CD2 4.2Å; L106-L203 HydrophobicContact CD1-CD2 3.92Å; I109-L203 HydrophobicContact CD1-CD2 3.75Å; L124-L203 HydrophobicContact CD1-CD1 4.43Å; L124-L203 HydrophobicContact CD2-CD1 4.18Å; L124-L203 HydrophobicContact CD2-CD2 3.72Å; L124-L203 HydrophobicContact CD2-CG 4.19Å; L198-L203 HydrophobicContact CD1-CD2 4.35Å; F200-L203 HydrophobicContact CD2-CD1 4.03Å; F200-L203 HydrophobicContact CE2-CD1 4.36Å; F200-L203 VanDerWaalsContact O-CB 3.29Å; F200-L203 WeakPolarHBondContact O-CB 3.37Å; F200-L203 PolarHBondContact O-N 3.26Å; D201-L203 PolarHBondContact O-N 3.07Å; L203-P207 WeakPolarHBondContact O-CD 3.47Å; L203-P207 VanDerWaalsContact O-CG 3.26Å; L203-P207 WeakPolarHBondContact O-CG 3.43Å; L203-L553 HydrophobicContact CD1-CD2 3.63Å
204	I	95.5	Very high	93	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-108.4	-43.9	174.8	-50.2	-55.9	0	0	0	110.3	F101 D201 D202 L206 P207 T208 S239 Q240 L243	F101-I204 HydrophobicContact CB-CD1 3.78Å; F101-I204 WeakPolarHBondContact O-CD1 3.46Å; D201-I204 PolarHBondContact O-N 3.4Å; D202-I204 PolarHBondContact O-N 2.96Å; D202-I204 VanDerWaalsContact O-N 3.15Å; I204-L206 PolarHBondContact O-N 2.88Å; I204-P207 WeakPolarHBondContact O-CD 3.35Å; I204-T208 WeakPolarHBondContact O-CB 3.47Å; I204-T208 PolarHBondContact O-N 2.91Å; I204-T208 VanDerWaalsContact O-N 3.14Å; I204-T208 PolarHBondContact O-OG1 3.43Å; I204-S239 WeakPolarHBondContact CG2-OG 3.45Å; I204-Q240 HydrophobicContact CG1-CG 4.48Å; I204-Q240 HydrophobicContact CG2-CG 3.93Å; I204-L243 HydrophobicContact CG2-CD2 4.16Å
205	L	95.7	Very high	93.7	Very high	7 Å²	7	28.8 Å²	28.8	4%	0.037	13%	0.132	C	C	.	.	H	α-helix	trans	-56.5	-51.1	-179.6	175.3	64.7	0	0	0	111.7	K160 L163 D201 T208 L209	K160-L205 HydrophobicContact CB-CD2 4.15Å; K160-L205 HydrophobicContact CD-CD2 4.35Å; K160-L205 HydrophobicContact CG-CD2 3.96Å; L163-L205 HydrophobicContact CB-CD1 4.38Å; L163-L205 HydrophobicContact CD2-CD1 3.6Å; D201-L205 WeakPolarHBondContact O-CB 3.5Å; D201-L205 PolarHBondContact O-N 3.15Å; L205-T208 PolarHBondContact O-N 2.97Å; L205-L209 HydrophobicContact CD1-CD1 3.73Å; L205-L209 HydrophobicContact CD1-CG 3.99Å; L205-L209 HydrophobicContact CG-CD1 3.95Å; L205-L209 HydrophobicContact CG-CG 4.47Å; L205-L209 WeakPolarHBondContact O-CG 3.43Å; L205-L209 PolarHBondContact O-N 3.48Å
206	L	95.4	Very high	94.4	Very high	32 Å²	32	34.3 Å²	34.3	17%	0.168	16%	0.157	C	C	.	.	H	α-helix	trans	-67.5	-47.4	-174.1	-63.9	-178.6	0	0	0	113.1	I109 L116 M118 L198 D202 I204 T208 L209 L210	I109-L206 HydrophobicContact CD1-CB 4.43Å; I109-L206 HydrophobicContact CG1-CB 4.47Å; L116-L206 HydrophobicContact CD2-CB 4.27Å; M118-L206 HydrophobicContact SD-CD1 4.13Å; L198-L206 HydrophobicContact CD2-CD1 3.33Å; D202-L206 HydrophobicContact CB-CD1 4.15Å; D202-L206 HydrophobicContact CB-CG 4.23Å; D202-L206 WeakPolarHBondContact O-CB 3.39Å; D202-L206 WeakPolarHBondContact O-CG 3.35Å; D202-L206 PolarHBondContact O-N 2.85Å; I204-L206 PolarHBondContact O-N 2.88Å; L206-T208 VanDerWaalsContact C-N 3.26Å; L206-T208 PolarHBondContact O-N 2.96Å; L206-L209 PolarHBondContact O-N 2.85Å; L206-L210 VanDerWaalsContact O-CB 3.27Å; L206-L210 WeakPolarHBondContact O-CB 3.34Å; L206-L210 PolarHBondContact O-N 3.31Å
207	P	97.3	Very high	95	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-54.5	-43	171.5	-31	38.1	0	0	0	113	G105 I108 I109 L203 I204 L210 L211 L243	G105-P207 WeakPolarHBondContact O-CG 3.07Å; I108-P207 HydrophobicContact CB-CB 4.13Å; I108-P207 HydrophobicContact CB-CG 4.19Å; I108-P207 HydrophobicContact CD1-CB 4.06Å; I108-P207 HydrophobicContact CG2-CB 3.86Å; I108-P207 HydrophobicContact CG2-CG 4.25Å; I109-P207 HydrophobicContact CD1-CG 4.07Å; I109-P207 HydrophobicContact CG1-CG 3.86Å; L203-P207 WeakPolarHBondContact O-CD 3.47Å; L203-P207 VanDerWaalsContact O-CG 3.26Å; L203-P207 WeakPolarHBondContact O-CG 3.43Å; I204-P207 WeakPolarHBondContact O-CD 3.35Å; P207-L210 PolarHBondContact O-N 3.49Å; P207-L211 WeakPolarHBondContact O-CB 3.35Å; P207-L211 WeakPolarHBondContact O-CD1 3.27Å; P207-L211 WeakPolarHBondContact O-CG 3.34Å; P207-L211 PolarHBondContact O-N 3.12Å; P207-L243 HydrophobicContact CB-CD1 4.1Å
208	T	97.3	Very high	95.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.5	-51.2	-178.6	-50.9	0	0	0	0	110.3	L163 I204 L205 L206 L210 L211 Q212 S239 E242 L246	L163-T208 HydrophobicContact CD1-CG2 3.95Å; L163-T208 HydrophobicContact CD2-CG2 3.89Å; I204-T208 WeakPolarHBondContact O-CB 3.47Å; I204-T208 PolarHBondContact O-N 2.91Å; I204-T208 VanDerWaalsContact O-N 3.14Å; I204-T208 PolarHBondContact O-OG1 3.43Å; L205-T208 PolarHBondContact O-N 2.97Å; L206-T208 VanDerWaalsContact C-N 3.26Å; L206-T208 PolarHBondContact O-N 2.96Å; T208-L210 VanDerWaalsContact C-N 3.3Å; T208-L210 PolarHBondContact O-N 2.87Å; T208-L211 PolarHBondContact O-N 3.41Å; T208-Q212 WeakPolarHBondContact O-CG 3.36Å; T208-Q212 PolarHBondContact O-N 3.43Å; T208-S239 PolarHBondContact OG1-O 2.93Å; T208-E242 HydrophobicContact CG2-CB 3.97Å; T208-E242 HydrophobicContact CG2-CG 3.84Å; T208-L246 HydrophobicContact CG2-CD1 3.66Å; T208-L246 WeakPolarHBondContact O-CD1 3.39Å
209	L	94.9	Very high	95.7	Very high	23 Å²	23	41.3 Å²	41.3	12%	0.12	19%	0.187	C	C	.	.	H	α-helix	trans	-61.7	-38.1	178.1	-68.8	178.7	0	0	0	112.3	L205 L206 Q212 R213	L205-L209 HydrophobicContact CD1-CD1 3.73Å; L205-L209 HydrophobicContact CD1-CG 3.99Å; L205-L209 HydrophobicContact CG-CD1 3.95Å; L205-L209 HydrophobicContact CG-CG 4.47Å; L205-L209 WeakPolarHBondContact O-CG 3.43Å; L205-L209 PolarHBondContact O-N 3.48Å; L206-L209 PolarHBondContact O-N 2.85Å; L209-Q212 PolarHBondContact O-N 2.89Å; L209-R213 WeakPolarHBondContact O-CB 3.42Å; L209-R213 VanDerWaalsContact O-CG 3.26Å; L209-R213 WeakPolarHBondContact O-CG 3.37Å; L209-R213 PolarHBondContact O-N 3Å; L209-R213 VanDerWaalsContact O-N 3.1Å
210	L	96.3	Very high	95.9	Very high	12 Å²	12	46.4 Å²	46.4	6%	0.063	21%	0.206	C	C	.	.	H	α-helix	trans	-62.3	-49.7	176.4	179.2	65.3	0	0	0	111.3	E112 A115 L116 L206 P207 T208 Q212 R213 N214 V217	E112-L210 HydrophobicContact CB-CD2 3.64Å; E112-L210 HydrophobicContact CG-CD2 4.26Å; A115-L210 HydrophobicContact CB-CD1 4.01Å; L116-L210 HydrophobicContact CD1-CD2 4.29Å; L116-L210 HydrophobicContact CD2-CB 3.98Å; L116-L210 HydrophobicContact CD2-CD1 4.19Å; L116-L210 HydrophobicContact CD2-CD2 4.23Å; L116-L210 HydrophobicContact CD2-CG 4.36Å; L116-L210 HydrophobicContact CG-CD1 4.32Å; L116-L210 HydrophobicContact CG-CD2 3.97Å; L206-L210 VanDerWaalsContact O-CB 3.27Å; L206-L210 WeakPolarHBondContact O-CB 3.34Å; L206-L210 PolarHBondContact O-N 3.31Å; P207-L210 PolarHBondContact O-N 3.49Å; T208-L210 VanDerWaalsContact C-N 3.3Å; T208-L210 PolarHBondContact O-N 2.87Å; L210-Q212 VanDerWaalsContact C-N 3.28Å; L210-Q212 PolarHBondContact O-N 2.9Å; L210-R213 PolarHBondContact O-N 3.46Å; L210-N214 HydrophobicContact CD1-CB 4.2Å; L210-N214 WeakPolarHBondContact O-CB 3.43Å; L210-N214 PolarHBondContact O-N 2.93Å; L210-V217 HydrophobicContact CD2-CG1 3.89Å; L210-V217 HydrophobicContact CG-CG1 4.09Å
211	L	97.4	Very high	96.3	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-67.8	-28	-179.6	-66.3	168.1	0	0	0	112.4	P207 T208 V217 R218 W221 L243 L246 L247	P207-L211 WeakPolarHBondContact O-CB 3.35Å; P207-L211 WeakPolarHBondContact O-CD1 3.27Å; P207-L211 WeakPolarHBondContact O-CG 3.34Å; P207-L211 PolarHBondContact O-N 3.12Å; T208-L211 PolarHBondContact O-N 3.41Å; L211-V217 HydrophobicContact CD2-CG1 4.14Å; L211-R218 HydrophobicContact CD2-CB 4.11Å; L211-R218 WeakPolarHBondContact O-CD 3.49Å; L211-R218 PolarHBondContact O-NH1 3.04Å; L211-W221 HydrophobicContact CD2-CB 4.16Å; L211-W221 HydrophobicContact CD2-CG 4.32Å; L211-L243 HydrophobicContact CD1-CD1 3.58Å; L211-L246 HydrophobicContact CB-CB 4.07Å; L211-L246 HydrophobicContact CB-CD1 4.03Å; L211-L246 HydrophobicContact CB-CG 4.48Å; L211-L246 HydrophobicContact CD1-CB 4.4Å; L211-L247 HydrophobicContact CD1-CD2 3.86Å; L211-L247 HydrophobicContact CD1-CG 4.28Å
212	Q	95.6	Very high	96.5	Very high	72 Å²	72	45.6 Å²	45.6	34%	0.336	20%	0.202	S	C	.	.	H	α-helix	trans	-67.8	-44.7	172	-74.8	177.9	-17	0	0	111.8	T208 L209 L210 E242 L246	T208-Q212 WeakPolarHBondContact O-CG 3.36Å; T208-Q212 PolarHBondContact O-N 3.43Å; L209-Q212 PolarHBondContact O-N 2.89Å; L210-Q212 VanDerWaalsContact C-N 3.28Å; L210-Q212 PolarHBondContact O-N 2.9Å; Q212-E242 VanDerWaalsContact NE2-CG 3.31Å; Q212-E242 PolarHBondContact NE2-OE1 3.27Å; Q212-L246 HydrophobicContact CG-CD1 3.5Å; Q212-L246 HydrophobicContact CG-CD2 3.9Å; Q212-L246 HydrophobicContact CG-CG 4.3Å
213	R	95.3	Very high	96.6	Very high	184 Å²	184	48.5 Å²	48.5	69%	0.694	22%	0.218	S	C	*	.	H	α-helix	trans	-89.7	-28.5	-169.9	-64.8	172.3	-173.8	-178.5	2.9	114	L209 L210	L209-R213 WeakPolarHBondContact O-CB 3.42Å; L209-R213 VanDerWaalsContact O-CG 3.26Å; L209-R213 WeakPolarHBondContact O-CG 3.37Å; L209-R213 PolarHBondContact O-N 3Å; L209-R213 VanDerWaalsContact O-N 3.1Å; L210-R213 PolarHBondContact O-N 3.46Å
214	N	96.9	Very high	96.7	Very high	50 Å²	50	50.5 Å²	50.5	27%	0.267	23%	0.226	S	C	.	.			trans	-116.5	103.6	-175.3	-170.9	-38.2	0	0	0	110.9	L210 E216 V217 R218	L210-N214 HydrophobicContact CD1-CB 4.2Å; L210-N214 WeakPolarHBondContact O-CB 3.43Å; L210-N214 PolarHBondContact O-N 2.93Å; N214-E216 WeakPolarHBondContact OD1-CB 3.37Å; N214-E216 PolarHBondContact OD1-N 3Å; N214-E216 VanDerWaalsContact OD1-N 3.12Å; N214-V217 HydrophobicContact CB-CB 4.21Å; N214-V217 HydrophobicContact CB-CG2 4.25Å; N214-V217 PolarHBondContact OD1-N 2.96Å; N214-R218 WeakPolarHBondContact O-CB 3.33Å; N214-R218 PolarHBondContact O-N 2.94Å
215	E	96.7	Very high	96.8	Very high	119 Å²	119	50.8 Å²	50.8	56%	0.556	23%	0.228	S	C	*	.	H	α-helix	trans	-66.6	-37.6	-179	179.7	154.8	-124.5	0	0	113.4	V217 R218 E219	E215-V217 PolarHBondContact O-N 3.35Å; E215-R218 WeakPolarHBondContact O-CB 3.43Å; E215-R218 PolarHBondContact O-N 3.33Å; E215-R218 VanDerWaalsContact O-N 3.17Å; E215-R218 IonicContact OE1-NH2 3.14Å; E215-R218 PolarHBondContact OE1-NH2 2.81Å; E215-E219 HydrophobicContact CG-CG 4.49Å; E215-E219 PolarHBondContact O-N 3.42Å
216	E	97.4	Very high	96.8	Very high	130 Å²	130	55.8 Å²	55.8	61%	0.607	25%	0.246	S	C	*	.	H	α-helix	trans	-63	-44.9	179.4	-171	-160.8	144.2	0	0	111.1	N214 R218 R220	N214-E216 WeakPolarHBondContact OD1-CB 3.37Å; N214-E216 PolarHBondContact OD1-N 3Å; N214-E216 VanDerWaalsContact OD1-N 3.12Å; E216-R218 VanDerWaalsContact C-N 3.34Å; E216-R220 WeakPolarHBondContact O-CB 3.38Å; E216-R220 PolarHBondContact O-N 3.42Å; E216-R220 VanDerWaalsContact O-N 3.14Å; E216-R220 IonicContact OE1-CZ 3.63Å; E216-R220 IonicContact OE1-NH2 3.78Å; E216-R220 PolarHBondContact OE1-NH2 2.92Å
217	V	97.6	Very high	97	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.018	24%	0.238	C	C	.	.	H	α-helix	trans	-63.8	-43.8	174.4	175.4	0	0	0	0	109.9	E112 A115 L210 L211 N214 E215 E219 R220 W221	E112-V217 HydrophobicContact CB-CG1 4.35Å; E112-V217 HydrophobicContact CG-CG1 3.71Å; A115-V217 HydrophobicContact CB-CG2 4.15Å; L210-V217 HydrophobicContact CD2-CG1 3.89Å; L210-V217 HydrophobicContact CG-CG1 4.09Å; L211-V217 HydrophobicContact CD2-CG1 4.14Å; N214-V217 HydrophobicContact CB-CB 4.21Å; N214-V217 HydrophobicContact CB-CG2 4.25Å; N214-V217 PolarHBondContact OD1-N 2.96Å; E215-V217 PolarHBondContact O-N 3.35Å; V217-E219 PolarHBondContact O-N 3.22Å; V217-R220 WeakPolarHBondContact O-CB 3.42Å; V217-R220 PolarHBondContact O-N 3Å; V217-W221 VanDerWaalsContact O-CD1 3.28Å; V217-W221 PolarHBondContact O-N 2.95Å; V217-W221 VanDerWaalsContact O-N 3.1Å
218	R	98	Very high	97	Very high	55 Å²	55	54.3 Å²	54.3	21%	0.208	24%	0.238	C	C	.	.	H	α-helix	trans	-57.4	-49.2	177.4	-177.6	176.7	59.7	-143.9	6.4	112.6	L211 N214 E215 E216 R220 W221 Q222	L211-R218 HydrophobicContact CD2-CB 4.11Å; L211-R218 WeakPolarHBondContact O-CD 3.49Å; L211-R218 PolarHBondContact O-NH1 3.04Å; N214-R218 WeakPolarHBondContact O-CB 3.33Å; N214-R218 PolarHBondContact O-N 2.94Å; E215-R218 WeakPolarHBondContact O-CB 3.43Å; E215-R218 PolarHBondContact O-N 3.33Å; E215-R218 VanDerWaalsContact O-N 3.17Å; E215-R218 IonicContact OE1-NH2 3.14Å; E215-R218 PolarHBondContact OE1-NH2 2.81Å; E216-R218 VanDerWaalsContact C-N 3.34Å; R218-R220 VanDerWaalsContact C-N 3.31Å; R218-R220 PolarHBondContact O-N 3.02Å; R218-W221 PolarHBondContact O-N 3.1Å; R218-Q222 HydrophobicContact CG-CG 4.32Å; R218-Q222 WeakPolarHBondContact O-CB 3.4Å; R218-Q222 VanDerWaalsContact O-CG 3.31Å; R218-Q222 WeakPolarHBondContact O-CG 3.46Å; R218-Q222 PolarHBondContact O-N 2.85Å
219	E	97.4	Very high	97	Very high	108 Å²	108	54.4 Å²	54.4	51%	0.505	24%	0.239	S	C	.	.	H	α-helix	trans	-62.1	-38.5	178.2	-76.6	-163.8	158.4	0	0	112.5	E215 V217 W221 Q222 N223	E215-E219 HydrophobicContact CG-CG 4.49Å; E215-E219 PolarHBondContact O-N 3.42Å; V217-E219 PolarHBondContact O-N 3.22Å; E219-W221 VanDerWaalsContact C-N 3.34Å; E219-W221 PolarHBondContact O-N 3.26Å; E219-Q222 PolarHBondContact O-N 2.74Å; E219-N223 VanDerWaalsContact O-CB 3.29Å; E219-N223 WeakPolarHBondContact O-CB 3.46Å; E219-N223 PolarHBondContact O-N 2.97Å; E219-N223 PolarHBondContact O-ND2 2.84Å; E219-N223 VanDerWaalsContact O-ND2 3.15Å
220	R	97.1	Very high	97.1	Very high	112 Å²	112	53.3 Å²	53.3	42%	0.423	23%	0.233	S	C	.	.	H	α-helix	trans	-59	-46.3	176.7	-162.3	-172.3	-35.7	-123.1	-12.8	111.2	E112 E216 V217 R218 N223 K224	E112-R220 WeakPolarHBondContact OE1-CD 3.46Å; E112-R220 IonicContact OE1-NE 3Å; E216-R220 WeakPolarHBondContact O-CB 3.38Å; E216-R220 PolarHBondContact O-N 3.42Å; E216-R220 VanDerWaalsContact O-N 3.14Å; E216-R220 IonicContact OE1-CZ 3.63Å; E216-R220 IonicContact OE1-NH2 3.78Å; E216-R220 PolarHBondContact OE1-NH2 2.92Å; V217-R220 WeakPolarHBondContact O-CB 3.42Å; V217-R220 PolarHBondContact O-N 3Å; R218-R220 VanDerWaalsContact C-N 3.31Å; R218-R220 PolarHBondContact O-N 3.02Å; R220-N223 PolarHBondContact O-N 3.39Å; R220-K224 WeakPolarHBondContact O-CB 3.46Å; R220-K224 PolarHBondContact O-N 2.65Å
221	W	97.7	Very high	96.9	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.008	23%	0.232	C	C	.	.	H	α-helix	trans	-72	-38.8	178.4	-78.2	96.7	0	0	0	113	L104 D107 I108 R111 E112 L211 V217 R218 E219 N223 K224 I225 L247	L104-W221 HydrophobicContact CD1-CZ3 4.35Å; D107-W221 HydrophobicContact CB-CH2 4.47Å; D107-W221 WeakPolarHBondContact OD2-CH2 3.24Å; I108-W221 VanDerWaalsContact CA-CZ2 3.48Å; I108-W221 HydrophobicContact CB-CH2 4.31Å; I108-W221 HydrophobicContact CB-CZ2 4.01Å; I108-W221 HydrophobicContact CG1-CD2 3.91Å; I108-W221 HydrophobicContact CG1-CE3 3.91Å; I108-W221 HydrophobicContact CG1-CH2 3.59Å; I108-W221 HydrophobicContact CG1-CZ2 3.64Å; I108-W221 HydrophobicContact CG1-CZ3 3.74Å; I108-W221 HydrophobicContact CG2-CZ2 4.33Å; R111-W221 HydrophobicContact CB-CZ2 3.99Å; R111-W221 HydrophobicContact CG-CZ2 4.4Å; E112-W221 PolarHBondContact OE1-NE1 3.03Å; E112-W221 VanDerWaalsContact OE1-NE1 3.14Å; L211-W221 HydrophobicContact CD2-CB 4.16Å; L211-W221 HydrophobicContact CD2-CG 4.32Å; V217-W221 VanDerWaalsContact O-CD1 3.28Å; V217-W221 PolarHBondContact O-N 2.95Å; V217-W221 VanDerWaalsContact O-N 3.1Å; R218-W221 PolarHBondContact O-N 3.1Å; E219-W221 VanDerWaalsContact C-N 3.34Å; E219-W221 PolarHBondContact O-N 3.26Å; W221-N223 VanDerWaalsContact C-N 3.29Å; W221-N223 PolarHBondContact O-N 3.44Å; W221-K224 HydrophobicContact CE3-CD 4.11Å; W221-K224 HydrophobicContact CH2-CD 4.48Å; W221-K224 HydrophobicContact CZ3-CD 3.98Å; W221-K224 PolarHBondContact O-N 3.2Å; W221-I225 HydrophobicContact CE3-CD1 4.24Å; W221-I225 PolarHBondContact O-N 3.09Å; W221-L247 HydrophobicContact CB-CD2 3.98Å
222	Q	97.7	Very high	96.5	Very high	42 Å²	42	54.4 Å²	54.4	20%	0.196	24%	0.238	C	C	.	.	H	α-helix	trans	-64.7	-31	173.1	-72.4	178.7	-5.9	0	0	112.9	R218 E219 I225 L246 L247	R218-Q222 HydrophobicContact CG-CG 4.32Å; R218-Q222 WeakPolarHBondContact O-CB 3.4Å; R218-Q222 VanDerWaalsContact O-CG 3.31Å; R218-Q222 WeakPolarHBondContact O-CG 3.46Å; R218-Q222 PolarHBondContact O-N 2.85Å; E219-Q222 PolarHBondContact O-N 2.74Å; Q222-I225 CarbonylContact O-C 3.5Å; Q222-I225 VanDerWaalsContact O-O 3.06Å; Q222-L246 PolarHBondContact NE2-O 3.08Å; Q222-L247 WeakPolarHBondContact CG-O 3.49Å
223	N	96.5	Very high	96.4	Very high	66 Å²	66	51 Å²	51	35%	0.353	22%	0.222	S	C	.	.	H	α-helix	trans	-79.6	-28	174.9	-78.8	-39.9	0	0	0	112.9	E219 R220 W221 R226 R251	E219-N223 VanDerWaalsContact O-CB 3.29Å; E219-N223 WeakPolarHBondContact O-CB 3.46Å; E219-N223 PolarHBondContact O-N 2.97Å; E219-N223 PolarHBondContact O-ND2 2.84Å; E219-N223 VanDerWaalsContact O-ND2 3.15Å; R220-N223 PolarHBondContact O-N 3.39Å; W221-N223 VanDerWaalsContact C-N 3.29Å; W221-N223 PolarHBondContact O-N 3.44Å; N223-R226 WeakPolarHBondContact O-CG 3.38Å; N223-R226 PolarHBondContact O-NE 3.46Å; N223-R226 VanDerWaalsContact O-NE 3.17Å; N223-R251 PolarHBondContact OD1-NH1 2.94Å; N223-R251 PolarHBondContact OD1-NH2 3.26Å; N223-R251 VanDerWaalsContact OD1-NH2 3.12Å
224	K	96.5	Very high	96.1	Very high	42 Å²	42	42.2 Å²	42.2	18%	0.183	19%	0.189	C	C	.	.	H	α-helix	trans	-73.1	-51.6	172.1	-176.7	171.6	174.8	-173.3	0	110.9	H66 M97 D107 R220 W221 R226	H66-K224 WeakPolarHBondContact CA-O 3.25Å; H66-K224 PolarHBondContact CD2-O 3.48Å; M97-K224 HydrophobicContact CE-CD 4.11Å; M97-K224 HydrophobicContact CE-CG 3.78Å; D107-K224 IonicContact OD2-NZ 2.71Å; D107-K224 PolarHBondContact OD2-NZ 2.9Å; R220-K224 WeakPolarHBondContact O-CB 3.46Å; R220-K224 PolarHBondContact O-N 2.65Å; W221-K224 HydrophobicContact CE3-CD 4.11Å; W221-K224 HydrophobicContact CH2-CD 4.48Å; W221-K224 HydrophobicContact CZ3-CD 3.98Å; W221-K224 PolarHBondContact O-N 3.2Å; K224-R226 PolarHBondContact O-N 3.39Å
225	I	97.5	Very high	95.8	Very high	7 Å²	7	40.1 Å²	40.1	4%	0.036	18%	0.178	C	C	.	.			trans	-95.2	90.7	178.3	-56.2	179.1	0	0	0	108.7	A68 M97 L104 W221 Q222 L228 L247	A68-I225 HydrophobicContact CB-CD1 4.05Å; A68-I225 HydrophobicContact CB-CG1 4.17Å; A68-I225 HydrophobicContact CB-CG2 3.76Å; M97-I225 HydrophobicContact SD-CG1 4.4Å; L104-I225 HydrophobicContact CD1-CD1 4.19Å; W221-I225 HydrophobicContact CE3-CD1 4.24Å; W221-I225 PolarHBondContact O-N 3.09Å; Q222-I225 CarbonylContact O-C 3.5Å; Q222-I225 VanDerWaalsContact O-O 3.06Å; I225-L228 HydrophobicContact CG2-CB 4.06Å; I225-L228 HydrophobicContact CG2-CD1 4.36Å; I225-L247 HydrophobicContact CD1-CD1 4.3Å; I225-L247 HydrophobicContact CD1-CD2 4.24Å
226	R	96.9	Very high	95.6	Very high	111 Å²	111	34.5 Å²	34.5	42%	0.419	15%	0.151	S	C	.	.	S	Bend	trans	-87	-20.4	-179.9	-59.3	-176	-178.2	-153.9	-0.4	113.1	Y62 H66 N223 K224 R253	Y62-R226 HydrophobicContact CD1-CB 4.44Å; Y62-R226 HydrophobicContact CE1-CB 3.96Å; H66-R226 HydrophobicContact CB-CB 4Å; H66-R226 HydrophobicContact CB-CG 3.88Å; H66-R226 PolarHBondContact O-N 2.92Å; N223-R226 WeakPolarHBondContact O-CG 3.38Å; N223-R226 PolarHBondContact O-NE 3.46Å; N223-R226 VanDerWaalsContact O-NE 3.17Å; K224-R226 PolarHBondContact O-N 3.39Å; R226-R253 VanDerWaalsContact O-CB 3.24Å; R226-R253 WeakPolarHBondContact O-CB 3.44Å
227	Y	98.3	Very high	95.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	127.1	170.6	-155.7	-81.6	0	0	0	109.8	V31 K52 L56 Y62 H66 I67 A68 L229 R253 T255	V31-Y227 HydrophobicContact CB-CE2 4.29Å; V31-Y227 WeakPolarHBondContact O-CE2 3.38Å; K52-Y227 VanDerWaalsContact CE-OH 3.29Å; K52-Y227 WeakPolarHBondContact CE-OH 3.27Å; K52-Y227 PolarHBondContact NZ-OH 3.48Å; L56-Y227 HydrophobicContact CD1-CD1 3.49Å; L56-Y227 VanDerWaalsContact CD1-CD1 3.49Å; L56-Y227 HydrophobicContact CD1-CD2 4.36Å; L56-Y227 HydrophobicContact CD1-CE1 3.72Å; L56-Y227 HydrophobicContact CD1-CG 3.83Å; L56-Y227 HydrophobicContact CD2-CD1 4.4Å; L56-Y227 HydrophobicContact CD2-CD2 3.79Å; L56-Y227 HydrophobicContact CD2-CE1 4.48Å; L56-Y227 HydrophobicContact CD2-CE2 3.9Å; L56-Y227 HydrophobicContact CD2-CG 4.06Å; Y62-Y227 HydrophobicContact CE1-CD2 4.45Å; H66-Y227 PolarHBondContact O-N 3.37Å; I67-Y227 WeakPolarHBondContact CA-O 3.49Å; A68-Y227 PolarHBondContact N-O 3.22Å; Y227-L229 HydrophobicContact CD1-CD1 3.67Å; Y227-L229 HydrophobicContact CD1-CG 4.09Å; Y227-L229 HydrophobicContact CE1-CD1 4.06Å; Y227-L229 HydrophobicContact CE1-CG 4Å; Y227-R253 WeakPolarHBondContact CA-O 3.32Å; Y227-R253 HydrophobicContact CD2-CB 3.9Å; Y227-R253 HydrophobicContact CE2-CB 4.3Å; Y227-T255 PolarHBondContact OH-OG1 2.86Å
228	L	98.2	Very high	95	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	130.3	179.4	-179.5	63.1	0	0	0	110.8	A68 V70 I225 V230 V244 V248 R253 F254 T255	A68-L228 HydrophobicContact CB-CD1 3.89Å; A68-L228 CarbonylContact O-C 3.57Å; A68-L228 WeakPolarHBondContact O-CA 3.29Å; V70-L228 HydrophobicContact CG2-CD1 3.78Å; I225-L228 HydrophobicContact CG2-CB 4.06Å; I225-L228 HydrophobicContact CG2-CD1 4.36Å; L228-V230 HydrophobicContact CD1-CG2 4.38Å; L228-V230 HydrophobicContact CD2-CG2 4.13Å; L228-V230 HydrophobicContact CG-CG2 3.97Å; L228-V244 HydrophobicContact CD2-CB 4.42Å; L228-V244 HydrophobicContact CD2-CG1 3.96Å; L228-V244 HydrophobicContact CD2-CG2 4.22Å; L228-V248 HydrophobicContact CB-CG1 4.02Å; L228-V248 HydrophobicContact CD2-CG1 3.69Å; L228-V248 HydrophobicContact CG-CG1 4.48Å; L228-R253 PolarHBondContact N-O 3.09Å; L228-R253 VanDerWaalsContact N-O 3.09Å; L228-F254 HydrophobicContact CB-CB 4.12Å; L228-F254 CarbonylContact O-C 3.5Å; L228-F254 WeakPolarHBondContact O-CA 3.43Å; L228-F254 VanDerWaalsContact O-CB 3.27Å; L228-F254 WeakPolarHBondContact O-CB 3.46Å; L228-T255 PolarHBondContact O-N 2.81Å
229	L	97.9	Very high	94.8	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	138.9	167.6	-59.3	95.3	0	0	0	108.7	I49 K52 I53 L56 I67 A68 A69 V70 Y227 T255	I49-L229 HydrophobicContact CG2-CB 4.47Å; I49-L229 HydrophobicContact CG2-CD2 4Å; K52-L229 HydrophobicContact CB-CD2 4.22Å; K52-L229 HydrophobicContact CD-CD2 4.13Å; K52-L229 HydrophobicContact CG-CD2 4.21Å; I53-L229 HydrophobicContact CG1-CD1 3.99Å; I53-L229 HydrophobicContact CG1-CD2 4.15Å; L56-L229 HydrophobicContact CD1-CD1 4.24Å; I67-L229 HydrophobicContact CG2-CD1 3.63Å; A68-L229 PolarHBondContact O-N 2.86Å; A69-L229 CarbonylContact C-O 3.44Å; A69-L229 WeakPolarHBondContact CA-O 3.49Å; A69-L229 HydrophobicContact CB-CB 4.22Å; V70-L229 PolarHBondContact N-O 3.41Å; Y227-L229 HydrophobicContact CD1-CD1 3.67Å; Y227-L229 HydrophobicContact CD1-CG 4.09Å; Y227-L229 HydrophobicContact CE1-CD1 4.06Å; Y227-L229 HydrophobicContact CE1-CG 4Å; L229-T255 CarbonylContact C-O 3.53Å; L229-T255 VanDerWaalsContact CA-O 3.24Å; L229-T255 WeakPolarHBondContact CA-O 3.24Å
230	V	95.8	Very high	94.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	125.6	175.2	-169	0	0	0	0	109	V70 F101 L228 Y233 V244 T255 V256 V257	V70-V230 HydrophobicContact CB-CG1 4.49Å; V70-V230 WeakPolarHBondContact O-CA 3.17Å; F101-V230 HydrophobicContact CE2-CG1 3.75Å; F101-V230 HydrophobicContact CZ-CG1 3.65Å; L228-V230 HydrophobicContact CD1-CG2 4.38Å; L228-V230 HydrophobicContact CD2-CG2 4.13Å; L228-V230 HydrophobicContact CG-CG2 3.97Å; V230-Y233 HydrophobicContact CB-CD2 4.01Å; V230-Y233 HydrophobicContact CG1-CD2 3.8Å; V230-Y233 HydrophobicContact CG1-CE2 4.45Å; V230-V244 HydrophobicContact CG2-CG2 4.1Å; V230-T255 PolarHBondContact N-O 2.84Å; V230-V256 HydrophobicContact CB-CG1 4.08Å; V230-V256 HydrophobicContact CG2-CG1 4.19Å; V230-V256 CarbonylContact O-C 3.03Å; V230-V256 WeakPolarHBondContact O-CA 3.35Å; V230-V257 PolarHBondContact O-N 2.89Å
231	D	92.8	Very high	94.6	Very high	8 Å²	8	17.9 Å²	17.9	4%	0.043	8%	0.083	C	C	.	.	S	Bend	trans	-95.6	156.4	174.6	-158.6	7	0	0	0	111.2	I49 V70 T71 M80 Y233 V257	I49-D231 HydrophobicContact CD1-CB 3.65Å; I49-D231 VanDerWaalsContact CD1-CG 3.47Å; V70-D231 PolarHBondContact O-N 2.83Å; T71-D231 HydrophobicContact CG2-CB 4.23Å; M80-D231 HydrophobicContact CE-CB 4.36Å; D231-Y233 VanDerWaalsContact C-N 3.28Å; D231-Y233 PolarHBondContact O-N 2.82Å; D231-V257 CarbonylContact C-O 3.48Å
232	E	89.6	Confident	94.5	Very high	28 Å²	28	19.8 Å²	19.8	13%	0.131	9%	0.092	C	C	.	.	S	Bend	trans	49.9	44.3	-177.8	-56.7	-64	163.2	0	0	113.4	K45 F72 Q234 D235 V257 K578	K45-E232 VanDerWaalsContact NZ-CD 3.34Å; K45-E232 IonicContact NZ-OE1 3.72Å; K45-E232 PolarHBondContact NZ-OE1 3.29Å; K45-E232 IonicContact NZ-OE2 2.71Å; K45-E232 PolarHBondContact NZ-OE2 2.82Å; K45-E232 VanDerWaalsContact NZ-OE2 3.1Å; F72-E232 HydrophobicContact CD2-CB 4.09Å; F72-E232 WeakPolarHBondContact CE2-O 3.38Å; E232-Q234 PolarHBondContact O-N 2.88Å; E232-Q234 PolarHBondContact OE2-NE2 3.25Å; E232-D235 PolarHBondContact O-N 3.26Å; E232-V257 PolarHBondContact N-O 3.24Å; E232-V257 VanDerWaalsContact N-O 3.1Å; E232-K578 WeakPolarHBondContact OE2-CE 3.47Å; E232-K578 IonicContact OE2-NZ 3.87Å
233	Y	92.9	Very high	94.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-60.3	-23.1	-172.1	-164	-107.3	0	0	0	114.8	V230 D231 D235 T236 Y241 V256 V257 L275 L278	V230-Y233 HydrophobicContact CB-CD2 4.01Å; V230-Y233 HydrophobicContact CG1-CD2 3.8Å; V230-Y233 HydrophobicContact CG1-CE2 4.45Å; D231-Y233 VanDerWaalsContact C-N 3.28Å; D231-Y233 PolarHBondContact O-N 2.82Å; Y233-D235 PolarHBondContact O-N 3.37Å; Y233-T236 HydrophobicContact CD2-CG2 3.78Å; Y233-T236 HydrophobicContact CE2-CG2 4.04Å; Y233-T236 HydrophobicContact CG-CG2 4.3Å; Y233-T236 WeakPolarHBondContact O-CB 3.19Å; Y233-T236 VanDerWaalsContact O-CG2 3.3Å; Y233-T236 WeakPolarHBondContact O-CG2 3.29Å; Y233-T236 PolarHBondContact O-N 3.31Å; Y233-T236 PolarHBondContact O-OG1 3.04Å; Y233-Y241 WeakPolarHBondContact OH-CD2 3.46Å; Y233-Y241 VanDerWaalsContact OH-CE2 3.27Å; Y233-Y241 WeakPolarHBondContact OH-CE2 3.41Å; Y233-V256 HydrophobicContact CD1-CB 4.05Å; Y233-V256 HydrophobicContact CD1-CG1 4.37Å; Y233-V256 HydrophobicContact CD1-CG2 4.06Å; Y233-V256 HydrophobicContact CD2-CB 3.66Å; Y233-V256 HydrophobicContact CD2-CG1 3.46Å; Y233-V256 VanDerWaalsContact CD2-CG1 3.46Å; Y233-V256 HydrophobicContact CD2-CG2 4.49Å; Y233-V256 HydrophobicContact CE1-CB 4.41Å; Y233-V256 HydrophobicContact CE1-CG1 4.32Å; Y233-V256 HydrophobicContact CE1-CG2 4.26Å; Y233-V256 HydrophobicContact CE2-CB 4.08Å; Y233-V256 HydrophobicContact CE2-CG1 3.41Å; Y233-V256 VanDerWaalsContact CE2-CG1 3.41Å; Y233-V256 HydrophobicContact CG-CB 3.63Å; Y233-V256 HydrophobicContact CG-CG1 3.95Å; Y233-V256 HydrophobicContact CG-CG2 4.15Å; Y233-V257 WeakPolarHBondContact CB-O 3.31Å; Y233-V257 PolarHBondContact N-O 3.08Å; Y233-L275 HydrophobicContact CD1-CD2 3.75Å; Y233-L275 HydrophobicContact CD1-CG 4.38Å; Y233-L278 HydrophobicContact CE1-CD1 4Å; Y233-L278 WeakPolarHBondContact OH-CD1 3.44Å
234	Q	89.8	Confident	94.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-64.3	-23.2	176.7	73.8	-83.6	8.6	0	0	113.3	E232 T236 D259 Q262 S263 L275	E232-Q234 PolarHBondContact O-N 2.88Å; E232-Q234 PolarHBondContact OE2-NE2 3.25Å; Q234-T236 PolarHBondContact O-N 3.09Å; Q234-D259 WeakPolarHBondContact CB-O 3.47Å; Q234-D259 VanDerWaalsContact CD-O 3.24Å; Q234-D259 WeakPolarHBondContact CG-O 3.5Å; Q234-Q262 PolarHBondContact NE2-O 2.77Å; Q234-S263 PolarHBondContact O-OG 3.47Å; Q234-L275 HydrophobicContact CB-CD1 4.05Å
235	D	89.6	Confident	94.5	Very high	7 Å²	7	15.3 Å²	15.3	4%	0.037	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-84.9	0.9	179.6	-66.7	-20.5	0	0	0	112.3	F72 E232 Y233 Y265 A270 K578	F72-D235 HydrophobicContact CD1-CB 4.18Å; F72-D235 HydrophobicContact CD2-CB 4.16Å; F72-D235 HydrophobicContact CE1-CB 3.71Å; F72-D235 HydrophobicContact CE2-CB 3.69Å; F72-D235 HydrophobicContact CG-CB 4.4Å; F72-D235 HydrophobicContact CZ-CB 3.46Å; F72-D235 VanDerWaalsContact CZ-CB 3.46Å; F72-D235 WeakPolarHBondContact CZ-O 3.39Å; E232-D235 PolarHBondContact O-N 3.26Å; Y233-D235 PolarHBondContact O-N 3.37Å; D235-Y265 HydrophobicContact CB-CD2 4.44Å; D235-Y265 WeakPolarHBondContact OD2-CD2 3.49Å; D235-A270 VanDerWaalsContact O-CB 3.25Å; D235-A270 WeakPolarHBondContact O-CB 3.28Å; D235-K578 IonicContact OD1-NZ 2.96Å; D235-K578 PolarHBondContact OD1-NZ 3.3Å; D235-K578 IonicContact OD2-NZ 3.42Å; D235-K578 PolarHBondContact OD2-NZ 2.93Å
236	T	92.1	Very high	94.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.072	C	C	.	.			trans	-67.4	139.4	-177.7	56.3	0	0	0	0	111.9	F72 F101 Y233 Q234 Q240 A270 R271 N274	F72-T236 HydrophobicContact CE2-CG2 4.1Å; F72-T236 HydrophobicContact CZ-CG2 4.35Å; F101-T236 HydrophobicContact CE2-CG2 4.2Å; F101-T236 HydrophobicContact CZ-CG2 4.13Å; Y233-T236 HydrophobicContact CD2-CG2 3.78Å; Y233-T236 HydrophobicContact CE2-CG2 4.04Å; Y233-T236 HydrophobicContact CG-CG2 4.3Å; Y233-T236 WeakPolarHBondContact O-CB 3.19Å; Y233-T236 VanDerWaalsContact O-CG2 3.3Å; Y233-T236 WeakPolarHBondContact O-CG2 3.29Å; Y233-T236 PolarHBondContact O-N 3.31Å; Y233-T236 PolarHBondContact O-OG1 3.04Å; Q234-T236 PolarHBondContact O-N 3.09Å; T236-Q240 VanDerWaalsContact CA-OE1 3.31Å; T236-Q240 HydrophobicContact CG2-CB 4.46Å; T236-A270 WeakPolarHBondContact O-CA 3.41Å; T236-R271 PolarHBondContact O-N 3.46Å; T236-N274 PolarHBondContact O-ND2 3.45Å; T236-N274 PolarHBondContact OG1-ND2 2.97Å
237	N	91	Very high	94.5	Very high	9 Å²	9	10.9 Å²	10.9	5%	0.048	5%	0.054	C	C	.	.			trans	-95.4	-179.7	169.5	66.3	28.2	0	0	0	111.3	N161 S239 Q240 Y241 G269 N274	N161-N237 HydrophobicContact CB-CB 4.42Å; N161-N237 VanDerWaalsContact CG-ND2 3.27Å; N161-N237 PolarHBondContact OD1-ND2 3.08Å; N237-S239 PolarHBondContact O-N 2.63Å; N237-S239 PolarHBondContact OD1-N 2.77Å; N237-S239 PolarHBondContact OD1-OG 2.74Å; N237-Q240 VanDerWaalsContact N-OE1 3.11Å; N237-Q240 PolarHBondContact O-N 3.11Å; N237-Q240 WeakPolarHBondContact OD1-CB 3.38Å; N237-Q240 VanDerWaalsContact OD1-CG 3.22Å; N237-Q240 WeakPolarHBondContact OD1-CG 3.21Å; N237-Q240 PolarHBondContact OD1-N 2.93Å; N237-Y241 WeakPolarHBondContact O-CB 3.49Å; N237-Y241 PolarHBondContact O-N 2.71Å; N237-G269 WeakPolarHBondContact CA-O 3.26Å; N237-G269 WeakPolarHBondContact CB-O 3.4Å; N237-N274 PolarHBondContact O-ND2 3.47Å
238	T	92	Very high	94.5	Very high	35 Å²	35	11.4 Å²	11.4	22%	0.215	6%	0.057	C	C	.	.	H	α-helix	trans	-60.7	-46	-176.4	-42.8	0	0	0	0	112.1	N161 D162 Y241 E242 R271	N161-T238 VanDerWaalsContact O-CB 3.3Å; N161-T238 WeakPolarHBondContact O-CB 3.3Å; D162-T238 PolarHBondContact OD1-OG1 2.88Å; T238-Y241 PolarHBondContact O-N 3.26Å; T238-E242 WeakPolarHBondContact O-CB 3.38Å; T238-E242 PolarHBondContact O-N 2.95Å; T238-R271 VanDerWaalsContact OG1-CZ 3.3Å; T238-R271 PolarHBondContact OG1-NE 3.45Å; T238-R271 VanDerWaalsContact OG1-NE 3.11Å
239	S	93.3	Very high	94.3	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-65.4	-41.9	-178.6	64.9	0	0	0	0	112	N161 L163 I204 T208 N237 E242 L243	N161-S239 WeakPolarHBondContact O-CB 3.16Å; N161-S239 PolarHBondContact O-N 3.26Å; L163-S239 VanDerWaalsContact CD2-CB 3.47Å; I204-S239 WeakPolarHBondContact CG2-OG 3.45Å; T208-S239 PolarHBondContact OG1-O 2.93Å; N237-S239 PolarHBondContact O-N 2.63Å; N237-S239 PolarHBondContact OD1-N 2.77Å; N237-S239 PolarHBondContact OD1-OG 2.74Å; S239-E242 PolarHBondContact O-N 3Å; S239-L243 WeakPolarHBondContact O-CB 3.04Å; S239-L243 PolarHBondContact O-N 2.82Å
240	Q	94.9	Very high	94	Very high	6 Å²	6	18 Å²	18	3%	0.028	11%	0.106	C	C	.	.	H	α-helix	trans	-64.9	-42.2	175.2	-70.1	170	-17.1	0	0	112.1	F101 I204 T236 N237 L243 V244	F101-Q240 HydrophobicContact CD1-CB 4.17Å; F101-Q240 HydrophobicContact CD1-CG 3.97Å; F101-Q240 HydrophobicContact CD2-CG 4.5Å; F101-Q240 HydrophobicContact CE1-CB 3.92Å; F101-Q240 HydrophobicContact CE1-CG 4.23Å; F101-Q240 HydrophobicContact CG-CG 4.11Å; F101-Q240 HydrophobicContact CZ-CB 4.19Å; I204-Q240 HydrophobicContact CG1-CG 4.48Å; I204-Q240 HydrophobicContact CG2-CG 3.93Å; T236-Q240 VanDerWaalsContact CA-OE1 3.31Å; T236-Q240 HydrophobicContact CG2-CB 4.46Å; N237-Q240 VanDerWaalsContact N-OE1 3.11Å; N237-Q240 PolarHBondContact O-N 3.11Å; N237-Q240 WeakPolarHBondContact OD1-CB 3.38Å; N237-Q240 VanDerWaalsContact OD1-CG 3.22Å; N237-Q240 WeakPolarHBondContact OD1-CG 3.21Å; N237-Q240 PolarHBondContact OD1-N 2.93Å; Q240-L243 PolarHBondContact O-N 3.3Å; Q240-V244 WeakPolarHBondContact O-CG2 3.48Å; Q240-V244 PolarHBondContact O-N 3.01Å
241	Y	95.5	Very high	93.9	Very high	9 Å²	9	23.7 Å²	23.7	4%	0.035	13%	0.127	C	C	.	.	H	α-helix	trans	-59.4	-48.5	175.6	177	-105.7	0	0	0	111.6	Y233 N237 T238 L243 V244 K245 N274 L277 L278 D281	Y233-Y241 WeakPolarHBondContact OH-CD2 3.46Å; Y233-Y241 VanDerWaalsContact OH-CE2 3.27Å; Y233-Y241 WeakPolarHBondContact OH-CE2 3.41Å; N237-Y241 WeakPolarHBondContact O-CB 3.49Å; N237-Y241 PolarHBondContact O-N 2.71Å; T238-Y241 PolarHBondContact O-N 3.26Å; Y241-L243 PolarHBondContact O-N 3.35Å; Y241-V244 WeakPolarHBondContact O-CB 3.31Å; Y241-V244 PolarHBondContact O-N 2.88Å; Y241-K245 HydrophobicContact CD1-CD 3.85Å; Y241-K245 HydrophobicContact CE1-CD 3.27Å; Y241-K245 HydrophobicContact CE1-CG 4.28Å; Y241-K245 HydrophobicContact CE2-CD 4.41Å; Y241-K245 PolarHBondContact O-N 2.91Å; Y241-N274 HydrophobicContact CD2-CB 4.06Å; Y241-L277 HydrophobicContact CE1-CB 4.46Å; Y241-L277 PolarHBondContact OH-O 3.19Å; Y241-L278 HydrophobicContact CE2-CD1 4.22Å; Y241-D281 WeakPolarHBondContact CE1-OD2 3.46Å; Y241-D281 WeakPolarHBondContact OH-CB 3.34Å; Y241-D281 VanDerWaalsContact OH-CG 3.31Å; Y241-D281 PolarHBondContact OH-OD2 3.17Å
242	E	96.2	Very high	94.1	Very high	42 Å²	42	23.9 Å²	23.9	20%	0.196	13%	0.13	C	C	.	.	H	α-helix	trans	-68.1	-36.6	-179.4	-169.1	59.5	-165.3	0	0	111.9	L163 T208 Q212 T238 S239 V244 K245 L246	L163-E242 HydrophobicContact CD1-CB 3.86Å; L163-E242 HydrophobicContact CD1-CG 3.86Å; T208-E242 HydrophobicContact CG2-CB 3.97Å; T208-E242 HydrophobicContact CG2-CG 3.84Å; Q212-E242 VanDerWaalsContact NE2-CG 3.31Å; Q212-E242 PolarHBondContact NE2-OE1 3.27Å; T238-E242 WeakPolarHBondContact O-CB 3.38Å; T238-E242 PolarHBondContact O-N 2.95Å; S239-E242 PolarHBondContact O-N 3Å; E242-V244 VanDerWaalsContact C-N 3.33Å; E242-V244 PolarHBondContact O-N 3.01Å; E242-K245 WeakPolarHBondContact O-CB 3.49Å; E242-K245 PolarHBondContact O-N 2.92Å; E242-K245 WeakPolarHBondContact OE2-CE 3.46Å; E242-K245 IonicContact OE2-NZ 2.98Å; E242-K245 PolarHBondContact OE2-NZ 3.28Å; E242-L246 HydrophobicContact CG-CD1 4.24Å; E242-L246 WeakPolarHBondContact O-CD1 3.41Å; E242-L246 VanDerWaalsContact O-CG 3.3Å; E242-L246 WeakPolarHBondContact O-CG 3.48Å; E242-L246 PolarHBondContact O-N 3.39Å
243	L	97.1	Very high	94.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-57.8	-46	171.5	-178.4	58.2	0	0	0	111.2	F101 I108 I204 P207 L211 S239 Q240 Y241 K245 L246 L247	F101-L243 HydrophobicContact CD1-CD2 4.46Å; I108-L243 HydrophobicContact CD1-CD1 4.43Å; I204-L243 HydrophobicContact CG2-CD2 4.16Å; P207-L243 HydrophobicContact CB-CD1 4.1Å; L211-L243 HydrophobicContact CD1-CD1 3.58Å; S239-L243 WeakPolarHBondContact O-CB 3.04Å; S239-L243 PolarHBondContact O-N 2.82Å; Q240-L243 PolarHBondContact O-N 3.3Å; Y241-L243 PolarHBondContact O-N 3.35Å; L243-K245 PolarHBondContact O-N 3.42Å; L243-L246 PolarHBondContact O-N 2.93Å; L243-L247 HydrophobicContact CD1-CD1 4.14Å; L243-L247 HydrophobicContact CD1-CG 4.22Å; L243-L247 HydrophobicContact CG-CD1 4.05Å; L243-L247 WeakPolarHBondContact O-CB 3.29Å; L243-L247 VanDerWaalsContact O-CG 3.29Å; L243-L247 WeakPolarHBondContact O-CG 3.45Å; L243-L247 PolarHBondContact O-N 2.89Å
244	V	96.8	Very high	94.7	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-58.7	-47.6	176.1	167.7	0	0	0	0	110.4	F101 L228 V230 Q240 Y241 E242 L246 L247 V248	F101-V244 HydrophobicContact CE1-CG2 3.9Å; F101-V244 HydrophobicContact CZ-CG2 4.06Å; L228-V244 HydrophobicContact CD2-CB 4.42Å; L228-V244 HydrophobicContact CD2-CG1 3.96Å; L228-V244 HydrophobicContact CD2-CG2 4.22Å; V230-V244 HydrophobicContact CG2-CG2 4.1Å; Q240-V244 WeakPolarHBondContact O-CG2 3.48Å; Q240-V244 PolarHBondContact O-N 3.01Å; Y241-V244 WeakPolarHBondContact O-CB 3.31Å; Y241-V244 PolarHBondContact O-N 2.88Å; E242-V244 VanDerWaalsContact C-N 3.33Å; E242-V244 PolarHBondContact O-N 3.01Å; V244-L246 VanDerWaalsContact C-N 3.34Å; V244-L246 PolarHBondContact O-N 3.49Å; V244-L247 PolarHBondContact O-N 3.11Å; V244-V248 HydrophobicContact CG1-CG1 4.31Å; V244-V248 WeakPolarHBondContact O-CG1 3.48Å; V244-V248 WeakPolarHBondContact O-CG2 3.34Å; V244-V248 PolarHBondContact O-N 3.37Å
245	K	96.6	Very high	95.1	Very high	55 Å²	55	26.9 Å²	26.9	24%	0.239	14%	0.14	C	C	.	.	H	α-helix	trans	-57.1	-45.5	178.4	-76.4	173.5	56.5	-179.6	0	112.5	Y241 E242 L243 L247 V248 G249 D281 F282	Y241-K245 HydrophobicContact CD1-CD 3.85Å; Y241-K245 HydrophobicContact CE1-CD 3.27Å; Y241-K245 HydrophobicContact CE1-CG 4.28Å; Y241-K245 HydrophobicContact CE2-CD 4.41Å; Y241-K245 PolarHBondContact O-N 2.91Å; E242-K245 WeakPolarHBondContact O-CB 3.49Å; E242-K245 PolarHBondContact O-N 2.92Å; E242-K245 WeakPolarHBondContact OE2-CE 3.46Å; E242-K245 IonicContact OE2-NZ 2.98Å; E242-K245 PolarHBondContact OE2-NZ 3.28Å; L243-K245 PolarHBondContact O-N 3.42Å; K245-L247 PolarHBondContact O-N 2.89Å; K245-V248 PolarHBondContact O-N 2.88Å; K245-G249 PolarHBondContact O-N 3.48Å; K245-D281 WeakPolarHBondContact CD-OD2 3.3Å; K245-D281 VanDerWaalsContact CE-OD2 3.3Å; K245-D281 WeakPolarHBondContact CE-OD2 3.39Å; K245-D281 IonicContact NZ-OD2 2.94Å; K245-D281 PolarHBondContact NZ-OD2 2.89Å; K245-F282 HydrophobicContact CG-CE2 4.05Å; K245-F282 HydrophobicContact CG-CZ 4.17Å
246	L	97.3	Very high	95.4	Very high	19 Å²	19	26.5 Å²	26.5	10%	0.099	14%	0.138	C	C	.	.	H	α-helix	trans	-66.1	-37.9	179.3	-68	160.8	0	0	0	112.1	T208 L211 Q212 Q222 E242 L243 V244	T208-L246 HydrophobicContact CG2-CD1 3.66Å; T208-L246 WeakPolarHBondContact O-CD1 3.39Å; L211-L246 HydrophobicContact CB-CB 4.07Å; L211-L246 HydrophobicContact CB-CD1 4.03Å; L211-L246 HydrophobicContact CB-CG 4.48Å; L211-L246 HydrophobicContact CD1-CB 4.4Å; Q212-L246 HydrophobicContact CG-CD1 3.5Å; Q212-L246 HydrophobicContact CG-CD2 3.9Å; Q212-L246 HydrophobicContact CG-CG 4.3Å; Q222-L246 PolarHBondContact NE2-O 3.08Å; E242-L246 HydrophobicContact CG-CD1 4.24Å; E242-L246 WeakPolarHBondContact O-CD1 3.41Å; E242-L246 VanDerWaalsContact O-CG 3.3Å; E242-L246 WeakPolarHBondContact O-CG 3.48Å; E242-L246 PolarHBondContact O-N 3.39Å; L243-L246 PolarHBondContact O-N 2.93Å; V244-L246 VanDerWaalsContact C-N 3.34Å; V244-L246 PolarHBondContact O-N 3.49Å
247	L	97.5	Very high	95.5	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.026	14%	0.139	C	C	.	.	H	α-helix	trans	-72.8	-35.5	179.1	-71.6	176.1	0	0	0	113.3	L104 I108 L211 W221 Q222 I225 L243 V244 K245	L104-L247 HydrophobicContact CD2-CD1 3.95Å; I108-L247 HydrophobicContact CD1-CD2 4.49Å; L211-L247 HydrophobicContact CD1-CD2 3.86Å; L211-L247 HydrophobicContact CD1-CG 4.28Å; W221-L247 HydrophobicContact CB-CD2 3.98Å; Q222-L247 WeakPolarHBondContact CG-O 3.49Å; I225-L247 HydrophobicContact CD1-CD1 4.3Å; I225-L247 HydrophobicContact CD1-CD2 4.24Å; L243-L247 HydrophobicContact CD1-CD1 4.14Å; L243-L247 HydrophobicContact CD1-CG 4.22Å; L243-L247 HydrophobicContact CG-CD1 4.05Å; L243-L247 WeakPolarHBondContact O-CB 3.29Å; L243-L247 VanDerWaalsContact O-CG 3.29Å; L243-L247 WeakPolarHBondContact O-CG 3.45Å; L243-L247 PolarHBondContact O-N 2.89Å; V244-L247 PolarHBondContact O-N 3.11Å; K245-L247 PolarHBondContact O-N 2.89Å
248	V	97.1	Very high	95.5	Very high	11 Å²	11	26.1 Å²	26.1	7%	0.067	14%	0.136	C	C	.	.	H	α-helix	trans	-83.7	-28.9	-179.4	-57.2	0	0	0	0	112.6	L228 V244 K245 A252 F254 F282	L228-V248 HydrophobicContact CB-CG1 4.02Å; L228-V248 HydrophobicContact CD2-CG1 3.69Å; L228-V248 HydrophobicContact CG-CG1 4.48Å; V244-V248 HydrophobicContact CG1-CG1 4.31Å; V244-V248 WeakPolarHBondContact O-CG1 3.48Å; V244-V248 WeakPolarHBondContact O-CG2 3.34Å; V244-V248 PolarHBondContact O-N 3.37Å; K245-V248 PolarHBondContact O-N 2.88Å; V248-A252 PolarHBondContact O-N 3.06Å; V248-F254 HydrophobicContact CB-CD1 3.85Å; V248-F254 HydrophobicContact CG1-CB 3.7Å; V248-F254 HydrophobicContact CG1-CD1 3.72Å; V248-F254 HydrophobicContact CG1-CG 3.99Å; V248-F254 HydrophobicContact CG2-CD1 3.84Å; V248-F254 HydrophobicContact CG2-CE1 4.08Å; V248-F282 HydrophobicContact CG2-CE1 4.04Å; V248-F282 HydrophobicContact CG2-CZ 3.67Å
249	G	94.9	Very high	95.4	Very high	16 Å²	16	24.5 Å²	24.5	17%	0.165	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	51.8	-153.1	179.9	0	0	0	0	0	113.5	K245 R251 A252	K245-G249 PolarHBondContact O-N 3.48Å; G249-R251 VanDerWaalsContact C-N 3.26Å; G249-R251 PolarHBondContact O-N 2.92Å; G249-A252 PolarHBondContact O-N 3.14Å
250	S	91.3	Very high	95.2	Very high	125 Å²	125	25.2 Å²	25.2	87%	0.874	13%	0.13	S	C	*	.	G	3₁₀ helix	trans	-69.5	-21	-179.6	57.5	0	0	0	0	113.9	A252	S250-A252 PolarHBondContact O-N 3.19Å
251	R	94.1	Very high	95	Very high	120 Å²	120	25.2 Å²	25.2	45%	0.453	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-64.9	-29.7	176.3	-69.8	-174.8	-178.8	157.3	5.7	111.5	N223 G249 R253	N223-R251 PolarHBondContact OD1-NH1 2.94Å; N223-R251 PolarHBondContact OD1-NH2 3.26Å; N223-R251 VanDerWaalsContact OD1-NH2 3.12Å; G249-R251 VanDerWaalsContact C-N 3.26Å; G249-R251 PolarHBondContact O-N 2.92Å; R251-R253 HydrophobicContact CB-CG 4.17Å; R251-R253 PolarHBondContact O-N 3.42Å; R251-R253 PolarHBondContact O-NH1 3.33Å
252	A	95.6	Very high	94.8	Very high	12 Å²	12	25 Å²	25	10%	0.099	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	47	40.7	179.3	0	0	0	0	0	112.7	G33 P34 V248 G249 S250 F254 F282	G33-A252 CarbonylContact C-O 3.59Å; G33-A252 WeakPolarHBondContact CA-O 3.41Å; P34-A252 WeakPolarHBondContact CA-O 3.37Å; P34-A252 HydrophobicContact CB-CB 4.2Å; P34-A252 WeakPolarHBondContact CD-O 3.44Å; P34-A252 HydrophobicContact CG-CB 4.14Å; V248-A252 PolarHBondContact O-N 3.06Å; G249-A252 PolarHBondContact O-N 3.14Å; S250-A252 PolarHBondContact O-N 3.19Å; A252-F254 HydrophobicContact CB-CE1 4.27Å; A252-F254 PolarHBondContact O-N 3.48Å; A252-F282 HydrophobicContact CB-CD1 3.8Å; A252-F282 HydrophobicContact CB-CE1 3.9Å
253	R	97.6	Very high	94.5	Very high	90 Å²	90	23 Å²	23	34%	0.34	12%	0.12	S	C	.	.			trans	-91.4	81.6	178.4	-67.8	-59.2	-178.8	-100.6	11.9	108.9	T32 R226 Y227 L228 R251	T32-R253 PolarHBondContact O-NE 2.98Å; T32-R253 PolarHBondContact O-NH1 3.21Å; T32-R253 PolarHBondContact O-NH2 3.34Å; T32-R253 VanDerWaalsContact O-NH2 3.11Å; R226-R253 VanDerWaalsContact O-CB 3.24Å; R226-R253 WeakPolarHBondContact O-CB 3.44Å; Y227-R253 WeakPolarHBondContact CA-O 3.32Å; Y227-R253 HydrophobicContact CD2-CB 3.9Å; Y227-R253 HydrophobicContact CE2-CB 4.3Å; L228-R253 PolarHBondContact N-O 3.09Å; L228-R253 VanDerWaalsContact N-O 3.09Å; R251-R253 HydrophobicContact CB-CG 4.17Å; R251-R253 PolarHBondContact O-N 3.42Å; R251-R253 PolarHBondContact O-NH1 3.33Å
254	F	97.8	Very high	94.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	160.9	-179.9	70.9	-97	0	0	0	113.4	P34 C35 L228 V248 A252 V256 L278 F282	P34-F254 HydrophobicContact CB-CD1 4.27Å; P34-F254 HydrophobicContact CB-CE1 3.5Å; P34-F254 HydrophobicContact CB-CE2 4.14Å; P34-F254 HydrophobicContact CB-CZ 3.43Å; P34-F254 VanDerWaalsContact CB-CZ 3.43Å; C35-F254 PolarHBondContact N-O 3.27Å; C35-F254 VanDerWaalsContact N-O 3.09Å; L228-F254 HydrophobicContact CB-CB 4.12Å; L228-F254 CarbonylContact O-C 3.5Å; L228-F254 WeakPolarHBondContact O-CA 3.43Å; L228-F254 VanDerWaalsContact O-CB 3.27Å; L228-F254 WeakPolarHBondContact O-CB 3.46Å; V248-F254 HydrophobicContact CB-CD1 3.85Å; V248-F254 HydrophobicContact CG1-CB 3.7Å; V248-F254 HydrophobicContact CG1-CD1 3.72Å; V248-F254 HydrophobicContact CG1-CG 3.99Å; V248-F254 HydrophobicContact CG2-CD1 3.84Å; V248-F254 HydrophobicContact CG2-CE1 4.08Å; A252-F254 HydrophobicContact CB-CE1 4.27Å; A252-F254 PolarHBondContact O-N 3.48Å; F254-V256 HydrophobicContact CD2-CG1 3.81Å; F254-V256 HydrophobicContact CE2-CG1 3.99Å; F254-V256 HydrophobicContact CE2-CG2 4.26Å; F254-L278 HydrophobicContact CE2-CD1 3.96Å; F254-L278 HydrophobicContact CE2-CD2 4.33Å; F254-L278 HydrophobicContact CZ-CD1 3.91Å; F254-L278 HydrophobicContact CZ-CG 4.44Å; F254-F282 AromaticContact CE1-CD1 3.87Å; F254-F282 HydrophobicContact CE1-CD1 3.87Å; F254-F282 HydrophobicContact CE1-CD2 4.02Å; F254-F282 AromaticContact CE1-CE1 3.77Å; F254-F282 HydrophobicContact CE1-CE1 3.77Å; F254-F282 AromaticContact CE1-CE2 3.91Å; F254-F282 HydrophobicContact CE1-CE2 3.91Å; F254-F282 AromaticContact CE1-CG 4Å; F254-F282 HydrophobicContact CE1-CG 4Å; F254-F282 AromaticContact CE1-CZ 3.78Å; F254-F282 HydrophobicContact CE1-CZ 3.78Å; F254-F282 HydrophobicContact CZ-CD1 4.33Å; F254-F282 AromaticContact CZ-CD2 3.77Å; F254-F282 HydrophobicContact CZ-CD2 3.77Å; F254-F282 HydrophobicContact CZ-CE1 4.49Å; F254-F282 AromaticContact CZ-CE2 3.94Å; F254-F282 HydrophobicContact CZ-CE2 3.94Å; F254-F282 AromaticContact CZ-CG 3.98Å; F254-F282 HydrophobicContact CZ-CG 3.98Å; F254-F282 HydrophobicContact CZ-CZ 4.31Å
255	T	98	Very high	93.6	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	117.2	166.7	-61.9	0	0	0	0	109.7	C35 V37 K52 Y227 L228 L229 V230 V257	C35-T255 HydrophobicContact CB-CG2 4.2Å; C35-T255 WeakPolarHBondContact O-CA 3.37Å; V37-T255 HydrophobicContact CG2-CG2 3.66Å; K52-T255 HydrophobicContact CD-CG2 4.23Å; K52-T255 WeakPolarHBondContact CE-OG1 3.44Å; K52-T255 PolarHBondContact NZ-OG1 2.96Å; Y227-T255 PolarHBondContact OH-OG1 2.86Å; L228-T255 PolarHBondContact O-N 2.81Å; L229-T255 CarbonylContact C-O 3.53Å; L229-T255 VanDerWaalsContact CA-O 3.24Å; L229-T255 WeakPolarHBondContact CA-O 3.24Å; V230-T255 PolarHBondContact N-O 2.84Å; T255-V257 HydrophobicContact CG2-CG2 4.23Å
256	V	96.1	Very high	93	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	139.7	170	-60.9	0	0	0	0	108.7	C35 L36 V37 V230 Y233 F254 L278	C35-V256 PolarHBondContact O-N 3.1Å; L36-V256 WeakPolarHBondContact CA-O 3.4Å; L36-V256 HydrophobicContact CB-CG2 4.14Å; L36-V256 HydrophobicContact CD1-CG2 3.73Å; V37-V256 PolarHBondContact N-O 3.16Å; V230-V256 HydrophobicContact CB-CG1 4.08Å; V230-V256 HydrophobicContact CG2-CG1 4.19Å; V230-V256 CarbonylContact O-C 3.03Å; V230-V256 WeakPolarHBondContact O-CA 3.35Å; Y233-V256 HydrophobicContact CD1-CB 4.05Å; Y233-V256 HydrophobicContact CD1-CG1 4.37Å; Y233-V256 HydrophobicContact CD1-CG2 4.06Å; Y233-V256 HydrophobicContact CD2-CB 3.66Å; Y233-V256 HydrophobicContact CD2-CG1 3.46Å; Y233-V256 VanDerWaalsContact CD2-CG1 3.46Å; Y233-V256 HydrophobicContact CD2-CG2 4.49Å; Y233-V256 HydrophobicContact CE1-CB 4.41Å; Y233-V256 HydrophobicContact CE1-CG1 4.32Å; Y233-V256 HydrophobicContact CE1-CG2 4.26Å; Y233-V256 HydrophobicContact CE2-CB 4.08Å; Y233-V256 HydrophobicContact CE2-CG1 3.41Å; Y233-V256 VanDerWaalsContact CE2-CG1 3.41Å; Y233-V256 HydrophobicContact CG-CB 3.63Å; Y233-V256 HydrophobicContact CG-CG1 3.95Å; Y233-V256 HydrophobicContact CG-CG2 4.15Å; F254-V256 HydrophobicContact CD2-CG1 3.81Å; F254-V256 HydrophobicContact CE2-CG1 3.99Å; F254-V256 HydrophobicContact CE2-CG2 4.26Å; V256-L278 HydrophobicContact CG2-CD1 4.5Å; V256-L278 HydrophobicContact CG2-CD2 3.53Å
257	V	94.3	Very high	92	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	129.3	177.9	-172.2	0	0	0	0	107.5	V37 A39 K45 I49 V230 D231 E232 Y233 T255	V37-V257 HydrophobicContact CB-CB 4.47Å; V37-V257 HydrophobicContact CB-CG1 4.26Å; V37-V257 HydrophobicContact CB-CG2 4.06Å; V37-V257 HydrophobicContact CG1-CG1 4.45Å; V37-V257 HydrophobicContact CG2-CG2 4.37Å; V37-V257 WeakPolarHBondContact O-CA 3.33Å; A39-V257 HydrophobicContact CB-CG1 4.05Å; K45-V257 HydrophobicContact CB-CG1 4Å; K45-V257 HydrophobicContact CD-CG1 3.94Å; K45-V257 HydrophobicContact CG-CG1 3.74Å; I49-V257 HydrophobicContact CD1-CB 4.09Å; I49-V257 HydrophobicContact CD1-CG2 3.78Å; I49-V257 HydrophobicContact CG1-CB 4.46Å; I49-V257 HydrophobicContact CG1-CG2 3.66Å; V230-V257 PolarHBondContact O-N 2.89Å; D231-V257 CarbonylContact C-O 3.48Å; E232-V257 PolarHBondContact N-O 3.24Å; E232-V257 VanDerWaalsContact N-O 3.1Å; Y233-V257 WeakPolarHBondContact CB-O 3.31Å; Y233-V257 PolarHBondContact N-O 3.08Å; T255-V257 HydrophobicContact CG2-CG2 4.23Å
258	G	91.6	Very high	90.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169	172.8	-177.3	0	0	0	0	0	113.1	V37 L38 A39	V37-G258 PolarHBondContact O-N 2.93Å; V37-G258 VanDerWaalsContact O-N 3.15Å; L38-G258 WeakPolarHBondContact CA-O 3.35Å; A39-G258 PolarHBondContact N-O 3.44Å
259	D	90	Very high	90.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.176	C	C	.	.			trans	-147.1	111.9	176.6	180	0.3	0	0	0	108.6	A39 G40 Q234 D261 Q262 K317	A39-D259 WeakPolarHBondContact O-CB 3.35Å; G40-D259 WeakPolarHBondContact CA-OD2 3.41Å; Q234-D259 WeakPolarHBondContact CB-O 3.47Å; Q234-D259 VanDerWaalsContact CD-O 3.24Å; Q234-D259 WeakPolarHBondContact CG-O 3.5Å; D259-D261 PolarHBondContact O-N 2.89Å; D259-D261 WeakPolarHBondContact OD1-CB 3.37Å; D259-D261 PolarHBondContact OD1-N 3.12Å; D259-Q262 HydrophobicContact CB-CB 4.2Å; D259-Q262 HydrophobicContact CB-CG 4.2Å; D259-Q262 PolarHBondContact O-N 3.37Å; D259-Q262 WeakPolarHBondContact OD2-CG 3.28Å; D259-Q262 PolarHBondContact OD2-NE2 3.37Å; D259-K317 WeakPolarHBondContact OD1-CE 3.4Å; D259-K317 IonicContact OD1-NZ 2.74Å; D259-K317 PolarHBondContact OD1-NZ 3.26Å
260	D	88.5	Confident	89.7	Confident	16 Å²	16	36 Å²	36	9%	0.086	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-56.3	-28.8	176.8	49.6	-27.8	0	0	0	113.1	Q262 S263 L275 K317 R611	D260-Q262 PolarHBondContact O-N 3.07Å; D260-S263 WeakPolarHBondContact O-CB 3.39Å; D260-S263 PolarHBondContact O-N 3.11Å; D260-L275 HydrophobicContact CB-CD1 3.75Å; D260-K317 IonicContact OD1-NZ 3.32Å; D260-K317 PolarHBondContact OD1-NZ 3.09Å; D260-R611 WeakPolarHBondContact O-CD 3.29Å; D260-R611 PolarHBondContact O-NE 2.78Å; D260-R611 VanDerWaalsContact O-NE 3.17Å
261	D	90.9	Very high	89.4	Confident	6 Å²	6	34.6 Å²	34.6	3%	0.032	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-73.7	-13.1	176.9	-65.7	-13.1	0	0	0	112.7	D259 I308 H313 K317 R611 Y614	D259-D261 PolarHBondContact O-N 2.89Å; D259-D261 WeakPolarHBondContact OD1-CB 3.37Å; D259-D261 PolarHBondContact OD1-N 3.12Å; D261-I308 HydrophobicContact CB-CD1 4.12Å; D261-I308 HydrophobicContact CB-CG1 3.76Å; D261-H313 IonicContact OD1-CE1 3.16Å; D261-H313 PolarHBondContact OD1-CE1 2.81Å; D261-H313 IonicContact OD1-ND1 3.31Å; D261-H313 IonicContact OD2-CE1 3.32Å; D261-K317 IonicContact OD1-NZ 3.9Å; D261-K317 PolarHBondContact OD1-NZ 3.36Å; D261-K317 WeakPolarHBondContact OD2-CE 3.26Å; D261-K317 IonicContact OD2-NZ 3.06Å; D261-K317 PolarHBondContact OD2-NZ 3.2Å; D261-R611 WeakPolarHBondContact O-CB 3.31Å; D261-R611 WeakPolarHBondContact O-CG 3.43Å; D261-Y614 HydrophobicContact CB-CD1 4.03Å; D261-Y614 HydrophobicContact CB-CE1 3.63Å; D261-Y614 VanDerWaalsContact O-CD1 3.28Å; D261-Y614 WeakPolarHBondContact O-CD1 3.38Å
262	Q	90.8	Very high	88.7	Confident	3 Å²	3	29.8 Å²	29.8	1%	0.014	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-105.8	15.3	176.3	-65.2	-178.7	73.2	0	0	112.4	A41 Q234 D259 D260 I264 K578 Y614 V615	A41-Q262 VanDerWaalsContact N-NE2 3.19Å; Q234-Q262 PolarHBondContact NE2-O 2.77Å; D259-Q262 HydrophobicContact CB-CB 4.2Å; D259-Q262 HydrophobicContact CB-CG 4.2Å; D259-Q262 PolarHBondContact O-N 3.37Å; D259-Q262 WeakPolarHBondContact OD2-CG 3.28Å; D259-Q262 PolarHBondContact OD2-NE2 3.37Å; D260-Q262 PolarHBondContact O-N 3.07Å; Q262-I264 PolarHBondContact O-N 3.14Å; Q262-K578 WeakPolarHBondContact O-CE 3.41Å; Q262-K578 PolarHBondContact O-NZ 3.42Å; Q262-Y614 HydrophobicContact CG-CD1 4.39Å; Q262-Y614 HydrophobicContact CG-CE1 3.8Å; Q262-V615 HydrophobicContact CB-CG2 4.22Å; Q262-V615 HydrophobicContact CG-CG2 4.04Å
263	S	91.2	Very high	88.2	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	15%	0.151	C	C	.	.			trans	-81.4	103.1	174.3	-175.5	0	0	0	0	110.8	Q234 D260 R611	Q234-S263 PolarHBondContact O-OG 3.47Å; D260-S263 WeakPolarHBondContact O-CB 3.39Å; D260-S263 PolarHBondContact O-N 3.11Å; S263-R611 WeakPolarHBondContact O-CD 3.11Å
264	I	88.7	Confident	87.8	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.136	C	C	.	.			trans	-128.5	16.6	-172.5	62.6	166.7	0	0	0	113.5	Q262 W267 H575 K578 R611 L612 V615	Q262-I264 PolarHBondContact O-N 3.14Å; I264-W267 PolarHBondContact O-NE1 3.44Å; I264-H575 PolarHBondContact O-CD2 2.96Å; I264-H575 PolarHBondContact O-NE2 3.15Å; I264-K578 HydrophobicContact CD1-CB 4.2Å; I264-K578 HydrophobicContact CD1-CD 3.98Å; I264-K578 HydrophobicContact CG1-CD 4.09Å; I264-R611 HydrophobicContact CG2-CB 3.91Å; I264-L612 HydrophobicContact CB-CD1 4.18Å; I264-L612 HydrophobicContact CD1-CD1 3.8Å; I264-L612 HydrophobicContact CG2-CB 4.33Å; I264-L612 HydrophobicContact CG2-CD1 4.25Å; I264-V615 HydrophobicContact CD1-CG1 4.46Å; I264-V615 HydrophobicContact CD1-CG2 4.48Å; I264-V615 HydrophobicContact CG2-CG2 4.03Å
265	Y	85.9	Confident	87.2	Confident	51 Å²	51	30.4 Å²	30.4	20%	0.2	14%	0.136	C	C	.	.			trans	-122.7	31	-179.6	-65.5	-68.1	0	0	0	111.9	D235 W267 R268 A270 H575 K578	D235-Y265 HydrophobicContact CB-CD2 4.44Å; D235-Y265 WeakPolarHBondContact OD2-CD2 3.49Å; Y265-W267 HydrophobicContact CD1-CZ2 4.02Å; Y265-W267 HydrophobicContact CE1-CZ2 4.4Å; Y265-W267 PolarHBondContact O-N 2.9Å; Y265-R268 WeakPolarHBondContact O-CA 3.48Å; Y265-R268 WeakPolarHBondContact O-CB 3.25Å; Y265-R268 PolarHBondContact O-N 3.39Å; Y265-A270 VanDerWaalsContact O-CB 3.25Å; Y265-A270 WeakPolarHBondContact O-CB 3.34Å; Y265-A270 PolarHBondContact O-N 3.2Å; Y265-H575 HydrophobicContact CE1-CB 4.41Å; Y265-H575 PolarHBondContact OH-O 2.72Å; Y265-K578 HydrophobicContact CE2-CD 3.97Å
266	S	84.1	Confident	86.7	Confident	35 Å²	35	32.4 Å²	32.4	25%	0.245	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-63	-31.8	179.7	-2.2	0	0	0	0	111.6	R268 G269 A270 E608	S266-R268 PolarHBondContact O-N 2.96Å; S266-R268 VanDerWaalsContact O-N 3.13Å; S266-G269 WeakPolarHBondContact O-CA 3.31Å; S266-G269 PolarHBondContact O-N 2.82Å; S266-A270 WeakPolarHBondContact CA-O 3.4Å; S266-E608 WeakPolarHBondContact CB-OE2 3.41Å; S266-E608 PolarHBondContact N-OE1 3.43Å; S266-E608 PolarHBondContact OG-OE1 3.35Å; S266-E608 PolarHBondContact OG-OE2 2.97Å
267	W	76.8	Confident	86.4	Confident	134 Å²	134	35.4 Å²	35.4	51%	0.508	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-62.5	-13.9	171.4	64.4	-90.7	0	0	0	114.5	I264 Y265 H575	I264-W267 PolarHBondContact O-NE1 3.44Å; Y265-W267 HydrophobicContact CD1-CZ2 4.02Å; Y265-W267 HydrophobicContact CE1-CZ2 4.4Å; Y265-W267 PolarHBondContact O-N 2.9Å; W267-H575 AromaticContact NE1-CD2 3.96Å; W267-H575 AromaticContact NE1-NE2 3.63Å
268	R	74.3	Confident	86.3	Confident	140 Å²	140	35.3 Å²	35.3	53%	0.528	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-101	15.9	169.3	-66.3	-171.7	157.7	-172.5	-9.6	113	Y265 S266	Y265-R268 WeakPolarHBondContact O-CA 3.48Å; Y265-R268 WeakPolarHBondContact O-CB 3.25Å; Y265-R268 PolarHBondContact O-N 3.39Å; S266-R268 PolarHBondContact O-N 2.96Å; S266-R268 VanDerWaalsContact O-N 3.13Å
269	G	81.1	Confident	86.1	Confident	14 Å²	14	37.5 Å²	37.5	14%	0.144	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	7.4	179.6	0	0	0	0	0	115.1	N237 S266 R271	N237-G269 WeakPolarHBondContact CA-O 3.26Å; N237-G269 WeakPolarHBondContact CB-O 3.4Å; S266-G269 WeakPolarHBondContact O-CA 3.31Å; S266-G269 PolarHBondContact O-N 2.82Å; G269-R271 PolarHBondContact O-N 3.04Å
270	A	85.8	Confident	86.2	Confident	7 Å²	7	43.6 Å²	43.6	6%	0.058	21%	0.207	C	C	.	.			trans	-61.6	136.4	173.4	0	0	0	0	0	110.9	D235 T236 Y265 S266	D235-A270 VanDerWaalsContact O-CB 3.25Å; D235-A270 WeakPolarHBondContact O-CB 3.28Å; T236-A270 WeakPolarHBondContact O-CA 3.41Å; Y265-A270 VanDerWaalsContact O-CB 3.25Å; Y265-A270 WeakPolarHBondContact O-CB 3.34Å; Y265-A270 PolarHBondContact O-N 3.2Å; S266-A270 WeakPolarHBondContact CA-O 3.4Å
271	R	84.4	Confident	86.5	Confident	96 Å²	96	46 Å²	46	36%	0.362	22%	0.22	S	C	.	.			trans	-120.5	100.8	-177.8	-65.7	-171.3	-179.8	-153.7	1.5	109.9	D162 T236 T238 G269 Q273 N274	D162-R271 IonicContact OD1-CZ 2.79Å; D162-R271 IonicContact OD1-NE 2.65Å; D162-R271 IonicContact OD1-NH2 3.4Å; D162-R271 PolarHBondContact OD1-NH2 3.03Å; D162-R271 IonicContact OD2-NH2 3.25Å; D162-R271 PolarHBondContact OD2-NH2 2.77Å; T236-R271 PolarHBondContact O-N 3.46Å; T238-R271 VanDerWaalsContact OG1-CZ 3.3Å; T238-R271 PolarHBondContact OG1-NE 3.45Å; T238-R271 VanDerWaalsContact OG1-NE 3.11Å; G269-R271 PolarHBondContact O-N 3.04Å; R271-Q273 PolarHBondContact O-N 3.44Å; R271-N274 VanDerWaalsContact O-CB 3.25Å; R271-N274 WeakPolarHBondContact O-CB 3.41Å; R271-N274 VanDerWaalsContact O-CG 3.32Å; R271-N274 PolarHBondContact O-N 2.75Å
272	P	78.7	Confident	86.8	Confident	19 Å²	19	46.8 Å²	46.8	12%	0.123	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-28.3	174.3	-21	26.7	0	0	0	112.8	N274 L275	P272-N274 PolarHBondContact O-N 3.45Å; P272-N274 VanDerWaalsContact O-N 3.13Å; P272-L275 PolarHBondContact O-N 3.11Å
273	Q	85.9	Confident	86.8	Confident	112 Å²	112	52.3 Å²	52.3	52%	0.523	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-20.3	176.8	-57.3	79.7	9.5	0	0	112.6	R271 L275 V276 L277	R271-Q273 PolarHBondContact O-N 3.44Å; Q273-L275 PolarHBondContact O-N 2.96Å; Q273-V276 CarbonylContact O-C 3.51Å; Q273-V276 WeakPolarHBondContact O-CA 3.28Å; Q273-V276 WeakPolarHBondContact O-CB 3.25Å; Q273-V276 PolarHBondContact O-N 2.82Å; Q273-L277 WeakPolarHBondContact O-CG 3.3Å; Q273-L277 PolarHBondContact O-N 3.19Å
274	N	88.8	Confident	87	Confident	3 Å²	3	56 Å²	56	2%	0.016	29%	0.29	C	S	.	.	H	α-helix	trans	-57.9	-32.1	175.5	-72.9	-7.3	0	0	0	112.4	T236 N237 Y241 R271 P272 V276 L278	T236-N274 PolarHBondContact O-ND2 3.45Å; T236-N274 PolarHBondContact OG1-ND2 2.97Å; N237-N274 PolarHBondContact O-ND2 3.47Å; Y241-N274 HydrophobicContact CD2-CB 4.06Å; R271-N274 VanDerWaalsContact O-CB 3.25Å; R271-N274 WeakPolarHBondContact O-CB 3.41Å; R271-N274 VanDerWaalsContact O-CG 3.32Å; R271-N274 PolarHBondContact O-N 2.75Å; P272-N274 PolarHBondContact O-N 3.45Å; P272-N274 VanDerWaalsContact O-N 3.13Å; N274-V276 VanDerWaalsContact C-N 3.29Å; N274-V276 PolarHBondContact O-N 3.3Å; N274-L278 WeakPolarHBondContact O-CB 3.4Å; N274-L278 PolarHBondContact O-N 3.28Å
275	L	86.1	Confident	87.3	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-66.1	-34	173.5	-72.4	167.6	0	0	0	112.2	L36 Y233 Q234 D260 P272 Q273 F315	L36-L275 HydrophobicContact CD1-CD2 3.49Å; L36-L275 VanDerWaalsContact CD1-CD2 3.49Å; L36-L275 HydrophobicContact CD2-CD2 3.97Å; L36-L275 HydrophobicContact CG-CD2 4.41Å; Y233-L275 HydrophobicContact CD1-CD2 3.75Å; Y233-L275 HydrophobicContact CD1-CG 4.38Å; Q234-L275 HydrophobicContact CB-CD1 4.05Å; D260-L275 HydrophobicContact CB-CD1 3.75Å; P272-L275 PolarHBondContact O-N 3.11Å; Q273-L275 PolarHBondContact O-N 2.96Å; L275-F315 HydrophobicContact CB-CE2 3.89Å
276	V	86.6	Confident	87.8	Confident	43 Å²	43	59 Å²	59	26%	0.261	31%	0.305	S	S	.	.	H	α-helix	trans	-75.7	-46.9	176.9	-172	0	0	0	0	110.4	Q273 N274 L278 S279 Q280 V314 F315	Q273-V276 CarbonylContact O-C 3.51Å; Q273-V276 WeakPolarHBondContact O-CA 3.28Å; Q273-V276 WeakPolarHBondContact O-CB 3.25Å; Q273-V276 PolarHBondContact O-N 2.82Å; N274-V276 VanDerWaalsContact C-N 3.29Å; N274-V276 PolarHBondContact O-N 3.3Å; V276-L278 PolarHBondContact O-N 3.02Å; V276-S279 WeakPolarHBondContact O-CB 3.4Å; V276-S279 PolarHBondContact O-N 3.34Å; V276-Q280 PolarHBondContact O-N 2.84Å; V276-V314 HydrophobicContact CG1-CG1 4.46Å; V276-V314 HydrophobicContact CG2-CB 4.15Å; V276-V314 HydrophobicContact CG2-CG1 3.84Å; V276-V314 HydrophobicContact CG2-CG2 3.98Å; V276-F315 HydrophobicContact CG2-CE2 4.41Å
277	L	90.9	Very high	88.3	Confident	62 Å²	62	59.6 Å²	59.6	33%	0.325	31%	0.307	S	S	.	.	H	α-helix	trans	-58.4	-36.5	177.1	-69.5	172.1	0	0	0	111.6	Y241 Q273 S279 Q280 D281	Y241-L277 HydrophobicContact CE1-CB 4.46Å; Y241-L277 PolarHBondContact OH-O 3.19Å; Q273-L277 WeakPolarHBondContact O-CG 3.3Å; Q273-L277 PolarHBondContact O-N 3.19Å; L277-S279 PolarHBondContact O-N 3.4Å; L277-Q280 WeakPolarHBondContact O-CB 3.38Å; L277-Q280 PolarHBondContact O-N 3.47Å; L277-D281 PolarHBondContact O-N 3.22Å
278	L	91.5	Very high	89.2	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-55.3	-38.5	175	-165.3	87.8	0	0	0	112.3	L36 Y233 Y241 F254 V256 N274 V276 Q280 F282 L285	L36-L278 HydrophobicContact CB-CD2 3.98Å; L36-L278 HydrophobicContact CD2-CD2 4.46Å; Y233-L278 HydrophobicContact CE1-CD1 4Å; Y233-L278 WeakPolarHBondContact OH-CD1 3.44Å; Y241-L278 HydrophobicContact CE2-CD1 4.22Å; F254-L278 HydrophobicContact CE2-CD1 3.96Å; F254-L278 HydrophobicContact CE2-CD2 4.33Å; F254-L278 HydrophobicContact CZ-CD1 3.91Å; F254-L278 HydrophobicContact CZ-CG 4.44Å; V256-L278 HydrophobicContact CG2-CD1 4.5Å; V256-L278 HydrophobicContact CG2-CD2 3.53Å; N274-L278 WeakPolarHBondContact O-CB 3.4Å; N274-L278 PolarHBondContact O-N 3.28Å; V276-L278 PolarHBondContact O-N 3.02Å; L278-Q280 VanDerWaalsContact C-N 3.29Å; L278-Q280 PolarHBondContact O-N 2.91Å; L278-F282 HydrophobicContact CD1-CD2 4.08Å; L278-F282 HydrophobicContact CD1-CE2 4.31Å; L278-F282 HydrophobicContact CG-CD2 4.35Å; L278-F282 WeakPolarHBondContact O-CB 3.5Å; L278-F282 PolarHBondContact O-N 3.13Å; L278-L285 HydrophobicContact CB-CD2 4.34Å; L278-L285 HydrophobicContact CD2-CD1 3.48Å; L278-L285 VanDerWaalsContact CD2-CD1 3.48Å; L278-L285 HydrophobicContact CD2-CD2 3.62Å; L278-L285 HydrophobicContact CD2-CG 4.19Å; L278-L285 HydrophobicContact CG-CD1 4.07Å; L278-L285 HydrophobicContact CG-CD2 4.05Å
279	S	87.9	Confident	90.1	Very high	45 Å²	45	51 Å²	51	32%	0.315	28%	0.277	S	S	.	.	H	α-helix	trans	-71.5	-26.1	179.3	-55.3	0	0	0	0	112.4	V276 L277 L285	V276-S279 WeakPolarHBondContact O-CB 3.4Å; V276-S279 PolarHBondContact O-N 3.34Å; L277-S279 PolarHBondContact O-N 3.4Å; S279-L285 WeakPolarHBondContact OG-CD2 3.38Å
280	Q	92.6	Very high	90.7	Very high	128 Å²	128	50.4 Å²	50.4	60%	0.598	27%	0.271	S	S	*	.	H	α-helix	trans	-82	-48.4	177.1	-59.3	178	11.4	0	0	110.9	V276 L277 L278 F282	V276-Q280 PolarHBondContact O-N 2.84Å; L277-Q280 WeakPolarHBondContact O-CB 3.38Å; L277-Q280 PolarHBondContact O-N 3.47Å; L278-Q280 VanDerWaalsContact C-N 3.29Å; L278-Q280 PolarHBondContact O-N 2.91Å; Q280-F282 VanDerWaalsContact C-N 3.34Å; Q280-F282 PolarHBondContact O-N 3.01Å
281	D	94.6	Very high	90.9	Very high	67 Å²	67	53.5 Å²	53.5	36%	0.358	28%	0.284	S	S	.	.	H	α-helix	trans	-72.2	-27.5	-177.2	-76.2	-11.5	0	0	0	112.5	Y241 K245 L277	Y241-D281 WeakPolarHBondContact CE1-OD2 3.46Å; Y241-D281 WeakPolarHBondContact OH-CB 3.34Å; Y241-D281 VanDerWaalsContact OH-CG 3.31Å; Y241-D281 PolarHBondContact OH-OD2 3.17Å; K245-D281 WeakPolarHBondContact CD-OD2 3.3Å; K245-D281 VanDerWaalsContact CE-OD2 3.3Å; K245-D281 WeakPolarHBondContact CE-OD2 3.39Å; K245-D281 IonicContact NZ-OD2 2.94Å; K245-D281 PolarHBondContact NZ-OD2 2.89Å; L277-D281 PolarHBondContact O-N 3.22Å
282	F	95.5	Very high	91.4	Very high	23 Å²	23	50 Å²	50	10%	0.101	27%	0.272	C	S	.	.			trans	-122.6	83.6	175.3	-60.9	-81.7	0	0	0	110.7	P34 K245 V248 A252 F254 L278 Q280 A284 L285	P34-F282 HydrophobicContact CB-CB 3.97Å; P34-F282 HydrophobicContact CB-CD1 4.35Å; P34-F282 HydrophobicContact CB-CG 4.25Å; P34-F282 HydrophobicContact CG-CB 4.05Å; K245-F282 HydrophobicContact CG-CE2 4.05Å; K245-F282 HydrophobicContact CG-CZ 4.17Å; V248-F282 HydrophobicContact CG2-CE1 4.04Å; V248-F282 HydrophobicContact CG2-CZ 3.67Å; A252-F282 HydrophobicContact CB-CD1 3.8Å; A252-F282 HydrophobicContact CB-CE1 3.9Å; F254-F282 AromaticContact CE1-CD1 3.87Å; F254-F282 HydrophobicContact CE1-CD1 3.87Å; F254-F282 HydrophobicContact CE1-CD2 4.02Å; F254-F282 AromaticContact CE1-CE1 3.77Å; F254-F282 HydrophobicContact CE1-CE1 3.77Å; F254-F282 AromaticContact CE1-CE2 3.91Å; F254-F282 HydrophobicContact CE1-CE2 3.91Å; F254-F282 AromaticContact CE1-CG 4Å; F254-F282 HydrophobicContact CE1-CG 4Å; F254-F282 AromaticContact CE1-CZ 3.78Å; F254-F282 HydrophobicContact CE1-CZ 3.78Å; F254-F282 HydrophobicContact CZ-CD1 4.33Å; F254-F282 AromaticContact CZ-CD2 3.77Å; F254-F282 HydrophobicContact CZ-CD2 3.77Å; F254-F282 HydrophobicContact CZ-CE1 4.49Å; F254-F282 AromaticContact CZ-CE2 3.94Å; F254-F282 HydrophobicContact CZ-CE2 3.94Å; F254-F282 AromaticContact CZ-CG 3.98Å; F254-F282 HydrophobicContact CZ-CG 3.98Å; F254-F282 HydrophobicContact CZ-CZ 4.31Å; L278-F282 HydrophobicContact CD1-CD2 4.08Å; L278-F282 HydrophobicContact CD1-CE2 4.31Å; L278-F282 HydrophobicContact CG-CD2 4.35Å; L278-F282 WeakPolarHBondContact O-CB 3.5Å; L278-F282 PolarHBondContact O-N 3.13Å; Q280-F282 VanDerWaalsContact C-N 3.34Å; Q280-F282 PolarHBondContact O-N 3.01Å; F282-A284 PolarHBondContact O-N 2.71Å; F282-L285 HydrophobicContact CB-CB 4.46Å; F282-L285 WeakPolarHBondContact O-CB 3.22Å; F282-L285 PolarHBondContact O-N 3.11Å
283	P	92.3	Very high	92.1	Very high	119 Å²	119	49.2 Å²	49.2	77%	0.773	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.4	-175.3	-26.2	34.3	0	0	0	114.9	L285	P283-L285 PolarHBondContact O-N 2.96Å
284	A	94.3	Very high	92.3	Very high	78 Å²	78	48.9 Å²	48.9	65%	0.645	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	11.7	175.5	0	0	0	0	0	113.5	P34 F282 K286	P34-A284 HydrophobicContact CG-CB 4.29Å; F282-A284 PolarHBondContact O-N 2.71Å; A284-K286 PolarHBondContact O-N 2.93Å; A284-K286 VanDerWaalsContact O-N 3.17Å
285	L	95.5	Very high	92.5	Very high	24 Å²	24	50.2 Å²	50.2	13%	0.126	27%	0.266	C	S	.	.			trans	-57.8	118.2	-177.1	-179	72.2	0	0	0	110.9	P34 L36 L278 S279 F282 P283 V287	P34-L285 HydrophobicContact CB-CD1 4.06Å; L36-L285 HydrophobicContact CB-CD1 3.94Å; L36-L285 HydrophobicContact CB-CD2 4.09Å; L36-L285 HydrophobicContact CB-CG 4.22Å; L36-L285 HydrophobicContact CD2-CD2 4.39Å; L278-L285 HydrophobicContact CB-CD2 4.34Å; L278-L285 HydrophobicContact CD2-CD1 3.48Å; L278-L285 VanDerWaalsContact CD2-CD1 3.48Å; L278-L285 HydrophobicContact CD2-CD2 3.62Å; L278-L285 HydrophobicContact CD2-CG 4.19Å; L278-L285 HydrophobicContact CG-CD1 4.07Å; L278-L285 HydrophobicContact CG-CD2 4.05Å; S279-L285 WeakPolarHBondContact OG-CD2 3.38Å; F282-L285 HydrophobicContact CB-CB 4.46Å; F282-L285 WeakPolarHBondContact O-CB 3.22Å; F282-L285 PolarHBondContact O-N 3.11Å; P283-L285 PolarHBondContact O-N 2.96Å; L285-V287 HydrophobicContact CD2-CG2 4.09Å; L285-V287 HydrophobicContact CG-CG2 4.31Å; L285-V287 PolarHBondContact O-N 3.25Å
286	K	96.2	Very high	92.9	Very high	90 Å²	90	50.2 Å²	50.2	39%	0.391	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	109.5	171.3	-173.8	65.6	-178.7	177	0	109.9	F30 P34 C35 L36 A284 I288	F30-K286 HydrophobicContact CD1-CB 4.24Å; F30-K286 HydrophobicContact CD2-CB 4.3Å; F30-K286 HydrophobicContact CD2-CG 4.03Å; F30-K286 HydrophobicContact CE1-CB 3.69Å; F30-K286 HydrophobicContact CE1-CG 4.4Å; F30-K286 HydrophobicContact CE2-CB 3.75Å; F30-K286 HydrophobicContact CE2-CG 3.85Å; F30-K286 HydrophobicContact CG-CG 4.38Å; F30-K286 HydrophobicContact CZ-CB 3.41Å; F30-K286 VanDerWaalsContact CZ-CB 3.41Å; F30-K286 HydrophobicContact CZ-CG 4.05Å; P34-K286 PolarHBondContact O-N 2.92Å; C35-K286 WeakPolarHBondContact CA-O 3.48Å; L36-K286 PolarHBondContact N-O 3.3Å; A284-K286 PolarHBondContact O-N 2.93Å; A284-K286 VanDerWaalsContact O-N 3.17Å; K286-I288 HydrophobicContact CG-CD1 4.37Å; K286-I288 HydrophobicContact CG-CG1 4.1Å
287	V	94.4	Very high	93.4	Very high	47 Å²	47	48.5 Å²	48.5	29%	0.285	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	125.5	171.7	-172.7	0	0	0	0	109.7	L36 L38 L285	L36-V287 HydrophobicContact CB-CG2 4.47Å; L36-V287 HydrophobicContact CD2-CG1 4.44Å; L36-V287 HydrophobicContact CD2-CG2 4.34Å; L36-V287 CarbonylContact O-C 3.39Å; L36-V287 WeakPolarHBondContact O-CA 3.12Å; L38-V287 HydrophobicContact CB-CG1 4.4Å; L285-V287 HydrophobicContact CD2-CG2 4.09Å; L285-V287 HydrophobicContact CG-CG2 4.31Å; L285-V287 PolarHBondContact O-N 3.25Å
288	I	94.9	Very high	93.6	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.2	175.8	-60	172.3	0	0	0	107.6	Q26 A27 F30 L36 V37 L38 K286 L290	Q26-I288 HydrophobicContact CB-CD1 4.47Å; Q26-I288 HydrophobicContact CG-CD1 3.91Å; Q26-I288 HydrophobicContact CG-CG1 4.43Å; A27-I288 HydrophobicContact CB-CD1 4.31Å; A27-I288 HydrophobicContact CB-CG2 4.12Å; F30-I288 HydrophobicContact CB-CD1 4.09Å; L36-I288 PolarHBondContact O-N 3.34Å; V37-I288 CarbonylContact C-O 3.58Å; V37-I288 WeakPolarHBondContact CA-O 3.4Å; L38-I288 PolarHBondContact N-O 2.97Å; K286-I288 HydrophobicContact CG-CD1 4.37Å; K286-I288 HydrophobicContact CG-CG1 4.1Å; I288-L290 HydrophobicContact CG2-CD2 4.4Å
289	K	93.4	Very high	93.9	Very high	90 Å²	90	47.7 Å²	47.7	39%	0.391	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	132.3	-177.7	-57.8	-176.6	-177.1	-179.5	0	110.6	L38 E291 E316	L38-K289 HydrophobicContact CB-CG 4.4Å; L38-K289 HydrophobicContact CD2-CG 4.38Å; L38-K289 CarbonylContact O-C 3.56Å; L38-K289 WeakPolarHBondContact O-CA 3.31Å; K289-E291 HydrophobicContact CB-CG 4.28Å; K289-E316 PolarHBondContact NZ-O 2.99Å
290	L	93.9	Very high	94.3	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.016	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	100.8	172	-50.7	-177.5	0	0	0	109.4	G23 Q24 V37 L38 A39 G40 S43 V48 I288	G23-L290 WeakPolarHBondContact O-CD2 3.44Å; Q24-L290 HydrophobicContact CG-CD1 4.26Å; Q24-L290 HydrophobicContact CG-CD2 4.13Å; V37-L290 HydrophobicContact CG1-CD1 3.51Å; V37-L290 HydrophobicContact CG1-CD2 4.39Å; V37-L290 HydrophobicContact CG1-CG 3.69Å; L38-L290 PolarHBondContact O-N 3.47Å; A39-L290 HydrophobicContact CB-CB 4.1Å; A39-L290 HydrophobicContact CB-CD1 3.87Å; A39-L290 HydrophobicContact CB-CG 4.19Å; G40-L290 PolarHBondContact N-O 3.17Å; S43-L290 WeakPolarHBondContact CB-O 3.47Å; V48-L290 HydrophobicContact CG2-CD1 3.76Å; I288-L290 HydrophobicContact CG2-CD2 4.4Å
291	E	91.2	Very high	94.4	Very high	71 Å²	71	39.5 Å²	39.5	33%	0.332	21%	0.209	S	C	.	.			trans	-104	-19.5	-171.4	-65.9	-176.2	129.4	0	0	113.5	K289 N293 R318 L319 F320	K289-E291 HydrophobicContact CB-CG 4.28Å; E291-N293 PolarHBondContact O-N 3.03Å; E291-R318 WeakPolarHBondContact CB-O 3.31Å; E291-R318 PolarHBondContact OE1-N 3.08Å; E291-R318 VanDerWaalsContact OE1-N 3.15Å; E291-L319 WeakPolarHBondContact O-CA 3.27Å; E291-L319 WeakPolarHBondContact O-CD2 3.48Å; E291-F320 HydrophobicContact CB-CD1 4.18Å; E291-F320 HydrophobicContact CB-CE1 3.98Å; E291-F320 PolarHBondContact O-N 2.95Å
292	Q	93.7	Very high	94.5	Very high	24 Å²	24	38.7 Å²	38.7	11%	0.112	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	115.2	177.8	-171.3	174	5.2	0	0	110.5	S43 Y294 F320 E322	S43-Q292 VanDerWaalsContact CA-O 3.29Å; S43-Q292 WeakPolarHBondContact CA-O 3.47Å; Q292-Y294 HydrophobicContact CB-CE2 4.29Å; Q292-Y294 HydrophobicContact CG-CE1 4.18Å; Q292-Y294 HydrophobicContact CG-CE2 4.03Å; Q292-Y294 PolarHBondContact NE2-OH 3.42Å; Q292-Y294 WeakPolarHBondContact O-CE2 3.5Å; Q292-Y294 PolarHBondContact OE1-OH 2.83Å; Q292-F320 CarbonylContact C-O 3.59Å; Q292-F320 WeakPolarHBondContact CA-O 3.37Å; Q292-F320 HydrophobicContact CB-CE1 4.24Å; Q292-F320 HydrophobicContact CB-CE2 4.06Å; Q292-F320 HydrophobicContact CB-CZ 3.78Å; Q292-F320 HydrophobicContact CG-CE2 3.9Å; Q292-F320 HydrophobicContact CG-CZ 4.13Å; Q292-E322 PolarHBondContact NE2-OE1 3.46Å
293	N	92.9	Very high	94.6	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	137.9	173.3	174.4	-68.8	0	0	0	110.5	A41 G42 E291 R295 S296 L301 L319 F320 S321	A41-N293 PolarHBondContact O-ND2 2.88Å; G42-N293 WeakPolarHBondContact CA-ND2 3.45Å; E291-N293 PolarHBondContact O-N 3.03Å; N293-R295 PolarHBondContact OD1-N 3.1Å; N293-S296 PolarHBondContact OD1-N 3.35Å; N293-L301 HydrophobicContact CB-CD1 3.54Å; N293-L301 HydrophobicContact CB-CD2 4.2Å; N293-L319 HydrophobicContact CB-CD2 4.48Å; N293-F320 PolarHBondContact N-O 3.09Å; N293-S321 WeakPolarHBondContact O-CB 3.46Å; N293-S321 PolarHBondContact O-OG 3.37Å
294	Y	92	Very high	94.8	Very high	105 Å²	105	31.9 Å²	31.9	41%	0.412	16%	0.161	S	C	.	.	S	Bend	trans	-113.7	6.5	-179.6	-63.8	-83.8	0	0	0	113.5	N21 G42 Q292	N21-Y294 WeakPolarHBondContact CB-OH 3.29Å; N21-Y294 PolarHBondContact ND2-OH 3.08Å; G42-Y294 PolarHBondContact O-N 3.13Å; Q292-Y294 HydrophobicContact CB-CE2 4.29Å; Q292-Y294 HydrophobicContact CG-CE1 4.18Å; Q292-Y294 HydrophobicContact CG-CE2 4.03Å; Q292-Y294 PolarHBondContact NE2-OH 3.42Å; Q292-Y294 WeakPolarHBondContact O-CE2 3.5Å; Q292-Y294 PolarHBondContact OE1-OH 2.83Å
295	R	91.9	Very high	94.9	Very high	32 Å²	32	29.1 Å²	29.1	12%	0.121	14%	0.135	C	C	.	.	S	Bend	trans	-106.1	-53	-168.8	175.2	-169.6	-65.9	-176	-15.8	112.2	N293 L580 E581 T618 Q621	N293-R295 PolarHBondContact OD1-N 3.1Å; R295-L580 PolarHBondContact NH1-O 2.58Å; R295-E581 HydrophobicContact CG-CB 4.18Å; R295-E581 IonicContact CZ-OE2 2.77Å; R295-E581 IonicContact NE-OE2 3.75Å; R295-E581 PolarHBondContact NE-OE2 3.33Å; R295-E581 IonicContact NH2-OE2 3.74Å; R295-E581 PolarHBondContact NH2-OE2 2.86Å; R295-T618 WeakPolarHBondContact CD-O 2.92Å; R295-T618 PolarHBondContact NH1-O 3.22Å; R295-Q621 HydrophobicContact CG-CG 3.66Å; R295-Q621 WeakPolarHBondContact O-CA 3.39Å; R295-Q621 WeakPolarHBondContact O-CB 3.46Å; R295-Q621 WeakPolarHBondContact O-CG 3.27Å
296	S	95.6	Very high	95	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-106.5	149.6	-164.8	-57.8	0	0	0	0	111.1	N293 S321 A620 Q621	N293-S296 PolarHBondContact OD1-N 3.35Å; S296-S321 WeakPolarHBondContact O-CB 3.38Å; S296-S321 PolarHBondContact O-OG 3.35Å; S296-A620 WeakPolarHBondContact CB-O 3.4Å; S296-A620 PolarHBondContact OG-O 3.07Å; S296-Q621 WeakPolarHBondContact CA-O 3.11Å
297	S	95.6	Very high	95	Very high	7 Å²	7	26.5 Å²	26.5	5%	0.049	13%	0.125	C	C	.	.			trans	-60.6	155.9	171.7	69.2	0	0	0	0	111.8	R299 I300 L301 G324 Y325 Q621	S297-R299 PolarHBondContact O-N 2.71Å; S297-I300 PolarHBondContact O-N 3.18Å; S297-I300 WeakPolarHBondContact OG-CD1 3.35Å; S297-I300 WeakPolarHBondContact OG-CG1 3.45Å; S297-L301 PolarHBondContact O-N 2.99Å; S297-L301 VanDerWaalsContact O-N 3.14Å; S297-G324 WeakPolarHBondContact CA-O 3.32Å; S297-G324 WeakPolarHBondContact CB-O 3.21Å; S297-Y325 WeakPolarHBondContact CB-O 3.47Å; S297-Y325 PolarHBondContact OG-O 3.39Å; S297-Q621 PolarHBondContact N-O 3.28Å
298	G	95.7	Very high	95.1	Very high	14 Å²	14	24.6 Å²	24.6	14%	0.144	11%	0.113	C	C	.	.	H	α-helix	trans	-57.4	-35.2	-178.1	0	0	0	0	0	113.6	L301 K302 G324 Y325	G298-L301 PolarHBondContact O-N 3.36Å; G298-K302 PolarHBondContact O-N 2.8Å; G298-G324 PolarHBondContact N-O 2.94Å; G298-G324 VanDerWaalsContact N-O 3.16Å; G298-Y325 PolarHBondContact N-O 3.31Å
299	R	96.8	Very high	95.1	Very high	31 Å²	31	27.6 Å²	27.6	12%	0.117	14%	0.138	C	C	.	.	H	α-helix	trans	-70.6	-43.2	179.6	-178.2	173	-87.3	174.9	-29.5	112.7	S297 L301 K302 A303 Y325 G326 T327 E328 L329 D654	S297-R299 PolarHBondContact O-N 2.71Å; R299-L301 VanDerWaalsContact C-N 3.26Å; R299-L301 PolarHBondContact O-N 2.89Å; R299-K302 PolarHBondContact O-N 3.25Å; R299-A303 WeakPolarHBondContact O-CB 3.34Å; R299-A303 PolarHBondContact O-N 3.45Å; R299-Y325 WeakPolarHBondContact CA-O 3.17Å; R299-Y325 HydrophobicContact CB-CD1 3.99Å; R299-Y325 HydrophobicContact CB-CE1 3.91Å; R299-Y325 HydrophobicContact CB-CG 4.36Å; R299-Y325 WeakPolarHBondContact CB-O 3.26Å; R299-Y325 HydrophobicContact CG-CE1 4.19Å; R299-Y325 PolarHBondContact N-O 3.13Å; R299-G326 PolarHBondContact NH1-O 2.89Å; R299-T327 WeakPolarHBondContact CD-O 3.34Å; R299-E328 VanDerWaalsContact NH1-N 3.11Å; R299-E328 IonicContact NH2-OE1 2.82Å; R299-E328 PolarHBondContact NH2-OE1 3.48Å; R299-L329 HydrophobicContact CG-CG 4.47Å; R299-D654 HydrophobicContact CG-CB 3.87Å; R299-D654 IonicContact CZ-OD1 3.28Å; R299-D654 VanDerWaalsContact CZ-OD1 3.25Å; R299-D654 IonicContact NE-OD1 2.92Å; R299-D654 PolarHBondContact NE-OD1 2.9Å; R299-D654 IonicContact NH2-OD1 3.54Å; R299-D654 PolarHBondContact NH2-OD1 2.67Å
300	I	97.3	Very high	95.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.7	-42	173.7	-68.7	168.6	0	0	0	109.8	S297 A303 A304 L329 I617 A620	S297-I300 PolarHBondContact O-N 3.18Å; S297-I300 WeakPolarHBondContact OG-CD1 3.35Å; S297-I300 WeakPolarHBondContact OG-CG1 3.45Å; I300-A303 PolarHBondContact O-N 3.41Å; I300-A304 WeakPolarHBondContact O-CB 3.28Å; I300-A304 PolarHBondContact O-N 3.31Å; I300-L329 HydrophobicContact CG1-CD2 4.07Å; I300-I617 HydrophobicContact CG2-CG2 3.92Å; I300-I617 WeakPolarHBondContact CG2-O 3.41Å; I300-A620 HydrophobicContact CD1-CB 3.81Å
301	L	95.7	Very high	95.3	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-71	-37.8	178.4	-66.1	177.8	0	0	0	113.5	N293 S297 G298 R299 A303 A304 N305 L319	N293-L301 HydrophobicContact CB-CD1 3.54Å; N293-L301 HydrophobicContact CB-CD2 4.2Å; S297-L301 PolarHBondContact O-N 2.99Å; S297-L301 VanDerWaalsContact O-N 3.14Å; G298-L301 PolarHBondContact O-N 3.36Å; R299-L301 VanDerWaalsContact C-N 3.26Å; R299-L301 PolarHBondContact O-N 2.89Å; L301-A303 VanDerWaalsContact C-N 3.28Å; L301-A303 PolarHBondContact O-N 3.34Å; L301-A304 PolarHBondContact O-N 3.08Å; L301-N305 WeakPolarHBondContact O-CB 3.08Å; L301-N305 VanDerWaalsContact O-CG 3.29Å; L301-N305 PolarHBondContact O-N 3.27Å; L301-N305 PolarHBondContact O-ND2 3.21Å; L301-L319 HydrophobicContact CD2-CB 4.34Å; L301-L319 HydrophobicContact CD2-CD1 4.27Å
302	K	96.7	Very high	95.2	Very high	49 Å²	49	28.6 Å²	28.6	21%	0.213	16%	0.155	C	C	.	.	H	α-helix	trans	-57.7	-47.7	172.5	179.1	-174.5	163.9	-159	0	109.8	G298 R299 N305 I306 Y325 P651 D653 D654	G298-K302 PolarHBondContact O-N 2.8Å; R299-K302 PolarHBondContact O-N 3.25Å; K302-N305 PolarHBondContact O-N 3.1Å; K302-I306 HydrophobicContact CD-CD1 4.41Å; K302-I306 HydrophobicContact CG-CD1 3.74Å; K302-I306 WeakPolarHBondContact O-CB 3.31Å; K302-I306 VanDerWaalsContact O-CG1 3.31Å; K302-I306 WeakPolarHBondContact O-CG1 3.35Å; K302-I306 PolarHBondContact O-N 2.91Å; K302-Y325 WeakPolarHBondContact CD-OH 3.44Å; K302-Y325 PolarHBondContact NZ-OH 3.5Å; K302-P651 HydrophobicContact CG-CG 4.49Å; K302-D653 IonicContact NZ-OD1 2.72Å; K302-D653 PolarHBondContact NZ-OD1 2.88Å; K302-D653 IonicContact NZ-OD2 2.78Å; K302-D653 PolarHBondContact NZ-OD2 3.31Å; K302-D654 VanDerWaalsContact CD-OD2 3.28Å; K302-D654 WeakPolarHBondContact CD-OD2 3.2Å; K302-D654 WeakPolarHBondContact CE-OD2 3.13Å; K302-D654 IonicContact NZ-OD2 3.54Å; K302-D654 PolarHBondContact NZ-OD2 2.99Å
303	A	97.4	Very high	94.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.9	-46.7	178	0	0	0	0	0	112.4	R299 I300 L301 I306 L307 L329 L650 P651	R299-A303 WeakPolarHBondContact O-CB 3.34Å; R299-A303 PolarHBondContact O-N 3.45Å; I300-A303 PolarHBondContact O-N 3.41Å; L301-A303 VanDerWaalsContact C-N 3.28Å; L301-A303 PolarHBondContact O-N 3.34Å; A303-I306 PolarHBondContact O-N 3.15Å; A303-L307 WeakPolarHBondContact O-CB 3.41Å; A303-L307 PolarHBondContact O-N 3.1Å; A303-L329 HydrophobicContact CB-CD1 3.39Å; A303-L650 HydrophobicContact CB-CD2 4.08Å; A303-L650 WeakPolarHBondContact O-CD2 3.3Å; A303-P651 HydrophobicContact CB-CG 3.95Å
304	A	96.7	Very high	94.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.6	-46.9	176.3	0	0	0	0	0	112.7	I300 L301 L307 I308 Y614 I617 T618	I300-A304 WeakPolarHBondContact O-CB 3.28Å; I300-A304 PolarHBondContact O-N 3.31Å; L301-A304 PolarHBondContact O-N 3.08Å; A304-L307 PolarHBondContact O-N 2.92Å; A304-I308 WeakPolarHBondContact O-CG2 3.36Å; A304-I308 PolarHBondContact O-N 3.47Å; A304-Y614 HydrophobicContact CB-CD2 3.82Å; A304-Y614 HydrophobicContact CB-CE2 3.85Å; A304-Y614 WeakPolarHBondContact O-CD2 3.22Å; A304-I617 HydrophobicContact CB-CG2 3.85Å; A304-T618 HydrophobicContact CB-CG2 3.68Å
305	N	96	Very high	93.7	Very high	19 Å²	19	30.5 Å²	30.5	10%	0.102	17%	0.174	C	C	.	.	H	α-helix	trans	-63.5	-41.1	178.9	-75.5	-52.7	0	0	0	112.2	L301 K302 I308 A309 L319	L301-N305 WeakPolarHBondContact O-CB 3.08Å; L301-N305 VanDerWaalsContact O-CG 3.29Å; L301-N305 PolarHBondContact O-N 3.27Å; L301-N305 PolarHBondContact O-ND2 3.21Å; K302-N305 PolarHBondContact O-N 3.1Å; N305-I308 WeakPolarHBondContact O-CG2 2.94Å; N305-A309 WeakPolarHBondContact O-CB 3.32Å; N305-A309 PolarHBondContact O-N 3.29Å; N305-A309 VanDerWaalsContact O-N 3.09Å; N305-L319 PolarHBondContact ND2-O 3.46Å; N305-L319 PolarHBondContact OD1-N 2.85Å
306	I	97	Very high	93.4	Very high	59 Å²	59	35.6 Å²	35.6	30%	0.303	20%	0.199	S	C	.	.	H	α-helix	trans	-68	-43.8	179.6	-71.6	171.2	0	0	0	110.2	K302 A303 A309 N310 E649 P651	K302-I306 HydrophobicContact CD-CD1 4.41Å; K302-I306 HydrophobicContact CG-CD1 3.74Å; K302-I306 WeakPolarHBondContact O-CB 3.31Å; K302-I306 VanDerWaalsContact O-CG1 3.31Å; K302-I306 WeakPolarHBondContact O-CG1 3.35Å; K302-I306 PolarHBondContact O-N 2.91Å; A303-I306 PolarHBondContact O-N 3.15Å; I306-A309 PolarHBondContact O-N 3.32Å; I306-N310 PolarHBondContact O-ND2 2.66Å; I306-N310 VanDerWaalsContact O-ND2 3.14Å; I306-E649 WeakPolarHBondContact CG2-O 3.02Å; I306-P651 HydrophobicContact CD1-CB 3.68Å; I306-P651 HydrophobicContact CD1-CG 3.92Å
307	L	97.3	Very high	93	Very high	1 Å²	1	37 Å²	37	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-56.8	-55.5	176.4	-178.3	65.9	0	0	0	110.2	A303 A304 A309 N310 R610 A613 I617 F646 E649 L650	A303-L307 WeakPolarHBondContact O-CB 3.41Å; A303-L307 PolarHBondContact O-N 3.1Å; A304-L307 PolarHBondContact O-N 2.92Å; L307-A309 VanDerWaalsContact C-N 3.25Å; L307-A309 PolarHBondContact O-N 3.05Å; L307-N310 WeakPolarHBondContact O-CB 3.4Å; L307-N310 PolarHBondContact O-N 3.22Å; L307-N310 VanDerWaalsContact O-N 3.16Å; L307-N310 PolarHBondContact O-ND2 3.18Å; L307-R610 HydrophobicContact CD1-CG 4.09Å; L307-R610 HydrophobicContact CD2-CG 4.48Å; L307-R610 HydrophobicContact CG-CG 3.92Å; L307-R610 VanDerWaalsContact O-CD 3.28Å; L307-R610 WeakPolarHBondContact O-CD 3.35Å; L307-A613 HydrophobicContact CD2-CB 3.84Å; L307-I617 HydrophobicContact CD2-CD1 3.5Å; L307-I617 VanDerWaalsContact CD2-CD1 3.5Å; L307-F646 HydrophobicContact CD1-CB 3.86Å; L307-F646 HydrophobicContact CD1-CD1 4.07Å; L307-F646 HydrophobicContact CD1-CG 4.25Å; L307-E649 HydrophobicContact CD1-CB 3.85Å; L307-E649 VanDerWaalsContact CD1-OE2 3.27Å; L307-E649 WeakPolarHBondContact CD1-OE2 3.45Å; L307-L650 HydrophobicContact CB-CD2 3.89Å
308	I	95.6	Very high	92.7	Very high	6 Å²	6	44.9 Å²	44.9	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-69.3	-23.1	-172.3	-159	60.1	0	0	0	113.1	D261 A304 N305 N310 N311 H313 R611 Y614	D261-I308 HydrophobicContact CB-CD1 4.12Å; D261-I308 HydrophobicContact CB-CG1 3.76Å; A304-I308 WeakPolarHBondContact O-CG2 3.36Å; A304-I308 PolarHBondContact O-N 3.47Å; N305-I308 WeakPolarHBondContact O-CG2 2.94Å; I308-N310 PolarHBondContact O-N 2.91Å; I308-N310 VanDerWaalsContact O-N 3.12Å; I308-N311 WeakPolarHBondContact O-CB 3.46Å; I308-N311 PolarHBondContact O-N 3.23Å; I308-H313 PolarHBondContact O-NE2 3.04Å; I308-R611 HydrophobicContact CD1-CG 4.03Å; I308-Y614 HydrophobicContact CB-CD2 3.79Å; I308-Y614 HydrophobicContact CB-CE2 4.27Å; I308-Y614 HydrophobicContact CB-CG 4.23Å; I308-Y614 HydrophobicContact CD1-CG 4.2Å; I308-Y614 HydrophobicContact CG1-CD2 4.23Å; I308-Y614 HydrophobicContact CG1-CG 4.26Å; I308-Y614 HydrophobicContact CG2-CD2 4.1Å; I308-Y614 HydrophobicContact CG2-CE2 4.1Å
309	A	95.6	Very high	92.4	Very high	66 Å²	66	44.6 Å²	44.6	55%	0.545	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-14.8	174.7	0	0	0	0	0	113.9	N305 I306 L307 N311	N305-A309 WeakPolarHBondContact O-CB 3.32Å; N305-A309 PolarHBondContact O-N 3.29Å; N305-A309 VanDerWaalsContact O-N 3.09Å; I306-A309 PolarHBondContact O-N 3.32Å; L307-A309 VanDerWaalsContact C-N 3.25Å; L307-A309 PolarHBondContact O-N 3.05Å; A309-N311 VanDerWaalsContact C-N 3.28Å
310	N	96.1	Very high	92.2	Very high	84 Å²	84	48 Å²	48	45%	0.449	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-13.7	172.4	-63.3	-74.9	0	0	0	113.2	I306 L307 I308	I306-N310 PolarHBondContact O-ND2 2.66Å; I306-N310 VanDerWaalsContact O-ND2 3.14Å; L307-N310 WeakPolarHBondContact O-CB 3.4Å; L307-N310 PolarHBondContact O-N 3.22Å; L307-N310 VanDerWaalsContact O-N 3.16Å; L307-N310 PolarHBondContact O-ND2 3.18Å; I308-N310 PolarHBondContact O-N 2.91Å; I308-N310 VanDerWaalsContact O-N 3.12Å
311	N	93.9	Very high	91.9	Very high	7 Å²	7	49.1 Å²	49.1	4%	0.037	25%	0.253	C	S	.	.	S	Bend	trans	-81	154.8	170.8	-82.6	18.8	0	0	0	111.1	I308 A309 H313 D607 R610	I308-N311 WeakPolarHBondContact O-CB 3.46Å; I308-N311 PolarHBondContact O-N 3.23Å; A309-N311 VanDerWaalsContact C-N 3.28Å; N311-H313 PolarHBondContact O-CD2 3.16Å; N311-H313 PolarHBondContact O-N 2.81Å; N311-H313 PolarHBondContact O-NE2 3.2Å; N311-D607 PolarHBondContact ND2-O 3.38Å; N311-D607 PolarHBondContact OD1-OD1 3.14Å; N311-R610 WeakPolarHBondContact OD1-CB 3.44Å; N311-R610 WeakPolarHBondContact OD1-CD 3.31Å; N311-R610 PolarHBondContact OD1-NH1 3.17Å
312	P	90.6	Very high	91.7	Very high	93 Å²	93	56.6 Å²	56.6	60%	0.604	29%	0.287	S	S	*	.			trans	-66.7	131.1	166.3	28.6	-33	0	0	0	110.8	D607	P312-D607 WeakPolarHBondContact CD-OD2 3.38Å; P312-D607 WeakPolarHBondContact CG-OD2 3.48Å
313	H	84.8	Confident	91.5	Very high	50 Å²	50	58.4 Å²	58.4	23%	0.231	30%	0.299	C	S	.	.			trans	-113.5	130.4	-179.7	-72.3	-74.6	0	0	0	111.5	D261 I308 N311	D261-H313 IonicContact OD1-CE1 3.16Å; D261-H313 PolarHBondContact OD1-CE1 2.81Å; D261-H313 IonicContact OD1-ND1 3.31Å; D261-H313 IonicContact OD2-CE1 3.32Å; I308-H313 PolarHBondContact O-NE2 3.04Å; N311-H313 PolarHBondContact O-CD2 3.16Å; N311-H313 PolarHBondContact O-N 2.81Å; N311-H313 PolarHBondContact O-NE2 3.2Å
314	V	80.8	Confident	91.2	Very high	96 Å²	96	61.2 Å²	61.2	58%	0.582	33%	0.328	S	S	*	.	S	Bend	trans	-89.5	-35.7	166.2	-176.9	0	0	0	0	110.2	V276	V276-V314 HydrophobicContact CG1-CG1 4.46Å; V276-V314 HydrophobicContact CG2-CB 4.15Å; V276-V314 HydrophobicContact CG2-CG1 3.84Å; V276-V314 HydrophobicContact CG2-CG2 3.98Å
315	F	81.9	Confident	91.1	Very high	25 Å²	25	66.4 Å²	66.4	11%	0.11	35%	0.348	C	S	.	.	S	Bend	trans	-113.4	100.7	178.8	-61.3	-73.1	0	0	0	110.7	L36 L38 L275 V276 K317	L36-F315 HydrophobicContact CD2-CZ 4.35Å; L38-F315 HydrophobicContact CD1-CB 3.9Å; L38-F315 HydrophobicContact CD1-CD1 4.36Å; L38-F315 HydrophobicContact CD1-CD2 3.82Å; L38-F315 HydrophobicContact CD1-CE2 4.45Å; L38-F315 HydrophobicContact CD1-CG 3.76Å; L38-F315 HydrophobicContact CD2-CB 3.78Å; L38-F315 HydrophobicContact CD2-CG 4.48Å; L275-F315 HydrophobicContact CB-CE2 3.89Å; V276-F315 HydrophobicContact CG2-CE2 4.41Å; F315-K317 PolarHBondContact O-N 2.98Å
316	E	85.6	Confident	91	Very high	138 Å²	138	67.4 Å²	67.4	65%	0.645	36%	0.362	S	S	*	.			trans	-58.5	122.8	171.8	-68.9	-64.5	152.5	0	0	110.9	K289	K289-E316 PolarHBondContact NZ-O 2.99Å
317	K	86	Confident	90.9	Very high	29 Å²	29	67.6 Å²	67.6	13%	0.126	37%	0.367	C	S	.	.			trans	-149	149.7	173.5	63.4	177.3	-179.8	-70.7	0	109.9	L38 D259 D260 D261 F315	L38-K317 HydrophobicContact CD2-CB 4.19Å; L38-K317 HydrophobicContact CD2-CD 3.71Å; L38-K317 HydrophobicContact CD2-CG 4.34Å; D259-K317 WeakPolarHBondContact OD1-CE 3.4Å; D259-K317 IonicContact OD1-NZ 2.74Å; D259-K317 PolarHBondContact OD1-NZ 3.26Å; D260-K317 IonicContact OD1-NZ 3.32Å; D260-K317 PolarHBondContact OD1-NZ 3.09Å; D261-K317 IonicContact OD1-NZ 3.9Å; D261-K317 PolarHBondContact OD1-NZ 3.36Å; D261-K317 WeakPolarHBondContact OD2-CE 3.26Å; D261-K317 IonicContact OD2-NZ 3.06Å; D261-K317 PolarHBondContact OD2-NZ 3.2Å; F315-K317 PolarHBondContact O-N 2.98Å
318	R	88.7	Confident	90.9	Very high	174 Å²	174	71.2 Å²	71.2	66%	0.657	38%	0.383	S	S	*	.			trans	-137.5	119.6	174.4	-166.4	175.7	-177.4	178.8	2.3	111.4	E291	E291-R318 WeakPolarHBondContact CB-O 3.31Å; E291-R318 PolarHBondContact OE1-N 3.08Å; E291-R318 VanDerWaalsContact OE1-N 3.15Å
319	L	90.7	Very high	91	Very high	8 Å²	8	71 Å²	71	4%	0.042	38%	0.382	C	S	.	.			trans	-72.4	138.1	178.7	-72.5	175.1	0	0	0	111.2	A41 E291 N293 L301 N305 Y614	A41-L319 HydrophobicContact CB-CD1 4.25Å; E291-L319 WeakPolarHBondContact O-CA 3.27Å; E291-L319 WeakPolarHBondContact O-CD2 3.48Å; N293-L319 HydrophobicContact CB-CD2 4.48Å; L301-L319 HydrophobicContact CD2-CB 4.34Å; L301-L319 HydrophobicContact CD2-CD1 4.27Å; N305-L319 PolarHBondContact ND2-O 3.46Å; N305-L319 PolarHBondContact OD1-N 2.85Å; L319-Y614 VanDerWaalsContact CD1-OH 3.25Å; L319-Y614 WeakPolarHBondContact CD1-OH 3.41Å
320	F	92.7	Very high	91.1	Very high	103 Å²	103	71 Å²	71	45%	0.452	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	158.1	169.5	71.2	-87.6	0	0	0	110.8	E291 Q292 N293	E291-F320 HydrophobicContact CB-CD1 4.18Å; E291-F320 HydrophobicContact CB-CE1 3.98Å; E291-F320 PolarHBondContact O-N 2.95Å; Q292-F320 CarbonylContact C-O 3.59Å; Q292-F320 WeakPolarHBondContact CA-O 3.37Å; Q292-F320 HydrophobicContact CB-CE1 4.24Å; Q292-F320 HydrophobicContact CB-CE2 4.06Å; Q292-F320 HydrophobicContact CB-CZ 3.78Å; Q292-F320 HydrophobicContact CG-CE2 3.9Å; Q292-F320 HydrophobicContact CG-CZ 4.13Å; N293-F320 PolarHBondContact N-O 3.09Å
321	S	90.6	Very high	91.1	Very high	23 Å²	23	67 Å²	67	16%	0.161	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	146.7	179.3	175.1	0	0	0	0	110.3	N293 S296 L323	N293-S321 WeakPolarHBondContact O-CB 3.46Å; N293-S321 PolarHBondContact O-OG 3.37Å; S296-S321 WeakPolarHBondContact O-CB 3.38Å; S296-S321 PolarHBondContact O-OG 3.35Å; S321-L323 VanDerWaalsContact C-N 3.32Å; S321-L323 VanDerWaalsContact OG-CB 3.26Å; S321-L323 WeakPolarHBondContact OG-CB 3.41Å; S321-L323 WeakPolarHBondContact OG-CG 3.47Å; S321-L323 PolarHBondContact OG-N 3.24Å
322	E	91.4	Very high	91.3	Very high	159 Å²	159	67.2 Å²	67.2	74%	0.743	35%	0.35	S	S	*	.	S	Bend	trans	-88.9	-3.6	170.3	-67.8	-178.3	179.6	0	0	112.1	Q292	Q292-E322 PolarHBondContact NE2-OE1 3.46Å
323	L	91.6	Very high	91.4	Very high	87 Å²	87	64.4 Å²	64.4	46%	0.455	33%	0.332	S	S	.	.	S	Bend	trans	-65.5	159.8	170	-60.6	175.7	0	0	0	110.1	S321	S321-L323 VanDerWaalsContact C-N 3.32Å; S321-L323 VanDerWaalsContact OG-CB 3.26Å; S321-L323 WeakPolarHBondContact OG-CB 3.41Å; S321-L323 WeakPolarHBondContact OG-CG 3.47Å; S321-L323 PolarHBondContact OG-N 3.24Å
324	G	91.8	Very high	91.9	Very high	58 Å²	58	62.1 Å²	62.1	60%	0.598	32%	0.322	S	S	*	.			trans	-54.9	155.3	175.1	0	0	0	0	0	112.5	S297 G298 G326	S297-G324 WeakPolarHBondContact CA-O 3.32Å; S297-G324 WeakPolarHBondContact CB-O 3.21Å; G298-G324 PolarHBondContact N-O 2.94Å; G298-G324 VanDerWaalsContact N-O 3.16Å; G324-G326 VanDerWaalsContact C-N 3.28Å; G324-G326 PolarHBondContact O-N 3.39Å
325	Y	94.9	Very high	92.5	Very high	110 Å²	110	61.6 Å²	61.6	43%	0.431	32%	0.316	S	S	.	.			trans	-60.2	-36.9	-176.4	-161.3	-111.7	0	0	0	112.3	S297 G298 R299 K302 D654	S297-Y325 WeakPolarHBondContact CB-O 3.47Å; S297-Y325 PolarHBondContact OG-O 3.39Å; G298-Y325 PolarHBondContact N-O 3.31Å; R299-Y325 WeakPolarHBondContact CA-O 3.17Å; R299-Y325 HydrophobicContact CB-CD1 3.99Å; R299-Y325 HydrophobicContact CB-CE1 3.91Å; R299-Y325 HydrophobicContact CB-CG 4.36Å; R299-Y325 WeakPolarHBondContact CB-O 3.26Å; R299-Y325 HydrophobicContact CG-CE1 4.19Å; R299-Y325 PolarHBondContact N-O 3.13Å; K302-Y325 WeakPolarHBondContact CD-OH 3.44Å; K302-Y325 PolarHBondContact NZ-OH 3.5Å; Y325-D654 PolarHBondContact OH-OD2 3.01Å
326	G	93.9	Very high	93.1	Very high	39 Å²	39	63.6 Å²	63.6	40%	0.402	33%	0.328	S	S	.	.			trans	94.4	178.2	172	0	0	0	0	0	114.6	R299 G324	R299-G326 PolarHBondContact NH1-O 2.89Å; G324-G326 VanDerWaalsContact C-N 3.28Å; G324-G326 PolarHBondContact O-N 3.39Å
327	T	94.7	Very high	93.3	Very high	64 Å²	64	59.5 Å²	59.5	39%	0.393	31%	0.309	S	S	.	.			trans	-81.3	158.8	-178.2	56.5	0	0	0	0	112.3	R299 E623	R299-T327 WeakPolarHBondContact CD-O 3.34Å; T327-E623 WeakPolarHBondContact OG1-CG 3.4Å
328	E	96.7	Very high	93.4	Very high	76 Å²	76	62.5 Å²	62.5	36%	0.355	32%	0.323	S	S	.	.			trans	-63.9	148.8	179.6	-68.5	-172.4	175.3	0	0	112.6	R299 K330 I656	R299-E328 VanDerWaalsContact NH1-N 3.11Å; R299-E328 IonicContact NH2-OE1 2.82Å; R299-E328 PolarHBondContact NH2-OE1 3.48Å; E328-K330 PolarHBondContact O-N 3.07Å; E328-I656 HydrophobicContact CB-CD1 3.63Å; E328-I656 HydrophobicContact CB-CG1 3.7Å; E328-I656 HydrophobicContact CG-CD1 4.33Å; E328-I656 HydrophobicContact CG-CG1 4.37Å; E328-I656 WeakPolarHBondContact OE2-CD1 3.47Å; E328-I656 WeakPolarHBondContact OE2-CG1 3.34Å
329	L	97.6	Very high	93.8	Very high	1 Å²	1	57 Å²	57	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	115.1	178.2	-56.2	176.3	0	0	0	107.9	R299 I300 A303 L624 F626 D654 L655 I656	R299-L329 HydrophobicContact CG-CG 4.47Å; I300-L329 HydrophobicContact CG1-CD2 4.07Å; A303-L329 HydrophobicContact CB-CD1 3.39Å; L329-L624 HydrophobicContact CD2-CB 3.82Å; L329-L624 HydrophobicContact CD2-CD2 4.23Å; L329-L624 HydrophobicContact CD2-CG 4.38Å; L329-F626 HydrophobicContact CB-CE2 4.26Å; L329-F626 HydrophobicContact CD1-CE2 4.5Å; L329-D654 PolarHBondContact N-O 3.45Å; L329-L655 HydrophobicContact CB-CD1 4.3Å; L329-L655 HydrophobicContact CB-CG 4.34Å; L329-L655 HydrophobicContact CD1-CD1 3.99Å; L329-L655 CarbonylContact O-C 3.53Å; L329-L655 WeakPolarHBondContact O-CA 3.47Å; L329-I656 PolarHBondContact O-N 3.39Å
330	K	97.6	Very high	94.1	Very high	68 Å²	68	56.6 Å²	56.6	30%	0.296	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	137.6	-177.5	-64.8	173.8	-173.7	166.8	0	110	E328 L332 L624 T625 F626	E328-K330 PolarHBondContact O-N 3.07Å; K330-L332 HydrophobicContact CB-CD2 4.33Å; K330-L624 PolarHBondContact N-O 3.36Å; K330-T625 HydrophobicContact CB-CG2 4Å; K330-T625 CarbonylContact O-C 3.53Å; K330-T625 WeakPolarHBondContact O-CA 3.39Å; K330-F626 PolarHBondContact O-N 2.83Å
331	V	97.5	Very high	94.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	106.8	169.1	-173.2	0	0	0	0	107.7	F626 L628 L647 L655 I656 W657 E658	V331-F626 WeakPolarHBondContact CA-O 3.34Å; V331-F626 HydrophobicContact CG1-CB 4.45Å; V331-F626 HydrophobicContact CG2-CB 4.29Å; V331-F626 HydrophobicContact CG2-CD2 4.2Å; V331-L628 HydrophobicContact CG1-CD2 3.45Å; V331-L628 VanDerWaalsContact CG1-CD2 3.45Å; V331-L647 HydrophobicContact CG1-CD1 3.99Å; V331-L647 HydrophobicContact CG2-CD2 4.21Å; V331-L655 HydrophobicContact CG2-CD2 3.85Å; V331-L655 HydrophobicContact CG2-CG 4.21Å; V331-I656 PolarHBondContact N-O 3.48Å; V331-W657 HydrophobicContact CB-CD2 4.11Å; V331-W657 HydrophobicContact CB-CE3 4.06Å; V331-W657 HydrophobicContact CB-CG 4.49Å; V331-W657 HydrophobicContact CB-CZ3 4.5Å; V331-W657 HydrophobicContact CG1-CD2 4.14Å; V331-W657 HydrophobicContact CG1-CE3 3.62Å; V331-W657 HydrophobicContact CG1-CH2 4.17Å; V331-W657 HydrophobicContact CG1-CZ3 3.64Å; V331-W657 HydrophobicContact CG2-CD2 4.39Å; V331-E658 PolarHBondContact O-N 3.11Å
332	L	96.5	Very high	94.3	Very high	10 Å²	10	55.7 Å²	55.7	5%	0.052	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	130	-178.6	-48.6	180	0	0	0	110.2	K330 R343 E347 T625 F626 T627 L628 E658	K330-L332 HydrophobicContact CB-CD2 4.33Å; L332-R343 HydrophobicContact CD1-CG 4.24Å; L332-E347 HydrophobicContact CD1-CG 4Å; L332-T625 HydrophobicContact CD1-CG2 3.72Å; L332-T625 HydrophobicContact CG-CG2 3.83Å; L332-F626 PolarHBondContact N-O 3.47Å; L332-T627 HydrophobicContact CB-CG2 4.11Å; L332-T627 HydrophobicContact CD1-CG2 4.38Å; L332-T627 VanDerWaalsContact O-CA 3.3Å; L332-T627 WeakPolarHBondContact O-CA 3.43Å; L332-L628 PolarHBondContact O-N 2.95Å; L332-L628 VanDerWaalsContact O-N 3.1Å; L332-E658 HydrophobicContact CD2-CB 4.16Å; L332-E658 WeakPolarHBondContact CD2-OE2 3.34Å
333	S	94.6	Very high	94.5	Very high	35 Å²	35	51.8 Å²	51.8	25%	0.245	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.6	175.4	-61.5	0	0	0	0	110.4
334	A	95.1	Very high	94.8	Very high	2 Å²	2	47.7 Å²	47.7	2%	0.017	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	154	175.1	0	0	0	0	0	111.2	H339 E340 L628 C629 K630	A334-H339 WeakPolarHBondContact CA-ND1 3.43Å; A334-H339 HydrophobicContact CB-CB 4.39Å; A334-E340 VanDerWaalsContact CB-CA 3.43Å; A334-E340 HydrophobicContact CB-CB 3.69Å; A334-E340 HydrophobicContact CB-CG 4.43Å; A334-L628 PolarHBondContact N-O 3.43Å; A334-C629 CarbonylContact O-C 3.52Å; A334-C629 WeakPolarHBondContact O-CA 3.24Å; A334-K630 PolarHBondContact O-N 3.44Å
335	N	93.7	Very high	94.9	Very high	85 Å²	85	45 Å²	45	46%	0.455	23%	0.226	S	C	.	.	S	Bend	trans	-71.3	-40	179.3	-65.6	-29	0	0	0	112	H339 E631	N335-H339 HydrophobicContact CB-CB 4.49Å; N335-H339 PolarHBondContact N-ND1 2.7Å; N335-H339 VanDerWaalsContact N-ND1 3.16Å; N335-E631 PolarHBondContact O-N 2.87Å
336	N	92.4	Very high	95	Very high	66 Å²	66	41.5 Å²	41.5	35%	0.353	22%	0.224	S	C	.	.	S	Bend	trans	-152.5	177.4	179.9	61.1	36.4	0	0	0	112.2	E338 H339 E340 C629 E631	N336-E338 VanDerWaalsContact C-N 3.29Å; N336-E338 PolarHBondContact O-N 3.26Å; N336-E338 PolarHBondContact OD1-N 3.48Å; N336-H339 PolarHBondContact O-N 3.48Å; N336-H339 VanDerWaalsContact O-N 3.16Å; N336-H339 WeakPolarHBondContact OD1-CB 3.35Å; N336-H339 PolarHBondContact OD1-N 2.81Å; N336-E340 PolarHBondContact O-N 2.87Å; N336-C629 PolarHBondContact O-SG 2.95Å; N336-E631 VanDerWaalsContact CA-O 3.24Å; N336-E631 WeakPolarHBondContact CA-O 3.15Å
337	E	90.3	Very high	95.1	Very high	53 Å²	53	41.8 Å²	41.8	25%	0.248	22%	0.215	C	C	.	.	H	α-helix	trans	-59	-33.3	-177.8	61.4	-84.1	-172.3	0	0	114.3	A341 R632 R633	E337-A341 PolarHBondContact O-N 2.64Å; E337-R632 WeakPolarHBondContact OE2-CA 3.24Å; E337-R633 PolarHBondContact OE2-N 3.1Å
338	E	89.3	Confident	95.2	Very high	91 Å²	91	38.8 Å²	38.8	43%	0.425	20%	0.196	S	C	.	.	H	α-helix	trans	-72.5	-43.6	175.1	-67.4	-153.7	150.4	0	0	111.3	N336 E340 A341 E342 V374 K377 F378	N336-E338 VanDerWaalsContact C-N 3.29Å; N336-E338 PolarHBondContact O-N 3.26Å; N336-E338 PolarHBondContact OD1-N 3.48Å; E338-E340 VanDerWaalsContact C-N 3.29Å; E338-E340 PolarHBondContact O-N 3.48Å; E338-A341 PolarHBondContact O-N 2.87Å; E338-E342 WeakPolarHBondContact O-CB 3.25Å; E338-E342 PolarHBondContact O-N 3.43Å; E338-V374 HydrophobicContact CB-CG2 4.5Å; E338-V374 HydrophobicContact CG-CG2 4.15Å; E338-K377 IonicContact OE1-NZ 2.87Å; E338-K377 PolarHBondContact OE1-NZ 3.34Å; E338-K377 IonicContact OE2-NZ 3.98Å; E338-F378 HydrophobicContact CB-CE2 4.02Å; E338-F378 HydrophobicContact CB-CZ 4.17Å; E338-F378 HydrophobicContact CG-CE2 4.5Å; E338-F378 VanDerWaalsContact O-CE2 3.24Å; E338-F378 WeakPolarHBondContact O-CE2 3.29Å; E338-F378 WeakPolarHBondContact O-CZ 3.42Å
339	H	95.7	Very high	95.2	Very high	58 Å²	58	37.9 Å²	37.9	27%	0.269	19%	0.193	S	C	.	.	H	α-helix	trans	-66	-31.8	177.4	-173.9	-108	0	0	0	112	A334 N335 N336 E342 R343	A334-H339 WeakPolarHBondContact CA-ND1 3.43Å; A334-H339 HydrophobicContact CB-CB 4.39Å; N335-H339 HydrophobicContact CB-CB 4.49Å; N335-H339 PolarHBondContact N-ND1 2.7Å; N335-H339 VanDerWaalsContact N-ND1 3.16Å; N336-H339 PolarHBondContact O-N 3.48Å; N336-H339 VanDerWaalsContact O-N 3.16Å; N336-H339 WeakPolarHBondContact OD1-CB 3.35Å; N336-H339 PolarHBondContact OD1-N 2.81Å; H339-E342 IonicContact CD2-OE2 3.14Å; H339-R343 WeakPolarHBondContact O-CB 3.43Å; H339-R343 PolarHBondContact O-N 3.31Å
340	E	96.6	Very high	95.1	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-60.9	-51.4	172.5	-177.3	-177	-146.3	0	0	110.7	A334 N336 E338 E342 R343 V344 F375 G589 T627 R632	A334-E340 VanDerWaalsContact CB-CA 3.43Å; A334-E340 HydrophobicContact CB-CB 3.69Å; A334-E340 HydrophobicContact CB-CG 4.43Å; N336-E340 PolarHBondContact O-N 2.87Å; E338-E340 VanDerWaalsContact C-N 3.29Å; E338-E340 PolarHBondContact O-N 3.48Å; E340-E342 PolarHBondContact O-N 3.31Å; E340-R343 PolarHBondContact O-N 3.2Å; E340-V344 WeakPolarHBondContact O-CG2 3.37Å; E340-V344 PolarHBondContact O-N 3.39Å; E340-F375 HydrophobicContact CG-CZ 4.11Å; E340-G589 PolarHBondContact OE1-N 3.48Å; E340-T627 WeakPolarHBondContact CG-OG1 3.45Å; E340-T627 WeakPolarHBondContact OE1-CB 3.28Å; E340-T627 PolarHBondContact OE1-OG1 3.28Å; E340-R632 IonicContact OE1-NH2 3.26Å; E340-R632 IonicContact OE2-CZ 2.67Å; E340-R632 IonicContact OE2-NH1 3.85Å; E340-R632 IonicContact OE2-NH2 2.74Å; E340-R632 PolarHBondContact OE2-NH2 2.91Å
341	A	93.3	Very high	95.1	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65	-39.3	179	0	0	0	0	0	112.8	E337 E338 T345 V374 F375 F378	E337-A341 PolarHBondContact O-N 2.64Å; E338-A341 PolarHBondContact O-N 2.87Å; A341-T345 VanDerWaalsContact O-CB 3.26Å; A341-T345 WeakPolarHBondContact O-CB 3.38Å; A341-T345 PolarHBondContact O-N 3.22Å; A341-T345 PolarHBondContact O-OG1 2.92Å; A341-V374 HydrophobicContact CB-CB 4.31Å; A341-V374 HydrophobicContact CB-CG1 4.04Å; A341-V374 HydrophobicContact CB-CG2 3.71Å; A341-F375 HydrophobicContact CB-CD1 3.88Å; A341-F375 HydrophobicContact CB-CE1 4.01Å; A341-F375 HydrophobicContact CB-CG 4.17Å; A341-F375 HydrophobicContact CB-CZ 4.38Å; A341-F378 HydrophobicContact CB-CB 4.49Å; A341-F378 HydrophobicContact CB-CD2 3.47Å; A341-F378 VanDerWaalsContact CB-CD2 3.47Å; A341-F378 HydrophobicContact CB-CE2 4.01Å; A341-F378 HydrophobicContact CB-CG 4.23Å
342	E	94.6	Very high	95	Very high	107 Å²	107	40 Å²	40	50%	0.5	21%	0.212	S	C	.	.	H	α-helix	trans	-60	-48.1	172.7	-172.7	-179.2	-159.3	0	0	111	E338 H339 E340 T345 G346 F378	E338-E342 WeakPolarHBondContact O-CB 3.25Å; E338-E342 PolarHBondContact O-N 3.43Å; H339-E342 IonicContact CD2-OE2 3.14Å; E340-E342 PolarHBondContact O-N 3.31Å; E342-T345 PolarHBondContact O-N 3.3Å; E342-G346 PolarHBondContact O-N 2.85Å; E342-F378 HydrophobicContact CB-CD1 3.96Å; E342-F378 HydrophobicContact CB-CE1 3.61Å; E342-F378 HydrophobicContact CB-CZ 3.94Å; E342-F378 HydrophobicContact CG-CD1 4.26Å; E342-F378 HydrophobicContact CG-CE1 3.91Å
343	R	96.1	Very high	95	Very high	77 Å²	77	47.4 Å²	47.4	29%	0.291	25%	0.245	S	C	.	.	H	α-helix	trans	-62.8	-48.6	-178.7	-174	68.7	175	141.2	9.6	111.5	L332 H339 E340 T345 G346 E347 E658	L332-R343 HydrophobicContact CD1-CG 4.24Å; H339-R343 WeakPolarHBondContact O-CB 3.43Å; H339-R343 PolarHBondContact O-N 3.31Å; E340-R343 PolarHBondContact O-N 3.2Å; R343-T345 VanDerWaalsContact C-N 3.35Å; R343-T345 PolarHBondContact O-N 3.31Å; R343-G346 PolarHBondContact O-N 3.17Å; R343-E347 IonicContact CZ-OE1 3.37Å; R343-E347 IonicContact NE-OE1 3.88Å; R343-E347 IonicContact NH1-OE1 2.9Å; R343-E347 PolarHBondContact NH1-OE1 3.32Å; R343-E347 IonicContact NH2-OE1 3.48Å; R343-E347 PolarHBondContact NH2-OE1 2.85Å; R343-E347 WeakPolarHBondContact O-CB 3.47Å; R343-E347 WeakPolarHBondContact O-CG 3.24Å; R343-E347 PolarHBondContact O-N 3.04Å; R343-E658 IonicContact CZ-OE1 2.95Å; R343-E658 IonicContact NE-OE2 3.76Å; R343-E658 IonicContact NH2-OE1 2.66Å; R343-E658 PolarHBondContact NH2-OE1 2.93Å; R343-E658 IonicContact NH2-OE2 3.84Å
344	V	97.6	Very high	95	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.7	-45.9	177.4	170	0	0	0	0	110.6	E340 G346 E347 L348 I364 F375 Y586 V588 T627	E340-V344 WeakPolarHBondContact O-CG2 3.37Å; E340-V344 PolarHBondContact O-N 3.39Å; V344-G346 PolarHBondContact O-N 3.11Å; V344-E347 PolarHBondContact O-N 3.14Å; V344-L348 VanDerWaalsContact O-CB 3.27Å; V344-L348 WeakPolarHBondContact O-CB 3.39Å; V344-L348 PolarHBondContact O-N 3.06Å; V344-I364 HydrophobicContact CG1-CD1 3.89Å; V344-I364 HydrophobicContact CG1-CG1 4.22Å; V344-F375 HydrophobicContact CB-CD1 4.4Å; V344-F375 HydrophobicContact CB-CE1 3.83Å; V344-F375 HydrophobicContact CG1-CD1 4.34Å; V344-F375 HydrophobicContact CG1-CE1 4.04Å; V344-F375 HydrophobicContact CG2-CE1 3.92Å; V344-Y586 HydrophobicContact CG1-CD1 3.9Å; V344-Y586 HydrophobicContact CG1-CD2 4.23Å; V344-Y586 HydrophobicContact CG1-CE1 4.36Å; V344-Y586 HydrophobicContact CG1-CG 3.83Å; V344-Y586 HydrophobicContact CG2-CD1 4.22Å; V344-V588 HydrophobicContact CG2-CG1 4.14Å; V344-T627 HydrophobicContact CG2-CG2 3.59Å
345	T	95.4	Very high	95	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.006	28%	0.283	C	S	.	.	H	α-helix	trans	-61.5	-44.3	178	-59.1	0	0	0	0	111.2	A341 E342 R343 L348 I349 F378 L379 N382 I384	A341-T345 VanDerWaalsContact O-CB 3.26Å; A341-T345 WeakPolarHBondContact O-CB 3.38Å; A341-T345 PolarHBondContact O-N 3.22Å; A341-T345 PolarHBondContact O-OG1 2.92Å; E342-T345 PolarHBondContact O-N 3.3Å; R343-T345 VanDerWaalsContact C-N 3.35Å; R343-T345 PolarHBondContact O-N 3.31Å; T345-L348 PolarHBondContact O-N 2.7Å; T345-I349 HydrophobicContact CG2-CD1 4.01Å; T345-I349 VanDerWaalsContact O-CG1 3.24Å; T345-I349 WeakPolarHBondContact O-CG1 3.44Å; T345-I349 PolarHBondContact O-N 2.81Å; T345-F378 HydrophobicContact CG2-CB 4.49Å; T345-L379 HydrophobicContact CG2-CD2 4.22Å; T345-N382 HydrophobicContact CG2-CB 4.21Å; T345-I384 HydrophobicContact CG2-CD1 3.72Å
346	G	96.1	Very high	95	Very high	37 Å²	37	59.4 Å²	59.4	38%	0.381	30%	0.3	S	S	.	.	H	α-helix	trans	-63.8	-44.9	177.6	0	0	0	0	0	113.5	E342 R343 V344 I349 A350	E342-G346 PolarHBondContact O-N 2.85Å; R343-G346 PolarHBondContact O-N 3.17Å; V344-G346 PolarHBondContact O-N 3.11Å; G346-I349 PolarHBondContact O-N 2.86Å; G346-A350 WeakPolarHBondContact O-CB 3.39Å; G346-A350 PolarHBondContact O-N 3.44Å
347	E	96.3	Very high	95.1	Very high	46 Å²	46	57.1 Å²	57.1	22%	0.215	29%	0.289	C	S	.	.	H	α-helix	trans	-62.7	-41.6	174.7	-75.3	-71.9	157.6	0	0	111.3	L332 R343 V344 A350 H351 Y586	L332-E347 HydrophobicContact CD1-CG 4Å; R343-E347 IonicContact CZ-OE1 3.37Å; R343-E347 IonicContact NE-OE1 3.88Å; R343-E347 IonicContact NH1-OE1 2.9Å; R343-E347 PolarHBondContact NH1-OE1 3.32Å; R343-E347 IonicContact NH2-OE1 3.48Å; R343-E347 PolarHBondContact NH2-OE1 2.85Å; R343-E347 WeakPolarHBondContact O-CB 3.47Å; R343-E347 WeakPolarHBondContact O-CG 3.24Å; R343-E347 PolarHBondContact O-N 3.04Å; V344-E347 PolarHBondContact O-N 3.14Å; E347-A350 PolarHBondContact O-N 3.22Å; E347-H351 VanDerWaalsContact O-CB 3.24Å; E347-H351 WeakPolarHBondContact O-CB 3.49Å; E347-H351 PolarHBondContact O-N 2.93Å; E347-Y586 HydrophobicContact CB-CE1 4.29Å
348	L	96.9	Very high	95.4	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.9	-49.4	176.3	-173.3	159.8	0	0	0	110.9	V344 T345 A350 H351 H352 Y359 Y362 V569 Y586	V344-L348 VanDerWaalsContact O-CB 3.27Å; V344-L348 WeakPolarHBondContact O-CB 3.39Å; V344-L348 PolarHBondContact O-N 3.06Å; T345-L348 PolarHBondContact O-N 2.7Å; L348-A350 PolarHBondContact O-N 3.39Å; L348-H351 PolarHBondContact O-N 3.37Å; L348-H352 WeakPolarHBondContact O-CB 3.44Å; L348-H352 PolarHBondContact O-N 2.74Å; L348-Y359 HydrophobicContact CD2-CD1 3.99Å; L348-Y359 HydrophobicContact CD2-CE1 4.03Å; L348-Y362 HydrophobicContact CD1-CD1 4.16Å; L348-Y362 HydrophobicContact CD1-CG 3.94Å; L348-Y362 HydrophobicContact CD2-CD2 4.36Å; L348-Y362 HydrophobicContact CD2-CG 4.46Å; L348-Y362 HydrophobicContact CG-CD1 3.86Å; L348-Y362 HydrophobicContact CG-CD2 4.27Å; L348-Y362 HydrophobicContact CG-CE1 4.14Å; L348-Y362 HydrophobicContact CG-CG 3.89Å; L348-V569 HydrophobicContact CD1-CG1 3.93Å; L348-V569 HydrophobicContact CD1-CG2 3.76Å; L348-V569 HydrophobicContact CD2-CG2 4.2Å; L348-Y586 HydrophobicContact CB-CE2 4.29Å; L348-Y586 HydrophobicContact CD1-CE2 4.47Å; L348-Y586 PolarHBondContact N-OH 2.73Å
349	I	95.9	Very high	95.7	Very high	57 Å²	57	57 Å²	57	29%	0.292	29%	0.286	S	S	.	.	H	α-helix	trans	-58.9	-48	177	-66.8	165.6	0	0	0	110.6	T345 G346 H352 F353 N382 I384	T345-I349 HydrophobicContact CG2-CD1 4.01Å; T345-I349 VanDerWaalsContact O-CG1 3.24Å; T345-I349 WeakPolarHBondContact O-CG1 3.44Å; T345-I349 PolarHBondContact O-N 2.81Å; G346-I349 PolarHBondContact O-N 2.86Å; I349-H352 PolarHBondContact O-N 2.95Å; I349-F353 VanDerWaalsContact O-CB 3.27Å; I349-F353 WeakPolarHBondContact O-CB 3.42Å; I349-F353 PolarHBondContact O-N 3.43Å; I349-N382 HydrophobicContact CD1-CB 3.93Å; I349-I384 HydrophobicContact CD1-CD1 3.86Å; I349-I384 HydrophobicContact CG1-CD1 3.57Å; I349-I384 HydrophobicContact CG1-CG1 4.49Å
350	A	96.4	Very high	95.7	Very high	51 Å²	51	57.2 Å²	57.2	42%	0.421	29%	0.287	S	S	.	.	H	α-helix	trans	-62.3	-47.2	-178.6	0	0	0	0	0	111.3	G346 E347 L348 F353 V354	G346-A350 WeakPolarHBondContact O-CB 3.39Å; G346-A350 PolarHBondContact O-N 3.44Å; E347-A350 PolarHBondContact O-N 3.22Å; L348-A350 PolarHBondContact O-N 3.39Å; A350-F353 PolarHBondContact O-N 3.15Å; A350-V354 WeakPolarHBondContact O-CB 3.38Å; A350-V354 VanDerWaalsContact O-CG2 3.28Å; A350-V354 WeakPolarHBondContact O-CG2 3.33Å; A350-V354 PolarHBondContact O-N 3.17Å
351	H	97.1	Very high	95.6	Very high	21 Å²	21	58.8 Å²	58.8	10%	0.097	30%	0.295	C	S	.	.	H	α-helix	trans	-63	-45.1	177.1	-175.2	-64.3	0	0	0	111.3	E347 L348 F353 V354 N355 Y362 Y584 E623	E347-H351 VanDerWaalsContact O-CB 3.24Å; E347-H351 WeakPolarHBondContact O-CB 3.49Å; E347-H351 PolarHBondContact O-N 2.93Å; L348-H351 PolarHBondContact O-N 3.37Å; H351-F353 VanDerWaalsContact C-N 3.32Å; H351-F353 PolarHBondContact O-N 3.32Å; H351-V354 PolarHBondContact O-N 3.21Å; H351-N355 PolarHBondContact CD2-ND2 3.03Å; H351-N355 VanDerWaalsContact CD2-ND2 3.34Å; H351-N355 PolarHBondContact CE1-ND2 3.46Å; H351-N355 PolarHBondContact ND1-ND2 2.93Å; H351-N355 PolarHBondContact NE2-ND2 2.57Å; H351-N355 VanDerWaalsContact O-CB 3.29Å; H351-N355 WeakPolarHBondContact O-CB 2.88Å; H351-N355 PolarHBondContact O-N 2.99Å; H351-Y362 HydrophobicContact CB-CE1 4.44Å; H351-Y362 AromaticContact ND1-CE1 3.88Å; H351-Y362 AromaticContact ND1-CZ 3.7Å; H351-Y362 PolarHBondContact ND1-OH 2.94Å; H351-Y584 AromaticContact CE1-CD1 3.69Å; H351-Y584 AromaticContact CE1-CE1 3.36Å; H351-Y584 WeakPolarHBondContact CE1-CE1 3.31Å; H351-Y584 AromaticContact CE1-CE2 3.81Å; H351-Y584 AromaticContact CE1-CZ 3.44Å; H351-Y584 VanDerWaalsContact CE1-CZ 3.44Å; H351-Y584 AromaticContact NE2-CD1 3.71Å; H351-Y584 AromaticContact NE2-CE1 3.51Å; H351-E623 IonicContact CD2-OE2 3.7Å; H351-E623 IonicContact NE2-OE1 3.56Å; H351-E623 IonicContact NE2-OE2 3.63Å
352	H	95.4	Very high	95.9	Very high	41 Å²	41	58.8 Å²	58.8	19%	0.19	30%	0.295	C	S	.	.	H	α-helix	trans	-59	-46.1	178.9	169.5	70.2	0	0	0	111	L348 I349 K356 T357 Y359 Y362	L348-H352 WeakPolarHBondContact O-CB 3.44Å; L348-H352 PolarHBondContact O-N 2.74Å; I349-H352 PolarHBondContact O-N 2.95Å; H352-K356 VanDerWaalsContact O-CA 3.29Å; H352-K356 WeakPolarHBondContact O-CA 3.37Å; H352-K356 PolarHBondContact O-N 3.04Å; H352-T357 PolarHBondContact CE1-O 3.05Å; H352-T357 PolarHBondContact ND1-O 3.22Å; H352-Y359 AromaticContact CD2-CE1 3.88Å; H352-Y359 AromaticContact CD2-CZ 3.77Å; H352-Y359 AromaticContact NE2-CE2 3.9Å; H352-Y359 AromaticContact NE2-CZ 3.65Å; H352-Y362 WeakPolarHBondContact CA-OH 3.46Å; H352-Y362 HydrophobicContact CB-CE2 4.09Å; H352-Y362 PolarHBondContact N-OH 3.38Å
353	F	95.4	Very high	96	Very high	166 Å²	166	53.7 Å²	53.7	73%	0.728	27%	0.272	S	S	*	.	H	α-helix	trans	-65.8	-45.4	179.8	-177.2	-101.8	0	0	0	112.9	I349 A350 H351	I349-F353 VanDerWaalsContact O-CB 3.27Å; I349-F353 WeakPolarHBondContact O-CB 3.42Å; I349-F353 PolarHBondContact O-N 3.43Å; A350-F353 PolarHBondContact O-N 3.15Å; H351-F353 VanDerWaalsContact C-N 3.32Å; H351-F353 PolarHBondContact O-N 3.32Å
354	V	95.7	Very high	96.1	Very high	106 Å²	106	50 Å²	50	64%	0.642	26%	0.258	S	S	*	.	H	α-helix	trans	-71.7	-45.3	-177.7	172.6	0	0	0	0	111.4	A350 H351	A350-V354 WeakPolarHBondContact O-CB 3.38Å; A350-V354 VanDerWaalsContact O-CG2 3.28Å; A350-V354 WeakPolarHBondContact O-CG2 3.33Å; A350-V354 PolarHBondContact O-N 3.17Å; H351-V354 PolarHBondContact O-N 3.21Å
355	N	94.3	Very high	96.1	Very high	81 Å²	81	50.1 Å²	50.1	43%	0.433	26%	0.258	S	S	.	.	H	α-helix	trans	-91	-6.9	-173.2	-66	-39.2	0	0	0	113.7	H351 T357	H351-N355 PolarHBondContact CD2-ND2 3.03Å; H351-N355 VanDerWaalsContact CD2-ND2 3.34Å; H351-N355 PolarHBondContact CE1-ND2 3.46Å; H351-N355 PolarHBondContact ND1-ND2 2.93Å; H351-N355 PolarHBondContact NE2-ND2 2.57Å; H351-N355 VanDerWaalsContact O-CB 3.29Å; H351-N355 WeakPolarHBondContact O-CB 2.88Å; H351-N355 PolarHBondContact O-N 2.99Å; N355-T357 HydrophobicContact CB-CG2 3.99Å; N355-T357 PolarHBondContact O-N 3.16Å
356	K	94.5	Very high	96.1	Very high	187 Å²	187	50 Å²	50	81%	0.813	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	40.5	-179.1	-56.5	-176.2	-179.8	179	0	113.1	H352	H352-K356 VanDerWaalsContact O-CA 3.29Å; H352-K356 WeakPolarHBondContact O-CA 3.37Å; H352-K356 PolarHBondContact O-N 3.04Å
357	T	95.4	Very high	96	Very high	18 Å²	18	50.7 Å²	50.7	11%	0.11	25%	0.249	C	C	.	.			trans	-83.4	174.3	175.9	46.7	0	0	0	0	110.3	H352 N355 D361 Y362 Y584	H352-T357 PolarHBondContact CE1-O 3.05Å; H352-T357 PolarHBondContact ND1-O 3.22Å; N355-T357 HydrophobicContact CB-CG2 3.99Å; N355-T357 PolarHBondContact O-N 3.16Å; T357-D361 WeakPolarHBondContact CB-OD2 3.45Å; T357-Y362 PolarHBondContact OG1-OH 3.05Å; T357-Y584 HydrophobicContact CG2-CE2 3.5Å; T357-Y584 WeakPolarHBondContact CG2-OH 3.36Å
358	Q	95.8	Very high	95.5	Very high	92 Å²	92	49.2 Å²	49.2	43%	0.43	25%	0.246	S	C	.	.			trans	-96.8	154.5	176.2	-65	-169.7	-62.7	0	0	110.3	K360 D361 Y362 D567	Q358-K360 HydrophobicContact CB-CG 3.95Å; Q358-K360 PolarHBondContact O-N 3.01Å; Q358-D361 PolarHBondContact N-OD2 3.47Å; Q358-D361 VanDerWaalsContact O-CB 3.29Å; Q358-D361 WeakPolarHBondContact O-CB 3.25Å; Q358-D361 PolarHBondContact O-N 3Å; Q358-D361 VanDerWaalsContact O-N 3.09Å; Q358-Y362 WeakPolarHBondContact O-CD2 3.5Å; Q358-Y362 WeakPolarHBondContact O-CE2 3.25Å; Q358-D567 WeakPolarHBondContact CB-OD1 3.04Å
359	Y	95.8	Very high	94.6	Very high	49 Å²	49	53.2 Å²	53.2	19%	0.192	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-61.2	-32.5	173.9	-70.9	-62.7	0	0	0	112.1	L348 H352 D361 Y362 I384 P385 D567 Q568 V569	L348-Y359 HydrophobicContact CD2-CD1 3.99Å; L348-Y359 HydrophobicContact CD2-CE1 4.03Å; H352-Y359 AromaticContact CD2-CE1 3.88Å; H352-Y359 AromaticContact CD2-CZ 3.77Å; H352-Y359 AromaticContact NE2-CE2 3.9Å; H352-Y359 AromaticContact NE2-CZ 3.65Å; Y359-D361 PolarHBondContact O-N 3.41Å; Y359-Y362 PolarHBondContact O-N 3.23Å; Y359-I384 HydrophobicContact CD1-CG2 3.71Å; Y359-I384 HydrophobicContact CE1-CB 4.48Å; Y359-I384 HydrophobicContact CE1-CG1 4.13Å; Y359-I384 HydrophobicContact CE1-CG2 3.73Å; Y359-I384 HydrophobicContact CG-CG2 4.35Å; Y359-P385 HydrophobicContact CD2-CG 3.96Å; Y359-P385 HydrophobicContact CE2-CG 4.47Å; Y359-P385 HydrophobicContact CG-CG 4.41Å; Y359-D567 WeakPolarHBondContact CA-OD1 3.44Å; Y359-D567 WeakPolarHBondContact CB-OD1 3.48Å; Y359-D567 PolarHBondContact N-OD1 3.37Å; Y359-Q568 CarbonylContact O-C 3.57Å; Y359-V569 HydrophobicContact CD1-CG2 3.94Å; Y359-V569 HydrophobicContact CG-CG2 4.42Å; Y359-V569 WeakPolarHBondContact O-CA 3.44Å
360	K	94.7	Very high	93.8	Very high	64 Å²	64	55.6 Å²	55.6	28%	0.278	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-64.3	-15.1	174.3	70.3	171.8	-173	174.8	0	115.1	Q358 Y362 E565 D567 Q568	Q358-K360 HydrophobicContact CB-CG 3.95Å; Q358-K360 PolarHBondContact O-N 3.01Å; K360-Y362 PolarHBondContact O-N 3.47Å; K360-E565 IonicContact NZ-OE2 2.72Å; K360-E565 PolarHBondContact NZ-OE2 2.95Å; K360-D567 PolarHBondContact N-OD1 3.27Å; K360-Q568 VanDerWaalsContact CA-O 3.28Å; K360-Q568 WeakPolarHBondContact CA-O 3.19Å
361	D	96.1	Very high	93.4	Very high	34 Å²	34	53.5 Å²	53.5	18%	0.182	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-76	-9.3	177.2	-62.5	-30.4	0	0	0	112.7	T357 Q358 Y359 P583 Y584	T357-D361 WeakPolarHBondContact CB-OD2 3.45Å; Q358-D361 PolarHBondContact N-OD2 3.47Å; Q358-D361 VanDerWaalsContact O-CB 3.29Å; Q358-D361 WeakPolarHBondContact O-CB 3.25Å; Q358-D361 PolarHBondContact O-N 3Å; Q358-D361 VanDerWaalsContact O-N 3.09Å; Y359-D361 PolarHBondContact O-N 3.41Å; D361-P583 HydrophobicContact CB-CB 4.08Å; D361-P583 HydrophobicContact CB-CG 3.87Å; D361-P583 WeakPolarHBondContact O-CD 3.29Å; D361-Y584 HydrophobicContact CB-CD2 3.85Å; D361-Y584 HydrophobicContact CB-CE2 3.99Å; D361-Y584 PolarHBondContact O-N 3.4Å
362	Y	97.9	Very high	92.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	133.8	-174.9	-60.9	-86.7	0	0	0	112.3	L348 H351 H352 T357 Q358 Y359 K360 Q570 Y584 Y586	L348-Y362 HydrophobicContact CD1-CD1 4.16Å; L348-Y362 HydrophobicContact CD1-CG 3.94Å; L348-Y362 HydrophobicContact CD2-CD2 4.36Å; L348-Y362 HydrophobicContact CD2-CG 4.46Å; L348-Y362 HydrophobicContact CG-CD1 3.86Å; L348-Y362 HydrophobicContact CG-CD2 4.27Å; L348-Y362 HydrophobicContact CG-CE1 4.14Å; L348-Y362 HydrophobicContact CG-CG 3.89Å; H351-Y362 HydrophobicContact CB-CE1 4.44Å; H351-Y362 AromaticContact ND1-CE1 3.88Å; H351-Y362 AromaticContact ND1-CZ 3.7Å; H351-Y362 PolarHBondContact ND1-OH 2.94Å; H352-Y362 WeakPolarHBondContact CA-OH 3.46Å; H352-Y362 HydrophobicContact CB-CE2 4.09Å; H352-Y362 PolarHBondContact N-OH 3.38Å; T357-Y362 PolarHBondContact OG1-OH 3.05Å; Q358-Y362 WeakPolarHBondContact O-CD2 3.5Å; Q358-Y362 WeakPolarHBondContact O-CE2 3.25Å; Y359-Y362 PolarHBondContact O-N 3.23Å; K360-Y362 PolarHBondContact O-N 3.47Å; Y362-Q570 PolarHBondContact O-N 2.99Å; Y362-Y584 WeakPolarHBondContact CA-O 3.24Å; Y362-Y584 HydrophobicContact CD1-CD2 4.12Å; Y362-Y584 HydrophobicContact CD1-CG 4.2Å; Y362-Y584 AromaticContact CE1-CD2 3.83Å; Y362-Y584 HydrophobicContact CE1-CD2 3.83Å; Y362-Y584 AromaticContact CE1-CG 3.98Å; Y362-Y584 HydrophobicContact CE1-CG 3.98Å; Y362-Y586 HydrophobicContact CD1-CE2 4.02Å
363	A	97.4	Very high	92	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140	168.2	0	0	0	0	0	112.3	L365 Q570 F582 Y584 V585 Y586	A363-L365 HydrophobicContact CB-CD2 4.12Å; A363-Q570 CarbonylContact C-O 3.57Å; A363-Q570 VanDerWaalsContact CA-O 3.23Å; A363-Q570 WeakPolarHBondContact CA-O 3.49Å; A363-Q570 HydrophobicContact CB-CB 4.25Å; A363-F582 HydrophobicContact CB-CB 4Å; A363-F582 HydrophobicContact CB-CD1 3.88Å; A363-F582 HydrophobicContact CB-CD2 3.34Å; A363-F582 HydrophobicContact CB-CE1 4.24Å; A363-F582 HydrophobicContact CB-CE2 3.72Å; A363-F582 HydrophobicContact CB-CG 3.43Å; A363-F582 VanDerWaalsContact CB-CG 3.43Å; A363-F582 HydrophobicContact CB-CZ 4.17Å; A363-Y584 PolarHBondContact N-O 2.87Å; A363-V585 WeakPolarHBondContact O-CA 3.22Å; A363-Y586 PolarHBondContact O-N 3.48Å
364	I	97.9	Very high	91.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	113.8	170.8	-55.3	176.5	0	0	0	107.1	V344 F375 L379 V569 Q570 L571 M572 Y586 V588	V344-I364 HydrophobicContact CG1-CD1 3.89Å; V344-I364 HydrophobicContact CG1-CG1 4.22Å; I364-F375 HydrophobicContact CD1-CD1 3.97Å; I364-F375 HydrophobicContact CG2-CD1 4.07Å; I364-F375 HydrophobicContact CG2-CE1 4.16Å; I364-F375 HydrophobicContact CG2-CG 4.28Å; I364-L379 HydrophobicContact CD1-CD1 4.25Å; I364-V569 HydrophobicContact CD1-CG1 4.17Å; I364-V569 HydrophobicContact CG1-CG1 4.21Å; I364-Q570 PolarHBondContact N-O 2.98Å; I364-L571 HydrophobicContact CB-CG 4.41Å; I364-M572 PolarHBondContact O-N 3.41Å; I364-M572 VanDerWaalsContact O-N 3.11Å; I364-Y586 WeakPolarHBondContact CA-O 3.41Å; I364-V588 HydrophobicContact CG2-CG1 3.76Å; I364-V588 HydrophobicContact CG2-CG2 4.05Å
365	L	97.8	Very high	91.2	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.7	-175.5	-52.2	-174.1	0	0	0	110.3	A363 M572 L574 V585 Y586 M587 V588 R619	A363-L365 HydrophobicContact CB-CD2 4.12Å; L365-M572 WeakPolarHBondContact CA-O 3.34Å; L365-M572 HydrophobicContact CD2-CG 3.32Å; L365-M572 HydrophobicContact CD2-SD 3.99Å; L365-L574 HydrophobicContact CB-CD2 3.9Å; L365-L574 HydrophobicContact CB-CG 4.5Å; L365-L574 HydrophobicContact CD1-CD2 4.21Å; L365-V585 HydrophobicContact CD1-CG1 3.52Å; L365-V585 HydrophobicContact CG-CG1 3.81Å; L365-Y586 PolarHBondContact N-O 2.9Å; L365-M587 HydrophobicContact CB-CG 4.34Å; L365-M587 HydrophobicContact CD1-CG 4.44Å; L365-V588 WeakPolarHBondContact O-CG2 3.41Å; L365-V588 PolarHBondContact O-N 2.93Å; L365-R619 HydrophobicContact CD1-CB 4.32Å; L365-R619 HydrophobicContact CD1-CG 4.23Å
366	Y	95.6	Very high	90.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	161.3	-179.9	41.4	-100	0	0	0	111.8	G368 Q371 L571 M572 T573 L574	Y366-G368 WeakPolarHBondContact CD2-O 3.37Å; Y366-Q371 HydrophobicContact CG-CB 4.2Å; Y366-L571 HydrophobicContact CE1-CB 4.04Å; Y366-M572 VanDerWaalsContact CZ-C 3.46Å; Y366-M572 PolarHBondContact N-O 3.37Å; Y366-M572 VanDerWaalsContact N-O 3.16Å; Y366-M572 PolarHBondContact OH-N 2.87Å; Y366-T573 HydrophobicContact CD2-CG2 3.96Å; Y366-T573 HydrophobicContact CE2-CG2 3.68Å; Y366-T573 CarbonylContact O-C 3.49Å; Y366-T573 WeakPolarHBondContact O-CA 3.12Å; Y366-L574 PolarHBondContact O-N 2.77Å
367	R	93.4	Very high	90.1	Very high	50 Å²	50	41.4 Å²	41.4	19%	0.189	19%	0.191	C	C	.	.	S	Bend	trans	-73.4	-43.4	177.9	177.9	64.9	177	72	-2	112	F594 E609	R367-F594 VanDerWaalsContact CG-O 3.23Å; R367-F594 WeakPolarHBondContact CG-O 3.25Å; R367-E609 IonicContact CZ-OE1 3.95Å; R367-E609 VanDerWaalsContact CZ-OE1 3.32Å; R367-E609 IonicContact NE-OE1 2.72Å; R367-E609 PolarHBondContact NE-OE1 2.72Å; R367-E609 IonicContact NE-OE2 3.94Å; R367-E609 PolarHBondContact NE-OE2 2.85Å; R367-E609 IonicContact NH2-OE1 3.76Å; R367-E609 PolarHBondContact NH2-OE1 2.87Å
368	G	85.7	Confident	89.6	Confident	16 Å²	16	41.5 Å²	41.5	17%	0.165	19%	0.19	C	C	.	.	S	Bend	trans	-130.8	145.8	-174	0	0	0	0	0	113.1	Y366 H370 Q371	Y366-G368 WeakPolarHBondContact CD2-O 3.37Å; G368-H370 PolarHBondContact O-N 2.92Å; G368-H370 VanDerWaalsContact O-N 3.08Å; G368-Q371 WeakPolarHBondContact O-CB 3.32Å; G368-Q371 PolarHBondContact O-N 3.49Å; G368-Q371 VanDerWaalsContact O-N 3.07Å
369	N	79.4	Confident	89.1	Confident	83 Å²	83	37.1 Å²	37.1	44%	0.444	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-58.9	-23.8	-177.6	-75.1	-25.6	0	0	0	114.3	Q371 S372 T573	N369-Q371 PolarHBondContact O-N 3.01Å; N369-S372 PolarHBondContact O-N 3.36Å; N369-S372 VanDerWaalsContact O-N 3.14Å; N369-S372 PolarHBondContact O-OG 3.02Å; N369-T573 WeakPolarHBondContact OD1-CG2 3.36Å
370	H	78.8	Confident	88	Confident	107 Å²	107	40.5 Å²	40.5	50%	0.495	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-61.8	-28.8	177.8	70	-90	0	0	0	112.3	G368 S372 F594	G368-H370 PolarHBondContact O-N 2.92Å; G368-H370 VanDerWaalsContact O-N 3.08Å; H370-S372 VanDerWaalsContact C-N 3.28Å; H370-S372 PolarHBondContact O-N 3.45Å; H370-F594 AromaticContact NE2-CE2 3.78Å; H370-F594 AromaticContact NE2-CZ 3.56Å
371	Q	86.6	Confident	87.3	Confident	8 Å²	8	43.1 Å²	43.1	4%	0.037	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-67.7	-26	178.3	-62.5	174.2	-93.4	0	0	111.9	Y366 G368 N369 R373 V374 F375 F594	Y366-Q371 HydrophobicContact CG-CB 4.2Å; G368-Q371 WeakPolarHBondContact O-CB 3.32Å; G368-Q371 PolarHBondContact O-N 3.49Å; G368-Q371 VanDerWaalsContact O-N 3.07Å; N369-Q371 PolarHBondContact O-N 3.01Å; Q371-R373 VanDerWaalsContact C-N 3.28Å; Q371-R373 PolarHBondContact O-N 3.35Å; Q371-V374 WeakPolarHBondContact O-CG1 3.38Å; Q371-F375 VanDerWaalsContact O-CD2 3.27Å; Q371-F375 WeakPolarHBondContact O-CD2 3.39Å; Q371-F594 HydrophobicContact CG-CD2 4.35Å; Q371-F594 HydrophobicContact CG-CE2 3.95Å
372	S	86.6	Confident	86.9	Confident	8 Å²	8	45.3 Å²	45.3	6%	0.056	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-36.5	-176	74.6	0	0	0	0	112.8	N369 H370 V374 F375 E376	N369-S372 PolarHBondContact O-N 3.36Å; N369-S372 VanDerWaalsContact O-N 3.14Å; N369-S372 PolarHBondContact O-OG 3.02Å; H370-S372 VanDerWaalsContact C-N 3.28Å; H370-S372 PolarHBondContact O-N 3.45Å; S372-V374 VanDerWaalsContact C-N 3.27Å; S372-V374 PolarHBondContact O-N 2.85Å; S372-V374 VanDerWaalsContact O-N 3.13Å; S372-F375 WeakPolarHBondContact O-CA 3.39Å; S372-F375 WeakPolarHBondContact O-CB 3.48Å; S372-F375 PolarHBondContact O-N 3.49Å; S372-E376 WeakPolarHBondContact CB-OE1 3.46Å; S372-E376 WeakPolarHBondContact O-CG 3.29Å; S372-E376 PolarHBondContact O-N 3.36Å; S372-E376 PolarHBondContact OG-OE1 3.24Å
373	R	76.6	Confident	86.4	Confident	188 Å²	188	56.2 Å²	56.2	71%	0.709	25%	0.254	S	S	*	.	H	α-helix	trans	-54.3	-40.7	-169.1	-65.1	178.9	176.9	177.6	-0.6	113.4	Q371 E376 K377	Q371-R373 VanDerWaalsContact C-N 3.28Å; Q371-R373 PolarHBondContact O-N 3.35Å; R373-E376 WeakPolarHBondContact CA-OE1 3.45Å; R373-E376 PolarHBondContact N-OE1 3.01Å; R373-K377 PolarHBondContact O-N 3.35Å
374	V	84.9	Confident	86	Confident	24 Å²	24	56.4 Å²	56.4	15%	0.145	26%	0.255	C	S	.	.	H	α-helix	trans	-73.8	-38.4	-179.6	66	0	0	0	0	111.1	E338 A341 Q371 S372 K377 F378	E338-V374 HydrophobicContact CB-CG2 4.5Å; E338-V374 HydrophobicContact CG-CG2 4.15Å; A341-V374 HydrophobicContact CB-CB 4.31Å; A341-V374 HydrophobicContact CB-CG1 4.04Å; A341-V374 HydrophobicContact CB-CG2 3.71Å; Q371-V374 WeakPolarHBondContact O-CG1 3.38Å; S372-V374 VanDerWaalsContact C-N 3.27Å; S372-V374 PolarHBondContact O-N 2.85Å; S372-V374 VanDerWaalsContact O-N 3.13Å; V374-K377 WeakPolarHBondContact O-CB 3.49Å; V374-K377 PolarHBondContact O-N 2.98Å; V374-F378 HydrophobicContact CG2-CD2 4.19Å; V374-F378 HydrophobicContact CG2-CE2 4.05Å; V374-F378 WeakPolarHBondContact O-CD2 3.49Å; V374-F378 PolarHBondContact O-N 3.41Å
375	F	89.9	Confident	85.6	Confident	1 Å²	1	59 Å²	59	0%	0.004	27%	0.272	C	S	.	.	H	α-helix	trans	-65.8	-42.5	174	-67.2	-85.4	0	0	0	111.8	E340 A341 V344 I364 Q371 S372 K377 F378 L379 L571 V588	E340-F375 HydrophobicContact CG-CZ 4.11Å; A341-F375 HydrophobicContact CB-CD1 3.88Å; A341-F375 HydrophobicContact CB-CE1 4.01Å; A341-F375 HydrophobicContact CB-CG 4.17Å; A341-F375 HydrophobicContact CB-CZ 4.38Å; V344-F375 HydrophobicContact CB-CD1 4.4Å; V344-F375 HydrophobicContact CB-CE1 3.83Å; V344-F375 HydrophobicContact CG1-CD1 4.34Å; V344-F375 HydrophobicContact CG1-CE1 4.04Å; V344-F375 HydrophobicContact CG2-CE1 3.92Å; I364-F375 HydrophobicContact CD1-CD1 3.97Å; I364-F375 HydrophobicContact CG2-CD1 4.07Å; I364-F375 HydrophobicContact CG2-CE1 4.16Å; I364-F375 HydrophobicContact CG2-CG 4.28Å; Q371-F375 VanDerWaalsContact O-CD2 3.27Å; Q371-F375 WeakPolarHBondContact O-CD2 3.39Å; S372-F375 WeakPolarHBondContact O-CA 3.39Å; S372-F375 WeakPolarHBondContact O-CB 3.48Å; S372-F375 PolarHBondContact O-N 3.49Å; F375-K377 VanDerWaalsContact C-N 3.29Å; F375-K377 PolarHBondContact O-N 3.19Å; F375-F378 PolarHBondContact O-N 2.7Å; F375-L379 WeakPolarHBondContact O-CB 3.38Å; F375-L379 VanDerWaalsContact O-CG 3.24Å; F375-L379 WeakPolarHBondContact O-CG 3.44Å; F375-L379 PolarHBondContact O-N 3.24Å; F375-L571 HydrophobicContact CB-CD2 3.87Å; F375-V588 HydrophobicContact CE1-CB 4.46Å; F375-V588 HydrophobicContact CE1-CG1 3.92Å; F375-V588 HydrophobicContact CE2-CB 4.2Å; F375-V588 HydrophobicContact CE2-CG1 4.46Å; F375-V588 HydrophobicContact CE2-CG2 3.69Å; F375-V588 HydrophobicContact CZ-CB 3.67Å; F375-V588 HydrophobicContact CZ-CG1 3.63Å; F375-V588 HydrophobicContact CZ-CG2 3.66Å
376	E	86.1	Confident	85.2	Confident	40 Å²	40	61.6 Å²	61.6	19%	0.187	28%	0.282	C	S	.	.	H	α-helix	trans	-54	-47.2	174.3	-66.6	172.6	-114.7	0	0	111.2	S372 R373 F378 L379 M380 Y386 I388 L571	S372-E376 WeakPolarHBondContact CB-OE1 3.46Å; S372-E376 WeakPolarHBondContact O-CG 3.29Å; S372-E376 PolarHBondContact O-N 3.36Å; S372-E376 PolarHBondContact OG-OE1 3.24Å; R373-E376 WeakPolarHBondContact CA-OE1 3.45Å; R373-E376 PolarHBondContact N-OE1 3.01Å; E376-F378 PolarHBondContact O-N 2.83Å; E376-L379 PolarHBondContact O-N 2.92Å; E376-M380 WeakPolarHBondContact O-CB 3.49Å; E376-M380 WeakPolarHBondContact O-CG 3.46Å; E376-M380 PolarHBondContact O-N 2.93Å; E376-Y386 HydrophobicContact CB-CE2 4.14Å; E376-Y386 HydrophobicContact CG-CD2 4.39Å; E376-Y386 HydrophobicContact CG-CE2 3.62Å; E376-I388 HydrophobicContact CG-CD1 3.84Å; E376-I388 HydrophobicContact CG-CG1 4.33Å; E376-I388 WeakPolarHBondContact OE1-CD1 3.49Å; E376-I388 WeakPolarHBondContact OE2-CD1 3.34Å; E376-L571 HydrophobicContact CG-CD2 4.06Å
377	K	79.8	Confident	84.7	Confident	86 Å²	86	63.3 Å²	63.3	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-54.5	-51.7	177.2	175.6	-176.2	169.5	-175.4	0	111.6	E338 R373 V374 F375 Q381	E338-K377 IonicContact OE1-NZ 2.87Å; E338-K377 PolarHBondContact OE1-NZ 3.34Å; E338-K377 IonicContact OE2-NZ 3.98Å; R373-K377 PolarHBondContact O-N 3.35Å; V374-K377 WeakPolarHBondContact O-CB 3.49Å; V374-K377 PolarHBondContact O-N 2.98Å; F375-K377 VanDerWaalsContact C-N 3.29Å; F375-K377 PolarHBondContact O-N 3.19Å; K377-Q381 WeakPolarHBondContact O-CB 3.23Å; K377-Q381 VanDerWaalsContact O-CG 3.23Å; K377-Q381 WeakPolarHBondContact O-CG 3.46Å; K377-Q381 PolarHBondContact O-N 3.24Å
378	F	84.2	Confident	84.1	Confident	20 Å²	20	63.3 Å²	63.3	9%	0.088	29%	0.293	C	S	.	.	H	α-helix	trans	-72.8	-36.2	-176.8	-79.6	-82.6	0	0	0	113.5	E338 A341 E342 T345 V374 F375 E376 Q381 N382	E338-F378 HydrophobicContact CB-CE2 4.02Å; E338-F378 HydrophobicContact CB-CZ 4.17Å; E338-F378 HydrophobicContact CG-CE2 4.5Å; E338-F378 VanDerWaalsContact O-CE2 3.24Å; E338-F378 WeakPolarHBondContact O-CE2 3.29Å; E338-F378 WeakPolarHBondContact O-CZ 3.42Å; A341-F378 HydrophobicContact CB-CB 4.49Å; A341-F378 HydrophobicContact CB-CD2 3.47Å; A341-F378 VanDerWaalsContact CB-CD2 3.47Å; A341-F378 HydrophobicContact CB-CE2 4.01Å; A341-F378 HydrophobicContact CB-CG 4.23Å; E342-F378 HydrophobicContact CB-CD1 3.96Å; E342-F378 HydrophobicContact CB-CE1 3.61Å; E342-F378 HydrophobicContact CB-CZ 3.94Å; E342-F378 HydrophobicContact CG-CD1 4.26Å; E342-F378 HydrophobicContact CG-CE1 3.91Å; T345-F378 HydrophobicContact CG2-CB 4.49Å; V374-F378 HydrophobicContact CG2-CD2 4.19Å; V374-F378 HydrophobicContact CG2-CE2 4.05Å; V374-F378 WeakPolarHBondContact O-CD2 3.49Å; V374-F378 PolarHBondContact O-N 3.41Å; F375-F378 PolarHBondContact O-N 2.7Å; E376-F378 PolarHBondContact O-N 2.83Å; F378-Q381 PolarHBondContact O-N 3.15Å; F378-N382 PolarHBondContact O-N 2.69Å; F378-N382 VanDerWaalsContact O-N 3.11Å; F378-N382 PolarHBondContact O-ND2 2.96Å
379	L	85.4	Confident	83.6	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.5	-45	173.9	-67.3	170.1	0	0	0	110.8	T345 I364 F375 E376 N382 R383 I384 Y386 L571	T345-L379 HydrophobicContact CG2-CD2 4.22Å; I364-L379 HydrophobicContact CD1-CD1 4.25Å; F375-L379 WeakPolarHBondContact O-CB 3.38Å; F375-L379 VanDerWaalsContact O-CG 3.24Å; F375-L379 WeakPolarHBondContact O-CG 3.44Å; F375-L379 PolarHBondContact O-N 3.24Å; E376-L379 PolarHBondContact O-N 2.92Å; L379-N382 CarbonylContact O-C 3.46Å; L379-N382 PolarHBondContact O-N 3.2Å; L379-R383 PolarHBondContact O-N 3.34Å; L379-R383 VanDerWaalsContact O-N 3.12Å; L379-I384 HydrophobicContact CB-CB 4.33Å; L379-I384 HydrophobicContact CD2-CB 4.04Å; L379-I384 HydrophobicContact CD2-CD1 3.87Å; L379-I384 HydrophobicContact CD2-CG2 3.88Å; L379-I384 PolarHBondContact O-N 2.85Å; L379-Y386 HydrophobicContact CB-CD1 4.01Å; L379-Y386 HydrophobicContact CB-CG 4.47Å; L379-Y386 HydrophobicContact CD1-CD1 4.48Å; L379-Y386 HydrophobicContact CD1-CG 4.13Å; L379-L571 HydrophobicContact CD1-CD1 3.4Å; L379-L571 HydrophobicContact CD1-CD2 4.08Å; L379-L571 HydrophobicContact CD1-CG 4.28Å
380	M	73.3	Confident	82.7	Confident	120 Å²	120	60.9 Å²	60.9	59%	0.591	29%	0.285	S	S	*	.	H	α-helix	trans	-61.3	-46.5	175.2	-74	-178.4	66.8	0	0	112.5	E376 N382 R383 Y386	E376-M380 WeakPolarHBondContact O-CB 3.49Å; E376-M380 WeakPolarHBondContact O-CG 3.46Å; E376-M380 PolarHBondContact O-N 2.93Å; M380-N382 PolarHBondContact O-N 3.49Å; M380-R383 PolarHBondContact O-N 3.3Å; M380-Y386 HydrophobicContact CG-CD1 4.47Å; M380-Y386 HydrophobicContact CG-CE1 3.43Å; M380-Y386 VanDerWaalsContact CG-CE1 3.43Å; M380-Y386 HydrophobicContact SD-CE1 4.22Å; M380-Y386 PolarHBondContact SD-OH 3.18Å; M380-Y386 VanDerWaalsContact SD-OH 3.36Å
381	Q	80.3	Confident	81.7	Confident	119 Å²	119	57.6 Å²	57.6	56%	0.556	28%	0.28	S	S	*	.	H	α-helix	trans	-58.3	-36	178.8	-78.3	176	-6.3	0	0	112.2	K377 F378 R383	K377-Q381 WeakPolarHBondContact O-CB 3.23Å; K377-Q381 VanDerWaalsContact O-CG 3.23Å; K377-Q381 WeakPolarHBondContact O-CG 3.46Å; K377-Q381 PolarHBondContact O-N 3.24Å; F378-Q381 PolarHBondContact O-N 3.15Å; Q381-R383 VanDerWaalsContact C-N 3.32Å
382	N	87.7	Confident	80.5	Confident	80 Å²	80	62.8 Å²	62.8	43%	0.428	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	7.6	176.9	-70.8	-79.9	0	0	0	113.8	T345 I349 F378 L379 M380 I384	T345-N382 HydrophobicContact CG2-CB 4.21Å; I349-N382 HydrophobicContact CD1-CB 3.93Å; F378-N382 PolarHBondContact O-N 2.69Å; F378-N382 VanDerWaalsContact O-N 3.11Å; F378-N382 PolarHBondContact O-ND2 2.96Å; L379-N382 CarbonylContact O-C 3.46Å; L379-N382 PolarHBondContact O-N 3.2Å; M380-N382 PolarHBondContact O-N 3.49Å; N382-I384 HydrophobicContact CB-CD1 3.93Å; N382-I384 HydrophobicContact CB-CG1 4.14Å; N382-I384 PolarHBondContact O-N 2.91Å
383	R	87.4	Confident	79.4	Confident	229 Å²	229	62.7 Å²	62.7	86%	0.864	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	33.5	-179.7	-52.2	177.9	-177.3	-173.7	-0.4	113.4	L379 M380 Q381	L379-R383 PolarHBondContact O-N 3.34Å; L379-R383 VanDerWaalsContact O-N 3.12Å; M380-R383 PolarHBondContact O-N 3.3Å; Q381-R383 VanDerWaalsContact C-N 3.32Å
384	I	89	Confident	79.1	Confident	5 Å²	5	55.8 Å²	55.8	3%	0.026	29%	0.287	C	S	.	.			trans	-88	122.4	175.8	-62.3	165.8	0	0	0	107.9	T345 I349 Y359 L379 N382 V569	T345-I384 HydrophobicContact CG2-CD1 3.72Å; I349-I384 HydrophobicContact CD1-CD1 3.86Å; I349-I384 HydrophobicContact CG1-CD1 3.57Å; I349-I384 HydrophobicContact CG1-CG1 4.49Å; Y359-I384 HydrophobicContact CD1-CG2 3.71Å; Y359-I384 HydrophobicContact CE1-CB 4.48Å; Y359-I384 HydrophobicContact CE1-CG1 4.13Å; Y359-I384 HydrophobicContact CE1-CG2 3.73Å; Y359-I384 HydrophobicContact CG-CG2 4.35Å; L379-I384 HydrophobicContact CB-CB 4.33Å; L379-I384 HydrophobicContact CD2-CB 4.04Å; L379-I384 HydrophobicContact CD2-CD1 3.87Å; L379-I384 HydrophobicContact CD2-CG2 3.88Å; L379-I384 PolarHBondContact O-N 2.85Å; N382-I384 HydrophobicContact CB-CD1 3.93Å; N382-I384 HydrophobicContact CB-CG1 4.14Å; N382-I384 PolarHBondContact O-N 2.91Å; I384-V569 HydrophobicContact CG2-CG2 3.55Å
385	P	89	Confident	78.8	Confident	54 Å²	54	54.6 Å²	54.6	35%	0.351	28%	0.28	S	S	.	.			trans	-67.1	138.6	174.4	29.1	-33.8	0	0	0	109.6	Y359 D567 Q568 V569	Y359-P385 HydrophobicContact CD2-CG 3.96Å; Y359-P385 HydrophobicContact CE2-CG 4.47Å; Y359-P385 HydrophobicContact CG-CG 4.41Å; P385-D567 VanDerWaalsContact CG-O 3.24Å; P385-D567 WeakPolarHBondContact CG-O 3.38Å; P385-Q568 HydrophobicContact CB-CB 3.85Å; P385-Q568 HydrophobicContact CG-CB 4.26Å; P385-Q568 CarbonylContact O-C 3.5Å; P385-Q568 WeakPolarHBondContact O-CA 3.29Å; P385-Q568 WeakPolarHBondContact O-CB 3.21Å; P385-V569 PolarHBondContact O-N 3.42Å
386	Y	88.6	Confident	78.2	Confident	56 Å²	56	56.4 Å²	56.4	22%	0.22	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	160.4	179.8	72.1	-84.3	0	0	0	112.2	E376 L379 M380 I388 Q568 V569 L571	E376-Y386 HydrophobicContact CB-CE2 4.14Å; E376-Y386 HydrophobicContact CG-CD2 4.39Å; E376-Y386 HydrophobicContact CG-CE2 3.62Å; L379-Y386 HydrophobicContact CB-CD1 4.01Å; L379-Y386 HydrophobicContact CB-CG 4.47Å; L379-Y386 HydrophobicContact CD1-CD1 4.48Å; L379-Y386 HydrophobicContact CD1-CG 4.13Å; M380-Y386 HydrophobicContact CG-CD1 4.47Å; M380-Y386 HydrophobicContact CG-CE1 3.43Å; M380-Y386 VanDerWaalsContact CG-CE1 3.43Å; M380-Y386 HydrophobicContact SD-CE1 4.22Å; M380-Y386 PolarHBondContact SD-OH 3.18Å; M380-Y386 VanDerWaalsContact SD-OH 3.36Å; Y386-I388 HydrophobicContact CD2-CG1 4.18Å; Y386-I388 HydrophobicContact CE2-CD1 4.12Å; Y386-I388 HydrophobicContact CE2-CG1 3.97Å; Y386-Q568 PolarHBondContact O-OE1 3.3Å; Y386-V569 CarbonylContact C-O 3.54Å; Y386-V569 VanDerWaalsContact CA-O 3.23Å; Y386-V569 WeakPolarHBondContact CA-O 3.28Å; Y386-L571 HydrophobicContact CD2-CD1 3.96Å; Y386-L571 HydrophobicContact CD2-CD2 4.48Å; Y386-L571 HydrophobicContact CG-CD1 4.12Å
387	K	85.6	Confident	78	Confident	35 Å²	35	58.5 Å²	58.5	15%	0.152	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	130.3	176	-178.1	-177.5	-178	-176.1	0	110.8	S562 Q568 V569 L571	K387-S562 VanDerWaalsContact CE-OG 3.23Å; K387-S562 WeakPolarHBondContact CE-OG 3.15Å; K387-S562 PolarHBondContact NZ-O 3.09Å; K387-S562 PolarHBondContact NZ-OG 2.89Å; K387-Q568 HydrophobicContact CB-CG 3.99Å; K387-V569 PolarHBondContact N-O 2.7Å; K387-L571 PolarHBondContact O-N 2.75Å
388	I	81.6	Confident	78.4	Confident	51 Å²	51	57.9 Å²	57.9	26%	0.262	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	122.2	170.2	-56.7	166.7	0	0	0	108.7	E376 Y386 L571	E376-I388 HydrophobicContact CG-CD1 3.84Å; E376-I388 HydrophobicContact CG-CG1 4.33Å; E376-I388 WeakPolarHBondContact OE1-CD1 3.49Å; E376-I388 WeakPolarHBondContact OE2-CD1 3.34Å; Y386-I388 HydrophobicContact CD2-CG1 4.18Å; Y386-I388 HydrophobicContact CE2-CD1 4.12Å; Y386-I388 HydrophobicContact CE2-CG1 3.97Å; I388-L571 CarbonylContact C-O 3.45Å; I388-L571 WeakPolarHBondContact CA-O 3.23Å; I388-L571 HydrophobicContact CG1-CB 4.27Å
389	S	75.1	Confident	78.8	Confident	15 Å²	15	57.3 Å²	57.3	11%	0.105	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	133.8	169.1	-52.4	0	0	0	0	109.2	L571	S389-L571 PolarHBondContact N-O 3.38Å
390	G	61.2	Low	78.9	Confident	32 Å²	32	57.3 Å²	57.3	33%	0.33	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	19.8	-175.2	0	0	0	0	0	114.9
391	G	57.2	Low	79.7	Confident	38 Å²	38	52.8 Å²	52.8	39%	0.392	28%	0.278	S	S	.	.			trans	-61.9	177.9	165.9	0	0	0	0	0	112.8	S393	G391-S393 PolarHBondContact O-N 2.86Å; G391-S393 VanDerWaalsContact O-N 3.14Å
392	T	61.2	Low	80.4	Confident	118 Å²	118	47.7 Å²	47.7	72%	0.724	26%	0.255	S	S	*	.			trans	-58.1	121.2	176.2	45.3	0	0	0	0	110
393	S	64.3	Low	80.7	Confident	5 Å²	5	44 Å²	44	4%	0.035	24%	0.235	C	C	.	.			trans	-50.2	141.6	174.5	161.1	0	0	0	0	109.5	G391 F395 S396 D555	G391-S393 PolarHBondContact O-N 2.86Å; G391-S393 VanDerWaalsContact O-N 3.14Å; S393-F395 PolarHBondContact O-N 2.89Å; S393-F395 PolarHBondContact OG-N 3.22Å; S393-F395 VanDerWaalsContact OG-N 3.14Å; S393-S396 PolarHBondContact N-OG 3.37Å; S393-S396 VanDerWaalsContact N-OG 3.12Å; S393-S396 WeakPolarHBondContact O-CB 2.99Å; S393-S396 PolarHBondContact O-N 3.28Å; S393-S396 PolarHBondContact O-OG 2.97Å; S393-D555 WeakPolarHBondContact CB-OD1 3.43Å; S393-D555 PolarHBondContact OG-O 3.11Å; S393-D555 PolarHBondContact OG-OD1 3.39Å
394	F	69.8	Low	80.9	Confident	43 Å²	43	33.7 Å²	33.7	19%	0.189	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-50.5	-41	172.2	170.1	-92.6	0	0	0	111.1	S396 R397 I400 N521 Q524 L525 W528	F394-S396 VanDerWaalsContact C-N 3.3Å; F394-S396 PolarHBondContact O-N 2.9Å; F394-R397 WeakPolarHBondContact O-CB 3.38Å; F394-R397 VanDerWaalsContact O-CG 3.32Å; F394-R397 WeakPolarHBondContact O-CG 3.36Å; F394-R397 PolarHBondContact O-N 3.01Å; F394-I400 HydrophobicContact CD1-CG1 4.29Å; F394-I400 HydrophobicContact CD1-CG2 4.35Å; F394-I400 HydrophobicContact CE1-CD1 3.76Å; F394-I400 HydrophobicContact CE1-CG1 3.83Å; F394-I400 HydrophobicContact CE1-CG2 4.05Å; F394-I400 HydrophobicContact CE2-CD1 4.19Å; F394-I400 HydrophobicContact CE2-CG1 4.31Å; F394-I400 HydrophobicContact CZ-CD1 3.49Å; F394-I400 VanDerWaalsContact CZ-CD1 3.49Å; F394-I400 HydrophobicContact CZ-CG1 3.86Å; F394-I400 WeakPolarHBondContact O-CG1 3.47Å; F394-N521 HydrophobicContact CE2-CB 3.79Å; F394-N521 HydrophobicContact CZ-CB 4.25Å; F394-N521 WeakPolarHBondContact CZ-O 3.48Å; F394-Q524 HydrophobicContact CE2-CB 4.5Å; F394-Q524 HydrophobicContact CZ-CB 4.31Å; F394-Q524 HydrophobicContact CZ-CG 4.45Å; F394-L525 HydrophobicContact CE1-CB 4.35Å; F394-L525 HydrophobicContact CE1-CD1 4.13Å; F394-L525 HydrophobicContact CZ-CB 4.36Å; F394-W528 HydrophobicContact CD1-CH2 4.18Å; F394-W528 AromaticContact CD1-CZ3 3.59Å; F394-W528 HydrophobicContact CD1-CZ3 3.59Å; F394-W528 HydrophobicContact CE1-CE3 4.12Å; F394-W528 HydrophobicContact CE1-CH2 4.16Å; F394-W528 AromaticContact CE1-CZ3 3.38Å; F394-W528 HydrophobicContact CE1-CZ3 3.38Å; F394-W528 HydrophobicContact CE2-CZ3 4.48Å; F394-W528 HydrophobicContact CG-CH2 4.38Å; F394-W528 HydrophobicContact CG-CZ3 4.24Å; F394-W528 HydrophobicContact CZ-CH2 4.33Å; F394-W528 AromaticContact CZ-CZ3 3.86Å; F394-W528 HydrophobicContact CZ-CZ3 3.86Å
395	F	77.9	Confident	81.1	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-76.9	-15	-179.2	-61.7	-83.4	0	0	0	113.9	S393 R397 I400 K401 L404 L525 W528 F551 R554 D555 E558	S393-F395 PolarHBondContact O-N 2.89Å; S393-F395 PolarHBondContact OG-N 3.22Å; S393-F395 VanDerWaalsContact OG-N 3.14Å; F395-R397 PolarHBondContact O-N 3.46Å; F395-I400 HydrophobicContact CB-CG2 4.36Å; F395-I400 HydrophobicContact CD1-CG2 3.94Å; F395-K401 WeakPolarHBondContact O-CG 3.3Å; F395-L404 HydrophobicContact CD1-CD1 4.03Å; F395-L525 HydrophobicContact CD1-CD1 4.3Å; F395-L525 HydrophobicContact CE1-CD1 3.74Å; F395-W528 HydrophobicContact CZ-CZ3 4.26Å; F395-F551 HydrophobicContact CD1-CB 4.38Å; F395-F551 HydrophobicContact CE1-CB 3.82Å; F395-F551 AromaticContact CE1-CD1 3.56Å; F395-F551 HydrophobicContact CE1-CD1 3.56Å; F395-F551 HydrophobicContact CE1-CE1 4.36Å; F395-F551 AromaticContact CE1-CG 3.91Å; F395-F551 HydrophobicContact CE1-CG 3.91Å; F395-F551 AromaticContact CZ-CD1 3.83Å; F395-F551 HydrophobicContact CZ-CD1 3.83Å; F395-R554 HydrophobicContact CD2-CB 4.21Å; F395-R554 HydrophobicContact CE2-CB 3.52Å; F395-R554 HydrophobicContact CZ-CB 3.79Å; F395-D555 VanDerWaalsContact C-OD1 3.31Å; F395-D555 HydrophobicContact CB-CB 3.21Å; F395-D555 WeakPolarHBondContact CB-OD1 3.38Å; F395-D555 HydrophobicContact CD2-CB 4.23Å; F395-D555 HydrophobicContact CG-CB 3.82Å; F395-E558 WeakPolarHBondContact CE2-OE2 3.12Å
396	S	77.2	Confident	81.5	Confident	39 Å²	39	31 Å²	31	27%	0.273	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-77.6	-8.5	171.5	72.6	0	0	0	0	113.8	S393 F394 D555	S393-S396 PolarHBondContact N-OG 3.37Å; S393-S396 VanDerWaalsContact N-OG 3.12Å; S393-S396 WeakPolarHBondContact O-CB 2.99Å; S393-S396 PolarHBondContact O-N 3.28Å; S393-S396 PolarHBondContact O-OG 2.97Å; F394-S396 VanDerWaalsContact C-N 3.3Å; F394-S396 PolarHBondContact O-N 2.9Å; S396-D555 PolarHBondContact N-OD1 3.39Å
397	R	81.8	Confident	81.8	Confident	84 Å²	84	28.4 Å²	28.4	32%	0.317	17%	0.17	S	C	.	.	S	Bend	trans	-68.5	139.1	179.7	-66	-177.8	179.8	-169.3	1.4	111	F394 F395 E399 I400 K401 N521	F394-R397 WeakPolarHBondContact O-CB 3.38Å; F394-R397 VanDerWaalsContact O-CG 3.32Å; F394-R397 WeakPolarHBondContact O-CG 3.36Å; F394-R397 PolarHBondContact O-N 3.01Å; F395-R397 PolarHBondContact O-N 3.46Å; R397-E399 VanDerWaalsContact C-N 3.33Å; R397-E399 PolarHBondContact O-N 3.44Å; R397-I400 HydrophobicContact CB-CB 4.42Å; R397-I400 HydrophobicContact CB-CG1 4.1Å; R397-I400 PolarHBondContact O-N 3.31Å; R397-K401 PolarHBondContact O-N 3.33Å; R397-N521 PolarHBondContact NH1-ND2 3.23Å; R397-N521 PolarHBondContact NH1-OD1 3.02Å
398	P	89.5	Confident	82.1	Confident	73 Å²	73	27.4 Å²	27.4	47%	0.474	17%	0.165	S	C	.	.	H	α-helix	trans	-54.4	-44.9	-175.9	-27.3	35	0	0	0	113.8	I400 K401 D402 R421	P398-I400 VanDerWaalsContact C-N 3.26Å; P398-I400 PolarHBondContact O-N 2.86Å; P398-K401 PolarHBondContact O-N 3.25Å; P398-D402 PolarHBondContact O-N 2.57Å; P398-R421 PolarHBondContact O-NH2 2.76Å
399	E	90.8	Very high	82.8	Confident	8 Å²	8	25 Å²	25	4%	0.037	15%	0.153	C	C	.	.	H	α-helix	trans	-64.5	-29.9	179.6	63.8	-82.6	-170.6	0	0	113.7	R397 L403 Y501 L505 R518 N521 V522	R397-E399 VanDerWaalsContact C-N 3.33Å; R397-E399 PolarHBondContact O-N 3.44Å; E399-L403 PolarHBondContact O-N 3.47Å; E399-Y501 WeakPolarHBondContact CA-OH 3.22Å; E399-Y501 HydrophobicContact CB-CE1 4.1Å; E399-L505 HydrophobicContact CB-CD2 4.07Å; E399-R518 HydrophobicContact CB-CB 4.38Å; E399-R518 HydrophobicContact CG-CB 3.96Å; E399-R518 HydrophobicContact CG-CG 4.35Å; E399-R518 IonicContact OE2-CZ 3.28Å; E399-R518 IonicContact OE2-NE 2.7Å; E399-R518 PolarHBondContact OE2-NE 2.98Å; E399-R518 IonicContact OE2-NH2 2.73Å; E399-N521 HydrophobicContact CG-CB 4.28Å; E399-N521 PolarHBondContact OE1-ND2 3.26Å; E399-V522 HydrophobicContact CB-CG2 4.11Å; E399-V522 HydrophobicContact CG-CG2 4.25Å
400	I	89.4	Confident	83.7	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-77.6	-41.8	177.1	-59.2	-53.7	0	0	0	110.1	F394 F395 R397 P398 D402 L403 L404 N521 L525	F394-I400 HydrophobicContact CD1-CG1 4.29Å; F394-I400 HydrophobicContact CD1-CG2 4.35Å; F394-I400 HydrophobicContact CE1-CD1 3.76Å; F394-I400 HydrophobicContact CE1-CG1 3.83Å; F394-I400 HydrophobicContact CE1-CG2 4.05Å; F394-I400 HydrophobicContact CE2-CD1 4.19Å; F394-I400 HydrophobicContact CE2-CG1 4.31Å; F394-I400 HydrophobicContact CZ-CD1 3.49Å; F394-I400 VanDerWaalsContact CZ-CD1 3.49Å; F394-I400 HydrophobicContact CZ-CG1 3.86Å; F394-I400 WeakPolarHBondContact O-CG1 3.47Å; F395-I400 HydrophobicContact CB-CG2 4.36Å; F395-I400 HydrophobicContact CD1-CG2 3.94Å; R397-I400 HydrophobicContact CB-CB 4.42Å; R397-I400 HydrophobicContact CB-CG1 4.1Å; R397-I400 PolarHBondContact O-N 3.31Å; P398-I400 VanDerWaalsContact C-N 3.26Å; P398-I400 PolarHBondContact O-N 2.86Å; I400-D402 VanDerWaalsContact C-N 3.33Å; I400-D402 PolarHBondContact O-N 3.25Å; I400-L403 PolarHBondContact O-N 2.7Å; I400-L404 HydrophobicContact CG2-CD1 4.1Å; I400-L404 HydrophobicContact CG2-CG 4.32Å; I400-L404 WeakPolarHBondContact O-CB 3.42Å; I400-L404 WeakPolarHBondContact O-CG 3.14Å; I400-L404 PolarHBondContact O-N 3.45Å; I400-N521 HydrophobicContact CD1-CB 3.87Å; I400-N521 WeakPolarHBondContact CD1-O 3.47Å; I400-N521 HydrophobicContact CG1-CB 4.37Å; I400-L525 HydrophobicContact CD1-CB 4.14Å; I400-L525 HydrophobicContact CD1-CD2 4.44Å; I400-L525 HydrophobicContact CG2-CD1 4.35Å; I400-L525 HydrophobicContact CG2-CD2 4.09Å
401	K	89.8	Confident	85.2	Confident	24 Å²	24	24 Å²	24	10%	0.104	14%	0.139	C	C	.	.	H	α-helix	trans	-63.8	-37.8	176.2	-69.5	-159.4	146.3	-174.1	0	113	D126 T128 F395 R397 P398 A405 R421 D555	D126-K401 IonicContact OD1-NZ 2.7Å; D126-K401 PolarHBondContact OD1-NZ 3.49Å; D126-K401 WeakPolarHBondContact OD2-CE 3.41Å; D126-K401 IonicContact OD2-NZ 3.69Å; D126-K401 PolarHBondContact OD2-NZ 2.94Å; T128-K401 PolarHBondContact OG1-NZ 2.74Å; F395-K401 WeakPolarHBondContact O-CG 3.3Å; R397-K401 PolarHBondContact O-N 3.33Å; P398-K401 PolarHBondContact O-N 3.25Å; K401-A405 WeakPolarHBondContact O-CB 3.44Å; K401-A405 PolarHBondContact O-N 2.92Å; K401-R421 VanDerWaalsContact CB-NH2 3.35Å; K401-R421 PolarHBondContact O-NE 2.79Å; K401-D555 IonicContact NZ-OD2 3.86Å
402	D	93.6	Very high	87	Confident	12 Å²	12	22.2 Å²	22.2	6%	0.064	12%	0.121	C	C	.	.	H	α-helix	trans	-62.1	-51.9	175.1	-67.2	-7.1	0	0	0	110.5	P398 I400 L404 A405 Y406 R421 T425 Y501	P398-D402 PolarHBondContact O-N 2.57Å; I400-D402 VanDerWaalsContact C-N 3.33Å; I400-D402 PolarHBondContact O-N 3.25Å; D402-L404 PolarHBondContact O-N 2.91Å; D402-A405 PolarHBondContact O-N 3.27Å; D402-Y406 VanDerWaalsContact O-CD2 3.25Å; D402-Y406 WeakPolarHBondContact O-CD2 3.4Å; D402-Y406 PolarHBondContact O-N 3.22Å; D402-Y406 VanDerWaalsContact O-N 3.15Å; D402-R421 IonicContact OD1-CZ 3.79Å; D402-R421 IonicContact OD1-NE 3.86Å; D402-R421 PolarHBondContact OD1-NE 3.14Å; D402-R421 IonicContact OD1-NH2 3.52Å; D402-R421 PolarHBondContact OD1-NH2 3.21Å; D402-T425 WeakPolarHBondContact OD2-CG2 3.13Å; D402-Y501 HydrophobicContact CB-CE2 4.07Å; D402-Y501 WeakPolarHBondContact CB-OH 3.28Å; D402-Y501 VanDerWaalsContact CG-OH 3.29Å; D402-Y501 PolarHBondContact OD2-OH 2.81Å
403	L	94.1	Very high	88.5	Confident	3 Å²	3	17.8 Å²	17.8	2%	0.016	9%	0.094	C	C	.	.	H	α-helix	trans	-62.4	-42.5	178.9	-175.5	55.6	0	0	0	111.7	E399 I400 A405 Y406 L407 L495 I496 M499 V522 L525	E399-L403 PolarHBondContact O-N 3.47Å; I400-L403 PolarHBondContact O-N 2.7Å; L403-A405 VanDerWaalsContact C-N 3.3Å; L403-A405 PolarHBondContact O-N 2.97Å; L403-Y406 WeakPolarHBondContact O-CB 3.35Å; L403-Y406 PolarHBondContact O-N 3.41Å; L403-L407 WeakPolarHBondContact O-CG 3.2Å; L403-L407 PolarHBondContact O-N 2.85Å; L403-L407 VanDerWaalsContact O-N 3.08Å; L403-L495 HydrophobicContact CD1-CD2 4.11Å; L403-I496 HydrophobicContact CD1-CD1 4.34Å; L403-I496 HydrophobicContact CD1-CG1 3.98Å; L403-I496 HydrophobicContact CD2-CD1 4.2Å; L403-M499 HydrophobicContact CD1-CE 4.15Å; L403-V522 HydrophobicContact CD2-CG1 3.94Å; L403-L525 HydrophobicContact CB-CD2 4.26Å; L403-L525 HydrophobicContact CD2-CD2 3.72Å; L403-L525 HydrophobicContact CG-CD2 4Å
404	L	92.2	Very high	89.8	Confident	12 Å²	12	18.7 Å²	18.7	6%	0.063	10%	0.099	C	C	.	.	H	α-helix	trans	-60.8	-37.9	175	-77.8	178.3	0	0	0	112.7	F395 I400 D402 Y406 L407 R408 L525 F551	F395-L404 HydrophobicContact CD1-CD1 4.03Å; I400-L404 HydrophobicContact CG2-CD1 4.1Å; I400-L404 HydrophobicContact CG2-CG 4.32Å; I400-L404 WeakPolarHBondContact O-CB 3.42Å; I400-L404 WeakPolarHBondContact O-CG 3.14Å; I400-L404 PolarHBondContact O-N 3.45Å; D402-L404 PolarHBondContact O-N 2.91Å; L404-Y406 VanDerWaalsContact C-N 3.34Å; L404-L407 HydrophobicContact CD2-CD1 4.41Å; L404-L407 PolarHBondContact O-N 3.2Å; L404-R408 WeakPolarHBondContact O-CB 3.44Å; L404-R408 VanDerWaalsContact O-CG 3.32Å; L404-R408 WeakPolarHBondContact O-CG 3.42Å; L404-R408 PolarHBondContact O-N 3.22Å; L404-L525 HydrophobicContact CD2-CD2 4.31Å; L404-L525 HydrophobicContact CG-CD2 4.32Å; L404-F551 HydrophobicContact CD2-CB 3.61Å; L404-F551 HydrophobicContact CD2-CD2 3.77Å; L404-F551 HydrophobicContact CD2-CG 4.06Å
405	A	93.6	Very high	90.7	Very high	3 Å²	3	16.7 Å²	16.7	3%	0.025	9%	0.09	C	C	.	.	H	α-helix	trans	-66.5	-36.3	177.2	0	0	0	0	0	112.1	K401 D402 L403 R408 V409 A418 R421 I422	K401-A405 WeakPolarHBondContact O-CB 3.44Å; K401-A405 PolarHBondContact O-N 2.92Å; D402-A405 PolarHBondContact O-N 3.27Å; L403-A405 VanDerWaalsContact C-N 3.3Å; L403-A405 PolarHBondContact O-N 2.97Å; A405-R408 PolarHBondContact O-N 3.42Å; A405-V409 WeakPolarHBondContact O-CG2 3.32Å; A405-V409 PolarHBondContact O-N 3.37Å; A405-A418 HydrophobicContact CB-CB 4.05Å; A405-R421 HydrophobicContact CB-CB 4.13Å; A405-R421 HydrophobicContact CB-CG 4.2Å; A405-I422 HydrophobicContact CB-CG2 3.46Å; A405-I422 VanDerWaalsContact CB-CG2 3.46Å
406	Y	96.3	Very high	91.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.4	-48.6	169.5	-80.5	-81	0	0	0	111.6	D402 L403 L404 R408 V409 L410 I422 T425 R428 F473 W476 L477 L495 M499	D402-Y406 VanDerWaalsContact O-CD2 3.25Å; D402-Y406 WeakPolarHBondContact O-CD2 3.4Å; D402-Y406 PolarHBondContact O-N 3.22Å; D402-Y406 VanDerWaalsContact O-N 3.15Å; L403-Y406 WeakPolarHBondContact O-CB 3.35Å; L403-Y406 PolarHBondContact O-N 3.41Å; L404-Y406 VanDerWaalsContact C-N 3.34Å; Y406-R408 VanDerWaalsContact C-N 3.25Å; Y406-R408 PolarHBondContact O-N 2.66Å; Y406-V409 PolarHBondContact O-N 3.1Å; Y406-L410 VanDerWaalsContact O-CG 3.32Å; Y406-L410 WeakPolarHBondContact O-CG 3.4Å; Y406-L410 PolarHBondContact O-N 2.74Å; Y406-I422 HydrophobicContact CD1-CB 4.24Å; Y406-I422 HydrophobicContact CD1-CD1 3.6Å; Y406-I422 HydrophobicContact CD1-CG1 4.45Å; Y406-I422 HydrophobicContact CD1-CG2 4.35Å; Y406-I422 HydrophobicContact CD2-CB 4.08Å; Y406-I422 HydrophobicContact CD2-CG2 3.55Å; Y406-I422 HydrophobicContact CE1-CB 3.92Å; Y406-I422 HydrophobicContact CE1-CD1 3.82Å; Y406-I422 HydrophobicContact CE1-CG1 4.29Å; Y406-I422 HydrophobicContact CE1-CG2 4.42Å; Y406-I422 HydrophobicContact CE2-CB 3.7Å; Y406-I422 HydrophobicContact CE2-CG2 3.59Å; Y406-I422 HydrophobicContact CG-CB 4.3Å; Y406-I422 HydrophobicContact CG-CD1 4.07Å; Y406-I422 HydrophobicContact CG-CG2 3.92Å; Y406-I422 PolarHBondContact OH-O 3.43Å; Y406-T425 WeakPolarHBondContact CE2-O 3.34Å; Y406-T425 PolarHBondContact OH-O 3.23Å; Y406-R428 VanDerWaalsContact OH-CZ 3.26Å; Y406-R428 PolarHBondContact OH-NH1 2.92Å; Y406-R428 PolarHBondContact OH-NH2 3.47Å; Y406-F473 HydrophobicContact CE1-CE2 4.06Å; Y406-F473 HydrophobicContact CE1-CZ 4.37Å; Y406-W476 HydrophobicContact CE1-CH2 4.37Å; Y406-W476 HydrophobicContact CE1-CZ3 4.1Å; Y406-L477 HydrophobicContact CD1-CD1 4.03Å; Y406-L495 HydrophobicContact CD1-CD1 3.6Å; Y406-L495 HydrophobicContact CD1-CD2 4.43Å; Y406-L495 HydrophobicContact CD1-CG 4.42Å; Y406-L495 HydrophobicContact CE1-CD1 4.2Å; Y406-L495 HydrophobicContact CG-CD1 4.11Å; Y406-L495 HydrophobicContact CG-CD2 4.12Å; Y406-L495 HydrophobicContact CG-CG 4.49Å; Y406-M499 HydrophobicContact CD2-SD 4.01Å; Y406-M499 HydrophobicContact CE1-SD 4.45Å; Y406-M499 HydrophobicContact CE2-SD 3.58Å; Y406-M499 VanDerWaalsContact CE2-SD 3.58Å
407	L	94.9	Very high	91.6	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-62.5	-34.8	179.6	-59.9	175.8	0	0	0	112	L403 L404 L410 T411 V492 L495 M529 V548	L403-L407 WeakPolarHBondContact O-CG 3.2Å; L403-L407 PolarHBondContact O-N 2.85Å; L403-L407 VanDerWaalsContact O-N 3.08Å; L404-L407 HydrophobicContact CD2-CD1 4.41Å; L404-L407 PolarHBondContact O-N 3.2Å; L407-L410 HydrophobicContact CD2-CD1 4.44Å; L407-T411 WeakPolarHBondContact O-CG2 3.5Å; L407-T411 PolarHBondContact O-N 3.26Å; L407-T411 VanDerWaalsContact O-N 3.11Å; L407-T411 PolarHBondContact O-OG1 3.05Å; L407-V492 HydrophobicContact CD2-CB 4.39Å; L407-V492 HydrophobicContact CD2-CG1 3.98Å; L407-V492 HydrophobicContact CD2-CG2 3.46Å; L407-V492 VanDerWaalsContact CD2-CG2 3.46Å; L407-L495 HydrophobicContact CD2-CD2 4.46Å; L407-M529 HydrophobicContact CD1-SD 4.28Å; L407-M529 HydrophobicContact CD2-SD 4.33Å; L407-V548 HydrophobicContact CB-CG2 3.57Å; L407-V548 HydrophobicContact CD1-CG2 4.49Å
408	R	93.4	Very high	92.1	Very high	14 Å²	14	13.4 Å²	13.4	5%	0.053	8%	0.078	C	C	.	.	H	α-helix	trans	-64.1	-47.8	173.1	-78.3	171	60.1	-178.7	-2	111.7	F125 D129 L404 A405 Y406 L410 T411 N412 D415 A418 V548	F125-R408 VanDerWaalsContact CD1-NH2 3.29Å; D129-R408 IonicContact OD1-NH1 3.28Å; D129-R408 IonicContact OD2-CZ 3.76Å; D129-R408 IonicContact OD2-NH1 2.68Å; D129-R408 PolarHBondContact OD2-NH1 2.98Å; D129-R408 IonicContact OD2-NH2 3.68Å; L404-R408 WeakPolarHBondContact O-CB 3.44Å; L404-R408 VanDerWaalsContact O-CG 3.32Å; L404-R408 WeakPolarHBondContact O-CG 3.42Å; L404-R408 PolarHBondContact O-N 3.22Å; A405-R408 PolarHBondContact O-N 3.42Å; Y406-R408 VanDerWaalsContact C-N 3.25Å; Y406-R408 PolarHBondContact O-N 2.66Å; R408-L410 VanDerWaalsContact C-N 3.33Å; R408-L410 PolarHBondContact O-N 3.2Å; R408-T411 PolarHBondContact O-N 3.18Å; R408-T411 PolarHBondContact O-OG1 3.38Å; R408-N412 CarbonylContact O-C 3.6Å; R408-N412 WeakPolarHBondContact O-CA 3.43Å; R408-N412 PolarHBondContact O-N 2.93Å; R408-D415 IonicContact CZ-OD1 2.81Å; R408-D415 IonicContact CZ-OD2 2.7Å; R408-D415 IonicContact NE-OD2 3.7Å; R408-D415 PolarHBondContact NE-OD2 3.45Å; R408-D415 VanDerWaalsContact NH2-CG 3.25Å; R408-D415 IonicContact NH2-OD1 3.67Å; R408-D415 PolarHBondContact NH2-OD1 3.1Å; R408-D415 IonicContact NH2-OD2 2.72Å; R408-D415 PolarHBondContact NH2-OD2 2.68Å; R408-A418 HydrophobicContact CB-CB 3.73Å; R408-V548 HydrophobicContact CG-CG1 3.66Å
409	V	95.1	Very high	92.3	Very high	1 Å²	1	10 Å²	10	1%	0.006	6%	0.056	C	C	.	.	H	α-helix	trans	-64.7	-38.3	177.2	177.4	0	0	0	0	111.8	A405 Y406 T411 N412 A418 F419 I422 F450 L477	A405-V409 WeakPolarHBondContact O-CG2 3.32Å; A405-V409 PolarHBondContact O-N 3.37Å; Y406-V409 PolarHBondContact O-N 3.1Å; V409-T411 VanDerWaalsContact C-N 3.26Å; V409-T411 PolarHBondContact O-N 2.82Å; V409-N412 CarbonylContact O-C 3.58Å; V409-A418 HydrophobicContact CG2-CB 3.69Å; V409-F419 HydrophobicContact CG2-CB 4.05Å; V409-I422 HydrophobicContact CB-CD1 3.98Å; V409-I422 HydrophobicContact CG1-CD1 4.45Å; V409-I422 HydrophobicContact CG2-CD1 3.66Å; V409-I422 HydrophobicContact CG2-CG1 4.46Å; V409-F450 HydrophobicContact CG1-CD2 4.12Å; V409-F450 HydrophobicContact CG1-CE2 4.5Å; V409-F450 HydrophobicContact CG1-CG 4.29Å; V409-L477 HydrophobicContact CB-CD2 4.32Å; V409-L477 HydrophobicContact CG1-CD2 3.61Å
410	L	94.8	Very high	92.3	Very high	9 Å²	9	12.8 Å²	12.8	5%	0.047	7%	0.071	C	C	.	.	H	α-helix	trans	-60.2	-38	176.2	-71.3	177.4	0	0	0	112.2	Y406 L407 R408 L477 I480 Q481 L495	Y406-L410 VanDerWaalsContact O-CG 3.32Å; Y406-L410 WeakPolarHBondContact O-CG 3.4Å; Y406-L410 PolarHBondContact O-N 2.74Å; L407-L410 HydrophobicContact CD2-CD1 4.44Å; R408-L410 VanDerWaalsContact C-N 3.33Å; R408-L410 PolarHBondContact O-N 3.2Å; L410-L477 HydrophobicContact CD2-CD1 3.72Å; L410-L477 HydrophobicContact CD2-CG 4.18Å; L410-L477 HydrophobicContact CG-CD1 4.28Å; L410-I480 HydrophobicContact CD1-CG2 3.92Å; L410-I480 HydrophobicContact CD2-CB 4.16Å; L410-I480 HydrophobicContact CD2-CG2 3.8Å; L410-Q481 HydrophobicContact CD2-CB 3.93Å; L410-Q481 PolarHBondContact O-NE2 3.13Å; L410-L495 HydrophobicContact CD1-CD2 4.16Å
411	T	93.4	Very high	92.4	Very high	17 Å²	17	16.7 Å²	16.7	10%	0.104	9%	0.085	C	C	.	.	H	α-helix	trans	-92.9	-27.3	-177	54.4	0	0	0	0	113.5	N121 L407 R408 V409 L544 V548	N121-T411 WeakPolarHBondContact CB-O 3.14Å; N121-T411 PolarHBondContact ND2-O 2.89Å; L407-T411 WeakPolarHBondContact O-CG2 3.5Å; L407-T411 PolarHBondContact O-N 3.26Å; L407-T411 VanDerWaalsContact O-N 3.11Å; L407-T411 PolarHBondContact O-OG1 3.05Å; R408-T411 PolarHBondContact O-N 3.18Å; R408-T411 PolarHBondContact O-OG1 3.38Å; V409-T411 VanDerWaalsContact C-N 3.26Å; V409-T411 PolarHBondContact O-N 2.82Å; T411-L544 HydrophobicContact CG2-CB 4.26Å; T411-L544 HydrophobicContact CG2-CD2 3.94Å; T411-L544 HydrophobicContact CG2-CG 3.72Å; T411-V548 HydrophobicContact CG2-CG2 4.14Å
412	N	93.4	Very high	92.7	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	8%	0.081	C	C	.	.			trans	-138	90.3	177.2	-173	12.2	0	0	0	111	N121 S123 R408 V409 D414 D415	N121-N412 PolarHBondContact ND2-OD1 3.43Å; N121-N412 WeakPolarHBondContact O-CB 3.17Å; N121-N412 PolarHBondContact O-ND2 3.44Å; N121-N412 PolarHBondContact O-OD1 3.5Å; S123-N412 PolarHBondContact N-ND2 2.94Å; S123-N412 WeakPolarHBondContact OG-CB 3.27Å; S123-N412 PolarHBondContact OG-ND2 3.1Å; R408-N412 CarbonylContact O-C 3.6Å; R408-N412 WeakPolarHBondContact O-CA 3.43Å; R408-N412 PolarHBondContact O-N 2.93Å; V409-N412 CarbonylContact O-C 3.58Å; N412-D414 PolarHBondContact O-N 3.14Å; N412-D414 VanDerWaalsContact O-N 3.07Å; N412-D414 WeakPolarHBondContact OD1-CB 3.44Å; N412-D414 PolarHBondContact OD1-N 2.76Å; N412-D414 VanDerWaalsContact OD1-N 3.13Å; N412-D415 HydrophobicContact CB-CB 4.31Å; N412-D415 VanDerWaalsContact O-CB 3.29Å; N412-D415 WeakPolarHBondContact O-CB 3.45Å; N412-D415 PolarHBondContact O-N 3.39Å; N412-D415 VanDerWaalsContact O-N 3.11Å
413	P	93.3	Very high	92.7	Very high	24 Å²	24	15.1 Å²	15.1	16%	0.156	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-11.4	174.2	-28.5	39.6	0	0	0	115.1	D415 S448 F450	P413-D415 VanDerWaalsContact C-N 3.29Å; P413-S448 VanDerWaalsContact O-CB 3.3Å; P413-S448 WeakPolarHBondContact O-CB 3.49Å; P413-S448 PolarHBondContact O-OG 2.71Å; P413-F450 HydrophobicContact CB-CD1 3.69Å; P413-F450 HydrophobicContact CB-CE1 4.17Å
414	D	90.6	Very high	92.6	Very high	25 Å²	25	17.3 Å²	17.3	13%	0.134	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-1.3	177.6	-62.1	-30.2	0	0	0	112.7	K119 C195 N412 D416	K119-D414 IonicContact NZ-OD2 3.33Å; K119-D414 PolarHBondContact NZ-OD2 2.94Å; C195-D414 WeakPolarHBondContact CB-O 3.36Å; N412-D414 PolarHBondContact O-N 3.14Å; N412-D414 VanDerWaalsContact O-N 3.07Å; N412-D414 WeakPolarHBondContact OD1-CB 3.44Å; N412-D414 PolarHBondContact OD1-N 2.76Å; N412-D414 VanDerWaalsContact OD1-N 3.13Å; D414-D416 PolarHBondContact O-N 3.46Å
415	D	90.4	Very high	92.6	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	10%	0.097	C	C	.	.			trans	-85.3	82.8	-178.5	-165.4	-19.2	0	0	0	112.9	S123 R408 N412 P413 S417 A418 F419	S123-D415 WeakPolarHBondContact CB-OD2 3.05Å; S123-D415 PolarHBondContact OG-OD2 2.64Å; R408-D415 IonicContact CZ-OD1 2.81Å; R408-D415 IonicContact CZ-OD2 2.7Å; R408-D415 IonicContact NE-OD2 3.7Å; R408-D415 PolarHBondContact NE-OD2 3.45Å; R408-D415 VanDerWaalsContact NH2-CG 3.25Å; R408-D415 IonicContact NH2-OD1 3.67Å; R408-D415 PolarHBondContact NH2-OD1 3.1Å; R408-D415 IonicContact NH2-OD2 2.72Å; R408-D415 PolarHBondContact NH2-OD2 2.68Å; N412-D415 HydrophobicContact CB-CB 4.31Å; N412-D415 VanDerWaalsContact O-CB 3.29Å; N412-D415 WeakPolarHBondContact O-CB 3.45Å; N412-D415 PolarHBondContact O-N 3.39Å; N412-D415 VanDerWaalsContact O-N 3.11Å; P413-D415 VanDerWaalsContact C-N 3.29Å; D415-S417 VanDerWaalsContact C-N 3.29Å; D415-S417 PolarHBondContact O-N 2.92Å; D415-A418 HydrophobicContact CB-CB 4.08Å; D415-A418 VanDerWaalsContact CG-CB 3.48Å; D415-A418 PolarHBondContact O-N 3.48Å; D415-A418 PolarHBondContact OD1-N 3.24Å; D415-A418 VanDerWaalsContact OD1-N 3.11Å; D415-F419 PolarHBondContact O-N 3.42Å
416	D	87.5	Confident	92.6	Very high	24 Å²	24	18.8 Å²	18.8	13%	0.128	10%	0.099	C	C	.	.	H	α-helix	trans	-64.3	-30.6	-178.3	-74.9	-27.8	0	0	0	113.5	D414 F419 L420 S448 M449	D414-D416 PolarHBondContact O-N 3.46Å; D416-F419 PolarHBondContact O-N 2.66Å; D416-L420 VanDerWaalsContact O-CB 3.31Å; D416-L420 WeakPolarHBondContact O-CB 3.44Å; D416-L420 VanDerWaalsContact O-CG 3.27Å; D416-L420 WeakPolarHBondContact O-CG 3.46Å; D416-L420 PolarHBondContact O-N 3.48Å; D416-S448 WeakPolarHBondContact OD1-CB 3.35Å; D416-M449 HydrophobicContact CB-CG 4.45Å; D416-M449 VanDerWaalsContact OD1-CB 3.31Å; D416-M449 WeakPolarHBondContact OD1-CB 3.32Å; D416-M449 WeakPolarHBondContact OD1-CG 3.3Å; D416-M449 PolarHBondContact OD1-N 2.86Å
417	S	85.8	Confident	92.3	Very high	29 Å²	29	26.4 Å²	26.4	20%	0.203	13%	0.132	C	C	.	.	H	α-helix	trans	-63.9	-46.9	175.6	172.7	0	0	0	0	111.2	D415 F419 L420 R421	D415-S417 VanDerWaalsContact C-N 3.29Å; D415-S417 PolarHBondContact O-N 2.92Å; S417-F419 VanDerWaalsContact C-N 3.34Å; S417-F419 PolarHBondContact O-N 2.59Å; S417-L420 PolarHBondContact O-N 3.42Å; S417-R421 PolarHBondContact O-N 3.27Å; S417-R421 VanDerWaalsContact O-N 3.1Å
418	A	91.9	Very high	92.2	Very high	1 Å²	1	28 Å²	28	1%	0.008	14%	0.138	C	C	.	.	H	α-helix	trans	-63.3	-41.7	175	0	0	0	0	0	111.4	A405 R408 V409 D415 R421 I422	A405-A418 HydrophobicContact CB-CB 4.05Å; R408-A418 HydrophobicContact CB-CB 3.73Å; V409-A418 HydrophobicContact CG2-CB 3.69Å; D415-A418 HydrophobicContact CB-CB 4.08Å; D415-A418 VanDerWaalsContact CG-CB 3.48Å; D415-A418 PolarHBondContact O-N 3.48Å; D415-A418 PolarHBondContact OD1-N 3.24Å; D415-A418 VanDerWaalsContact OD1-N 3.11Å; A418-R421 WeakPolarHBondContact O-CB 3.46Å; A418-R421 PolarHBondContact O-N 3.27Å; A418-I422 WeakPolarHBondContact O-CG1 3.47Å; A418-I422 PolarHBondContact O-N 2.94Å
419	F	94.5	Very high	92	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-61.5	-48.7	177.4	-178.3	-102.9	0	0	0	112.5	V409 D415 D416 S417 R421 I422 V423 L438 M449 F450 L470 F473 T474	V409-F419 HydrophobicContact CG2-CB 4.05Å; D415-F419 PolarHBondContact O-N 3.42Å; D416-F419 PolarHBondContact O-N 2.66Å; S417-F419 VanDerWaalsContact C-N 3.34Å; S417-F419 PolarHBondContact O-N 2.59Å; F419-R421 PolarHBondContact O-N 2.66Å; F419-I422 WeakPolarHBondContact O-CG1 3.43Å; F419-I422 PolarHBondContact O-N 3.44Å; F419-I422 VanDerWaalsContact O-N 3.14Å; F419-V423 HydrophobicContact CE1-CB 4.31Å; F419-V423 HydrophobicContact CE1-CG2 4.11Å; F419-V423 HydrophobicContact CE2-CG2 4.49Å; F419-V423 HydrophobicContact CZ-CB 4.32Å; F419-V423 HydrophobicContact CZ-CG2 3.89Å; F419-V423 WeakPolarHBondContact O-CB 3.46Å; F419-V423 PolarHBondContact O-N 2.87Å; F419-L438 HydrophobicContact CE1-CD2 3.74Å; F419-L438 HydrophobicContact CZ-CD2 4.17Å; F419-M449 HydrophobicContact CD1-CB 3.61Å; F419-M449 HydrophobicContact CD1-SD 4.38Å; F419-M449 HydrophobicContact CE1-CB 3.77Å; F419-F450 HydrophobicContact CD2-CB 3.97Å; F419-F450 HydrophobicContact CD2-CD2 4.02Å; F419-F450 HydrophobicContact CD2-CG 4.48Å; F419-F450 HydrophobicContact CE2-CB 4.2Å; F419-F450 AromaticContact CE2-CD2 3.84Å; F419-F450 HydrophobicContact CE2-CD2 3.84Å; F419-F450 HydrophobicContact CG-CB 4.43Å; F419-L470 HydrophobicContact CZ-CD1 4.1Å; F419-F473 HydrophobicContact CD2-CE1 4.32Å; F419-F473 HydrophobicContact CE2-CD1 4.31Å; F419-F473 AromaticContact CE2-CE1 3.62Å; F419-F473 HydrophobicContact CE2-CE1 3.62Å; F419-F473 HydrophobicContact CZ-CE1 4.25Å; F419-T474 HydrophobicContact CE2-CG2 3.91Å; F419-T474 HydrophobicContact CZ-CG2 4.04Å
420	L	90.7	Very high	91.9	Very high	67 Å²	67	33.9 Å²	33.9	35%	0.351	17%	0.166	S	C	.	.	H	α-helix	trans	-59.8	-34.7	177.5	-77.3	169.2	0	0	0	112.1	D416 S417 L435 M449	D416-L420 VanDerWaalsContact O-CB 3.31Å; D416-L420 WeakPolarHBondContact O-CB 3.44Å; D416-L420 VanDerWaalsContact O-CG 3.27Å; D416-L420 WeakPolarHBondContact O-CG 3.46Å; D416-L420 PolarHBondContact O-N 3.48Å; S417-L420 PolarHBondContact O-N 3.42Å; L420-L435 HydrophobicContact CD2-CD1 4.42Å; L420-M449 HydrophobicContact CD1-SD 4.18Å; L420-M449 HydrophobicContact CD2-CE 3.96Å; L420-M449 HydrophobicContact CD2-SD 3.73Å; L420-M449 HydrophobicContact CG-SD 3.86Å
421	R	91.3	Very high	91.5	Very high	82 Å²	82	34.8 Å²	34.8	31%	0.309	18%	0.177	S	C	.	.	H	α-helix	trans	-64.7	-43.4	174.8	-175.2	178.8	-177	92.4	10.9	112.5	P398 K401 D402 A405 S417 A418 F419	P398-R421 PolarHBondContact O-NH2 2.76Å; K401-R421 VanDerWaalsContact CB-NH2 3.35Å; K401-R421 PolarHBondContact O-NE 2.79Å; D402-R421 IonicContact OD1-CZ 3.79Å; D402-R421 IonicContact OD1-NE 3.86Å; D402-R421 PolarHBondContact OD1-NE 3.14Å; D402-R421 IonicContact OD1-NH2 3.52Å; D402-R421 PolarHBondContact OD1-NH2 3.21Å; A405-R421 HydrophobicContact CB-CB 4.13Å; A405-R421 HydrophobicContact CB-CG 4.2Å; S417-R421 PolarHBondContact O-N 3.27Å; S417-R421 VanDerWaalsContact O-N 3.1Å; A418-R421 WeakPolarHBondContact O-CB 3.46Å; A418-R421 PolarHBondContact O-N 3.27Å; F419-R421 PolarHBondContact O-N 2.66Å
422	I	95.2	Very high	91	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-94.1	-21.6	-169.2	64.9	174.4	0	0	0	114.6	A405 Y406 V409 A418 F419 N424 T425 R428 F473 L477	A405-I422 HydrophobicContact CB-CG2 3.46Å; A405-I422 VanDerWaalsContact CB-CG2 3.46Å; Y406-I422 HydrophobicContact CD1-CB 4.24Å; Y406-I422 HydrophobicContact CD1-CD1 3.6Å; Y406-I422 HydrophobicContact CD1-CG1 4.45Å; Y406-I422 HydrophobicContact CD1-CG2 4.35Å; Y406-I422 HydrophobicContact CD2-CB 4.08Å; Y406-I422 HydrophobicContact CD2-CG2 3.55Å; Y406-I422 HydrophobicContact CE1-CB 3.92Å; Y406-I422 HydrophobicContact CE1-CD1 3.82Å; Y406-I422 HydrophobicContact CE1-CG1 4.29Å; Y406-I422 HydrophobicContact CE1-CG2 4.42Å; Y406-I422 HydrophobicContact CE2-CB 3.7Å; Y406-I422 HydrophobicContact CE2-CG2 3.59Å; Y406-I422 HydrophobicContact CG-CB 4.3Å; Y406-I422 HydrophobicContact CG-CD1 4.07Å; Y406-I422 HydrophobicContact CG-CG2 3.92Å; Y406-I422 PolarHBondContact OH-O 3.43Å; V409-I422 HydrophobicContact CB-CD1 3.98Å; V409-I422 HydrophobicContact CG1-CD1 4.45Å; V409-I422 HydrophobicContact CG2-CD1 3.66Å; V409-I422 HydrophobicContact CG2-CG1 4.46Å; A418-I422 WeakPolarHBondContact O-CG1 3.47Å; A418-I422 PolarHBondContact O-N 2.94Å; F419-I422 WeakPolarHBondContact O-CG1 3.43Å; F419-I422 PolarHBondContact O-N 3.44Å; F419-I422 VanDerWaalsContact O-N 3.14Å; I422-N424 PolarHBondContact O-N 2.69Å; I422-T425 PolarHBondContact O-N 3.39Å; I422-T425 VanDerWaalsContact O-O 3.1Å; I422-R428 PolarHBondContact O-NH1 2.82Å; I422-F473 HydrophobicContact CD1-CZ 4.09Å; I422-F473 HydrophobicContact CG1-CZ 4.05Å; I422-L477 HydrophobicContact CD1-CD2 4.01Å
423	V	94.7	Very high	90.8	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-36.1	-168.6	65.9	0	0	0	0	112.6	F419 R428 I430 L435 L470 F473	F419-V423 HydrophobicContact CE1-CB 4.31Å; F419-V423 HydrophobicContact CE1-CG2 4.11Å; F419-V423 HydrophobicContact CE2-CG2 4.49Å; F419-V423 HydrophobicContact CZ-CB 4.32Å; F419-V423 HydrophobicContact CZ-CG2 3.89Å; F419-V423 WeakPolarHBondContact O-CB 3.46Å; F419-V423 PolarHBondContact O-N 2.87Å; V423-R428 PolarHBondContact O-NH1 3.26Å; V423-I430 HydrophobicContact CG2-CB 4.34Å; V423-I430 HydrophobicContact CG2-CD1 3.69Å; V423-I430 HydrophobicContact CG2-CG2 3.88Å; V423-L435 HydrophobicContact CB-CD2 4.33Å; V423-L435 HydrophobicContact CG1-CD1 3.91Å; V423-L435 HydrophobicContact CG1-CD2 3.67Å; V423-L435 HydrophobicContact CG1-CG 4.42Å; V423-L435 HydrophobicContact CG2-CD2 3.87Å; V423-L470 HydrophobicContact CG2-CD1 4.41Å; V423-F473 HydrophobicContact CB-CE1 4.16Å; V423-F473 HydrophobicContact CG2-CD1 4.03Å; V423-F473 HydrophobicContact CG2-CE1 3.96Å
424	N	91.7	Very high	90.7	Very high	50 Å²	50	42.2 Å²	42.2	27%	0.267	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.1	24	177.5	-159.8	48.2	0	0	0	113	I422 P426 K427 R428 E429 I430	I422-N424 PolarHBondContact O-N 2.69Å; N424-P426 CarbonylContact C-O 3.52Å; N424-P426 CarbonylContact O-C 3.45Å; N424-K427 WeakPolarHBondContact O-CA 3.49Å; N424-R428 PolarHBondContact OD1-N 3.43Å; N424-E429 PolarHBondContact OD1-N 3.27Å; N424-I430 PolarHBondContact OD1-N 3.29Å
425	T	92.4	Very high	90.6	Very high	34 Å²	34	42.5 Å²	42.5	21%	0.209	23%	0.233	C	C	.	.	S	Bend	trans	-131.9	106.1	173.6	-64	0	0	0	0	110.5	D402 Y406 I422 W504	D402-T425 WeakPolarHBondContact OD2-CG2 3.13Å; Y406-T425 WeakPolarHBondContact CE2-O 3.34Å; Y406-T425 PolarHBondContact OH-O 3.23Å; I422-T425 PolarHBondContact O-N 3.39Å; I422-T425 VanDerWaalsContact O-O 3.1Å; T425-W504 HydrophobicContact CG2-CZ2 4.27Å
426	P	92.5	Very high	90.5	Very high	12 Å²	12	49.1 Å²	49.1	8%	0.078	26%	0.262	C	S	.	.	S	Bend	cis	-62.4	163.5	-1.2	-28.8	40.3	0	0	0	115.1	N424 R428 M499 Y501 W504	N424-P426 CarbonylContact C-O 3.52Å; N424-P426 CarbonylContact O-C 3.45Å; P426-R428 WeakPolarHBondContact O-CG 3.33Å; P426-R428 PolarHBondContact O-N 2.99Å; P426-R428 PolarHBondContact O-NH1 3.46Å; P426-R428 VanDerWaalsContact O-NH1 3.16Å; P426-M499 HydrophobicContact CG-CB 4.48Å; P426-M499 WeakPolarHBondContact CG-O 3.01Å; P426-Y501 HydrophobicContact CG-CD2 3.68Å; P426-Y501 HydrophobicContact CG-CE2 4.26Å; P426-W504 HydrophobicContact CB-CB 3.86Å; P426-W504 HydrophobicContact CB-CD2 3.81Å; P426-W504 HydrophobicContact CB-CE3 4.06Å; P426-W504 HydrophobicContact CB-CG 3.74Å; P426-W504 HydrophobicContact CG-CB 3.69Å; P426-W504 HydrophobicContact CG-CD2 4.24Å; P426-W504 HydrophobicContact CG-CG 3.68Å
427	K	90.5	Very high	90.6	Very high	160 Å²	160	52.1 Å²	52.1	70%	0.696	27%	0.274	S	S	*	.			trans	-62.9	127.9	-172.3	-161.7	175.4	-173.8	179.8	0	111.6	N424 W504	N424-K427 WeakPolarHBondContact O-CA 3.49Å; K427-W504 HydrophobicContact CB-CH2 4.09Å; K427-W504 HydrophobicContact CB-CZ3 3.7Å
428	R	92.1	Very high	91	Very high	35 Å²	35	50.7 Å²	50.7	13%	0.132	26%	0.264	C	S	.	.			trans	-132.9	16.8	-174.4	-71.9	178.4	-165.2	99.6	-1.1	114.6	Y406 I422 V423 N424 P426 I430 A469	Y406-R428 VanDerWaalsContact OH-CZ 3.26Å; Y406-R428 PolarHBondContact OH-NH1 2.92Å; Y406-R428 PolarHBondContact OH-NH2 3.47Å; I422-R428 PolarHBondContact O-NH1 2.82Å; V423-R428 PolarHBondContact O-NH1 3.26Å; N424-R428 PolarHBondContact OD1-N 3.43Å; P426-R428 WeakPolarHBondContact O-CG 3.33Å; P426-R428 PolarHBondContact O-N 2.99Å; P426-R428 PolarHBondContact O-NH1 3.46Å; P426-R428 VanDerWaalsContact O-NH1 3.16Å; R428-I430 HydrophobicContact CB-CD1 4.34Å; R428-I430 HydrophobicContact CB-CG1 4.35Å; R428-I430 PolarHBondContact O-N 3.01Å; R428-A469 WeakPolarHBondContact O-CB 3.14Å
429	E	91.1	Very high	90.8	Very high	135 Å²	135	51.8 Å²	51.8	63%	0.631	28%	0.275	S	S	*	.	S	Bend	trans	62.3	20.6	-177	-49.4	-174.3	174	0	0	114.3	N424 G431	N424-E429 PolarHBondContact OD1-N 3.27Å; E429-G431 PolarHBondContact O-N 3.33Å
430	I	91.6	Very high	90.5	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.015	30%	0.298	C	S	.	.			trans	-89.3	92.8	173.7	-58	172.9	0	0	0	108.2	V423 N424 R428 T434 L435 A469 L470 F473	V423-I430 HydrophobicContact CG2-CB 4.34Å; V423-I430 HydrophobicContact CG2-CD1 3.69Å; V423-I430 HydrophobicContact CG2-CG2 3.88Å; N424-I430 PolarHBondContact OD1-N 3.29Å; R428-I430 HydrophobicContact CB-CD1 4.34Å; R428-I430 HydrophobicContact CB-CG1 4.35Å; R428-I430 PolarHBondContact O-N 3.01Å; I430-T434 HydrophobicContact CG2-CG2 3.97Å; I430-L435 HydrophobicContact CG2-CD2 3.81Å; I430-L435 HydrophobicContact CG2-CG 4.1Å; I430-A469 HydrophobicContact CG1-CB 3.79Å; I430-L470 HydrophobicContact CD1-CB 4.41Å; I430-L470 HydrophobicContact CD1-CD1 4.42Å; I430-F473 HydrophobicContact CD1-CB 4.09Å; I430-F473 HydrophobicContact CD1-CD1 4.24Å; I430-F473 HydrophobicContact CD1-CG 4.4Å
431	G	85.9	Confident	90.6	Very high	27 Å²	27	54.7 Å²	54.7	28%	0.278	29%	0.286	S	S	.	.			trans	-79.4	169.4	-177.2	0	0	0	0	0	114.7	E429 A433 T434 L435	E429-G431 PolarHBondContact O-N 3.33Å; G431-A433 VanDerWaalsContact C-N 3.3Å; G431-A433 PolarHBondContact O-N 2.92Å; G431-T434 VanDerWaalsContact O-CB 3.29Å; G431-T434 WeakPolarHBondContact O-CB 3.07Å; G431-T434 PolarHBondContact O-N 2.88Å; G431-L435 PolarHBondContact O-N 3.39Å
432	P	84.9	Confident	90.6	Very high	113 Å²	113	50.9 Å²	50.9	73%	0.734	27%	0.272	S	S	*	.	H	α-helix	trans	-61.5	-33.3	-177	23.5	-33.7	0	0	0	113.6	T434 L435 K436	P432-T434 VanDerWaalsContact C-N 3.3Å; P432-T434 PolarHBondContact O-N 2.59Å; P432-L435 PolarHBondContact O-N 3.23Å; P432-K436 WeakPolarHBondContact O-CB 3.4Å; P432-K436 PolarHBondContact O-N 3.49Å
433	A	87.6	Confident	90	Very high	71 Å²	71	58 Å²	58	59%	0.587	31%	0.307	S	S	*	.	H	α-helix	trans	-64.5	-34.8	175.6	0	0	0	0	0	112.6	G431 K437	G431-A433 VanDerWaalsContact C-N 3.3Å; G431-A433 PolarHBondContact O-N 2.92Å; A433-K437 WeakPolarHBondContact O-CG 3.28Å; A433-K437 PolarHBondContact O-N 3.4Å
434	T	91.6	Very high	89.8	Confident	14 Å²	14	62.4 Å²	62.4	9%	0.086	33%	0.334	C	S	.	.	H	α-helix	trans	-66.6	-47.6	174.6	-55	0	0	0	0	110.2	I430 G431 P432 K437 L438 L462 G466 L470	I430-T434 HydrophobicContact CG2-CG2 3.97Å; G431-T434 VanDerWaalsContact O-CB 3.29Å; G431-T434 WeakPolarHBondContact O-CB 3.07Å; G431-T434 PolarHBondContact O-N 2.88Å; P432-T434 VanDerWaalsContact C-N 3.3Å; P432-T434 PolarHBondContact O-N 2.59Å; T434-K437 PolarHBondContact O-N 3.36Å; T434-L438 WeakPolarHBondContact O-CB 3.32Å; T434-L438 PolarHBondContact O-N 2.94Å; T434-L462 HydrophobicContact CG2-CD1 3.95Å; T434-L462 HydrophobicContact CG2-CD2 3.63Å; T434-L462 HydrophobicContact CG2-CG 4.37Å; T434-G466 WeakPolarHBondContact CG2-O 3.48Å; T434-L470 HydrophobicContact CG2-CB 4.41Å; T434-L470 HydrophobicContact CG2-CD2 4.47Å
435	L	89.7	Confident	89.7	Confident	32 Å²	32	65.5 Å²	65.5	17%	0.168	34%	0.342	C	S	.	.	H	α-helix	trans	-64.3	-40.7	179.6	-64.7	176.6	0	0	0	112.2	L420 V423 I430 G431 P432 K437 L438 G439 M449	L420-L435 HydrophobicContact CD2-CD1 4.42Å; V423-L435 HydrophobicContact CB-CD2 4.33Å; V423-L435 HydrophobicContact CG1-CD1 3.91Å; V423-L435 HydrophobicContact CG1-CD2 3.67Å; V423-L435 HydrophobicContact CG1-CG 4.42Å; V423-L435 HydrophobicContact CG2-CD2 3.87Å; I430-L435 HydrophobicContact CG2-CD2 3.81Å; I430-L435 HydrophobicContact CG2-CG 4.1Å; G431-L435 PolarHBondContact O-N 3.39Å; P432-L435 PolarHBondContact O-N 3.23Å; L435-K437 PolarHBondContact O-N 3.21Å; L435-L438 PolarHBondContact O-N 3.44Å; L435-G439 PolarHBondContact O-N 2.94Å; L435-M449 WeakPolarHBondContact O-CE 3.39Å
436	K	87.3	Confident	89.2	Confident	140 Å²	140	70.3 Å²	70.3	61%	0.609	37%	0.367	S	S	*	.	H	α-helix	trans	-57.3	-50.6	175.5	178.7	171.1	178.5	168.4	0	111.7	P432 L438 G439 E440	P432-K436 WeakPolarHBondContact O-CB 3.4Å; P432-K436 PolarHBondContact O-N 3.49Å; K436-L438 VanDerWaalsContact C-N 3.34Å; K436-L438 PolarHBondContact O-N 3.06Å; K436-G439 PolarHBondContact O-N 3.22Å; K436-E440 WeakPolarHBondContact CE-OE1 3.42Å; K436-E440 WeakPolarHBondContact O-CG 3.38Å; K436-E440 PolarHBondContact O-N 3.13Å
437	K	90.7	Very high	89	Confident	86 Å²	86	73.1 Å²	73.1	37%	0.374	38%	0.378	S	S	.	.	H	α-helix	trans	-63.8	-39.3	178.9	-73.1	178.4	165.9	-160	0	112.5	A433 T434 L435 W441 T461 L462	A433-K437 WeakPolarHBondContact O-CG 3.28Å; A433-K437 PolarHBondContact O-N 3.4Å; T434-K437 PolarHBondContact O-N 3.36Å; L435-K437 PolarHBondContact O-N 3.21Å; K437-W441 WeakPolarHBondContact O-CB 3.5Å; K437-W441 PolarHBondContact O-N 3.4Å; K437-T461 WeakPolarHBondContact CD-O 3.48Å; K437-T461 WeakPolarHBondContact CE-O 3.44Å; K437-T461 PolarHBondContact NZ-O 3.47Å; K437-L462 HydrophobicContact CB-CB 4.35Å; K437-L462 HydrophobicContact CB-CD1 4.39Å; K437-L462 HydrophobicContact CD-CB 4.34Å; K437-L462 HydrophobicContact CD-CD1 3.9Å
438	L	93.8	Very high	89	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-62.3	-44	173.9	177.7	61.6	0	0	0	111.1	F419 T434 L435 K436 W441 A442 M449 A452 L458 L470	F419-L438 HydrophobicContact CE1-CD2 3.74Å; F419-L438 HydrophobicContact CZ-CD2 4.17Å; T434-L438 WeakPolarHBondContact O-CB 3.32Å; T434-L438 PolarHBondContact O-N 2.94Å; L435-L438 PolarHBondContact O-N 3.44Å; K436-L438 VanDerWaalsContact C-N 3.34Å; K436-L438 PolarHBondContact O-N 3.06Å; L438-W441 PolarHBondContact O-N 3.31Å; L438-A442 VanDerWaalsContact O-CB 3.26Å; L438-A442 WeakPolarHBondContact O-CB 3.44Å; L438-A442 PolarHBondContact O-N 3.35Å; L438-M449 HydrophobicContact CB-CE 4.09Å; L438-M449 HydrophobicContact CD2-CB 4.06Å; L438-M449 HydrophobicContact CD2-CE 3.96Å; L438-M449 HydrophobicContact CG-CB 4.18Å; L438-M449 HydrophobicContact CG-CE 3.91Å; L438-A452 HydrophobicContact CD1-CB 3.95Å; L438-L458 HydrophobicContact CD1-CD1 4.27Å; L438-L458 HydrophobicContact CD1-CD2 3.71Å; L438-L470 HydrophobicContact CD1-CD2 4.2Å; L438-L470 HydrophobicContact CD2-CD1 3.85Å; L438-L470 HydrophobicContact CD2-CD2 3.88Å; L438-L470 HydrophobicContact CG-CD2 4.44Å
439	G	87.5	Confident	89	Confident	23 Å²	23	64.8 Å²	64.8	24%	0.237	34%	0.343	C	S	.	.	H	α-helix	trans	-64.3	-45.2	178.4	0	0	0	0	0	112.2	L435 K436 W441 A442 M443	L435-G439 PolarHBondContact O-N 2.94Å; K436-G439 PolarHBondContact O-N 3.22Å; G439-W441 VanDerWaalsContact C-N 3.29Å; G439-W441 PolarHBondContact O-N 3.31Å; G439-A442 PolarHBondContact O-N 3.2Å; G439-M443 VanDerWaalsContact O-CB 3.25Å; G439-M443 WeakPolarHBondContact O-CB 3.34Å; G439-M443 PolarHBondContact O-N 2.97Å
440	E	88	Confident	89.2	Confident	102 Å²	102	58.8 Å²	58.8	48%	0.477	32%	0.315	S	S	.	.	H	α-helix	trans	-58.8	-41.3	174.1	-72.6	168.8	176.1	0	0	111.6	K436 T444	K436-E440 WeakPolarHBondContact CE-OE1 3.42Å; K436-E440 WeakPolarHBondContact O-CG 3.38Å; K436-E440 PolarHBondContact O-N 3.13Å; E440-T444 WeakPolarHBondContact O-CB 3.41Å; E440-T444 VanDerWaalsContact O-CG2 3.29Å; E440-T444 WeakPolarHBondContact O-CG2 3.25Å; E440-T444 PolarHBondContact O-N 2.73Å; E440-T444 PolarHBondContact O-OG1 3.36Å
441	W	93	Very high	89.3	Confident	27 Å²	27	61.2 Å²	61.2	10%	0.102	33%	0.33	C	S	.	.	H	α-helix	trans	-67.2	-46.9	175.4	-174.1	-88.9	0	0	0	112.4	K437 L438 G439 M443 T444 R445 D455 G457 L458 T461	K437-W441 WeakPolarHBondContact O-CB 3.5Å; K437-W441 PolarHBondContact O-N 3.4Å; L438-W441 PolarHBondContact O-N 3.31Å; G439-W441 VanDerWaalsContact C-N 3.29Å; G439-W441 PolarHBondContact O-N 3.31Å; W441-M443 VanDerWaalsContact C-N 3.32Å; W441-M443 PolarHBondContact O-N 2.88Å; W441-T444 WeakPolarHBondContact CA-OG1 3.46Å; W441-T444 PolarHBondContact O-N 3.34Å; W441-T444 PolarHBondContact O-OG1 3.35Å; W441-R445 VanDerWaalsContact CE3-CZ 3.47Å; W441-R445 VanDerWaalsContact CE3-NH1 3.35Å; W441-R445 WeakPolarHBondContact O-CD 3.37Å; W441-R445 PolarHBondContact O-N 3.28Å; W441-R445 VanDerWaalsContact O-N 3.12Å; W441-D455 HydrophobicContact CZ2-CB 4.33Å; W441-D455 PolarHBondContact NE1-OD2 3.43Å; W441-G457 VanDerWaalsContact CH2-CA 3.48Å; W441-G457 WeakPolarHBondContact CH2-O 3.41Å; W441-G457 VanDerWaalsContact CZ2-C 3.43Å; W441-G457 WeakPolarHBondContact CZ3-O 3.31Å; W441-L458 HydrophobicContact CB-CD1 3.79Å; W441-L458 HydrophobicContact CD2-CB 4.49Å; W441-L458 HydrophobicContact CD2-CD1 4.47Å; W441-L458 HydrophobicContact CG-CB 4.44Å; W441-L458 HydrophobicContact CG-CD1 3.91Å; W441-T461 HydrophobicContact CE3-CG2 3.98Å; W441-T461 HydrophobicContact CZ3-CG2 4.09Å
442	A	90.6	Very high	89.7	Confident	3 Å²	3	59.9 Å²	59.9	3%	0.025	32%	0.317	C	S	.	.	H	α-helix	trans	-56.4	-48.1	176.9	0	0	0	0	0	110.9	L438 G439 R445 N446 K447 M449 A452	L438-A442 VanDerWaalsContact O-CB 3.26Å; L438-A442 WeakPolarHBondContact O-CB 3.44Å; L438-A442 PolarHBondContact O-N 3.35Å; G439-A442 PolarHBondContact O-N 3.2Å; A442-R445 CarbonylContact O-C 3.53Å; A442-R445 PolarHBondContact O-N 3.49Å; A442-N446 PolarHBondContact O-N 2.85Å; A442-K447 CarbonylContact C-O 3.5Å; A442-K447 WeakPolarHBondContact CB-O 3.44Å; A442-K447 PolarHBondContact O-N 3.14Å; A442-K447 VanDerWaalsContact O-N 3.12Å; A442-M449 HydrophobicContact CB-CG 4.11Å; A442-A452 HydrophobicContact CB-CB 3.76Å
443	M	84.1	Confident	90.2	Very high	150 Å²	150	54.6 Å²	54.6	74%	0.739	28%	0.283	S	S	*	.	H	α-helix	trans	-61.1	-49.3	178.5	-174.9	60.8	178.3	0	0	112.3	G439 W441 R445 N446	G439-M443 VanDerWaalsContact O-CB 3.25Å; G439-M443 WeakPolarHBondContact O-CB 3.34Å; G439-M443 PolarHBondContact O-N 2.97Å; W441-M443 VanDerWaalsContact C-N 3.32Å; W441-M443 PolarHBondContact O-N 2.88Å; M443-R445 PolarHBondContact O-N 3.25Å; M443-N446 PolarHBondContact O-N 3.06Å; M443-N446 VanDerWaalsContact O-N 3.09Å
444	T	88.9	Confident	90.6	Very high	94 Å²	94	55 Å²	55	58%	0.577	27%	0.271	S	S	*	.	H	α-helix	trans	-63.6	-24.4	179.6	45.3	0	0	0	0	113.4	E440 W441	E440-T444 WeakPolarHBondContact O-CB 3.41Å; E440-T444 VanDerWaalsContact O-CG2 3.29Å; E440-T444 WeakPolarHBondContact O-CG2 3.25Å; E440-T444 PolarHBondContact O-N 2.73Å; E440-T444 PolarHBondContact O-OG1 3.36Å; W441-T444 WeakPolarHBondContact CA-OG1 3.46Å; W441-T444 PolarHBondContact O-N 3.34Å; W441-T444 PolarHBondContact O-OG1 3.35Å
445	R	89.4	Confident	90.7	Very high	114 Å²	114	55.9 Å²	55.9	43%	0.43	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	1.7	178.2	-77.1	70.2	-173.2	165.8	3.3	112.7	W441 A442 M443 K447	W441-R445 VanDerWaalsContact CE3-CZ 3.47Å; W441-R445 VanDerWaalsContact CE3-NH1 3.35Å; W441-R445 WeakPolarHBondContact O-CD 3.37Å; W441-R445 PolarHBondContact O-N 3.28Å; W441-R445 VanDerWaalsContact O-N 3.12Å; A442-R445 CarbonylContact O-C 3.53Å; A442-R445 PolarHBondContact O-N 3.49Å; M443-R445 PolarHBondContact O-N 3.25Å; R445-K447 VanDerWaalsContact C-N 3.32Å; R445-K447 HydrophobicContact CB-CD 4.4Å; R445-K447 HydrophobicContact CB-CG 4.22Å; R445-K447 PolarHBondContact O-N 3.37Å
446	N	83.5	Confident	90.8	Very high	136 Å²	136	62.3 Å²	62.3	73%	0.727	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	50	-179.8	-155.5	23.1	0	0	0	112.9	A442 M443	A442-N446 PolarHBondContact O-N 2.85Å; M443-N446 PolarHBondContact O-N 3.06Å; M443-N446 VanDerWaalsContact O-N 3.09Å
447	K	88	Confident	91	Very high	71 Å²	71	56.9 Å²	56.9	31%	0.309	29%	0.29	S	S	.	.	S	Bend	trans	-140.7	166.4	177.4	70.9	177.9	108.4	-175.8	0	110.4	A442 R445 T451 A452 D455	A442-K447 CarbonylContact C-O 3.5Å; A442-K447 WeakPolarHBondContact CB-O 3.44Å; A442-K447 PolarHBondContact O-N 3.14Å; A442-K447 VanDerWaalsContact O-N 3.12Å; R445-K447 VanDerWaalsContact C-N 3.32Å; R445-K447 HydrophobicContact CB-CD 4.4Å; R445-K447 HydrophobicContact CB-CG 4.22Å; R445-K447 PolarHBondContact O-N 3.37Å; K447-T451 HydrophobicContact CD-CG2 3.93Å; K447-A452 HydrophobicContact CD-CB 4.3Å; K447-A452 HydrophobicContact CG-CB 4.13Å; K447-D455 WeakPolarHBondContact CE-OD2 3.37Å; K447-D455 IonicContact NZ-OD1 3.1Å; K447-D455 PolarHBondContact NZ-OD1 3.48Å; K447-D455 IonicContact NZ-OD2 2.67Å; K447-D455 PolarHBondContact NZ-OD2 2.98Å
448	S	89.5	Confident	91.1	Very high	5 Å²	5	52.8 Å²	52.8	4%	0.035	27%	0.272	C	S	.	.			trans	-66.3	156.1	-179.7	75.1	0	0	0	0	113.6	P413 D416 F450 T451 A452	P413-S448 VanDerWaalsContact O-CB 3.3Å; P413-S448 WeakPolarHBondContact O-CB 3.49Å; P413-S448 PolarHBondContact O-OG 2.71Å; D416-S448 WeakPolarHBondContact OD1-CB 3.35Å; S448-F450 VanDerWaalsContact C-N 3.3Å; S448-F450 PolarHBondContact O-N 3Å; S448-T451 PolarHBondContact O-N 2.7Å; S448-T451 WeakPolarHBondContact OG-CB 3.5Å; S448-T451 PolarHBondContact OG-N 3.33Å; S448-T451 VanDerWaalsContact OG-N 3.12Å; S448-T451 PolarHBondContact OG-OG1 2.62Å; S448-A452 WeakPolarHBondContact O-CB 3.48Å; S448-A452 PolarHBondContact O-N 2.94Å
449	M	92.2	Very high	90.9	Very high	14 Å²	14	54.6 Å²	54.6	7%	0.069	29%	0.285	C	S	.	.	H	α-helix	trans	-59.7	-39.2	175.7	-63.4	-173.8	82.3	0	0	111.9	D416 F419 L420 L435 L438 A442 S453	D416-M449 HydrophobicContact CB-CG 4.45Å; D416-M449 VanDerWaalsContact OD1-CB 3.31Å; D416-M449 WeakPolarHBondContact OD1-CB 3.32Å; D416-M449 WeakPolarHBondContact OD1-CG 3.3Å; D416-M449 PolarHBondContact OD1-N 2.86Å; F419-M449 HydrophobicContact CD1-CB 3.61Å; F419-M449 HydrophobicContact CD1-SD 4.38Å; F419-M449 HydrophobicContact CE1-CB 3.77Å; L420-M449 HydrophobicContact CD1-SD 4.18Å; L420-M449 HydrophobicContact CD2-CE 3.96Å; L420-M449 HydrophobicContact CD2-SD 3.73Å; L420-M449 HydrophobicContact CG-SD 3.86Å; L435-M449 WeakPolarHBondContact O-CE 3.39Å; L438-M449 HydrophobicContact CB-CE 4.09Å; L438-M449 HydrophobicContact CD2-CB 4.06Å; L438-M449 HydrophobicContact CD2-CE 3.96Å; L438-M449 HydrophobicContact CG-CB 4.18Å; L438-M449 HydrophobicContact CG-CE 3.91Å; A442-M449 HydrophobicContact CB-CG 4.11Å; M449-S453 PolarHBondContact O-N 2.92Å
450	F	95.7	Very high	91.1	Very high	9 Å²	9	61.5 Å²	61.5	4%	0.039	31%	0.311	C	S	.	.	H	α-helix	trans	-65.9	-42.5	175.6	-178.9	-97.2	0	0	0	111.6	V409 P413 F419 S448 S453 F454 T474 L477 A478	V409-F450 HydrophobicContact CG1-CD2 4.12Å; V409-F450 HydrophobicContact CG1-CE2 4.5Å; V409-F450 HydrophobicContact CG1-CG 4.29Å; P413-F450 HydrophobicContact CB-CD1 3.69Å; P413-F450 HydrophobicContact CB-CE1 4.17Å; F419-F450 HydrophobicContact CD2-CB 3.97Å; F419-F450 HydrophobicContact CD2-CD2 4.02Å; F419-F450 HydrophobicContact CD2-CG 4.48Å; F419-F450 HydrophobicContact CE2-CB 4.2Å; F419-F450 AromaticContact CE2-CD2 3.84Å; F419-F450 HydrophobicContact CE2-CD2 3.84Å; F419-F450 HydrophobicContact CG-CB 4.43Å; S448-F450 VanDerWaalsContact C-N 3.3Å; S448-F450 PolarHBondContact O-N 3Å; F450-S453 PolarHBondContact O-N 3.17Å; F450-S453 PolarHBondContact O-OG 3.27Å; F450-F454 HydrophobicContact CD1-CE2 4.09Å; F450-F454 HydrophobicContact CD2-CE2 4.49Å; F450-F454 AromaticContact CE1-CE2 3.75Å; F450-F454 HydrophobicContact CE1-CE2 3.75Å; F450-F454 HydrophobicContact CE1-CZ 4.35Å; F450-F454 HydrophobicContact CE2-CE2 4.12Å; F450-F454 HydrophobicContact CE2-CZ 4.31Å; F450-F454 AromaticContact CZ-CE2 3.76Å; F450-F454 HydrophobicContact CZ-CE2 3.76Å; F450-F454 AromaticContact CZ-CZ 3.96Å; F450-F454 HydrophobicContact CZ-CZ 3.96Å; F450-F454 WeakPolarHBondContact O-CD2 3.35Å; F450-F454 VanDerWaalsContact O-CE2 3.26Å; F450-F454 WeakPolarHBondContact O-CE2 3.34Å; F450-T474 HydrophobicContact CD2-CG2 4.13Å; F450-T474 HydrophobicContact CE2-CG2 4.27Å; F450-L477 HydrophobicContact CD2-CD2 4.26Å; F450-L477 HydrophobicContact CE2-CB 4.12Å; F450-L477 HydrophobicContact CE2-CD2 3.82Å; F450-L477 HydrophobicContact CE2-CG 4.19Å; F450-A478 HydrophobicContact CZ-CB 4.27Å
451	T	93.1	Very high	91.2	Very high	54 Å²	54	59.4 Å²	59.4	33%	0.331	31%	0.306	S	S	.	.	H	α-helix	trans	-70.8	-39.8	178.5	-58	0	0	0	0	111.1	K447 S448 S453 F454	K447-T451 HydrophobicContact CD-CG2 3.93Å; S448-T451 PolarHBondContact O-N 2.7Å; S448-T451 WeakPolarHBondContact OG-CB 3.5Å; S448-T451 PolarHBondContact OG-N 3.33Å; S448-T451 VanDerWaalsContact OG-N 3.12Å; S448-T451 PolarHBondContact OG-OG1 2.62Å; T451-S453 PolarHBondContact O-N 3.27Å; T451-F454 PolarHBondContact O-N 3.29Å
452	A	94.2	Very high	91	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.1	-27.2	175.7	0	0	0	0	0	113.1	L438 A442 K447 S448 F454 D455	L438-A452 HydrophobicContact CD1-CB 3.95Å; A442-A452 HydrophobicContact CB-CB 3.76Å; K447-A452 HydrophobicContact CD-CB 4.3Å; K447-A452 HydrophobicContact CG-CB 4.13Å; S448-A452 WeakPolarHBondContact O-CB 3.48Å; S448-A452 PolarHBondContact O-N 2.94Å; A452-F454 PolarHBondContact O-N 3.26Å; A452-D455 WeakPolarHBondContact O-CB 3.33Å; A452-D455 PolarHBondContact O-N 3.13Å; A452-D455 VanDerWaalsContact O-N 3.15Å
453	S	95.8	Very high	91	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.014	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-18.3	179.9	75.5	0	0	0	0	113.6	M449 F450 T451 T474	M449-S453 PolarHBondContact O-N 2.92Å; F450-S453 PolarHBondContact O-N 3.17Å; F450-S453 PolarHBondContact O-OG 3.27Å; T451-S453 PolarHBondContact O-N 3.27Å; S453-T474 VanDerWaalsContact OG-CB 3.27Å; S453-T474 WeakPolarHBondContact OG-CB 3.45Å; S453-T474 VanDerWaalsContact OG-CG2 3.26Å; S453-T474 WeakPolarHBondContact OG-CG2 3.23Å; S453-T474 PolarHBondContact OG-OG1 3.19Å
454	F	95.5	Very high	91.3	Very high	78 Å²	78	58 Å²	58	34%	0.342	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-5.7	177.6	-60.8	-82.2	0	0	0	113.4	F450 T451 A452 M456 T474 A478	F450-F454 HydrophobicContact CD1-CE2 4.09Å; F450-F454 HydrophobicContact CD2-CE2 4.49Å; F450-F454 AromaticContact CE1-CE2 3.75Å; F450-F454 HydrophobicContact CE1-CE2 3.75Å; F450-F454 HydrophobicContact CE1-CZ 4.35Å; F450-F454 HydrophobicContact CE2-CE2 4.12Å; F450-F454 HydrophobicContact CE2-CZ 4.31Å; F450-F454 AromaticContact CZ-CE2 3.76Å; F450-F454 HydrophobicContact CZ-CE2 3.76Å; F450-F454 AromaticContact CZ-CZ 3.96Å; F450-F454 HydrophobicContact CZ-CZ 3.96Å; F450-F454 WeakPolarHBondContact O-CD2 3.35Å; F450-F454 VanDerWaalsContact O-CE2 3.26Å; F450-F454 WeakPolarHBondContact O-CE2 3.34Å; T451-F454 PolarHBondContact O-N 3.29Å; A452-F454 PolarHBondContact O-N 3.26Å; F454-M456 PolarHBondContact O-N 2.98Å; F454-T474 WeakPolarHBondContact CZ-O 3.49Å; F454-A478 HydrophobicContact CE1-CB 4.33Å; F454-A478 HydrophobicContact CZ-CB 3.86Å
455	D	94.5	Very high	91.5	Very high	34 Å²	34	62.8 Å²	62.8	18%	0.182	33%	0.329	C	S	.	.			trans	-67.6	123.6	179.6	-83.1	10.3	0	0	0	110.8	W441 K447 A452 G457 L458	W441-D455 HydrophobicContact CZ2-CB 4.33Å; W441-D455 PolarHBondContact NE1-OD2 3.43Å; K447-D455 WeakPolarHBondContact CE-OD2 3.37Å; K447-D455 IonicContact NZ-OD1 3.1Å; K447-D455 PolarHBondContact NZ-OD1 3.48Å; K447-D455 IonicContact NZ-OD2 2.67Å; K447-D455 PolarHBondContact NZ-OD2 2.98Å; A452-D455 WeakPolarHBondContact O-CB 3.33Å; A452-D455 PolarHBondContact O-N 3.13Å; A452-D455 VanDerWaalsContact O-N 3.15Å; D455-G457 PolarHBondContact O-N 2.84Å; D455-G457 VanDerWaalsContact O-N 3.1Å; D455-L458 HydrophobicContact CB-CB 4.41Å; D455-L458 VanDerWaalsContact O-CB 3.28Å; D455-L458 WeakPolarHBondContact O-CB 3.34Å; D455-L458 PolarHBondContact O-N 3.23Å
456	M	91	Very high	91.6	Very high	167 Å²	167	58 Å²	58	82%	0.823	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-34	173.7	-168.8	-166.2	-72.2	0	0	111.7	F454 L458 S459	F454-M456 PolarHBondContact O-N 2.98Å; M456-L458 VanDerWaalsContact C-N 3.29Å; M456-L458 PolarHBondContact O-N 3.01Å; M456-S459 WeakPolarHBondContact O-CB 3.27Å; M456-S459 PolarHBondContact O-N 3.48Å; M456-S459 PolarHBondContact O-OG 3.22Å
457	G	91.8	Very high	92.1	Very high	25 Å²	25	54.3 Å²	54.3	26%	0.258	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-23.4	179	0	0	0	0	0	114.8	W441 D455 S459 Q460	W441-G457 VanDerWaalsContact CH2-CA 3.48Å; W441-G457 WeakPolarHBondContact CH2-O 3.41Å; W441-G457 VanDerWaalsContact CZ2-C 3.43Å; W441-G457 WeakPolarHBondContact CZ3-O 3.31Å; D455-G457 PolarHBondContact O-N 2.84Å; D455-G457 VanDerWaalsContact O-N 3.1Å; G457-S459 PolarHBondContact O-N 2.97Å; G457-Q460 WeakPolarHBondContact O-CB 3.36Å; G457-Q460 PolarHBondContact O-N 3.49Å; G457-Q460 VanDerWaalsContact O-N 3.15Å
458	L	92.5	Very high	92.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.5	-36	177.7	177	64.1	0	0	0	111.4	L438 W441 D455 M456 Q460 T461 L462 Y467 L470	L438-L458 HydrophobicContact CD1-CD1 4.27Å; L438-L458 HydrophobicContact CD1-CD2 3.71Å; W441-L458 HydrophobicContact CB-CD1 3.79Å; W441-L458 HydrophobicContact CD2-CB 4.49Å; W441-L458 HydrophobicContact CD2-CD1 4.47Å; W441-L458 HydrophobicContact CG-CB 4.44Å; W441-L458 HydrophobicContact CG-CD1 3.91Å; D455-L458 HydrophobicContact CB-CB 4.41Å; D455-L458 VanDerWaalsContact O-CB 3.28Å; D455-L458 WeakPolarHBondContact O-CB 3.34Å; D455-L458 PolarHBondContact O-N 3.23Å; M456-L458 VanDerWaalsContact C-N 3.29Å; M456-L458 PolarHBondContact O-N 3.01Å; L458-Q460 PolarHBondContact O-N 3.34Å; L458-T461 PolarHBondContact O-N 2.75Å; L458-T461 PolarHBondContact O-OG1 3.36Å; L458-L462 HydrophobicContact CD1-CB 4.13Å; L458-L462 HydrophobicContact CD1-CD2 4.38Å; L458-L462 HydrophobicContact CD2-CD2 4.44Å; L458-L462 HydrophobicContact CG-CB 4.34Å; L458-L462 HydrophobicContact CG-CD2 4.45Å; L458-L462 PolarHBondContact O-N 3.39Å; L458-Y467 HydrophobicContact CD2-CE2 4.18Å; L458-Y467 HydrophobicContact CG-CE2 4.17Å; L458-L470 HydrophobicContact CD2-CD2 4.07Å
459	S	91.4	Very high	92.8	Very high	39 Å²	39	56.6 Å²	56.6	27%	0.273	30%	0.303	S	S	.	.	H	α-helix	trans	-57.9	-22.1	179.6	68.8	0	0	0	0	114.2	M456 G457 L462	M456-S459 WeakPolarHBondContact O-CB 3.27Å; M456-S459 PolarHBondContact O-N 3.48Å; M456-S459 PolarHBondContact O-OG 3.22Å; G457-S459 PolarHBondContact O-N 2.97Å; S459-L462 WeakPolarHBondContact CA-O 3.41Å
460	Q	90.4	Very high	93	Very high	167 Å²	167	55.9 Å²	55.9	78%	0.78	30%	0.3	S	S	*	.	H	α-helix	trans	-76.4	-29.6	176.3	-60.1	-61.8	-40.7	0	0	112.2	G457 L458	G457-Q460 WeakPolarHBondContact O-CB 3.36Å; G457-Q460 PolarHBondContact O-N 3.49Å; G457-Q460 VanDerWaalsContact O-N 3.15Å; L458-Q460 PolarHBondContact O-N 3.34Å
461	T	89.5	Confident	93	Very high	59 Å²	59	56.8 Å²	56.8	36%	0.362	31%	0.306	S	S	.	.	H	α-helix	trans	-96.9	-31.4	-179.2	54.9	0	0	0	0	113.1	K437 W441 L458	K437-T461 WeakPolarHBondContact CD-O 3.48Å; K437-T461 WeakPolarHBondContact CE-O 3.44Å; K437-T461 PolarHBondContact NZ-O 3.47Å; W441-T461 HydrophobicContact CE3-CG2 3.98Å; W441-T461 HydrophobicContact CZ3-CG2 4.09Å; L458-T461 PolarHBondContact O-N 2.75Å; L458-T461 PolarHBondContact O-OG1 3.36Å
462	L	90.3	Very high	93.1	Very high	6 Å²	6	61.3 Å²	61.3	3%	0.031	32%	0.317	C	S	.	.	S	Bend	trans	-129	118.4	-175.5	177.4	65.6	0	0	0	109.3	T434 K437 L458 S459 Y467 L470	T434-L462 HydrophobicContact CG2-CD1 3.95Å; T434-L462 HydrophobicContact CG2-CD2 3.63Å; T434-L462 HydrophobicContact CG2-CG 4.37Å; K437-L462 HydrophobicContact CB-CB 4.35Å; K437-L462 HydrophobicContact CB-CD1 4.39Å; K437-L462 HydrophobicContact CD-CB 4.34Å; K437-L462 HydrophobicContact CD-CD1 3.9Å; L458-L462 HydrophobicContact CD1-CB 4.13Å; L458-L462 HydrophobicContact CD1-CD2 4.38Å; L458-L462 HydrophobicContact CD2-CD2 4.44Å; L458-L462 HydrophobicContact CG-CB 4.34Å; L458-L462 HydrophobicContact CG-CD2 4.45Å; L458-L462 PolarHBondContact O-N 3.39Å; S459-L462 WeakPolarHBondContact CA-O 3.41Å; L462-Y467 HydrophobicContact CB-CD2 4.4Å; L462-Y467 HydrophobicContact CD2-CD2 4.16Å; L462-Y467 HydrophobicContact CG-CD2 4.13Å; L462-Y467 VanDerWaalsContact O-CD2 3.24Å; L462-Y467 WeakPolarHBondContact O-CD2 3.44Å; L462-L470 HydrophobicContact CD2-CD2 3.83Å
463	S	88.9	Confident	93.3	Very high	93 Å²	93	61.5 Å²	61.5	65%	0.65	32%	0.318	S	S	*	.			trans	-138.3	172.7	-179.1	64.7	0	0	0	0	111.6
464	G	91.7	Very high	93.3	Very high	50 Å²	50	61.4 Å²	61.4	52%	0.515	32%	0.317	S	S	.	.	S	Bend	trans	77.1	-157.4	179.6	0	0	0	0	0	113.9	G466 Y467 E468	G464-G466 VanDerWaalsContact C-N 3.29Å; G464-G466 PolarHBondContact O-N 3.07Å; G464-Y467 WeakPolarHBondContact O-CB 3.29Å; G464-Y467 PolarHBondContact O-N 2.75Å; G464-E468 PolarHBondContact O-N 3.39Å; G464-E468 VanDerWaalsContact O-N 3.11Å
465	R	92.8	Very high	93.4	Very high	195 Å²	195	62.6 Å²	62.6	74%	0.736	32%	0.324	S	S	*	.	H	α-helix	trans	-55.3	-39.4	-172.3	-74	-170.7	-76.5	152.5	-6.5	114.1	Y467 E468 A469	R465-Y467 VanDerWaalsContact C-N 3.33Å; R465-Y467 PolarHBondContact O-N 2.81Å; R465-E468 PolarHBondContact O-N 2.7Å; R465-A469 WeakPolarHBondContact O-CB 3.13Å; R465-A469 PolarHBondContact O-N 2.9Å
466	G	91.7	Very high	93.5	Very high	13 Å²	13	64 Å²	64	13%	0.134	33%	0.326	C	S	.	.	H	α-helix	trans	-63.5	-38.8	178.5	0	0	0	0	0	112.8	T434 G464 L470	T434-G466 WeakPolarHBondContact CG2-O 3.48Å; G464-G466 VanDerWaalsContact C-N 3.29Å; G464-G466 PolarHBondContact O-N 3.07Å; G466-L470 VanDerWaalsContact O-CB 3.31Å; G466-L470 WeakPolarHBondContact O-CB 3.45Å; G466-L470 PolarHBondContact O-N 3.44Å; G466-L470 VanDerWaalsContact O-N 3.12Å
467	Y	94.7	Very high	93.8	Very high	60 Å²	60	56.1 Å²	56.1	24%	0.235	29%	0.288	C	S	.	.	H	α-helix	trans	-67.9	-46.1	175.3	-175.9	-102.1	0	0	0	111.4	L458 L462 G464 R465 A469 L470 T471	L458-Y467 HydrophobicContact CD2-CE2 4.18Å; L458-Y467 HydrophobicContact CG-CE2 4.17Å; L462-Y467 HydrophobicContact CB-CD2 4.4Å; L462-Y467 HydrophobicContact CD2-CD2 4.16Å; L462-Y467 HydrophobicContact CG-CD2 4.13Å; L462-Y467 VanDerWaalsContact O-CD2 3.24Å; L462-Y467 WeakPolarHBondContact O-CD2 3.44Å; G464-Y467 WeakPolarHBondContact O-CB 3.29Å; G464-Y467 PolarHBondContact O-N 2.75Å; R465-Y467 VanDerWaalsContact C-N 3.33Å; R465-Y467 PolarHBondContact O-N 2.81Å; Y467-A469 PolarHBondContact O-N 2.82Å; Y467-L470 PolarHBondContact O-N 3.22Å; Y467-T471 HydrophobicContact CD1-CG2 4.09Å; Y467-T471 HydrophobicContact CD2-CG2 4.33Å; Y467-T471 HydrophobicContact CE1-CG2 3.68Å; Y467-T471 HydrophobicContact CE2-CG2 3.95Å; Y467-T471 HydrophobicContact CG-CG2 4.4Å; Y467-T471 WeakPolarHBondContact O-CG2 3.44Å; Y467-T471 PolarHBondContact O-N 3.25Å; Y467-T471 PolarHBondContact O-OG1 3.47Å; Y467-T471 VanDerWaalsContact O-OG1 3.09Å
468	E	95.5	Very high	94	Very high	119 Å²	119	55.3 Å²	55.3	56%	0.556	28%	0.278	S	S	*	.	H	α-helix	trans	-60.9	-43.8	178.7	-170.9	-170.4	165.3	0	0	112.2	G464 R465 T471 R472	G464-E468 PolarHBondContact O-N 3.39Å; G464-E468 VanDerWaalsContact O-N 3.11Å; R465-E468 PolarHBondContact O-N 2.7Å; E468-T471 PolarHBondContact O-OG1 3.24Å; E468-T471 VanDerWaalsContact O-OG1 3.14Å; E468-R472 VanDerWaalsContact O-CB 3.25Å; E468-R472 WeakPolarHBondContact O-CB 3.5Å; E468-R472 PolarHBondContact O-N 2.99Å
469	A	95.7	Very high	94.2	Very high	4 Å²	4	60.3 Å²	60.3	3%	0.033	30%	0.301	C	S	.	.	H	α-helix	trans	-62.8	-43.4	176.1	0	0	0	0	0	112	R428 I430 R465 Y467 F473	R428-A469 WeakPolarHBondContact O-CB 3.14Å; I430-A469 HydrophobicContact CG1-CB 3.79Å; R465-A469 WeakPolarHBondContact O-CB 3.13Å; R465-A469 PolarHBondContact O-N 2.9Å; Y467-A469 PolarHBondContact O-N 2.82Å; A469-F473 WeakPolarHBondContact O-CB 3.2Å; A469-F473 PolarHBondContact O-N 3.39Å
470	L	96.2	Very high	94.5	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.8	-48.6	178.1	176.4	67.1	0	0	0	112	F419 V423 I430 T434 L438 L458 L462 G466 Y467 F473 T474	F419-L470 HydrophobicContact CZ-CD1 4.1Å; V423-L470 HydrophobicContact CG2-CD1 4.41Å; I430-L470 HydrophobicContact CD1-CB 4.41Å; I430-L470 HydrophobicContact CD1-CD1 4.42Å; T434-L470 HydrophobicContact CG2-CB 4.41Å; T434-L470 HydrophobicContact CG2-CD2 4.47Å; L438-L470 HydrophobicContact CD1-CD2 4.2Å; L438-L470 HydrophobicContact CD2-CD1 3.85Å; L438-L470 HydrophobicContact CD2-CD2 3.88Å; L438-L470 HydrophobicContact CG-CD2 4.44Å; L458-L470 HydrophobicContact CD2-CD2 4.07Å; L462-L470 HydrophobicContact CD2-CD2 3.83Å; G466-L470 VanDerWaalsContact O-CB 3.31Å; G466-L470 WeakPolarHBondContact O-CB 3.45Å; G466-L470 PolarHBondContact O-N 3.44Å; G466-L470 VanDerWaalsContact O-N 3.12Å; Y467-L470 PolarHBondContact O-N 3.22Å; L470-F473 PolarHBondContact O-N 3.33Å; L470-T474 HydrophobicContact CD1-CG2 4Å; L470-T474 WeakPolarHBondContact O-CB 3.47Å; L470-T474 WeakPolarHBondContact O-CG2 3.4Å; L470-T474 PolarHBondContact O-N 3Å; L470-T474 PolarHBondContact O-OG1 3.12Å
471	T	95.9	Very high	94.7	Very high	27 Å²	27	53.2 Å²	53.2	17%	0.166	26%	0.264	C	S	.	.	H	α-helix	trans	-66.3	-43.4	-179.5	54.5	0	0	0	0	110.8	Y467 E468 F473 T474 H475	Y467-T471 HydrophobicContact CD1-CG2 4.09Å; Y467-T471 HydrophobicContact CD2-CG2 4.33Å; Y467-T471 HydrophobicContact CE1-CG2 3.68Å; Y467-T471 HydrophobicContact CE2-CG2 3.95Å; Y467-T471 HydrophobicContact CG-CG2 4.4Å; Y467-T471 WeakPolarHBondContact O-CG2 3.44Å; Y467-T471 PolarHBondContact O-N 3.25Å; Y467-T471 PolarHBondContact O-OG1 3.47Å; Y467-T471 VanDerWaalsContact O-OG1 3.09Å; E468-T471 PolarHBondContact O-OG1 3.24Å; E468-T471 VanDerWaalsContact O-OG1 3.14Å; T471-F473 VanDerWaalsContact C-N 3.31Å; T471-F473 PolarHBondContact O-N 2.67Å; T471-T474 WeakPolarHBondContact CA-OG1 3.36Å; T471-T474 PolarHBondContact O-N 2.8Å; T471-T474 PolarHBondContact O-OG1 2.64Å; T471-H475 VanDerWaalsContact O-CB 3.27Å; T471-H475 WeakPolarHBondContact O-CB 3.32Å; T471-H475 PolarHBondContact O-CD2 2.61Å; T471-H475 PolarHBondContact O-N 3.19Å
472	R	96	Very high	95	Very high	149 Å²	149	55.3 Å²	55.3	56%	0.562	27%	0.265	S	S	*	.	H	α-helix	trans	-55.7	-46.8	174.7	-176.5	178.9	64.5	-155.9	-1.6	111.8	E468 W476	E468-R472 VanDerWaalsContact O-CB 3.25Å; E468-R472 WeakPolarHBondContact O-CB 3.5Å; E468-R472 PolarHBondContact O-N 2.99Å; R472-W476 WeakPolarHBondContact O-CB 3.48Å; R472-W476 PolarHBondContact O-N 3.47Å; R472-W476 VanDerWaalsContact O-N 3.12Å
473	F	96.7	Very high	95.3	Very high	5 Å²	5	57 Å²	57	2%	0.022	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-50.7	178.5	167.8	-117.1	0	0	0	112.3	Y406 F419 I422 V423 I430 A469 L470 T471 W476 L477	Y406-F473 HydrophobicContact CE1-CE2 4.06Å; Y406-F473 HydrophobicContact CE1-CZ 4.37Å; F419-F473 HydrophobicContact CD2-CE1 4.32Å; F419-F473 HydrophobicContact CE2-CD1 4.31Å; F419-F473 AromaticContact CE2-CE1 3.62Å; F419-F473 HydrophobicContact CE2-CE1 3.62Å; F419-F473 HydrophobicContact CZ-CE1 4.25Å; I422-F473 HydrophobicContact CD1-CZ 4.09Å; I422-F473 HydrophobicContact CG1-CZ 4.05Å; V423-F473 HydrophobicContact CB-CE1 4.16Å; V423-F473 HydrophobicContact CG2-CD1 4.03Å; V423-F473 HydrophobicContact CG2-CE1 3.96Å; I430-F473 HydrophobicContact CD1-CB 4.09Å; I430-F473 HydrophobicContact CD1-CD1 4.24Å; I430-F473 HydrophobicContact CD1-CG 4.4Å; A469-F473 WeakPolarHBondContact O-CB 3.2Å; A469-F473 PolarHBondContact O-N 3.39Å; L470-F473 PolarHBondContact O-N 3.33Å; T471-F473 VanDerWaalsContact C-N 3.31Å; T471-F473 PolarHBondContact O-N 2.67Å; F473-W476 AromaticContact CD2-CE3 3.96Å; F473-W476 HydrophobicContact CD2-CE3 3.96Å; F473-W476 HydrophobicContact CD2-CZ3 4.15Å; F473-W476 HydrophobicContact CE2-CE3 4.13Å; F473-W476 AromaticContact CE2-CZ3 3.92Å; F473-W476 HydrophobicContact CE2-CZ3 3.92Å; F473-W476 PolarHBondContact O-N 3.22Å; F473-L477 HydrophobicContact CE2-CD2 4.46Å; F473-L477 HydrophobicContact CZ-CD2 3.96Å; F473-L477 WeakPolarHBondContact O-CB 3.41Å; F473-L477 PolarHBondContact O-N 3.25Å
474	T	96.8	Very high	95.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-70.4	-36	-174.5	50.7	0	0	0	0	112.2	F419 F450 S453 F454 L470 T471 L477 A478	F419-T474 HydrophobicContact CE2-CG2 3.91Å; F419-T474 HydrophobicContact CZ-CG2 4.04Å; F450-T474 HydrophobicContact CD2-CG2 4.13Å; F450-T474 HydrophobicContact CE2-CG2 4.27Å; S453-T474 VanDerWaalsContact OG-CB 3.27Å; S453-T474 WeakPolarHBondContact OG-CB 3.45Å; S453-T474 VanDerWaalsContact OG-CG2 3.26Å; S453-T474 WeakPolarHBondContact OG-CG2 3.23Å; S453-T474 PolarHBondContact OG-OG1 3.19Å; F454-T474 WeakPolarHBondContact CZ-O 3.49Å; L470-T474 HydrophobicContact CD1-CG2 4Å; L470-T474 WeakPolarHBondContact O-CB 3.47Å; L470-T474 WeakPolarHBondContact O-CG2 3.4Å; L470-T474 PolarHBondContact O-N 3Å; L470-T474 PolarHBondContact O-OG1 3.12Å; T471-T474 WeakPolarHBondContact CA-OG1 3.36Å; T471-T474 PolarHBondContact O-N 2.8Å; T471-T474 PolarHBondContact O-OG1 2.64Å; T474-L477 PolarHBondContact O-N 3.14Å; T474-A478 WeakPolarHBondContact O-CB 3.46Å; T474-A478 PolarHBondContact O-N 3.03Å
475	H	96.8	Very high	95.5	Very high	103 Å²	103	58.4 Å²	58.4	48%	0.477	26%	0.259	S	S	.	.	H	α-helix	trans	-63.9	-44.6	170.9	-85.8	-82.2	0	0	0	112.7	T471 L477 A478 E479	T471-H475 VanDerWaalsContact O-CB 3.27Å; T471-H475 WeakPolarHBondContact O-CB 3.32Å; T471-H475 PolarHBondContact O-CD2 2.61Å; T471-H475 PolarHBondContact O-N 3.19Å; H475-L477 VanDerWaalsContact C-N 3.33Å; H475-L477 PolarHBondContact O-N 2.94Å; H475-A478 PolarHBondContact O-N 2.76Å; H475-E479 PolarHBondContact O-N 2.85Å
476	W	97.1	Very high	95.5	Very high	64 Å²	64	57.9 Å²	57.9	24%	0.242	26%	0.257	C	S	.	.	H	α-helix	trans	-58.6	-46.8	174.5	166.5	70.5	0	0	0	111	Y406 R472 F473 A478 E479 I480 L495 M499	Y406-W476 HydrophobicContact CE1-CH2 4.37Å; Y406-W476 HydrophobicContact CE1-CZ3 4.1Å; R472-W476 WeakPolarHBondContact O-CB 3.48Å; R472-W476 PolarHBondContact O-N 3.47Å; R472-W476 VanDerWaalsContact O-N 3.12Å; F473-W476 AromaticContact CD2-CE3 3.96Å; F473-W476 HydrophobicContact CD2-CE3 3.96Å; F473-W476 HydrophobicContact CD2-CZ3 4.15Å; F473-W476 HydrophobicContact CE2-CE3 4.13Å; F473-W476 AromaticContact CE2-CZ3 3.92Å; F473-W476 HydrophobicContact CE2-CZ3 3.92Å; F473-W476 PolarHBondContact O-N 3.22Å; W476-A478 VanDerWaalsContact C-N 3.31Å; W476-A478 PolarHBondContact O-N 2.95Å; W476-E479 PolarHBondContact O-N 3.2Å; W476-E479 VanDerWaalsContact O-N 3.16Å; W476-I480 HydrophobicContact CZ2-CG1 4.32Å; W476-I480 WeakPolarHBondContact O-CG1 3.4Å; W476-I480 PolarHBondContact O-N 2.85Å; W476-I480 VanDerWaalsContact O-N 3.09Å; W476-L495 HydrophobicContact CH2-CD1 3.5Å; W476-L495 VanDerWaalsContact CH2-CD1 3.5Å; W476-L495 HydrophobicContact CH2-CG 4.5Å; W476-L495 HydrophobicContact CZ2-CD1 4.03Å; W476-L495 HydrophobicContact CZ3-CD1 4.23Å; W476-M499 HydrophobicContact CH2-CB 3.76Å; W476-M499 HydrophobicContact CZ2-CB 4.32Å
477	L	96.7	Very high	95.7	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-64.9	-35.2	179.5	-167.1	63.4	0	0	0	112.4	Y406 V409 L410 I422 F450 F473 T474 H475 I480 Q481 L495	Y406-L477 HydrophobicContact CD1-CD1 4.03Å; V409-L477 HydrophobicContact CB-CD2 4.32Å; V409-L477 HydrophobicContact CG1-CD2 3.61Å; L410-L477 HydrophobicContact CD2-CD1 3.72Å; L410-L477 HydrophobicContact CD2-CG 4.18Å; L410-L477 HydrophobicContact CG-CD1 4.28Å; I422-L477 HydrophobicContact CD1-CD2 4.01Å; F450-L477 HydrophobicContact CD2-CD2 4.26Å; F450-L477 HydrophobicContact CE2-CB 4.12Å; F450-L477 HydrophobicContact CE2-CD2 3.82Å; F450-L477 HydrophobicContact CE2-CG 4.19Å; F473-L477 HydrophobicContact CE2-CD2 4.46Å; F473-L477 HydrophobicContact CZ-CD2 3.96Å; F473-L477 WeakPolarHBondContact O-CB 3.41Å; F473-L477 PolarHBondContact O-N 3.25Å; T474-L477 PolarHBondContact O-N 3.14Å; H475-L477 VanDerWaalsContact C-N 3.33Å; H475-L477 PolarHBondContact O-N 2.94Å; L477-I480 PolarHBondContact O-N 3.46Å; L477-Q481 WeakPolarHBondContact O-CB 3.44Å; L477-Q481 PolarHBondContact O-N 3.08Å; L477-L495 HydrophobicContact CD1-CD1 4Å
478	A	96.5	Very high	95.6	Very high	7 Å²	7	61.8 Å²	61.8	6%	0.058	28%	0.277	C	S	.	.	H	α-helix	trans	-67.4	-32.8	174	0	0	0	0	0	113.2	F450 F454 T474 H475 W476 Q481 R482	F450-A478 HydrophobicContact CZ-CB 4.27Å; F454-A478 HydrophobicContact CE1-CB 4.33Å; F454-A478 HydrophobicContact CZ-CB 3.86Å; T474-A478 WeakPolarHBondContact O-CB 3.46Å; T474-A478 PolarHBondContact O-N 3.03Å; H475-A478 PolarHBondContact O-N 2.76Å; W476-A478 VanDerWaalsContact C-N 3.31Å; W476-A478 PolarHBondContact O-N 2.95Å; A478-Q481 PolarHBondContact O-N 3.4Å; A478-R482 PolarHBondContact O-N 3.31Å
479	E	97	Very high	95.5	Very high	105 Å²	105	58.1 Å²	58.1	49%	0.491	26%	0.261	S	S	.	.	H	α-helix	trans	-66.7	-44.4	171.1	-71.1	-63.7	170.7	0	0	111.4	H475 W476 Q481 R482 L483	H475-E479 PolarHBondContact O-N 2.85Å; W476-E479 PolarHBondContact O-N 3.2Å; W476-E479 VanDerWaalsContact O-N 3.16Å; E479-Q481 VanDerWaalsContact C-N 3.25Å; E479-Q481 PolarHBondContact O-N 2.76Å; E479-R482 PolarHBondContact O-N 2.76Å; E479-R482 IonicContact OE1-CZ 2.67Å; E479-R482 IonicContact OE1-NE 2.69Å; E479-R482 IonicContact OE1-NH2 2.89Å; E479-R482 PolarHBondContact OE1-NH2 2.91Å; E479-R482 IonicContact OE2-CZ 2.65Å; E479-R482 IonicContact OE2-NE 3.4Å; E479-R482 PolarHBondContact OE2-NE 3.35Å; E479-R482 IonicContact OE2-NH2 3.21Å; E479-R482 PolarHBondContact OE2-NH2 3.41Å; E479-R482 VanDerWaalsContact OE2-NH2 3.1Å; E479-L483 PolarHBondContact O-N 2.86Å
480	I	97.1	Very high	95.4	Very high	11 Å²	11	59 Å²	59	6%	0.056	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-39.1	174.9	-61.3	-57	0	0	0	110.6	L410 W476 L477 L483 A484 A491 D494 L495	L410-I480 HydrophobicContact CD1-CG2 3.92Å; L410-I480 HydrophobicContact CD2-CB 4.16Å; L410-I480 HydrophobicContact CD2-CG2 3.8Å; W476-I480 HydrophobicContact CZ2-CG1 4.32Å; W476-I480 WeakPolarHBondContact O-CG1 3.4Å; W476-I480 PolarHBondContact O-N 2.85Å; W476-I480 VanDerWaalsContact O-N 3.09Å; L477-I480 PolarHBondContact O-N 3.46Å; I480-L483 PolarHBondContact O-N 3.12Å; I480-A484 WeakPolarHBondContact O-CB 3.31Å; I480-A484 PolarHBondContact O-N 3Å; I480-A491 HydrophobicContact CG2-CB 4.2Å; I480-D494 HydrophobicContact CD1-CB 3.9Å; I480-L495 HydrophobicContact CG2-CB 4.11Å; I480-L495 HydrophobicContact CG2-CD1 4.34Å
481	Q	95.5	Very high	95.4	Very high	47 Å²	47	59 Å²	59	22%	0.22	27%	0.269	C	S	.	.	H	α-helix	trans	-60.9	-47.1	174.8	-177	176.5	49.8	0	0	112.1	L410 L477 A478 E479 L483 A484 E485	L410-Q481 HydrophobicContact CD2-CB 3.93Å; L410-Q481 PolarHBondContact O-NE2 3.13Å; L477-Q481 WeakPolarHBondContact O-CB 3.44Å; L477-Q481 PolarHBondContact O-N 3.08Å; A478-Q481 PolarHBondContact O-N 3.4Å; E479-Q481 VanDerWaalsContact C-N 3.25Å; E479-Q481 PolarHBondContact O-N 2.76Å; Q481-L483 PolarHBondContact O-N 2.95Å; Q481-A484 WeakPolarHBondContact O-CB 3.45Å; Q481-A484 PolarHBondContact O-N 3.11Å; Q481-A484 VanDerWaalsContact O-N 3.13Å; Q481-E485 PolarHBondContact O-N 3.04Å
482	R	95.7	Very high	95.3	Very high	102 Å²	102	57.8 Å²	57.8	39%	0.385	26%	0.261	S	S	.	.	H	α-helix	trans	-62.5	-30.5	175.5	-78.6	-169.3	-76.2	-91.8	12.1	113.6	A478 E479 R486	A478-R482 PolarHBondContact O-N 3.31Å; E479-R482 PolarHBondContact O-N 2.76Å; E479-R482 IonicContact OE1-CZ 2.67Å; E479-R482 IonicContact OE1-NE 2.69Å; E479-R482 IonicContact OE1-NH2 2.89Å; E479-R482 PolarHBondContact OE1-NH2 2.91Å; E479-R482 IonicContact OE2-CZ 2.65Å; E479-R482 IonicContact OE2-NE 3.4Å; E479-R482 PolarHBondContact OE2-NE 3.35Å; E479-R482 IonicContact OE2-NH2 3.21Å; E479-R482 PolarHBondContact OE2-NH2 3.41Å; E479-R482 VanDerWaalsContact OE2-NH2 3.1Å; R482-R486 PolarHBondContact O-NE 2.99Å; R482-R486 PolarHBondContact O-NH2 3.44Å
483	L	96	Very high	95.1	Very high	42 Å²	42	56.7 Å²	56.7	22%	0.22	26%	0.257	C	S	.	.	H	α-helix	trans	-73.7	-40.9	173.8	-176.7	58.1	0	0	0	110.6	E479 I480 Q481 E485 R486 E487 A491 D494	E479-L483 PolarHBondContact O-N 2.86Å; I480-L483 PolarHBondContact O-N 3.12Å; Q481-L483 PolarHBondContact O-N 2.95Å; L483-E485 PolarHBondContact O-N 3.33Å; L483-R486 PolarHBondContact O-N 3.36Å; L483-E487 HydrophobicContact CD1-CB 4.22Å; L483-E487 PolarHBondContact O-N 3.29Å; L483-A491 HydrophobicContact CB-CB 4.06Å; L483-A491 HydrophobicContact CD2-CB 4.18Å; L483-A491 HydrophobicContact CG-CB 3.88Å; L483-D494 WeakPolarHBondContact CD2-OD2 3.41Å
484	A	95	Very high	95	Very high	12 Å²	12	60 Å²	60	10%	0.099	28%	0.275	C	S	.	.	H	α-helix	trans	-62.6	-27.6	-178.3	0	0	0	0	0	113.5	I480 Q481 R486 P488 A491 L544	I480-A484 WeakPolarHBondContact O-CB 3.31Å; I480-A484 PolarHBondContact O-N 3Å; Q481-A484 WeakPolarHBondContact O-CB 3.45Å; Q481-A484 PolarHBondContact O-N 3.11Å; Q481-A484 VanDerWaalsContact O-N 3.13Å; A484-R486 PolarHBondContact O-N 2.96Å; A484-P488 WeakPolarHBondContact O-CG 3.47Å; A484-A491 VanDerWaalsContact CA-CB 3.44Å; A484-A491 HydrophobicContact CB-CB 3.62Å; A484-L544 HydrophobicContact CB-CD2 4.11Å
485	E	91	Very high	95	Very high	160 Å²	160	60 Å²	60	75%	0.748	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-27.4	173.4	-70	-175	162.8	0	0	113.3	Q481 L483	Q481-E485 PolarHBondContact O-N 3.04Å; L483-E485 PolarHBondContact O-N 3.33Å
486	R	92.6	Very high	94.7	Very high	185 Å²	185	55.7 Å²	55.7	70%	0.698	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	-45.1	-175.1	-69.5	175.9	-95	-167.7	-5.6	112.1	R482 L483 A484	R482-R486 PolarHBondContact O-NE 2.99Å; R482-R486 PolarHBondContact O-NH2 3.44Å; L483-R486 PolarHBondContact O-N 3.36Å; A484-R486 PolarHBondContact O-N 2.96Å
487	E	94.9	Very high	94.5	Very high	117 Å²	117	59.1 Å²	59.1	55%	0.547	27%	0.274	S	S	.	.			trans	-135	75.2	-173.5	-61.9	-176.9	-118.7	0	0	110.3	L483 I489 A490 A491	L483-E487 HydrophobicContact CD1-CB 4.22Å; L483-E487 PolarHBondContact O-N 3.29Å; E487-I489 VanDerWaalsContact C-N 3.3Å; E487-I489 PolarHBondContact O-N 3.4Å; E487-A490 HydrophobicContact CB-CB 3.84Å; E487-A490 PolarHBondContact O-N 3.22Å; E487-A490 VanDerWaalsContact O-N 3.17Å; E487-A491 WeakPolarHBondContact O-CB 3.29Å; E487-A491 PolarHBondContact O-N 3.43Å
488	P	93.4	Very high	94.3	Very high	37 Å²	37	61.4 Å²	61.4	24%	0.24	30%	0.298	C	S	.	.	H	α-helix	trans	-54.9	-41.7	-174.8	-24.2	29.7	0	0	0	114	A484 A491 V492 L533 L544	A484-P488 WeakPolarHBondContact O-CG 3.47Å; P488-A491 PolarHBondContact O-N 3.09Å; P488-V492 WeakPolarHBondContact O-CG2 3.49Å; P488-V492 PolarHBondContact O-N 3.26Å; P488-L533 HydrophobicContact CB-CD1 3.92Å; P488-L533 HydrophobicContact CB-CD2 4.31Å; P488-L544 HydrophobicContact CB-CB 4.42Å
489	I	92.7	Very high	94.1	Very high	42 Å²	42	61.7 Å²	61.7	22%	0.215	30%	0.298	C	S	.	.	H	α-helix	trans	-67.4	-43.5	-178.6	-61.5	165.4	0	0	0	110.7	E487 R493 F526 T530 L533 E534	E487-I489 VanDerWaalsContact C-N 3.3Å; E487-I489 PolarHBondContact O-N 3.4Å; I489-R493 WeakPolarHBondContact O-CB 3.47Å; I489-R493 PolarHBondContact O-N 3.36Å; I489-F526 HydrophobicContact CG2-CE2 4.49Å; I489-F526 HydrophobicContact CG2-CZ 3.85Å; I489-T530 HydrophobicContact CD1-CG2 3.91Å; I489-T530 HydrophobicContact CG1-CG2 4.42Å; I489-L533 HydrophobicContact CG1-CD1 3.82Å; I489-E534 HydrophobicContact CD1-CG 4.22Å
490	A	94.5	Very high	93.8	Very high	23 Å²	23	60.9 Å²	60.9	19%	0.19	30%	0.297	C	S	.	.	H	α-helix	trans	-65.3	-44.6	177.3	0	0	0	0	0	110.6	E487 V492 R493 D494	E487-A490 HydrophobicContact CB-CB 3.84Å; E487-A490 PolarHBondContact O-N 3.22Å; E487-A490 VanDerWaalsContact O-N 3.17Å; A490-V492 PolarHBondContact O-N 3.08Å; A490-R493 WeakPolarHBondContact O-CB 3.44Å; A490-R493 PolarHBondContact O-N 2.8Å; A490-R493 VanDerWaalsContact O-N 3.15Å; A490-D494 WeakPolarHBondContact O-CB 3.26Å; A490-D494 PolarHBondContact O-N 2.98Å
491	A	95.9	Very high	93.6	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-57.9	-44.4	177.5	0	0	0	0	0	112.9	I480 L483 A484 E487 P488 D494 L495	I480-A491 HydrophobicContact CG2-CB 4.2Å; L483-A491 HydrophobicContact CB-CB 4.06Å; L483-A491 HydrophobicContact CD2-CB 4.18Å; L483-A491 HydrophobicContact CG-CB 3.88Å; A484-A491 VanDerWaalsContact CA-CB 3.44Å; A484-A491 HydrophobicContact CB-CB 3.62Å; E487-A491 WeakPolarHBondContact O-CB 3.29Å; E487-A491 PolarHBondContact O-N 3.43Å; P488-A491 PolarHBondContact O-N 3.09Å; A491-D494 PolarHBondContact O-N 3.12Å; A491-L495 VanDerWaalsContact O-CB 3.28Å; A491-L495 WeakPolarHBondContact O-CB 3.38Å; A491-L495 PolarHBondContact O-N 3.18Å
492	V	92.5	Very high	93.5	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.006	30%	0.304	C	S	.	.	H	α-helix	trans	-72.5	-32.7	178.7	178.7	0	0	0	0	111.6	L407 P488 A490 L495 I496 F526 M529 L544	L407-V492 HydrophobicContact CD2-CB 4.39Å; L407-V492 HydrophobicContact CD2-CG1 3.98Å; L407-V492 HydrophobicContact CD2-CG2 3.46Å; L407-V492 VanDerWaalsContact CD2-CG2 3.46Å; P488-V492 WeakPolarHBondContact O-CG2 3.49Å; P488-V492 PolarHBondContact O-N 3.26Å; A490-V492 PolarHBondContact O-N 3.08Å; V492-L495 WeakPolarHBondContact O-CB 3.36Å; V492-L495 PolarHBondContact O-N 3.45Å; V492-I496 HydrophobicContact CG1-CD1 4.14Å; V492-I496 VanDerWaalsContact O-CG1 3.31Å; V492-I496 WeakPolarHBondContact O-CG1 3.4Å; V492-I496 PolarHBondContact O-N 2.89Å; V492-F526 HydrophobicContact CB-CD2 4.39Å; V492-F526 HydrophobicContact CB-CE2 4.04Å; V492-F526 HydrophobicContact CG1-CD2 3.74Å; V492-F526 HydrophobicContact CG1-CE2 3.9Å; V492-M529 HydrophobicContact CB-CE 3.61Å; V492-M529 HydrophobicContact CB-SD 4.16Å; V492-M529 HydrophobicContact CG1-CE 3.67Å; V492-M529 HydrophobicContact CG1-SD 3.95Å; V492-M529 HydrophobicContact CG2-CE 3.77Å; V492-M529 HydrophobicContact CG2-SD 3.78Å; V492-L544 HydrophobicContact CG2-CD1 4.49Å
493	R	93	Very high	93.4	Very high	126 Å²	126	59.9 Å²	59.9	48%	0.475	30%	0.302	S	S	.	.	H	α-helix	trans	-62.3	-48.7	171.2	-173	-176.5	-59.8	156.9	4.3	110.7	I489 A490 L495 I496 H497 F526	I489-R493 WeakPolarHBondContact O-CB 3.47Å; I489-R493 PolarHBondContact O-N 3.36Å; A490-R493 WeakPolarHBondContact O-CB 3.44Å; A490-R493 PolarHBondContact O-N 2.8Å; A490-R493 VanDerWaalsContact O-N 3.15Å; R493-L495 VanDerWaalsContact C-N 3.29Å; R493-L495 PolarHBondContact O-N 3.32Å; R493-I496 PolarHBondContact O-N 2.96Å; R493-H497 PolarHBondContact O-N 2.7Å; R493-H497 PolarHBondContact O-ND1 2.98Å; R493-F526 HydrophobicContact CB-CE2 4.38Å; R493-F526 HydrophobicContact CB-CZ 4.16Å
494	D	94.7	Very high	93.3	Very high	76 Å²	76	60.3 Å²	60.3	41%	0.406	30%	0.3	S	S	.	.	H	α-helix	trans	-66.7	-32.3	179.4	-71.5	-1.8	0	0	0	111.8	I480 L483 A490 A491 G498	I480-D494 HydrophobicContact CD1-CB 3.9Å; L483-D494 WeakPolarHBondContact CD2-OD2 3.41Å; A490-D494 WeakPolarHBondContact O-CB 3.26Å; A490-D494 PolarHBondContact O-N 2.98Å; A491-D494 PolarHBondContact O-N 3.12Å; D494-G498 VanDerWaalsContact O-CA 3.28Å; D494-G498 WeakPolarHBondContact O-CA 3.38Å; D494-G498 PolarHBondContact O-N 2.87Å
495	L	95.9	Very high	93.3	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59	-53.2	169.9	177.1	76.1	0	0	0	110.8	L403 Y406 L407 L410 W476 L477 I480 A491 V492 R493 H497 G498 M499	L403-L495 HydrophobicContact CD1-CD2 4.11Å; Y406-L495 HydrophobicContact CD1-CD1 3.6Å; Y406-L495 HydrophobicContact CD1-CD2 4.43Å; Y406-L495 HydrophobicContact CD1-CG 4.42Å; Y406-L495 HydrophobicContact CE1-CD1 4.2Å; Y406-L495 HydrophobicContact CG-CD1 4.11Å; Y406-L495 HydrophobicContact CG-CD2 4.12Å; Y406-L495 HydrophobicContact CG-CG 4.49Å; L407-L495 HydrophobicContact CD2-CD2 4.46Å; L410-L495 HydrophobicContact CD1-CD2 4.16Å; W476-L495 HydrophobicContact CH2-CD1 3.5Å; W476-L495 VanDerWaalsContact CH2-CD1 3.5Å; W476-L495 HydrophobicContact CH2-CG 4.5Å; W476-L495 HydrophobicContact CZ2-CD1 4.03Å; W476-L495 HydrophobicContact CZ3-CD1 4.23Å; L477-L495 HydrophobicContact CD1-CD1 4Å; I480-L495 HydrophobicContact CG2-CB 4.11Å; I480-L495 HydrophobicContact CG2-CD1 4.34Å; A491-L495 VanDerWaalsContact O-CB 3.28Å; A491-L495 WeakPolarHBondContact O-CB 3.38Å; A491-L495 PolarHBondContact O-N 3.18Å; V492-L495 WeakPolarHBondContact O-CB 3.36Å; V492-L495 PolarHBondContact O-N 3.45Å; R493-L495 VanDerWaalsContact C-N 3.29Å; R493-L495 PolarHBondContact O-N 3.32Å; L495-H497 PolarHBondContact O-N 3.41Å; L495-G498 PolarHBondContact O-N 3.45Å; L495-M499 VanDerWaalsContact O-CG 3.24Å; L495-M499 WeakPolarHBondContact O-CG 3.47Å; L495-M499 PolarHBondContact O-N 3.34Å
496	I	91.6	Very high	93.5	Very high	12 Å²	12	56.7 Å²	56.7	6%	0.062	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-44.5	-176	-68	166.7	0	0	0	111.1	L403 V492 R493 M499 M519 V522 F526	L403-I496 HydrophobicContact CD1-CD1 4.34Å; L403-I496 HydrophobicContact CD1-CG1 3.98Å; L403-I496 HydrophobicContact CD2-CD1 4.2Å; V492-I496 HydrophobicContact CG1-CD1 4.14Å; V492-I496 VanDerWaalsContact O-CG1 3.31Å; V492-I496 WeakPolarHBondContact O-CG1 3.4Å; V492-I496 PolarHBondContact O-N 2.89Å; R493-I496 PolarHBondContact O-N 2.96Å; I496-M499 HydrophobicContact CB-CE 4.4Å; I496-M499 HydrophobicContact CG1-CE 4.12Å; I496-M519 HydrophobicContact CG2-CE 4.42Å; I496-V522 HydrophobicContact CD1-CG1 4.24Å; I496-F526 HydrophobicContact CD1-CB 4.46Å; I496-F526 HydrophobicContact CD1-CD2 4.02Å; I496-F526 HydrophobicContact CD1-CG 4.42Å
497	H	91.7	Very high	93.5	Very high	136 Å²	136	55.2 Å²	55.2	63%	0.63	28%	0.279	S	S	*	.	H	α-helix	trans	-72.2	-43.8	178.3	-67.8	81.3	0	0	0	111.7	R493 L495 M499 D500	R493-H497 PolarHBondContact O-N 2.7Å; R493-H497 PolarHBondContact O-ND1 2.98Å; L495-H497 PolarHBondContact O-N 3.41Å; H497-M499 VanDerWaalsContact C-N 3.3Å; H497-M499 PolarHBondContact O-N 3.04Å; H497-D500 PolarHBondContact O-N 3.22Å
498	G	92.4	Very high	93.5	Very high	49 Å²	49	52.6 Å²	52.6	51%	0.505	27%	0.271	S	S	.	.	H	α-helix	trans	-68.1	-26.4	-176	0	0	0	0	0	113.9	D494 L495 D500	D494-G498 VanDerWaalsContact O-CA 3.28Å; D494-G498 WeakPolarHBondContact O-CA 3.38Å; D494-G498 PolarHBondContact O-N 2.87Å; L495-G498 PolarHBondContact O-N 3.45Å; G498-D500 VanDerWaalsContact C-N 3.34Å
499	M	93.2	Very high	93.4	Very high	12 Å²	12	51.4 Å²	51.4	6%	0.059	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-6.9	171.3	72.7	-179.5	162.7	0	0	114.1	L403 Y406 P426 W476 L495 I496 H497 Y501	L403-M499 HydrophobicContact CD1-CE 4.15Å; Y406-M499 HydrophobicContact CD2-SD 4.01Å; Y406-M499 HydrophobicContact CE1-SD 4.45Å; Y406-M499 HydrophobicContact CE2-SD 3.58Å; Y406-M499 VanDerWaalsContact CE2-SD 3.58Å; P426-M499 HydrophobicContact CG-CB 4.48Å; P426-M499 WeakPolarHBondContact CG-O 3.01Å; W476-M499 HydrophobicContact CH2-CB 3.76Å; W476-M499 HydrophobicContact CZ2-CB 4.32Å; L495-M499 VanDerWaalsContact O-CG 3.24Å; L495-M499 WeakPolarHBondContact O-CG 3.47Å; L495-M499 PolarHBondContact O-N 3.34Å; I496-M499 HydrophobicContact CB-CE 4.4Å; I496-M499 HydrophobicContact CG1-CE 4.12Å; H497-M499 VanDerWaalsContact C-N 3.3Å; H497-M499 PolarHBondContact O-N 3.04Å; M499-Y501 VanDerWaalsContact C-N 3.27Å; M499-Y501 VanDerWaalsContact CE-CB 3.49Å; M499-Y501 HydrophobicContact CE-CD1 4.28Å; M499-Y501 HydrophobicContact CE-CD2 3.64Å; M499-Y501 HydrophobicContact CE-CG 3.54Å; M499-Y501 HydrophobicContact CG-CD2 4.23Å; M499-Y501 HydrophobicContact CG-CG 4.39Å; M499-Y501 PolarHBondContact O-N 3.01Å; M499-Y501 HydrophobicContact SD-CD2 3.6Å; M499-Y501 HydrophobicContact SD-CE2 4.49Å; M499-Y501 HydrophobicContact SD-CG 4.05Å
500	D	91.1	Very high	93.2	Very high	89 Å²	89	55.7 Å²	55.7	48%	0.476	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	46.9	-174.1	-164.2	13.9	0	0	0	112.7	H497 G498 E502 S503 W504	H497-D500 PolarHBondContact O-N 3.22Å; G498-D500 VanDerWaalsContact C-N 3.34Å; D500-E502 PolarHBondContact O-N 3.44Å; D500-S503 VanDerWaalsContact CG-CB 3.49Å; D500-S503 PolarHBondContact O-N 2.93Å; D500-S503 VanDerWaalsContact OD1-CB 3.3Å; D500-S503 WeakPolarHBondContact OD1-CB 3.21Å; D500-S503 PolarHBondContact OD1-OG 3.35Å; D500-S503 WeakPolarHBondContact OD2-CB 3.05Å; D500-S503 PolarHBondContact OD2-OG 3.18Å; D500-S503 VanDerWaalsContact OD2-OG 3.06Å; D500-W504 PolarHBondContact O-N 3.33Å
501	Y	93.1	Very high	93.1	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65.6	-30	-174	-155.8	-108.6	0	0	0	112.3	E399 D402 P426 M499 W504 L505 V522	E399-Y501 WeakPolarHBondContact CA-OH 3.22Å; E399-Y501 HydrophobicContact CB-CE1 4.1Å; D402-Y501 HydrophobicContact CB-CE2 4.07Å; D402-Y501 WeakPolarHBondContact CB-OH 3.28Å; D402-Y501 VanDerWaalsContact CG-OH 3.29Å; D402-Y501 PolarHBondContact OD2-OH 2.81Å; P426-Y501 HydrophobicContact CG-CD2 3.68Å; P426-Y501 HydrophobicContact CG-CE2 4.26Å; M499-Y501 VanDerWaalsContact C-N 3.27Å; M499-Y501 VanDerWaalsContact CE-CB 3.49Å; M499-Y501 HydrophobicContact CE-CD1 4.28Å; M499-Y501 HydrophobicContact CE-CD2 3.64Å; M499-Y501 HydrophobicContact CE-CG 3.54Å; M499-Y501 HydrophobicContact CG-CD2 4.23Å; M499-Y501 HydrophobicContact CG-CG 4.39Å; M499-Y501 PolarHBondContact O-N 3.01Å; M499-Y501 HydrophobicContact SD-CD2 3.6Å; M499-Y501 HydrophobicContact SD-CE2 4.49Å; M499-Y501 HydrophobicContact SD-CG 4.05Å; Y501-W504 AromaticContact CE2-CD1 3.74Å; Y501-W504 WeakPolarHBondContact O-CB 3.45Å; Y501-W504 PolarHBondContact O-N 2.88Å; Y501-L505 HydrophobicContact CD1-CD1 3.75Å; Y501-L505 HydrophobicContact CD1-CD2 4.29Å; Y501-L505 HydrophobicContact CD1-CG 3.82Å; Y501-L505 HydrophobicContact CE1-CD1 3.81Å; Y501-L505 HydrophobicContact CE1-CD2 3.69Å; Y501-L505 HydrophobicContact CE1-CG 3.74Å; Y501-L505 VanDerWaalsContact O-CG 3.27Å; Y501-L505 WeakPolarHBondContact O-CG 3.5Å; Y501-L505 PolarHBondContact O-N 3.45Å; Y501-V522 HydrophobicContact CD1-CG2 4.26Å; Y501-V522 HydrophobicContact CE1-CG2 4.12Å
502	E	92.4	Very high	93	Very high	90 Å²	90	61 Å²	61	42%	0.421	33%	0.328	S	S	.	.	H	α-helix	trans	-60.4	-52.3	176.9	-176.3	166.6	-165.1	0	0	110.7	D500 W504 L505 Y506 M519	D500-E502 PolarHBondContact O-N 3.44Å; E502-W504 VanDerWaalsContact C-N 3.3Å; E502-W504 PolarHBondContact O-N 3.37Å; E502-L505 WeakPolarHBondContact O-CB 3.35Å; E502-L505 PolarHBondContact O-N 2.9Å; E502-Y506 HydrophobicContact CG-CD2 3.97Å; E502-Y506 HydrophobicContact CG-CE2 3.79Å; E502-Y506 VanDerWaalsContact O-CD2 3.29Å; E502-Y506 WeakPolarHBondContact O-CD2 3.3Å; E502-Y506 PolarHBondContact O-N 3.47Å; E502-M519 HydrophobicContact CB-CE 4.07Å; E502-M519 HydrophobicContact CB-SD 4.21Å; E502-M519 HydrophobicContact CG-CE 4.42Å; E502-M519 HydrophobicContact CG-CG 4.42Å; E502-M519 HydrophobicContact CG-SD 4.43Å
503	S	94.4	Very high	92.7	Very high	49 Å²	49	68.9 Å²	68.9	34%	0.343	36%	0.362	S	S	.	.	H	α-helix	trans	-58	-43.6	176.1	-58.6	0	0	0	0	111.6	D500 L505 Y506 E507	D500-S503 VanDerWaalsContact CG-CB 3.49Å; D500-S503 PolarHBondContact O-N 2.93Å; D500-S503 VanDerWaalsContact OD1-CB 3.3Å; D500-S503 WeakPolarHBondContact OD1-CB 3.21Å; D500-S503 PolarHBondContact OD1-OG 3.35Å; D500-S503 WeakPolarHBondContact OD2-CB 3.05Å; D500-S503 PolarHBondContact OD2-OG 3.18Å; D500-S503 VanDerWaalsContact OD2-OG 3.06Å; S503-L505 VanDerWaalsContact C-N 3.31Å; S503-L505 PolarHBondContact O-N 3.38Å; S503-Y506 PolarHBondContact O-N 3.4Å; S503-Y506 VanDerWaalsContact O-N 3.11Å; S503-E507 WeakPolarHBondContact O-CG 3.48Å; S503-E507 PolarHBondContact O-N 3.01Å
504	W	94.2	Very high	92.3	Very high	50 Å²	50	64.4 Å²	64.4	19%	0.189	35%	0.352	C	S	.	.	H	α-helix	trans	-57.7	-39.8	174.1	175.3	-109	0	0	0	113.3	T425 P426 K427 D500 Y501 E502 E507 T508	T425-W504 HydrophobicContact CG2-CZ2 4.27Å; P426-W504 HydrophobicContact CB-CB 3.86Å; P426-W504 HydrophobicContact CB-CD2 3.81Å; P426-W504 HydrophobicContact CB-CE3 4.06Å; P426-W504 HydrophobicContact CB-CG 3.74Å; P426-W504 HydrophobicContact CG-CB 3.69Å; P426-W504 HydrophobicContact CG-CD2 4.24Å; P426-W504 HydrophobicContact CG-CG 3.68Å; K427-W504 HydrophobicContact CB-CH2 4.09Å; K427-W504 HydrophobicContact CB-CZ3 3.7Å; D500-W504 PolarHBondContact O-N 3.33Å; Y501-W504 AromaticContact CE2-CD1 3.74Å; Y501-W504 WeakPolarHBondContact O-CB 3.45Å; Y501-W504 PolarHBondContact O-N 2.88Å; E502-W504 VanDerWaalsContact C-N 3.3Å; E502-W504 PolarHBondContact O-N 3.37Å; W504-E507 PolarHBondContact O-N 2.78Å; W504-T508 HydrophobicContact CD2-CG2 3.76Å; W504-T508 HydrophobicContact CE3-CG2 3.92Å; W504-T508 HydrophobicContact CG-CG2 4.48Å; W504-T508 HydrophobicContact CH2-CG2 3.76Å; W504-T508 HydrophobicContact CZ2-CG2 3.6Å; W504-T508 HydrophobicContact CZ3-CG2 3.91Å; W504-T508 WeakPolarHBondContact O-CB 3.4Å; W504-T508 WeakPolarHBondContact O-CG2 3.33Å; W504-T508 PolarHBondContact O-N 2.76Å; W504-T508 PolarHBondContact O-OG1 2.98Å
505	L	93.9	Very high	92.1	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-67.6	-39.1	175.7	-70.2	177.9	0	0	0	111.5	E399 Y501 E502 S503 E507 S509 A515 R518 M519 V522	E399-L505 HydrophobicContact CB-CD2 4.07Å; Y501-L505 HydrophobicContact CD1-CD1 3.75Å; Y501-L505 HydrophobicContact CD1-CD2 4.29Å; Y501-L505 HydrophobicContact CD1-CG 3.82Å; Y501-L505 HydrophobicContact CE1-CD1 3.81Å; Y501-L505 HydrophobicContact CE1-CD2 3.69Å; Y501-L505 HydrophobicContact CE1-CG 3.74Å; Y501-L505 VanDerWaalsContact O-CG 3.27Å; Y501-L505 WeakPolarHBondContact O-CG 3.5Å; Y501-L505 PolarHBondContact O-N 3.45Å; E502-L505 WeakPolarHBondContact O-CB 3.35Å; E502-L505 PolarHBondContact O-N 2.9Å; S503-L505 VanDerWaalsContact C-N 3.31Å; S503-L505 PolarHBondContact O-N 3.38Å; L505-E507 VanDerWaalsContact C-N 3.33Å; L505-S509 WeakPolarHBondContact O-CB 3.4Å; L505-S509 PolarHBondContact O-N 3Å; L505-S509 PolarHBondContact O-OG 3.36Å; L505-A515 WeakPolarHBondContact O-CB 3.08Å; L505-R518 HydrophobicContact CD1-CB 4.05Å; L505-R518 HydrophobicContact CD2-CB 4.08Å; L505-M519 HydrophobicContact CD1-CB 4.19Å; L505-M519 HydrophobicContact CD1-SD 4.14Å; L505-V522 HydrophobicContact CD1-CG2 4.4Å
506	Y	94.9	Very high	91.8	Very high	96 Å²	96	65.1 Å²	65.1	38%	0.376	35%	0.353	S	S	.	.	H	α-helix	trans	-65.8	-34.6	175.5	-83.7	-82	0	0	0	112.8	E502 S503 P512 A515 E516	E502-Y506 HydrophobicContact CG-CD2 3.97Å; E502-Y506 HydrophobicContact CG-CE2 3.79Å; E502-Y506 VanDerWaalsContact O-CD2 3.29Å; E502-Y506 WeakPolarHBondContact O-CD2 3.3Å; E502-Y506 PolarHBondContact O-N 3.47Å; S503-Y506 PolarHBondContact O-N 3.4Å; S503-Y506 VanDerWaalsContact O-N 3.11Å; Y506-P512 HydrophobicContact CD1-CB 4.34Å; Y506-P512 HydrophobicContact CE1-CB 4.12Å; Y506-A515 HydrophobicContact CD1-CB 3.65Å; Y506-A515 HydrophobicContact CD2-CB 4.22Å; Y506-A515 HydrophobicContact CE1-CB 3.94Å; Y506-A515 HydrophobicContact CE2-CB 4.47Å; Y506-A515 HydrophobicContact CG-CB 3.8Å; Y506-E516 HydrophobicContact CE1-CG 4.42Å; Y506-E516 WeakPolarHBondContact OH-CG 3.48Å
507	E	94.4	Very high	91.4	Very high	154 Å²	154	69.2 Å²	69.2	72%	0.72	37%	0.373	S	S	*	.	H	α-helix	trans	-74.4	-38.4	176.5	-70.9	179.3	-179.7	0	0	113.3	S503 W504 L505	S503-E507 WeakPolarHBondContact O-CG 3.48Å; S503-E507 PolarHBondContact O-N 3.01Å; W504-E507 PolarHBondContact O-N 2.78Å; L505-E507 VanDerWaalsContact C-N 3.33Å
508	T	93.4	Very high	91.3	Very high	61 Å²	61	64.8 Å²	64.8	37%	0.374	35%	0.351	S	S	.	.	H	α-helix	trans	-93.6	-16.1	-172.6	58.3	0	0	0	0	114.5	W504 R518	W504-T508 HydrophobicContact CD2-CG2 3.76Å; W504-T508 HydrophobicContact CE3-CG2 3.92Å; W504-T508 HydrophobicContact CG-CG2 4.48Å; W504-T508 HydrophobicContact CH2-CG2 3.76Å; W504-T508 HydrophobicContact CZ2-CG2 3.6Å; W504-T508 HydrophobicContact CZ3-CG2 3.91Å; W504-T508 WeakPolarHBondContact O-CB 3.4Å; W504-T508 WeakPolarHBondContact O-CG2 3.33Å; W504-T508 PolarHBondContact O-N 2.76Å; W504-T508 PolarHBondContact O-OG1 2.98Å; T508-R518 PolarHBondContact OG1-NH1 3.23Å
509	S	91.1	Very high	91.3	Very high	13 Å²	13	63.5 Å²	63.5	9%	0.091	33%	0.332	C	S	.	.	S	Bend	trans	-83.2	148.9	-177	-59.7	0	0	0	0	111.9	L505 S511 R518	L505-S509 WeakPolarHBondContact O-CB 3.4Å; L505-S509 PolarHBondContact O-N 3Å; L505-S509 PolarHBondContact O-OG 3.36Å; S509-S511 PolarHBondContact O-N 3.48Å; S509-S511 VanDerWaalsContact O-N 3.08Å; S509-R518 WeakPolarHBondContact OG-CD 3.46Å; S509-R518 PolarHBondContact OG-NH1 3.16Å; S509-R518 VanDerWaalsContact OG-NH1 3.13Å
510	P	89.7	Confident	90.7	Very high	131 Å²	131	69 Å²	69	85%	0.851	36%	0.356	S	S	*	.	S	Bend	trans	-62.7	-19.9	-178.3	-23.6	33.3	0	0	0	115
511	S	92.7	Very high	90.3	Very high	50 Å²	50	65.3 Å²	65.3	35%	0.35	34%	0.336	S	S	.	.	S	Bend	trans	-156	157.9	177	65.8	0	0	0	0	110.8	S509 K513 A514 A515	S509-S511 PolarHBondContact O-N 3.48Å; S509-S511 VanDerWaalsContact O-N 3.08Å; S511-K513 PolarHBondContact O-N 2.85Å; S511-A514 WeakPolarHBondContact O-CB 3.38Å; S511-A514 PolarHBondContact O-N 3.41Å; S511-A514 WeakPolarHBondContact OG-CB 3.34Å; S511-A514 PolarHBondContact OG-N 3.33Å; S511-A514 VanDerWaalsContact OG-N 3.17Å; S511-A515 PolarHBondContact O-N 3.12Å
512	P	92.3	Very high	90	Very high	84 Å²	84	65.4 Å²	65.4	55%	0.545	34%	0.336	S	S	.	.	H	α-helix	trans	-55.5	-38.6	174.4	-27.1	35.3	0	0	0	112.9	Y506 A514 A515 E516	Y506-P512 HydrophobicContact CD1-CB 4.34Å; Y506-P512 HydrophobicContact CE1-CB 4.12Å; P512-A514 VanDerWaalsContact C-N 3.33Å; P512-A514 PolarHBondContact O-N 3.07Å; P512-A515 WeakPolarHBondContact O-CB 3.43Å; P512-A515 PolarHBondContact O-N 3.39Å; P512-E516 PolarHBondContact O-N 2.7Å
513	K	87.2	Confident	89.7	Confident	168 Å²	168	65 Å²	65	73%	0.73	34%	0.337	S	S	*	.	H	α-helix	trans	-66.5	-34.4	177.1	-168.1	174.7	-178.2	178.9	0	112.7	S511 M517	S511-K513 PolarHBondContact O-N 2.85Å; K513-M517 PolarHBondContact O-N 3.01Å; K513-M517 VanDerWaalsContact O-N 3.14Å
514	A	85.1	Confident	88.9	Confident	31 Å²	31	66.6 Å²	66.6	26%	0.256	34%	0.339	S	S	.	.	H	α-helix	trans	-68.8	-39.7	172.7	0	0	0	0	0	111.1	S511 P512 M517 R518	S511-A514 WeakPolarHBondContact O-CB 3.38Å; S511-A514 PolarHBondContact O-N 3.41Å; S511-A514 WeakPolarHBondContact OG-CB 3.34Å; S511-A514 PolarHBondContact OG-N 3.33Å; S511-A514 VanDerWaalsContact OG-N 3.17Å; P512-A514 VanDerWaalsContact C-N 3.33Å; P512-A514 PolarHBondContact O-N 3.07Å; A514-M517 PolarHBondContact O-N 3.03Å; A514-R518 WeakPolarHBondContact O-CG 3.42Å; A514-R518 PolarHBondContact O-N 3.14Å
515	A	90.7	Very high	88.4	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-60.2	-48.1	174.2	0	0	0	0	0	111.7	L505 Y506 S511 P512 M517 R518 M519	L505-A515 WeakPolarHBondContact O-CB 3.08Å; Y506-A515 HydrophobicContact CD1-CB 3.65Å; Y506-A515 HydrophobicContact CD2-CB 4.22Å; Y506-A515 HydrophobicContact CE1-CB 3.94Å; Y506-A515 HydrophobicContact CE2-CB 4.47Å; Y506-A515 HydrophobicContact CG-CB 3.8Å; S511-A515 PolarHBondContact O-N 3.12Å; P512-A515 WeakPolarHBondContact O-CB 3.43Å; P512-A515 PolarHBondContact O-N 3.39Å; A515-M517 VanDerWaalsContact C-N 3.26Å; A515-M517 PolarHBondContact O-N 2.72Å; A515-R518 PolarHBondContact O-N 3.27Å; A515-R518 VanDerWaalsContact O-N 3.12Å; A515-M519 PolarHBondContact O-N 3.16Å
516	E	88.2	Confident	88.1	Confident	91 Å²	91	66 Å²	66	43%	0.425	34%	0.338	S	S	.	.	H	α-helix	trans	-55.5	-41.8	174.4	-75.5	175.9	-162.9	0	0	112	Y506 P512 M519 K520	Y506-E516 HydrophobicContact CE1-CG 4.42Å; Y506-E516 WeakPolarHBondContact OH-CG 3.48Å; P512-E516 PolarHBondContact O-N 2.7Å; E516-M519 PolarHBondContact O-N 2.98Å; E516-K520 WeakPolarHBondContact O-CG 3.27Å; E516-K520 PolarHBondContact O-N 3.28Å
517	M	83	Confident	87.3	Confident	98 Å²	98	64.6 Å²	64.6	48%	0.483	34%	0.342	S	S	.	.	H	α-helix	trans	-67.8	-39.7	178.2	-169.6	64.8	-159.3	0	0	112.2	K513 A514 A515 M519 K520 N521	K513-M517 PolarHBondContact O-N 3.01Å; K513-M517 VanDerWaalsContact O-N 3.14Å; A514-M517 PolarHBondContact O-N 3.03Å; A515-M517 VanDerWaalsContact C-N 3.26Å; A515-M517 PolarHBondContact O-N 2.72Å; M517-M519 VanDerWaalsContact C-N 3.35Å; M517-K520 WeakPolarHBondContact O-CB 3.37Å; M517-K520 PolarHBondContact O-N 3.41Å; M517-K520 HydrophobicContact SD-CD 4.39Å; M517-N521 PolarHBondContact O-N 3.49Å; M517-N521 VanDerWaalsContact O-N 3.13Å; M517-N521 PolarHBondContact O-ND2 2.86Å; M517-N521 PolarHBondContact O-OD1 2.86Å
518	R	90.3	Very high	86.6	Confident	43 Å²	43	60.2 Å²	60.2	16%	0.162	32%	0.319	C	S	.	.	H	α-helix	trans	-64.5	-41.2	174.4	-67.9	177.8	75.9	-157	-4.4	110.9	E399 L505 T508 S509 A514 A515 K520 N521 V522	E399-R518 HydrophobicContact CB-CB 4.38Å; E399-R518 HydrophobicContact CG-CB 3.96Å; E399-R518 HydrophobicContact CG-CG 4.35Å; E399-R518 IonicContact OE2-CZ 3.28Å; E399-R518 IonicContact OE2-NE 2.7Å; E399-R518 PolarHBondContact OE2-NE 2.98Å; E399-R518 IonicContact OE2-NH2 2.73Å; L505-R518 HydrophobicContact CD1-CB 4.05Å; L505-R518 HydrophobicContact CD2-CB 4.08Å; T508-R518 PolarHBondContact OG1-NH1 3.23Å; S509-R518 WeakPolarHBondContact OG-CD 3.46Å; S509-R518 PolarHBondContact OG-NH1 3.16Å; S509-R518 VanDerWaalsContact OG-NH1 3.13Å; A514-R518 WeakPolarHBondContact O-CG 3.42Å; A514-R518 PolarHBondContact O-N 3.14Å; A515-R518 PolarHBondContact O-N 3.27Å; A515-R518 VanDerWaalsContact O-N 3.12Å; R518-K520 VanDerWaalsContact C-N 3.34Å; R518-K520 PolarHBondContact O-N 3.22Å; R518-N521 WeakPolarHBondContact O-CB 3.28Å; R518-N521 PolarHBondContact O-N 2.69Å; R518-N521 VanDerWaalsContact O-N 3.08Å; R518-V522 PolarHBondContact O-N 2.91Å
519	M	91.9	Very high	86.4	Confident	22 Å²	22	57.4 Å²	57.4	11%	0.108	30%	0.301	C	S	.	.	H	α-helix	trans	-65.2	-36.6	175.8	-168.1	57.7	180	0	0	112.1	I496 E502 L505 A515 E516 M517 N521 V522 N523	I496-M519 HydrophobicContact CG2-CE 4.42Å; E502-M519 HydrophobicContact CB-CE 4.07Å; E502-M519 HydrophobicContact CB-SD 4.21Å; E502-M519 HydrophobicContact CG-CE 4.42Å; E502-M519 HydrophobicContact CG-CG 4.42Å; E502-M519 HydrophobicContact CG-SD 4.43Å; L505-M519 HydrophobicContact CD1-CB 4.19Å; L505-M519 HydrophobicContact CD1-SD 4.14Å; A515-M519 PolarHBondContact O-N 3.16Å; E516-M519 PolarHBondContact O-N 2.98Å; M517-M519 VanDerWaalsContact C-N 3.35Å; M519-N521 VanDerWaalsContact C-N 3.3Å; M519-N521 PolarHBondContact O-N 2.65Å; M519-V522 WeakPolarHBondContact O-CB 3.32Å; M519-V522 PolarHBondContact O-N 3.01Å; M519-V522 HydrophobicContact SD-CB 4.25Å; M519-V522 HydrophobicContact SD-CG1 4.24Å; M519-N523 PolarHBondContact O-N 2.78Å; M519-N523 PolarHBondContact O-ND2 3.2Å
520	K	80.4	Confident	86.1	Confident	129 Å²	129	58 Å²	58	56%	0.561	30%	0.304	S	S	*	.	H	α-helix	trans	-59.6	-39	170.1	-76.1	176.9	-175.9	179.5	0	112.5	E516 M517 R518 N523 Q524	E516-K520 WeakPolarHBondContact O-CG 3.27Å; E516-K520 PolarHBondContact O-N 3.28Å; M517-K520 WeakPolarHBondContact O-CB 3.37Å; M517-K520 PolarHBondContact O-N 3.41Å; M517-K520 HydrophobicContact SD-CD 4.39Å; R518-K520 VanDerWaalsContact C-N 3.34Å; R518-K520 PolarHBondContact O-N 3.22Å; K520-N523 PolarHBondContact O-N 3.38Å; K520-Q524 WeakPolarHBondContact O-CB 3.27Å; K520-Q524 PolarHBondContact O-N 2.88Å
521	N	82.4	Confident	85.5	Confident	11 Å²	11	57.2 Å²	57.2	6%	0.059	29%	0.289	C	S	.	.	H	α-helix	trans	-64.9	-43.1	175.6	-54.6	-36	0	0	0	111.2	F394 R397 E399 I400 M517 R518 M519 N523 Q524 L525	F394-N521 HydrophobicContact CE2-CB 3.79Å; F394-N521 HydrophobicContact CZ-CB 4.25Å; F394-N521 WeakPolarHBondContact CZ-O 3.48Å; R397-N521 PolarHBondContact NH1-ND2 3.23Å; R397-N521 PolarHBondContact NH1-OD1 3.02Å; E399-N521 HydrophobicContact CG-CB 4.28Å; E399-N521 PolarHBondContact OE1-ND2 3.26Å; I400-N521 HydrophobicContact CD1-CB 3.87Å; I400-N521 WeakPolarHBondContact CD1-O 3.47Å; I400-N521 HydrophobicContact CG1-CB 4.37Å; M517-N521 PolarHBondContact O-N 3.49Å; M517-N521 VanDerWaalsContact O-N 3.13Å; M517-N521 PolarHBondContact O-ND2 2.86Å; M517-N521 PolarHBondContact O-OD1 2.86Å; R518-N521 WeakPolarHBondContact O-CB 3.28Å; R518-N521 PolarHBondContact O-N 2.69Å; R518-N521 VanDerWaalsContact O-N 3.08Å; M519-N521 VanDerWaalsContact C-N 3.3Å; M519-N521 PolarHBondContact O-N 2.65Å; N521-N523 PolarHBondContact O-N 3.05Å; N521-Q524 WeakPolarHBondContact O-CB 3.31Å; N521-Q524 PolarHBondContact O-N 3.11Å; N521-L525 PolarHBondContact O-N 3Å
522	V	88.7	Confident	85.1	Confident	1 Å²	1	56 Å²	56	1%	0.006	28%	0.279	C	S	.	.	H	α-helix	trans	-57.8	-48.7	175.1	165.8	0	0	0	0	111.2	E399 L403 I496 Y501 L505 R518 M519 Q524 L525 F526	E399-V522 HydrophobicContact CB-CG2 4.11Å; E399-V522 HydrophobicContact CG-CG2 4.25Å; L403-V522 HydrophobicContact CD2-CG1 3.94Å; I496-V522 HydrophobicContact CD1-CG1 4.24Å; Y501-V522 HydrophobicContact CD1-CG2 4.26Å; Y501-V522 HydrophobicContact CE1-CG2 4.12Å; L505-V522 HydrophobicContact CD1-CG2 4.4Å; R518-V522 PolarHBondContact O-N 2.91Å; M519-V522 WeakPolarHBondContact O-CB 3.32Å; M519-V522 PolarHBondContact O-N 3.01Å; M519-V522 HydrophobicContact SD-CB 4.25Å; M519-V522 HydrophobicContact SD-CG1 4.24Å; V522-Q524 VanDerWaalsContact C-N 3.29Å; V522-Q524 PolarHBondContact O-N 3.39Å; V522-L525 PolarHBondContact O-N 3.24Å; V522-F526 PolarHBondContact O-N 2.91Å
523	N	85.5	Confident	84.9	Confident	82 Å²	82	53 Å²	53	44%	0.439	26%	0.258	S	S	.	.	H	α-helix	trans	-62.7	-35.9	177.3	-70.9	-31.1	0	0	0	112.5	M519 K520 N521 F526 S527	M519-N523 PolarHBondContact O-N 2.78Å; M519-N523 PolarHBondContact O-ND2 3.2Å; K520-N523 PolarHBondContact O-N 3.38Å; N521-N523 PolarHBondContact O-N 3.05Å; N523-F526 PolarHBondContact O-N 3.18Å; N523-S527 WeakPolarHBondContact O-CB 3.35Å; N523-S527 PolarHBondContact O-N 2.99Å
524	Q	78.2	Confident	85	Confident	83 Å²	83	51.4 Å²	51.4	39%	0.388	25%	0.253	S	S	.	.	H	α-helix	trans	-63.8	-45.6	175.1	-172	67.7	22.9	0	0	111.6	F394 K520 N521 V522 F526 S527 W528	F394-Q524 HydrophobicContact CE2-CB 4.5Å; F394-Q524 HydrophobicContact CZ-CB 4.31Å; F394-Q524 HydrophobicContact CZ-CG 4.45Å; K520-Q524 WeakPolarHBondContact O-CB 3.27Å; K520-Q524 PolarHBondContact O-N 2.88Å; N521-Q524 WeakPolarHBondContact O-CB 3.31Å; N521-Q524 PolarHBondContact O-N 3.11Å; V522-Q524 VanDerWaalsContact C-N 3.29Å; V522-Q524 PolarHBondContact O-N 3.39Å; Q524-F526 VanDerWaalsContact C-N 3.32Å; Q524-F526 PolarHBondContact O-N 2.88Å; Q524-S527 WeakPolarHBondContact O-CB 3.47Å; Q524-S527 PolarHBondContact O-N 2.6Å; Q524-W528 HydrophobicContact CG-CD2 4.22Å; Q524-W528 HydrophobicContact CG-CE3 4.48Å; Q524-W528 HydrophobicContact CG-CH2 4.04Å; Q524-W528 HydrophobicContact CG-CZ2 3.73Å; Q524-W528 HydrophobicContact CG-CZ3 4.42Å; Q524-W528 VanDerWaalsContact NE2-CE2 3.26Å; Q524-W528 PolarHBondContact O-N 3.17Å
525	L	83.3	Confident	84.5	Confident	2 Å²	2	51 Å²	51	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-61.8	-42.8	176.3	-173.4	74.3	0	0	0	111.1	F394 F395 I400 L403 L404 N521 V522 S527 W528 M529 F551	F394-L525 HydrophobicContact CE1-CB 4.35Å; F394-L525 HydrophobicContact CE1-CD1 4.13Å; F394-L525 HydrophobicContact CZ-CB 4.36Å; F395-L525 HydrophobicContact CD1-CD1 4.3Å; F395-L525 HydrophobicContact CE1-CD1 3.74Å; I400-L525 HydrophobicContact CD1-CB 4.14Å; I400-L525 HydrophobicContact CD1-CD2 4.44Å; I400-L525 HydrophobicContact CG2-CD1 4.35Å; I400-L525 HydrophobicContact CG2-CD2 4.09Å; L403-L525 HydrophobicContact CB-CD2 4.26Å; L403-L525 HydrophobicContact CD2-CD2 3.72Å; L403-L525 HydrophobicContact CG-CD2 4Å; L404-L525 HydrophobicContact CD2-CD2 4.31Å; L404-L525 HydrophobicContact CG-CD2 4.32Å; N521-L525 PolarHBondContact O-N 3Å; V522-L525 PolarHBondContact O-N 3.24Å; L525-S527 VanDerWaalsContact C-N 3.33Å; L525-S527 PolarHBondContact O-N 3.14Å; L525-W528 HydrophobicContact CD1-CE3 4.47Å; L525-W528 PolarHBondContact O-N 3.44Å; L525-M529 WeakPolarHBondContact O-CB 3.49Å; L525-M529 PolarHBondContact O-N 3.26Å; L525-F551 HydrophobicContact CD1-CD1 4.14Å; L525-F551 HydrophobicContact CD1-CD2 4.1Å; L525-F551 HydrophobicContact CD1-CE1 3.98Å; L525-F551 HydrophobicContact CD1-CE2 3.93Å; L525-F551 HydrophobicContact CD1-CG 4.2Å; L525-F551 HydrophobicContact CD1-CZ 3.87Å; L525-F551 HydrophobicContact CG-CE2 4.33Å; L525-F551 HydrophobicContact CG-CZ 4.46Å
526	F	86.8	Confident	83.5	Confident	37 Å²	37	53.7 Å²	53.7	16%	0.162	27%	0.27	C	S	.	.	H	α-helix	trans	-61.2	-40.9	176.5	-177.7	-103.3	0	0	0	112.4	I489 V492 R493 I496 V522 N523 Q524 M529 T530	I489-F526 HydrophobicContact CG2-CE2 4.49Å; I489-F526 HydrophobicContact CG2-CZ 3.85Å; V492-F526 HydrophobicContact CB-CD2 4.39Å; V492-F526 HydrophobicContact CB-CE2 4.04Å; V492-F526 HydrophobicContact CG1-CD2 3.74Å; V492-F526 HydrophobicContact CG1-CE2 3.9Å; R493-F526 HydrophobicContact CB-CE2 4.38Å; R493-F526 HydrophobicContact CB-CZ 4.16Å; I496-F526 HydrophobicContact CD1-CB 4.46Å; I496-F526 HydrophobicContact CD1-CD2 4.02Å; I496-F526 HydrophobicContact CD1-CG 4.42Å; V522-F526 PolarHBondContact O-N 2.91Å; N523-F526 PolarHBondContact O-N 3.18Å; Q524-F526 VanDerWaalsContact C-N 3.32Å; Q524-F526 PolarHBondContact O-N 2.88Å; F526-M529 HydrophobicContact CD2-CE 3.71Å; F526-M529 HydrophobicContact CE2-CE 3.73Å; F526-M529 PolarHBondContact O-N 3.08Å; F526-T530 WeakPolarHBondContact O-CB 3.38Å; F526-T530 PolarHBondContact O-N 3.31Å; F526-T530 PolarHBondContact O-OG1 3Å
527	S	78.7	Confident	82.3	Confident	65 Å²	65	57 Å²	57	46%	0.455	29%	0.285	S	S	.	.	H	α-helix	trans	-62	-50	175.2	-175.1	0	0	0	0	111.7	N523 Q524 L525 M529 T530 E531	N523-S527 WeakPolarHBondContact O-CB 3.35Å; N523-S527 PolarHBondContact O-N 2.99Å; Q524-S527 WeakPolarHBondContact O-CB 3.47Å; Q524-S527 PolarHBondContact O-N 2.6Å; L525-S527 VanDerWaalsContact C-N 3.33Å; L525-S527 PolarHBondContact O-N 3.14Å; S527-M529 VanDerWaalsContact C-N 3.29Å; S527-M529 PolarHBondContact O-N 3.26Å; S527-T530 WeakPolarHBondContact O-CB 3.47Å; S527-T530 PolarHBondContact O-N 2.81Å; S527-T530 VanDerWaalsContact O-N 3.15Å; S527-E531 PolarHBondContact O-N 3.14Å
528	W	79.3	Confident	80.9	Confident	63 Å²	63	57.8 Å²	57.8	24%	0.239	29%	0.291	C	S	.	.	H	α-helix	trans	-60.7	-38.8	176.2	-69.3	-25.7	0	0	0	112.8	F394 F395 Q524 L525 T530 E531 M532 F551	F394-W528 HydrophobicContact CD1-CH2 4.18Å; F394-W528 AromaticContact CD1-CZ3 3.59Å; F394-W528 HydrophobicContact CD1-CZ3 3.59Å; F394-W528 HydrophobicContact CE1-CE3 4.12Å; F394-W528 HydrophobicContact CE1-CH2 4.16Å; F394-W528 AromaticContact CE1-CZ3 3.38Å; F394-W528 HydrophobicContact CE1-CZ3 3.38Å; F394-W528 HydrophobicContact CE2-CZ3 4.48Å; F394-W528 HydrophobicContact CG-CH2 4.38Å; F394-W528 HydrophobicContact CG-CZ3 4.24Å; F394-W528 HydrophobicContact CZ-CH2 4.33Å; F394-W528 AromaticContact CZ-CZ3 3.86Å; F394-W528 HydrophobicContact CZ-CZ3 3.86Å; F395-W528 HydrophobicContact CZ-CZ3 4.26Å; Q524-W528 HydrophobicContact CG-CD2 4.22Å; Q524-W528 HydrophobicContact CG-CE3 4.48Å; Q524-W528 HydrophobicContact CG-CH2 4.04Å; Q524-W528 HydrophobicContact CG-CZ2 3.73Å; Q524-W528 HydrophobicContact CG-CZ3 4.42Å; Q524-W528 VanDerWaalsContact NE2-CE2 3.26Å; Q524-W528 PolarHBondContact O-N 3.17Å; L525-W528 HydrophobicContact CD1-CE3 4.47Å; L525-W528 PolarHBondContact O-N 3.44Å; W528-T530 VanDerWaalsContact C-N 3.32Å; W528-E531 PolarHBondContact O-N 3.01Å; W528-M532 VanDerWaalsContact O-CG 3.31Å; W528-M532 WeakPolarHBondContact O-CG 3.39Å; W528-M532 PolarHBondContact O-N 3.16Å; W528-F551 HydrophobicContact CB-CE1 4.14Å; W528-F551 HydrophobicContact CB-CZ 4.16Å
529	M	88.3	Confident	79.7	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-62.6	-44.5	176.7	-175.4	-164.6	72	0	0	110.4	L407 V492 L525 F526 S527 M532 L533 L544 V547 F551	L407-M529 HydrophobicContact CD1-SD 4.28Å; L407-M529 HydrophobicContact CD2-SD 4.33Å; V492-M529 HydrophobicContact CB-CE 3.61Å; V492-M529 HydrophobicContact CB-SD 4.16Å; V492-M529 HydrophobicContact CG1-CE 3.67Å; V492-M529 HydrophobicContact CG1-SD 3.95Å; V492-M529 HydrophobicContact CG2-CE 3.77Å; V492-M529 HydrophobicContact CG2-SD 3.78Å; L525-M529 WeakPolarHBondContact O-CB 3.49Å; L525-M529 PolarHBondContact O-N 3.26Å; F526-M529 HydrophobicContact CD2-CE 3.71Å; F526-M529 HydrophobicContact CE2-CE 3.73Å; F526-M529 PolarHBondContact O-N 3.08Å; S527-M529 VanDerWaalsContact C-N 3.29Å; S527-M529 PolarHBondContact O-N 3.26Å; M529-M532 PolarHBondContact O-N 2.9Å; M529-L533 HydrophobicContact CE-CD1 4.03Å; M529-L533 HydrophobicContact CG-CD1 3.94Å; M529-L533 HydrophobicContact CG-CG 4.38Å; M529-L533 WeakPolarHBondContact O-CB 3.41Å; M529-L533 VanDerWaalsContact O-CG 3.22Å; M529-L533 WeakPolarHBondContact O-CG 3.46Å; M529-L533 PolarHBondContact O-N 3.19Å; M529-L533 HydrophobicContact SD-CD1 4.39Å; M529-L544 HydrophobicContact CG-CD1 4.47Å; M529-L544 HydrophobicContact SD-CD1 3.95Å; M529-V547 HydrophobicContact CB-CG1 4.27Å; M529-V547 HydrophobicContact CG-CG1 3.75Å; M529-F551 HydrophobicContact CB-CE2 3.87Å; M529-F551 HydrophobicContact CB-CZ 3.89Å; M529-F551 HydrophobicContact CG-CE2 4.19Å
530	T	85.7	Confident	79.1	Confident	24 Å²	24	65.5 Å²	65.5	15%	0.147	33%	0.332	C	S	.	.	H	α-helix	trans	-60	-48.7	177.7	-57.4	0	0	0	0	110.9	I489 F526 S527 W528 M532 L533 E534	I489-T530 HydrophobicContact CD1-CG2 3.91Å; I489-T530 HydrophobicContact CG1-CG2 4.42Å; F526-T530 WeakPolarHBondContact O-CB 3.38Å; F526-T530 PolarHBondContact O-N 3.31Å; F526-T530 PolarHBondContact O-OG1 3Å; S527-T530 WeakPolarHBondContact O-CB 3.47Å; S527-T530 PolarHBondContact O-N 2.81Å; S527-T530 VanDerWaalsContact O-N 3.15Å; W528-T530 VanDerWaalsContact C-N 3.32Å; T530-M532 VanDerWaalsContact C-N 3.33Å; T530-M532 PolarHBondContact O-N 2.85Å; T530-L533 PolarHBondContact O-N 2.87Å; T530-E534 HydrophobicContact CG2-CG 4.34Å; T530-E534 WeakPolarHBondContact O-CB 3.38Å; T530-E534 WeakPolarHBondContact O-CG 3.28Å; T530-E534 PolarHBondContact O-N 2.96Å
531	E	77.4	Confident	79.3	Confident	116 Å²	116	63.6 Å²	63.6	54%	0.542	33%	0.332	S	S	.	.	H	α-helix	trans	-58.5	-42.1	176.7	-174.4	-175.4	177.7	0	0	112.2	S527 W528 G535	S527-E531 PolarHBondContact O-N 3.14Å; W528-E531 PolarHBondContact O-N 3.01Å; E531-G535 WeakPolarHBondContact O-CA 3.03Å; E531-G535 PolarHBondContact O-N 3.04Å
532	M	83.6	Confident	79.6	Confident	25 Å²	25	65.6 Å²	65.6	12%	0.123	34%	0.342	C	S	.	.	H	α-helix	trans	-69.8	-35.3	177.8	-67.7	-176.9	-167.2	0	0	113	W528 M529 T530 M542 V547 F551 R554	W528-M532 VanDerWaalsContact O-CG 3.31Å; W528-M532 WeakPolarHBondContact O-CG 3.39Å; W528-M532 PolarHBondContact O-N 3.16Å; M529-M532 PolarHBondContact O-N 2.9Å; T530-M532 VanDerWaalsContact C-N 3.33Å; T530-M532 PolarHBondContact O-N 2.85Å; M532-M542 HydrophobicContact CB-SD 4.22Å; M532-M542 WeakPolarHBondContact O-CB 3.45Å; M532-M542 WeakPolarHBondContact O-CG 3.23Å; M532-M542 PolarHBondContact O-N 2.91Å; M532-V547 HydrophobicContact CB-CG1 4.23Å; M532-V547 HydrophobicContact CB-CG2 3.65Å; M532-V547 HydrophobicContact SD-CG1 4.02Å; M532-F551 HydrophobicContact CE-CD1 4.32Å; M532-F551 HydrophobicContact CE-CE1 3.71Å; M532-F551 HydrophobicContact CE-CZ 4.46Å; M532-F551 HydrophobicContact SD-CE1 3.97Å; M532-F551 HydrophobicContact SD-CZ 4.29Å; M532-R554 VanDerWaalsContact CE-NH1 3.31Å
533	L	89.6	Confident	79.7	Confident	20 Å²	20	69.3 Å²	69.3	11%	0.105	36%	0.364	C	S	.	.	H	α-helix	trans	-69.8	-42.8	177.1	-73.4	170.8	0	0	0	111.6	P488 I489 M529 T530 G535 P541 M542 L544 V547	P488-L533 HydrophobicContact CB-CD1 3.92Å; P488-L533 HydrophobicContact CB-CD2 4.31Å; I489-L533 HydrophobicContact CG1-CD1 3.82Å; M529-L533 HydrophobicContact CE-CD1 4.03Å; M529-L533 HydrophobicContact CG-CD1 3.94Å; M529-L533 HydrophobicContact CG-CG 4.38Å; M529-L533 WeakPolarHBondContact O-CB 3.41Å; M529-L533 VanDerWaalsContact O-CG 3.22Å; M529-L533 WeakPolarHBondContact O-CG 3.46Å; M529-L533 PolarHBondContact O-N 3.19Å; M529-L533 HydrophobicContact SD-CD1 4.39Å; T530-L533 PolarHBondContact O-N 2.87Å; L533-G535 VanDerWaalsContact C-N 3.29Å; L533-P541 VanDerWaalsContact O-CB 3.23Å; L533-P541 WeakPolarHBondContact O-CB 3.42Å; L533-M542 VanDerWaalsContact CD2-O 3.29Å; L533-M542 WeakPolarHBondContact CD2-O 3.33Å; L533-L544 HydrophobicContact CD2-CB 4.36Å; L533-V547 HydrophobicContact CD2-CG2 3.9Å; L533-V547 HydrophobicContact CG-CG2 4.1Å
534	E	87.6	Confident	80	Confident	135 Å²	135	66 Å²	66	63%	0.631	35%	0.347	S	S	*	.	H	α-helix	trans	-73	-25.4	177.2	-68.3	179.9	173.7	0	0	112	I489 T530	I489-E534 HydrophobicContact CD1-CG 4.22Å; T530-E534 HydrophobicContact CG2-CG 4.34Å; T530-E534 WeakPolarHBondContact O-CB 3.38Å; T530-E534 WeakPolarHBondContact O-CG 3.28Å; T530-E534 PolarHBondContact O-N 2.96Å
535	G	75.5	Confident	80.5	Confident	21 Å²	21	64.1 Å²	64.1	22%	0.216	34%	0.341	C	S	.	.			trans	77	-179.7	-175.6	0	0	0	0	0	112.1	E531 L533	E531-G535 WeakPolarHBondContact O-CA 3.03Å; E531-G535 PolarHBondContact O-N 3.04Å; L533-G535 VanDerWaalsContact C-N 3.29Å
536	S	68.9	Low	80.7	Confident	57 Å²	57	67.6 Å²	67.6	40%	0.399	36%	0.357	S	S	.	.			trans	-131.5	176.9	174.8	76.6	0	0	0	0	110.8	L538 D539	S536-L538 PolarHBondContact O-N 3.19Å; S536-L538 PolarHBondContact OG-N 2.99Å; S536-L538 VanDerWaalsContact OG-N 3.15Å; S536-D539 PolarHBondContact N-O 2.97Å; S536-D539 PolarHBondContact O-N 3.27Å; S536-D539 PolarHBondContact OG-N 3.36Å; S536-D539 VanDerWaalsContact OG-N 3.14Å
537	E	64.3	Low	80.7	Confident	160 Å²	160	65.8 Å²	65.8	75%	0.748	35%	0.349	S	S	*	.	S	Bend	trans	-64.1	-17.7	171.9	-65.7	-174.6	168.5	0	0	113.8	R90	R90-E537 IonicContact CZ-OE2 3.66Å; R90-E537 VanDerWaalsContact CZ-OE2 3.28Å; R90-E537 IonicContact NH1-OE2 2.72Å; R90-E537 PolarHBondContact NH1-OE2 3.44Å; R90-E537 IonicContact NH2-OE2 3.1Å; R90-E537 PolarHBondContact NH2-OE2 3.3Å
538	L	51.8	Low	81.2	Confident	116 Å²	116	63 Å²	63	61%	0.607	33%	0.33	S	S	*	.	S	Bend	trans	-98.6	-29.9	178.3	-77.1	168.2	0	0	0	113.4	R90 S536	R90-L538 HydrophobicContact CG-CD2 3.8Å; S536-L538 PolarHBondContact O-N 3.19Å; S536-L538 PolarHBondContact OG-N 2.99Å; S536-L538 VanDerWaalsContact OG-N 3.15Å
539	D	66.4	Low	81.4	Confident	82 Å²	82	60.4 Å²	60.4	44%	0.439	32%	0.321	S	S	.	.	S	Bend	trans	-129.2	128.6	-169.3	-65.7	-48.5	0	0	0	109.4	K81 S536	K81-D539 IonicContact NZ-OD1 3.65Å; K81-D539 PolarHBondContact NZ-OD1 2.99Å; K81-D539 IonicContact NZ-OD2 2.85Å; S536-D539 PolarHBondContact N-O 2.97Å; S536-D539 PolarHBondContact O-N 3.27Å; S536-D539 PolarHBondContact OG-N 3.36Å; S536-D539 VanDerWaalsContact OG-N 3.14Å
540	E	78.5	Confident	81	Confident	145 Å²	145	63.9 Å²	63.9	68%	0.678	33%	0.334	S	S	*	.			trans	-64.4	149	-179.9	-66.6	-167.2	-176.4	0	0	111.4	R94	R94-E540 IonicContact NH2-OE1 2.71Å; R94-E540 PolarHBondContact NH2-OE1 3.41Å
541	P	85.6	Confident	80.8	Confident	89 Å²	89	62.8 Å²	62.8	58%	0.578	33%	0.327	S	S	*	.			trans	-56.3	144	178.9	22.8	-33.9	0	0	0	111.6	L533	L533-P541 VanDerWaalsContact O-CB 3.23Å; L533-P541 WeakPolarHBondContact O-CB 3.42Å
542	M	87.6	Confident	80.5	Confident	53 Å²	53	57.6 Å²	57.6	26%	0.261	30%	0.303	S	S	.	.			trans	-106	151	-176.5	-55.4	-173	71	0	0	111.3	M532 L533 Q546 V547 R550	M532-M542 HydrophobicContact CB-SD 4.22Å; M532-M542 WeakPolarHBondContact O-CB 3.45Å; M532-M542 WeakPolarHBondContact O-CG 3.23Å; M532-M542 PolarHBondContact O-N 2.91Å; L533-M542 VanDerWaalsContact CD2-O 3.29Å; L533-M542 WeakPolarHBondContact CD2-O 3.33Å; M542-Q546 HydrophobicContact CB-CB 4.19Å; M542-Q546 HydrophobicContact CE-CB 3.62Å; M542-V547 HydrophobicContact CB-CG2 3.66Å; M542-R550 HydrophobicContact CE-CG 3.53Å; M542-R550 HydrophobicContact SD-CG 4.43Å
543	T	91.2	Very high	79.9	Confident	78 Å²	78	56.4 Å²	56.4	48%	0.479	30%	0.297	S	S	.	.			trans	-75.3	156.8	165.8	59.9	0	0	0	0	110.7	T545 Q546 V547	T543-T545 VanDerWaalsContact C-N 3.27Å; T543-T545 PolarHBondContact O-N 3.13Å; T543-Q546 WeakPolarHBondContact O-CA 3.49Å; T543-Q546 WeakPolarHBondContact O-CB 3.42Å; T543-Q546 PolarHBondContact O-N 3.37Å; T543-Q546 WeakPolarHBondContact OG1-CB 3.37Å; T543-Q546 VanDerWaalsContact OG1-CD 3.26Å; T543-Q546 WeakPolarHBondContact OG1-CG 3.41Å; T543-Q546 PolarHBondContact OG1-N 3.21Å; T543-Q546 PolarHBondContact OG1-OE1 2.86Å; T543-V547 WeakPolarHBondContact O-CG2 3.19Å; T543-V547 PolarHBondContact O-N 3.4Å
544	L	91.9	Very high	78.6	Confident	14 Å²	14	58.4 Å²	58.4	7%	0.073	30%	0.303	C	S	.	.	H	α-helix	trans	-54.6	-43.9	177.8	-176.2	61.2	0	0	0	112.1	T411 A484 P488 V492 M529 L533 Q546 V547 V548	T411-L544 HydrophobicContact CG2-CB 4.26Å; T411-L544 HydrophobicContact CG2-CD2 3.94Å; T411-L544 HydrophobicContact CG2-CG 3.72Å; A484-L544 HydrophobicContact CB-CD2 4.11Å; P488-L544 HydrophobicContact CB-CB 4.42Å; V492-L544 HydrophobicContact CG2-CD1 4.49Å; M529-L544 HydrophobicContact CG-CD1 4.47Å; M529-L544 HydrophobicContact SD-CD1 3.95Å; L533-L544 HydrophobicContact CD2-CB 4.36Å; L544-Q546 VanDerWaalsContact C-N 3.31Å; L544-Q546 PolarHBondContact O-N 2.85Å; L544-V547 PolarHBondContact O-N 3Å; L544-V547 VanDerWaalsContact O-N 3.14Å; L544-V548 HydrophobicContact CD1-CG2 4.39Å; L544-V548 HydrophobicContact CG-CG2 4.47Å; L544-V548 WeakPolarHBondContact O-CG2 2.96Å; L544-V548 PolarHBondContact O-N 3.26Å
545	T	89.4	Confident	77.1	Confident	43 Å²	43	52.4 Å²	52.4	26%	0.264	28%	0.275	S	S	.	.	H	α-helix	trans	-57.1	-44.6	175.3	-51.1	0	0	0	0	111.6	T543 V547 V548 T549	T543-T545 VanDerWaalsContact C-N 3.27Å; T543-T545 PolarHBondContact O-N 3.13Å; T545-V547 PolarHBondContact O-N 3.04Å; T545-V548 PolarHBondContact O-N 2.74Å; T545-T549 PolarHBondContact O-N 3.04Å; T545-T549 PolarHBondContact O-OG1 2.94Å
546	Q	86.3	Confident	76	Confident	74 Å²	74	52.7 Å²	52.7	35%	0.346	27%	0.272	S	S	.	.	H	α-helix	trans	-65	-39	177.5	-71.5	166.6	-36.4	0	0	112.3	M542 T543 L544 T549 R550	M542-Q546 HydrophobicContact CB-CB 4.19Å; M542-Q546 HydrophobicContact CE-CB 3.62Å; T543-Q546 WeakPolarHBondContact O-CA 3.49Å; T543-Q546 WeakPolarHBondContact O-CB 3.42Å; T543-Q546 PolarHBondContact O-N 3.37Å; T543-Q546 WeakPolarHBondContact OG1-CB 3.37Å; T543-Q546 VanDerWaalsContact OG1-CD 3.26Å; T543-Q546 WeakPolarHBondContact OG1-CG 3.41Å; T543-Q546 PolarHBondContact OG1-N 3.21Å; T543-Q546 PolarHBondContact OG1-OE1 2.86Å; L544-Q546 VanDerWaalsContact C-N 3.31Å; L544-Q546 PolarHBondContact O-N 2.85Å; Q546-T549 PolarHBondContact O-N 3.44Å; Q546-R550 VanDerWaalsContact O-CG 3.29Å; Q546-R550 WeakPolarHBondContact O-CG 3.37Å; Q546-R550 PolarHBondContact O-N 3.32Å
547	V	88.2	Confident	75.1	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.4	-47.6	176.3	176.2	0	0	0	0	111	M529 M532 L533 M542 T543 L544 T545 T549 R550 F551	M529-V547 HydrophobicContact CB-CG1 4.27Å; M529-V547 HydrophobicContact CG-CG1 3.75Å; M532-V547 HydrophobicContact CB-CG1 4.23Å; M532-V547 HydrophobicContact CB-CG2 3.65Å; M532-V547 HydrophobicContact SD-CG1 4.02Å; L533-V547 HydrophobicContact CD2-CG2 3.9Å; L533-V547 HydrophobicContact CG-CG2 4.1Å; M542-V547 HydrophobicContact CB-CG2 3.66Å; T543-V547 WeakPolarHBondContact O-CG2 3.19Å; T543-V547 PolarHBondContact O-N 3.4Å; L544-V547 PolarHBondContact O-N 3Å; L544-V547 VanDerWaalsContact O-N 3.14Å; T545-V547 PolarHBondContact O-N 3.04Å; V547-T549 VanDerWaalsContact C-N 3.35Å; V547-T549 PolarHBondContact O-N 2.91Å; V547-R550 WeakPolarHBondContact O-CB 3.07Å; V547-R550 PolarHBondContact O-N 2.78Å; V547-F551 HydrophobicContact CG1-CD2 3.92Å; V547-F551 HydrophobicContact CG1-CE2 3.41Å; V547-F551 VanDerWaalsContact CG1-CE2 3.41Å; V547-F551 HydrophobicContact CG1-CZ 3.78Å; V547-F551 PolarHBondContact O-N 3.16Å
548	V	88.5	Confident	74.6	Confident	7 Å²	7	45.8 Å²	45.8	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-58.1	-47.6	176.2	175	0	0	0	0	110.8	L407 R408 T411 L544 T545 R550 F551 T552	L407-V548 HydrophobicContact CB-CG2 3.57Å; L407-V548 HydrophobicContact CD1-CG2 4.49Å; R408-V548 HydrophobicContact CG-CG1 3.66Å; T411-V548 HydrophobicContact CG2-CG2 4.14Å; L544-V548 HydrophobicContact CD1-CG2 4.39Å; L544-V548 HydrophobicContact CG-CG2 4.47Å; L544-V548 WeakPolarHBondContact O-CG2 2.96Å; L544-V548 PolarHBondContact O-N 3.26Å; T545-V548 PolarHBondContact O-N 2.74Å; V548-R550 PolarHBondContact O-N 3.36Å; V548-F551 PolarHBondContact O-N 3.21Å; V548-T552 PolarHBondContact O-N 3.41Å; V548-T552 VanDerWaalsContact O-N 3.09Å; V548-T552 PolarHBondContact O-OG1 3.08Å; V548-T552 VanDerWaalsContact O-OG1 3.14Å
549	T	82.9	Confident	74.4	Confident	8 Å²	8	46.1 Å²	46.1	5%	0.049	23%	0.227	C	C	.	.	H	α-helix	trans	-58.7	-38.2	176.5	-39.4	0	0	0	0	111.9	L106 K110 L124 T545 Q546 V547 T552 L553	L106-T549 HydrophobicContact CD1-CG2 3.9Å; L106-T549 HydrophobicContact CD2-CG2 3.41Å; L106-T549 VanDerWaalsContact CD2-CG2 3.41Å; L106-T549 HydrophobicContact CG-CG2 4.28Å; K110-T549 PolarHBondContact NZ-OG1 3.15Å; L124-T549 HydrophobicContact CD1-CG2 3.42Å; L124-T549 VanDerWaalsContact CD1-CG2 3.42Å; L124-T549 HydrophobicContact CG-CG2 4.04Å; T545-T549 PolarHBondContact O-N 3.04Å; T545-T549 PolarHBondContact O-OG1 2.94Å; Q546-T549 PolarHBondContact O-N 3.44Å; V547-T549 VanDerWaalsContact C-N 3.35Å; V547-T549 PolarHBondContact O-N 2.91Å; T549-T552 PolarHBondContact O-N 3.41Å; T549-L553 WeakPolarHBondContact O-CG 3.2Å; T549-L553 PolarHBondContact O-N 3.28Å; T549-L553 VanDerWaalsContact O-N 3.07Å
550	R	80.4	Confident	73.3	Confident	75 Å²	75	43.5 Å²	43.5	28%	0.283	22%	0.219	S	C	.	.	H	α-helix	trans	-68.5	-39.7	178.7	-74.3	-72.2	-79.7	172.7	-4.9	112.3	M542 Q546 V547 V548 T552 L553 R554	M542-R550 HydrophobicContact CE-CG 3.53Å; M542-R550 HydrophobicContact SD-CG 4.43Å; Q546-R550 VanDerWaalsContact O-CG 3.29Å; Q546-R550 WeakPolarHBondContact O-CG 3.37Å; Q546-R550 PolarHBondContact O-N 3.32Å; V547-R550 WeakPolarHBondContact O-CB 3.07Å; V547-R550 PolarHBondContact O-N 2.78Å; V548-R550 PolarHBondContact O-N 3.36Å; R550-T552 VanDerWaalsContact C-N 3.34Å; R550-L553 PolarHBondContact O-N 3.1Å; R550-R554 WeakPolarHBondContact O-CG 3.42Å; R550-R554 PolarHBondContact O-N 3.48Å
551	F	80.6	Confident	71.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.1	-41.8	175	-69.6	-37.4	0	0	0	112.2	F395 L404 L525 W528 M529 M532 V547 V548 L553 R554 D555	F395-F551 HydrophobicContact CD1-CB 4.38Å; F395-F551 HydrophobicContact CE1-CB 3.82Å; F395-F551 AromaticContact CE1-CD1 3.56Å; F395-F551 HydrophobicContact CE1-CD1 3.56Å; F395-F551 HydrophobicContact CE1-CE1 4.36Å; F395-F551 AromaticContact CE1-CG 3.91Å; F395-F551 HydrophobicContact CE1-CG 3.91Å; F395-F551 AromaticContact CZ-CD1 3.83Å; F395-F551 HydrophobicContact CZ-CD1 3.83Å; L404-F551 HydrophobicContact CD2-CB 3.61Å; L404-F551 HydrophobicContact CD2-CD2 3.77Å; L404-F551 HydrophobicContact CD2-CG 4.06Å; L525-F551 HydrophobicContact CD1-CD1 4.14Å; L525-F551 HydrophobicContact CD1-CD2 4.1Å; L525-F551 HydrophobicContact CD1-CE1 3.98Å; L525-F551 HydrophobicContact CD1-CE2 3.93Å; L525-F551 HydrophobicContact CD1-CG 4.2Å; L525-F551 HydrophobicContact CD1-CZ 3.87Å; L525-F551 HydrophobicContact CG-CE2 4.33Å; L525-F551 HydrophobicContact CG-CZ 4.46Å; W528-F551 HydrophobicContact CB-CE1 4.14Å; W528-F551 HydrophobicContact CB-CZ 4.16Å; M529-F551 HydrophobicContact CB-CE2 3.87Å; M529-F551 HydrophobicContact CB-CZ 3.89Å; M529-F551 HydrophobicContact CG-CE2 4.19Å; M532-F551 HydrophobicContact CE-CD1 4.32Å; M532-F551 HydrophobicContact CE-CE1 3.71Å; M532-F551 HydrophobicContact CE-CZ 4.46Å; M532-F551 HydrophobicContact SD-CE1 3.97Å; M532-F551 HydrophobicContact SD-CZ 4.29Å; V547-F551 HydrophobicContact CG1-CD2 3.92Å; V547-F551 HydrophobicContact CG1-CE2 3.41Å; V547-F551 VanDerWaalsContact CG1-CE2 3.41Å; V547-F551 HydrophobicContact CG1-CZ 3.78Å; V547-F551 PolarHBondContact O-N 3.16Å; V548-F551 PolarHBondContact O-N 3.21Å; F551-L553 VanDerWaalsContact C-N 3.34Å; F551-L553 PolarHBondContact O-N 3.2Å; F551-R554 PolarHBondContact O-N 2.8Å; F551-R554 VanDerWaalsContact O-N 3.11Å; F551-D555 PolarHBondContact O-N 3.16Å
552	T	72.1	Confident	70.1	Confident	7 Å²	7	39.3 Å²	39.3	4%	0.043	20%	0.2	C	C	.	.	H	α-helix	trans	-64.4	-39.3	176.9	-47.7	0	0	0	0	112.1	L124 V548 T549 R550 R554 M556	L124-T552 HydrophobicContact CB-CG2 3.46Å; L124-T552 VanDerWaalsContact CB-CG2 3.46Å; L124-T552 WeakPolarHBondContact O-CG2 3.45Å; V548-T552 PolarHBondContact O-N 3.41Å; V548-T552 VanDerWaalsContact O-N 3.09Å; V548-T552 PolarHBondContact O-OG1 3.08Å; V548-T552 VanDerWaalsContact O-OG1 3.14Å; T549-T552 PolarHBondContact O-N 3.41Å; R550-T552 VanDerWaalsContact C-N 3.34Å; T552-R554 VanDerWaalsContact C-N 3.34Å; T552-R554 PolarHBondContact O-N 3.07Å; T552-M556 HydrophobicContact CG2-CE 3.49Å; T552-M556 VanDerWaalsContact CG2-CE 3.49Å
553	L	70	Confident	68.4	Low	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.1	-36.4	171.6	-75	179.8	0	0	0	113	H102 L106 L124 F200 L203 T549 R550 F551 M557	H102-L553 HydrophobicContact CB-CD2 4.43Å; L106-L553 HydrophobicContact CD2-CD1 3.47Å; L106-L553 VanDerWaalsContact CD2-CD1 3.47Å; L106-L553 HydrophobicContact CD2-CG 4.31Å; L124-L553 HydrophobicContact CD1-CD2 3.88Å; L124-L553 HydrophobicContact CD1-CG 3.89Å; F200-L553 HydrophobicContact CD2-CD2 4.39Å; F200-L553 HydrophobicContact CE2-CD2 3.84Å; L203-L553 HydrophobicContact CD1-CD2 3.63Å; T549-L553 WeakPolarHBondContact O-CG 3.2Å; T549-L553 PolarHBondContact O-N 3.28Å; T549-L553 VanDerWaalsContact O-N 3.07Å; R550-L553 PolarHBondContact O-N 3.1Å; F551-L553 VanDerWaalsContact C-N 3.34Å; F551-L553 PolarHBondContact O-N 3.2Å; L553-M557 WeakPolarHBondContact O-CB 3.48Å; L553-M557 VanDerWaalsContact O-CG 3.26Å; L553-M557 WeakPolarHBondContact O-CG 3.37Å; L553-M557 PolarHBondContact O-N 2.98Å
554	R	64	Low	66.6	Low	63 Å²	63	45.2 Å²	45.2	24%	0.238	22%	0.222	C	C	.	.	H	α-helix	trans	-70.2	-41.8	178.8	-77.4	-176.4	175.6	-165.9	2.1	111.9	F395 M532 R550 F551 T552 M556 M557 E558	F395-R554 HydrophobicContact CD2-CB 4.21Å; F395-R554 HydrophobicContact CE2-CB 3.52Å; F395-R554 HydrophobicContact CZ-CB 3.79Å; M532-R554 VanDerWaalsContact CE-NH1 3.31Å; R550-R554 WeakPolarHBondContact O-CG 3.42Å; R550-R554 PolarHBondContact O-N 3.48Å; F551-R554 PolarHBondContact O-N 2.8Å; F551-R554 VanDerWaalsContact O-N 3.11Å; T552-R554 VanDerWaalsContact C-N 3.34Å; T552-R554 PolarHBondContact O-N 3.07Å; R554-M556 PolarHBondContact O-N 3Å; R554-M557 PolarHBondContact O-N 3.05Å; R554-M557 VanDerWaalsContact O-N 3.1Å; R554-E558 HydrophobicContact CB-CG 4.17Å; R554-E558 WeakPolarHBondContact CD-OE1 3.23Å; R554-E558 HydrophobicContact CG-CG 4.41Å; R554-E558 VanDerWaalsContact CG-OE1 3.26Å; R554-E558 WeakPolarHBondContact CG-OE1 3.43Å; R554-E558 IonicContact NE-OE1 2.9Å; R554-E558 VanDerWaalsContact O-CB 3.28Å; R554-E558 WeakPolarHBondContact O-CB 3.36Å; R554-E558 WeakPolarHBondContact O-CG 3.36Å; R554-E558 PolarHBondContact O-N 2.79Å
555	D	54.7	Low	65.2	Low	8 Å²	8	52.3 Å²	52.3	4%	0.043	25%	0.254	C	S	.	.	H	α-helix	trans	-52.7	-46.2	177.3	-171.5	14.8	0	0	0	112.5	S393 F395 S396 K401 F551 M557	S393-D555 WeakPolarHBondContact CB-OD1 3.43Å; S393-D555 PolarHBondContact OG-O 3.11Å; S393-D555 PolarHBondContact OG-OD1 3.39Å; F395-D555 VanDerWaalsContact C-OD1 3.31Å; F395-D555 HydrophobicContact CB-CB 3.21Å; F395-D555 WeakPolarHBondContact CB-OD1 3.38Å; F395-D555 HydrophobicContact CD2-CB 4.23Å; F395-D555 HydrophobicContact CG-CB 3.82Å; S396-D555 PolarHBondContact N-OD1 3.39Å; K401-D555 IonicContact NZ-OD2 3.86Å; F551-D555 PolarHBondContact O-N 3.16Å; D555-M557 VanDerWaalsContact C-N 3.31Å; D555-M557 PolarHBondContact O-N 2.83Å
556	M	52	Low	64.7	Low	28 Å²	28	54.2 Å²	54.2	14%	0.138	26%	0.263	C	S	.	.	H	α-helix	trans	-73.4	-24.7	-175.8	-63.4	-170.6	-129.5	0	0	113	F125 D126 F200 T552 R554	F125-M556 VanDerWaalsContact C-CE 3.48Å; F125-M556 WeakPolarHBondContact O-CE 3.45Å; D126-M556 HydrophobicContact CB-CE 3.81Å; D126-M556 HydrophobicContact CB-CG 4.01Å; D126-M556 HydrophobicContact CB-SD 4.16Å; F200-M556 HydrophobicContact CB-SD 4.07Å; F200-M556 HydrophobicContact CD2-CB 4.47Å; F200-M556 HydrophobicContact CD2-CE 4.37Å; F200-M556 HydrophobicContact CD2-SD 3.57Å; F200-M556 VanDerWaalsContact CD2-SD 3.57Å; F200-M556 HydrophobicContact CE2-CB 4.26Å; F200-M556 HydrophobicContact CE2-SD 4.24Å; F200-M556 HydrophobicContact CG-SD 4.04Å; T552-M556 HydrophobicContact CG2-CE 3.49Å; T552-M556 VanDerWaalsContact CG2-CE 3.49Å; R554-M556 PolarHBondContact O-N 3Å
557	M	51.8	Low	64.9	Low	31 Å²	31	53.8 Å²	53.8	15%	0.153	26%	0.263	C	S	.	.	H	α-helix	trans	-108.7	-22.9	-172.1	-60.9	-170.2	76	0	0	114.7	F72 N74 T100 F200 L553 R554 D555 R559	F72-M557 WeakPolarHBondContact O-CE 3.33Å; N74-M557 WeakPolarHBondContact ND2-CB 3.49Å; T100-M557 HydrophobicContact CG2-CE 3.6Å; T100-M557 HydrophobicContact CG2-SD 4.44Å; F200-M557 HydrophobicContact CE2-CG 4.31Å; F200-M557 HydrophobicContact CE2-SD 4.4Å; F200-M557 HydrophobicContact CZ-CG 3.84Å; F200-M557 HydrophobicContact CZ-SD 3.89Å; L553-M557 WeakPolarHBondContact O-CB 3.48Å; L553-M557 VanDerWaalsContact O-CG 3.26Å; L553-M557 WeakPolarHBondContact O-CG 3.37Å; L553-M557 PolarHBondContact O-N 2.98Å; R554-M557 PolarHBondContact O-N 3.05Å; R554-M557 VanDerWaalsContact O-N 3.1Å; D555-M557 VanDerWaalsContact C-N 3.31Å; D555-M557 PolarHBondContact O-N 2.83Å; M557-R559 PolarHBondContact O-N 2.96Å
558	E	52	Low	65	Low	41 Å²	41	55 Å²	55	19%	0.192	27%	0.268	C	S	.	.			trans	-93	20.5	-175.8	-67.2	-175.1	179.7	0	0	113.8	F395 R554 G560 E561	F395-E558 WeakPolarHBondContact CE2-OE2 3.12Å; R554-E558 HydrophobicContact CB-CG 4.17Å; R554-E558 WeakPolarHBondContact CD-OE1 3.23Å; R554-E558 HydrophobicContact CG-CG 4.41Å; R554-E558 VanDerWaalsContact CG-OE1 3.26Å; R554-E558 WeakPolarHBondContact CG-OE1 3.43Å; R554-E558 IonicContact NE-OE1 2.9Å; R554-E558 VanDerWaalsContact O-CB 3.28Å; R554-E558 WeakPolarHBondContact O-CB 3.36Å; R554-E558 WeakPolarHBondContact O-CG 3.36Å; R554-E558 PolarHBondContact O-N 2.79Å; E558-G560 PolarHBondContact O-N 2.84Å; E558-E561 HydrophobicContact CB-CB 4.4Å; E558-E561 PolarHBondContact O-N 3.18Å
559	R	47.8	Very low	65.3	Low	123 Å²	123	54.6 Å²	54.6	46%	0.464	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	79.4	171.3	-70.9	-176.1	-178.3	164.3	7.4	110.5	D127 M557	D127-R559 IonicContact OD2-CZ 3.04Å; D127-R559 IonicContact OD2-NH1 3.37Å; D127-R559 PolarHBondContact OD2-NH1 3.3Å; D127-R559 IonicContact OD2-NH2 2.87Å; D127-R559 PolarHBondContact OD2-NH2 3.14Å; M557-R559 PolarHBondContact O-N 2.96Å
560	G	43.5	Very low	65.8	Low	27 Å²	27	55.5 Å²	55.5	28%	0.278	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	136.2	2.1	177.3	0	0	0	0	0	117.6	E558	E558-G560 PolarHBondContact O-N 2.84Å
561	E	48.5	Very low	66.4	Low	67 Å²	67	52 Å²	52	31%	0.313	26%	0.256	S	S	.	.			trans	-111.8	64.2	-160.8	-60.1	-172.7	165.7	0	0	115	K75 E558	K75-E561 WeakPolarHBondContact CB-OE1 3.36Å; E558-E561 HydrophobicContact CB-CB 4.4Å; E558-E561 PolarHBondContact O-N 3.18Å
562	S	48.5	Very low	67	Low	78 Å²	78	52 Å²	52	55%	0.545	26%	0.257	S	S	.	.			trans	-88	123.7	157.5	66.3	0	0	0	0	110.7	K387 E564	K387-S562 VanDerWaalsContact CE-OG 3.23Å; K387-S562 WeakPolarHBondContact CE-OG 3.15Å; K387-S562 PolarHBondContact NZ-O 3.09Å; K387-S562 PolarHBondContact NZ-OG 2.89Å; S562-E564 PolarHBondContact O-N 3.18Å
563	E	52.2	Low	68	Low	118 Å²	118	52.7 Å²	52.7	55%	0.551	26%	0.261	S	S	*	.			trans	-86.1	5.5	-170.7	-82.3	-179	172	0	0	115.6	R78 E565	R78-E563 IonicContact CZ-OE1 3Å; R78-E563 VanDerWaalsContact CZ-OE1 3.31Å; R78-E563 IonicContact CZ-OE2 2.74Å; R78-E563 IonicContact NE-OE1 2.74Å; R78-E563 IonicContact NH1-OE1 3.15Å; R78-E563 PolarHBondContact NH1-OE1 3.15Å; R78-E563 IonicContact NH1-OE2 2.77Å; R78-E563 PolarHBondContact NH1-OE2 3.24Å; R78-E563 IonicContact NH2-OE1 2.92Å; R78-E563 IonicContact NH2-OE2 2.65Å; R78-E563 PolarHBondContact NH2-OE2 3.08Å; E563-E565 PolarHBondContact O-N 2.9Å
564	E	52.9	Low	69.1	Low	138 Å²	138	52.8 Å²	52.8	65%	0.645	26%	0.262	S	S	*	.			trans	-73.4	108.6	173.1	-66.2	-170.1	167	0	0	109.5	S562 L566	S562-E564 PolarHBondContact O-N 3.18Å; E564-L566 HydrophobicContact CB-CD1 4.31Å; E564-L566 HydrophobicContact CB-CD2 4.16Å; E564-L566 HydrophobicContact CB-CG 3.8Å; E564-L566 PolarHBondContact O-N 3.34Å
565	E	63.2	Low	70.3	Confident	162 Å²	162	50.9 Å²	50.9	76%	0.757	26%	0.255	S	S	*	.			trans	-64.7	61.2	163.1	-75.5	-165.1	-167.9	0	0	110.1	K360 E563	K360-E565 IonicContact NZ-OE2 2.72Å; K360-E565 PolarHBondContact NZ-OE2 2.95Å; E563-E565 PolarHBondContact O-N 2.9Å
566	L	78	Confident	71.8	Confident	83 Å²	83	52.3 Å²	52.3	44%	0.435	27%	0.268	S	S	.	.			trans	-67.7	145.1	169.3	-58.7	173.5	0	0	0	108.3	E564 Q568	E564-L566 HydrophobicContact CB-CD1 4.31Å; E564-L566 HydrophobicContact CB-CD2 4.16Å; E564-L566 HydrophobicContact CB-CG 3.8Å; E564-L566 PolarHBondContact O-N 3.34Å; L566-Q568 VanDerWaalsContact C-N 3.29Å; L566-Q568 HydrophobicContact CB-CG 4.23Å; L566-Q568 PolarHBondContact O-N 2.85Å
567	D	90.3	Very high	73.6	Confident	66 Å²	66	51 Å²	51	35%	0.353	26%	0.261	S	S	.	.	S	Bend	trans	-71.5	86.3	174.4	-174.6	19.5	0	0	0	110.2	Q358 Y359 K360 P385	Q358-D567 WeakPolarHBondContact CB-OD1 3.04Å; Y359-D567 WeakPolarHBondContact CA-OD1 3.44Å; Y359-D567 WeakPolarHBondContact CB-OD1 3.48Å; Y359-D567 PolarHBondContact N-OD1 3.37Å; K360-D567 PolarHBondContact N-OD1 3.27Å; P385-D567 VanDerWaalsContact CG-O 3.24Å; P385-D567 WeakPolarHBondContact CG-O 3.38Å
568	Q	92.1	Very high	75.2	Confident	24 Å²	24	50.8 Å²	50.8	11%	0.112	26%	0.26	C	S	.	.			trans	-150.8	146.9	-172.9	70.3	-168.7	-20.6	0	0	112.1	Y359 K360 P385 Y386 K387 L566 Q570	Y359-Q568 CarbonylContact O-C 3.57Å; K360-Q568 VanDerWaalsContact CA-O 3.28Å; K360-Q568 WeakPolarHBondContact CA-O 3.19Å; P385-Q568 HydrophobicContact CB-CB 3.85Å; P385-Q568 HydrophobicContact CG-CB 4.26Å; P385-Q568 CarbonylContact O-C 3.5Å; P385-Q568 WeakPolarHBondContact O-CA 3.29Å; P385-Q568 WeakPolarHBondContact O-CB 3.21Å; Y386-Q568 PolarHBondContact O-OE1 3.3Å; K387-Q568 HydrophobicContact CB-CG 3.99Å; L566-Q568 VanDerWaalsContact C-N 3.29Å; L566-Q568 HydrophobicContact CB-CG 4.23Å; L566-Q568 PolarHBondContact O-N 2.85Å; Q568-Q570 PolarHBondContact O-NE2 2.9Å
569	V	94	Very high	76.5	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	136.3	179	-179.7	0	0	0	0	110.3	L348 Y359 I364 I384 P385 Y386 K387 L571	L348-V569 HydrophobicContact CD1-CG1 3.93Å; L348-V569 HydrophobicContact CD1-CG2 3.76Å; L348-V569 HydrophobicContact CD2-CG2 4.2Å; Y359-V569 HydrophobicContact CD1-CG2 3.94Å; Y359-V569 HydrophobicContact CG-CG2 4.42Å; Y359-V569 WeakPolarHBondContact O-CA 3.44Å; I364-V569 HydrophobicContact CD1-CG1 4.17Å; I364-V569 HydrophobicContact CG1-CG1 4.21Å; I384-V569 HydrophobicContact CG2-CG2 3.55Å; P385-V569 PolarHBondContact O-N 3.42Å; Y386-V569 CarbonylContact C-O 3.54Å; Y386-V569 VanDerWaalsContact CA-O 3.23Å; Y386-V569 WeakPolarHBondContact CA-O 3.28Å; K387-V569 PolarHBondContact N-O 2.7Å; V569-L571 HydrophobicContact CB-CD1 4.46Å; V569-L571 HydrophobicContact CG1-CD1 4.01Å
570	Q	93.7	Very high	78.4	Confident	27 Å²	27	47.3 Å²	47.3	13%	0.126	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	115.7	-178.8	-55.2	-61.4	-50.7	0	0	111.2	Y362 A363 I364 Q568 M572 F582	Y362-Q570 PolarHBondContact O-N 2.99Å; A363-Q570 CarbonylContact C-O 3.57Å; A363-Q570 VanDerWaalsContact CA-O 3.23Å; A363-Q570 WeakPolarHBondContact CA-O 3.49Å; A363-Q570 HydrophobicContact CB-CB 4.25Å; I364-Q570 PolarHBondContact N-O 2.98Å; Q568-Q570 PolarHBondContact O-NE2 2.9Å; Q570-M572 HydrophobicContact CB-CE 3.53Å; Q570-M572 HydrophobicContact CG-CE 4.4Å; Q570-F582 HydrophobicContact CB-CE1 4.04Å; Q570-F582 HydrophobicContact CB-CZ 4.22Å; Q570-F582 HydrophobicContact CG-CD1 4.45Å; Q570-F582 HydrophobicContact CG-CE1 3.7Å; Q570-F582 HydrophobicContact CG-CZ 4.26Å
571	L	93.2	Very high	80.7	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.6	174.3	-80.9	81.1	0	0	0	108.1	I364 Y366 F375 E376 L379 Y386 K387 I388 S389 V569	I364-L571 HydrophobicContact CB-CG 4.41Å; Y366-L571 HydrophobicContact CE1-CB 4.04Å; F375-L571 HydrophobicContact CB-CD2 3.87Å; E376-L571 HydrophobicContact CG-CD2 4.06Å; L379-L571 HydrophobicContact CD1-CD1 3.4Å; L379-L571 HydrophobicContact CD1-CD2 4.08Å; L379-L571 HydrophobicContact CD1-CG 4.28Å; Y386-L571 HydrophobicContact CD2-CD1 3.96Å; Y386-L571 HydrophobicContact CD2-CD2 4.48Å; Y386-L571 HydrophobicContact CG-CD1 4.12Å; K387-L571 PolarHBondContact O-N 2.75Å; I388-L571 CarbonylContact C-O 3.45Å; I388-L571 WeakPolarHBondContact CA-O 3.23Å; I388-L571 HydrophobicContact CG1-CB 4.27Å; S389-L571 PolarHBondContact N-O 3.38Å; V569-L571 HydrophobicContact CB-CD1 4.46Å; V569-L571 HydrophobicContact CG1-CD1 4.01Å
572	M	92.8	Very high	82.9	Confident	1 Å²	1	48 Å²	48	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	160	-179.4	65.2	-172.6	73.6	0	0	113.4	I364 L365 Y366 Q570 A576 L580 F582	I364-M572 PolarHBondContact O-N 3.41Å; I364-M572 VanDerWaalsContact O-N 3.11Å; L365-M572 WeakPolarHBondContact CA-O 3.34Å; L365-M572 HydrophobicContact CD2-CG 3.32Å; L365-M572 HydrophobicContact CD2-SD 3.99Å; Y366-M572 VanDerWaalsContact CZ-C 3.46Å; Y366-M572 PolarHBondContact N-O 3.37Å; Y366-M572 VanDerWaalsContact N-O 3.16Å; Y366-M572 PolarHBondContact OH-N 2.87Å; Q570-M572 HydrophobicContact CB-CE 3.53Å; Q570-M572 HydrophobicContact CG-CE 4.4Å; M572-A576 HydrophobicContact CB-CB 4.12Å; M572-L580 HydrophobicContact CE-CD1 3.97Å; M572-L580 HydrophobicContact SD-CD1 3.69Å; M572-F582 HydrophobicContact CE-CE1 4.38Å; M572-F582 HydrophobicContact CE-CE2 3.79Å; M572-F582 HydrophobicContact CE-CZ 3.4Å; M572-F582 HydrophobicContact SD-CE2 3.95Å; M572-F582 HydrophobicContact SD-CZ 4.13Å
573	T	92.4	Very high	85.2	Confident	21 Å²	21	45.2 Å²	45.2	13%	0.129	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	155.8	169.8	60.6	0	0	0	0	111	Y366 N369 H575 A576 S577	Y366-T573 HydrophobicContact CD2-CG2 3.96Å; Y366-T573 HydrophobicContact CE2-CG2 3.68Å; Y366-T573 CarbonylContact O-C 3.49Å; Y366-T573 WeakPolarHBondContact O-CA 3.12Å; N369-T573 WeakPolarHBondContact OD1-CG2 3.36Å; T573-H575 PolarHBondContact O-N 2.83Å; T573-A576 PolarHBondContact O-N 2.9Å; T573-A576 WeakPolarHBondContact OG1-CB 3.43Å; T573-A576 PolarHBondContact OG1-N 2.93Å; T573-A576 VanDerWaalsContact OG1-N 3.11Å; T573-S577 PolarHBondContact O-N 3.46Å
574	L	94.4	Very high	87.4	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.016	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-38.6	171	-72.1	165.2	0	0	0	111.7	L365 Y366 S577 M587 L595 L612	L365-L574 HydrophobicContact CB-CD2 3.9Å; L365-L574 HydrophobicContact CB-CG 4.5Å; L365-L574 HydrophobicContact CD1-CD2 4.21Å; Y366-L574 PolarHBondContact O-N 2.77Å; L574-S577 WeakPolarHBondContact O-CB 3.35Å; L574-S577 PolarHBondContact O-N 2.97Å; L574-S577 PolarHBondContact O-OG 3.35Å; L574-M587 HydrophobicContact CD2-CE 3.99Å; L574-L595 HydrophobicContact CD1-CD1 3.91Å; L574-L595 HydrophobicContact CD1-CD2 3.71Å; L574-L595 HydrophobicContact CD1-CG 4.44Å; L574-L612 HydrophobicContact CB-CD1 3.61Å; L574-L612 HydrophobicContact CB-CD2 4.14Å; L574-L612 HydrophobicContact CB-CG 3.69Å; L574-L612 HydrophobicContact CD1-CD2 4.16Å; L574-L612 HydrophobicContact CD1-CG 4.03Å; L574-L612 HydrophobicContact CG-CG 4.47Å
575	H	89	Confident	89.6	Confident	23 Å²	23	34 Å²	34	11%	0.106	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-48.8	174.3	-64.4	89.9	0	0	0	112.3	I264 Y265 W267 T573 S577 K578	I264-H575 PolarHBondContact O-CD2 2.96Å; I264-H575 PolarHBondContact O-NE2 3.15Å; Y265-H575 HydrophobicContact CE1-CB 4.41Å; Y265-H575 PolarHBondContact OH-O 2.72Å; W267-H575 AromaticContact NE1-CD2 3.96Å; W267-H575 AromaticContact NE1-NE2 3.63Å; T573-H575 PolarHBondContact O-N 2.83Å; H575-S577 PolarHBondContact O-N 3.28Å; H575-K578 WeakPolarHBondContact O-CB 3.24Å; H575-K578 PolarHBondContact O-N 3.36Å
576	A	85.7	Confident	91.2	Very high	37 Å²	37	26.8 Å²	26.8	31%	0.306	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-18.5	179.7	0	0	0	0	0	113	M572 T573 K578	M572-A576 HydrophobicContact CB-CB 4.12Å; T573-A576 PolarHBondContact O-N 2.9Å; T573-A576 WeakPolarHBondContact OG1-CB 3.43Å; T573-A576 PolarHBondContact OG1-N 2.93Å; T573-A576 VanDerWaalsContact OG1-N 3.11Å; A576-K578 VanDerWaalsContact C-N 3.26Å; A576-K578 PolarHBondContact O-N 2.95Å
577	S	89.3	Confident	92.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-16.7	176.2	85.9	0	0	0	0	113.7	T573 L574 H575 G579 L580 R619	T573-S577 PolarHBondContact O-N 3.46Å; L574-S577 WeakPolarHBondContact O-CB 3.35Å; L574-S577 PolarHBondContact O-N 2.97Å; L574-S577 PolarHBondContact O-OG 3.35Å; H575-S577 PolarHBondContact O-N 3.28Å; S577-G579 PolarHBondContact O-N 2.99Å; S577-L580 WeakPolarHBondContact O-CB 3.41Å; S577-L580 PolarHBondContact O-N 3.16Å; S577-R619 WeakPolarHBondContact O-CD 3.3Å; S577-R619 WeakPolarHBondContact OG-CG 3.45Å
578	K	85.5	Confident	92.6	Very high	28 Å²	28	20 Å²	20	12%	0.122	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	135.4	-177.6	-171.5	175.9	178.3	171.3	0	110.8	E232 D235 Q262 I264 Y265 H575 A576 L580 V615	E232-K578 WeakPolarHBondContact OE2-CE 3.47Å; E232-K578 IonicContact OE2-NZ 3.87Å; D235-K578 IonicContact OD1-NZ 2.96Å; D235-K578 PolarHBondContact OD1-NZ 3.3Å; D235-K578 IonicContact OD2-NZ 3.42Å; D235-K578 PolarHBondContact OD2-NZ 2.93Å; Q262-K578 WeakPolarHBondContact O-CE 3.41Å; Q262-K578 PolarHBondContact O-NZ 3.42Å; I264-K578 HydrophobicContact CD1-CB 4.2Å; I264-K578 HydrophobicContact CD1-CD 3.98Å; I264-K578 HydrophobicContact CG1-CD 4.09Å; Y265-K578 HydrophobicContact CE2-CD 3.97Å; H575-K578 WeakPolarHBondContact O-CB 3.24Å; H575-K578 PolarHBondContact O-N 3.36Å; A576-K578 VanDerWaalsContact C-N 3.26Å; A576-K578 PolarHBondContact O-N 2.95Å; K578-L580 PolarHBondContact O-N 3.05Å; K578-V615 HydrophobicContact CB-CG1 4.38Å
579	G	80.3	Confident	92.8	Very high	46 Å²	46	18.9 Å²	18.9	47%	0.474	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	-19.4	-175.8	0	0	0	0	0	115.2	S577	S577-G579 PolarHBondContact O-N 2.99Å
580	L	86.4	Confident	92.9	Very high	44 Å²	44	19 Å²	19	23%	0.23	11%	0.111	C	C	.	.			trans	-85	174	179.5	-52.5	179.5	0	0	0	112.3	R295 M572 S577 K578 F582 R619	R295-L580 PolarHBondContact NH1-O 2.58Å; M572-L580 HydrophobicContact CE-CD1 3.97Å; M572-L580 HydrophobicContact SD-CD1 3.69Å; S577-L580 WeakPolarHBondContact O-CB 3.41Å; S577-L580 PolarHBondContact O-N 3.16Å; K578-L580 PolarHBondContact O-N 3.05Å; L580-F582 HydrophobicContact CB-CE2 3.86Å; L580-F582 HydrophobicContact CB-CZ 4.04Å; L580-F582 HydrophobicContact CD1-CE2 4.34Å; L580-F582 HydrophobicContact CD1-CZ 4.05Å; L580-R619 VanDerWaalsContact O-CD 3.3Å; L580-R619 WeakPolarHBondContact O-CD 3.4Å; L580-R619 PolarHBondContact O-NH1 3.42Å
581	E	91.4	Very high	93.1	Very high	91 Å²	91	17.8 Å²	17.8	43%	0.425	11%	0.105	S	C	.	.			trans	-155.5	141.7	176	54.2	-171.8	-131.7	0	0	110.5	R295 R619 Q621	R295-E581 HydrophobicContact CG-CB 4.18Å; R295-E581 IonicContact CZ-OE2 2.77Å; R295-E581 IonicContact NE-OE2 3.75Å; R295-E581 PolarHBondContact NE-OE2 3.33Å; R295-E581 IonicContact NH2-OE2 3.74Å; R295-E581 PolarHBondContact NH2-OE2 2.86Å; E581-R619 WeakPolarHBondContact CA-O 3.46Å; E581-Q621 HydrophobicContact CB-CG 4.32Å; E581-Q621 PolarHBondContact OE1-NE2 3.05Å
582	F	95.5	Very high	93.2	Very high	18 Å²	18	19.8 Å²	19.8	8%	0.079	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	140.9	-178.3	-58.5	-76.7	0	0	0	110.5	A363 Q570 M572 L580 Y584 V585 R619 A620 Q621	A363-F582 HydrophobicContact CB-CB 4Å; A363-F582 HydrophobicContact CB-CD1 3.88Å; A363-F582 HydrophobicContact CB-CD2 3.34Å; A363-F582 HydrophobicContact CB-CE1 4.24Å; A363-F582 HydrophobicContact CB-CE2 3.72Å; A363-F582 HydrophobicContact CB-CG 3.43Å; A363-F582 VanDerWaalsContact CB-CG 3.43Å; A363-F582 HydrophobicContact CB-CZ 4.17Å; Q570-F582 HydrophobicContact CB-CE1 4.04Å; Q570-F582 HydrophobicContact CB-CZ 4.22Å; Q570-F582 HydrophobicContact CG-CD1 4.45Å; Q570-F582 HydrophobicContact CG-CE1 3.7Å; Q570-F582 HydrophobicContact CG-CZ 4.26Å; M572-F582 HydrophobicContact CE-CE1 4.38Å; M572-F582 HydrophobicContact CE-CE2 3.79Å; M572-F582 HydrophobicContact CE-CZ 3.4Å; M572-F582 HydrophobicContact SD-CE2 3.95Å; M572-F582 HydrophobicContact SD-CZ 4.13Å; L580-F582 HydrophobicContact CB-CE2 3.86Å; L580-F582 HydrophobicContact CB-CZ 4.04Å; L580-F582 HydrophobicContact CD1-CE2 4.34Å; L580-F582 HydrophobicContact CD1-CZ 4.05Å; F582-Y584 VanDerWaalsContact C-N 3.3Å; F582-Y584 PolarHBondContact O-N 3.1Å; F582-V585 HydrophobicContact CB-CG2 3.89Å; F582-V585 HydrophobicContact CD2-CG2 4.48Å; F582-R619 PolarHBondContact N-O 3.2Å; F582-A620 CarbonylContact O-C 3.25Å; F582-A620 WeakPolarHBondContact O-CA 3.48Å; F582-Q621 PolarHBondContact O-N 3.44Å
583	P	97	Very high	93.1	Very high	19 Å²	19	20.3 Å²	20.3	12%	0.123	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	-46.2	172.3	-29.9	36.7	0	0	0	113.3	D361 K622 E623	D361-P583 HydrophobicContact CB-CB 4.08Å; D361-P583 HydrophobicContact CB-CG 3.87Å; D361-P583 WeakPolarHBondContact O-CD 3.29Å; P583-K622 HydrophobicContact CB-CD 4.39Å; P583-K622 WeakPolarHBondContact O-CB 3.26Å; P583-K622 PolarHBondContact O-N 2.98Å; P583-E623 PolarHBondContact O-N 3.43Å
584	Y	98	Very high	93	Very high	20 Å²	20	20.4 Å²	20.4	8%	0.078	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	123.8	-174.1	-47.4	-71	0	0	0	110.3	H351 T357 D361 Y362 A363 F582 K622 E623	H351-Y584 AromaticContact CE1-CD1 3.69Å; H351-Y584 AromaticContact CE1-CE1 3.36Å; H351-Y584 WeakPolarHBondContact CE1-CE1 3.31Å; H351-Y584 AromaticContact CE1-CE2 3.81Å; H351-Y584 AromaticContact CE1-CZ 3.44Å; H351-Y584 VanDerWaalsContact CE1-CZ 3.44Å; H351-Y584 AromaticContact NE2-CD1 3.71Å; H351-Y584 AromaticContact NE2-CE1 3.51Å; T357-Y584 HydrophobicContact CG2-CE2 3.5Å; T357-Y584 WeakPolarHBondContact CG2-OH 3.36Å; D361-Y584 HydrophobicContact CB-CD2 3.85Å; D361-Y584 HydrophobicContact CB-CE2 3.99Å; D361-Y584 PolarHBondContact O-N 3.4Å; Y362-Y584 WeakPolarHBondContact CA-O 3.24Å; Y362-Y584 HydrophobicContact CD1-CD2 4.12Å; Y362-Y584 HydrophobicContact CD1-CG 4.2Å; Y362-Y584 AromaticContact CE1-CD2 3.83Å; Y362-Y584 HydrophobicContact CE1-CD2 3.83Å; Y362-Y584 AromaticContact CE1-CG 3.98Å; Y362-Y584 HydrophobicContact CE1-CG 3.98Å; A363-Y584 PolarHBondContact N-O 2.87Å; F582-Y584 VanDerWaalsContact C-N 3.3Å; F582-Y584 PolarHBondContact O-N 3.1Å; Y584-K622 HydrophobicContact CD1-CB 4.5Å; Y584-K622 HydrophobicContact CE1-CB 4.1Å; Y584-K622 HydrophobicContact CE1-CD 4.17Å; Y584-E623 HydrophobicContact CD1-CB 3.97Å; Y584-E623 HydrophobicContact CD1-CG 3.85Å; Y584-E623 HydrophobicContact CE1-CG 3.94Å
585	V	98.6	Very high	93.1	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.012	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133.8	-177.4	174.8	0	0	0	0	110.6	A363 L365 F582 M587 R619 A620 E623 L624 T625	A363-V585 WeakPolarHBondContact O-CA 3.22Å; L365-V585 HydrophobicContact CD1-CG1 3.52Å; L365-V585 HydrophobicContact CG-CG1 3.81Å; F582-V585 HydrophobicContact CB-CG2 3.89Å; F582-V585 HydrophobicContact CD2-CG2 4.48Å; V585-M587 HydrophobicContact CG1-CG 4.1Å; V585-R619 HydrophobicContact CG2-CB 4.45Å; V585-A620 HydrophobicContact CB-CB 3.88Å; V585-A620 HydrophobicContact CG2-CB 3.75Å; V585-E623 PolarHBondContact N-O 2.82Å; V585-E623 VanDerWaalsContact N-O 3.1Å; V585-L624 HydrophobicContact CB-CD1 3.87Å; V585-L624 HydrophobicContact CG1-CD1 3.71Å; V585-L624 WeakPolarHBondContact O-CA 3.24Å; V585-T625 PolarHBondContact O-N 3.38Å
586	Y	98.7	Very high	93.4	Very high	10 Å²	10	19.4 Å²	19.4	4%	0.039	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	113.2	165.7	-64.8	-90.2	0	0	0	109	V344 E347 L348 Y362 A363 I364 L365 T625	V344-Y586 HydrophobicContact CG1-CD1 3.9Å; V344-Y586 HydrophobicContact CG1-CD2 4.23Å; V344-Y586 HydrophobicContact CG1-CE1 4.36Å; V344-Y586 HydrophobicContact CG1-CG 3.83Å; V344-Y586 HydrophobicContact CG2-CD1 4.22Å; E347-Y586 HydrophobicContact CB-CE1 4.29Å; L348-Y586 HydrophobicContact CB-CE2 4.29Å; L348-Y586 HydrophobicContact CD1-CE2 4.47Å; L348-Y586 PolarHBondContact N-OH 2.73Å; Y362-Y586 HydrophobicContact CD1-CE2 4.02Å; A363-Y586 PolarHBondContact O-N 3.48Å; I364-Y586 WeakPolarHBondContact CA-O 3.41Å; L365-Y586 PolarHBondContact N-O 2.9Å; Y586-T625 CarbonylContact C-O 3.49Å; Y586-T625 VanDerWaalsContact CA-O 3.27Å; Y586-T625 WeakPolarHBondContact CA-O 3.43Å; Y586-T625 HydrophobicContact CD1-CG2 3.82Å; Y586-T625 HydrophobicContact CE1-CG2 3.93Å
587	M	98.4	Very high	93.8	Very high	1 Å²	1	21 Å²	21	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	108.8	170.2	-79.3	-178.6	66.7	0	0	109	L365 L574 V585 M590 L595 G616 I617 L624 T625 F626 T627	L365-M587 HydrophobicContact CB-CG 4.34Å; L365-M587 HydrophobicContact CD1-CG 4.44Å; L574-M587 HydrophobicContact CD2-CE 3.99Å; V585-M587 HydrophobicContact CG1-CG 4.1Å; M587-M590 HydrophobicContact CB-SD 4.22Å; M587-M590 HydrophobicContact CE-CE 4.49Å; M587-M590 HydrophobicContact CE-SD 3.9Å; M587-L595 HydrophobicContact CE-CD2 4.09Å; M587-G616 VanDerWaalsContact SD-C 3.54Å; M587-I617 HydrophobicContact CE-CG1 4.47Å; M587-I617 HydrophobicContact SD-CG1 3.92Å; M587-L624 HydrophobicContact CB-CD1 4.46Å; M587-L624 HydrophobicContact CG-CD1 3.98Å; M587-L624 HydrophobicContact SD-CD1 4.03Å; M587-T625 PolarHBondContact N-O 3.42Å; M587-F626 HydrophobicContact CB-CD1 3.73Å; M587-F626 HydrophobicContact CB-CE1 4.11Å; M587-F626 HydrophobicContact CE-CE1 4.11Å; M587-F626 HydrophobicContact CG-CE1 4.47Å; M587-F626 CarbonylContact O-C 3.49Å; M587-F626 VanDerWaalsContact O-CA 3.31Å; M587-F626 WeakPolarHBondContact O-CA 3.32Å; M587-F626 HydrophobicContact SD-CD1 4.31Å; M587-F626 HydrophobicContact SD-CE1 3.69Å; M587-T627 PolarHBondContact O-N 2.71Å
588	V	97.9	Very high	93.8	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.03	14%	0.135	C	C	.	.			trans	-105.9	151.7	-168.1	-53.6	0	0	0	0	112.7	V344 I364 L365 F375 T627	V344-V588 HydrophobicContact CG2-CG1 4.14Å; I364-V588 HydrophobicContact CG2-CG1 3.76Å; I364-V588 HydrophobicContact CG2-CG2 4.05Å; L365-V588 WeakPolarHBondContact O-CG2 3.41Å; L365-V588 PolarHBondContact O-N 2.93Å; F375-V588 HydrophobicContact CE1-CB 4.46Å; F375-V588 HydrophobicContact CE1-CG1 3.92Å; F375-V588 HydrophobicContact CE2-CB 4.2Å; F375-V588 HydrophobicContact CE2-CG1 4.46Å; F375-V588 HydrophobicContact CE2-CG2 3.69Å; F375-V588 HydrophobicContact CZ-CB 3.67Å; F375-V588 HydrophobicContact CZ-CG1 3.63Å; F375-V588 HydrophobicContact CZ-CG2 3.66Å; V588-T627 VanDerWaalsContact CA-OG1 3.29Å; V588-T627 WeakPolarHBondContact CA-OG1 3.44Å; V588-T627 WeakPolarHBondContact CB-OG1 3.49Å; V588-T627 WeakPolarHBondContact CG1-OG1 3.39Å
589	G	96	Very high	93.9	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.01	15%	0.145	C	C	.	.			trans	65	46.2	-175.4	0	0	0	0	0	113.8	E340 E591 F594 T627	E340-G589 PolarHBondContact OE1-N 3.48Å; G589-E591 PolarHBondContact O-N 2.91Å; G589-F594 WeakPolarHBondContact O-CB 3.35Å; G589-T627 PolarHBondContact N-O 3.38Å; G589-T627 VanDerWaalsContact N-O 3.14Å
590	M	97.8	Very high	94.3	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.015	13%	0.125	C	C	.	.			trans	-76.6	68.4	176.4	-67.2	-64.8	-59.4	0	0	111.5	M587 L595 F626 T627 S644 F646 L647	M587-M590 HydrophobicContact CB-SD 4.22Å; M587-M590 HydrophobicContact CE-CE 4.49Å; M587-M590 HydrophobicContact CE-SD 3.9Å; M590-L595 HydrophobicContact CE-CD2 4.09Å; M590-L595 HydrophobicContact SD-CD2 3.59Å; M590-L595 VanDerWaalsContact SD-CD2 3.59Å; M590-F626 HydrophobicContact CE-CD1 3.94Å; M590-F626 HydrophobicContact CE-CE1 4.11Å; M590-F626 HydrophobicContact CG-CB 4.04Å; M590-F626 HydrophobicContact CG-CD1 3.75Å; M590-F626 HydrophobicContact CG-CG 4.35Å; M590-F626 HydrophobicContact SD-CD1 3.9Å; M590-F626 HydrophobicContact SD-CE1 4.38Å; M590-T627 WeakPolarHBondContact CB-O 3.04Å; M590-T627 PolarHBondContact N-O 2.87Å; M590-S644 VanDerWaalsContact C-CB 3.44Å; M590-S644 WeakPolarHBondContact O-CB 3.22Å; M590-S644 PolarHBondContact O-N 2.83Å; M590-F646 HydrophobicContact CE-CB 4.38Å; M590-L647 HydrophobicContact CB-CD1 3.69Å; M590-L647 HydrophobicContact CB-CD2 4.37Å; M590-L647 HydrophobicContact CB-CG 4.07Å; M590-L647 HydrophobicContact CE-CD2 3.94Å; M590-L647 HydrophobicContact CE-CG 3.99Å; M590-L647 HydrophobicContact CG-CD2 4.46Å
591	E	96.1	Very high	94.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-132.1	148.1	-171.5	-68.4	158.4	-136.5	0	0	110.5	G589 G593 F594 L595 L628 C629 R632 P641 E642	G589-E591 PolarHBondContact O-N 2.91Å; E591-G593 PolarHBondContact O-N 2.98Å; E591-F594 HydrophobicContact CB-CB 4.41Å; E591-F594 PolarHBondContact O-N 2.96Å; E591-F594 VanDerWaalsContact O-N 3.11Å; E591-L595 CarbonylContact O-C 3.59Å; E591-L595 PolarHBondContact O-N 2.84Å; E591-L628 HydrophobicContact CG-CB 3.85Å; E591-C629 WeakPolarHBondContact OE1-CB 3.46Å; E591-C629 PolarHBondContact OE1-N 2.93Å; E591-R632 IonicContact OE1-CZ 3.19Å; E591-R632 VanDerWaalsContact OE1-CZ 3.28Å; E591-R632 IonicContact OE1-NE 3.35Å; E591-R632 PolarHBondContact OE1-NE 3.11Å; E591-R632 IonicContact OE1-NH2 3.43Å; E591-R632 PolarHBondContact OE1-NH2 3.44Å; E591-R632 WeakPolarHBondContact OE2-CD 3.36Å; E591-R632 IonicContact OE2-CZ 2.86Å; E591-R632 IonicContact OE2-NE 3.97Å; E591-R632 PolarHBondContact OE2-NE 3.26Å; E591-R632 IonicContact OE2-NH2 2.88Å; E591-P641 HydrophobicContact CB-CB 3.98Å; E591-P641 HydrophobicContact CB-CG 4.47Å; E591-P641 HydrophobicContact CG-CB 4.06Å; E591-P641 HydrophobicContact CG-CG 4.03Å; E591-P641 WeakPolarHBondContact OE2-CG 3.48Å; E591-E642 WeakPolarHBondContact CA-O 3.41Å
592	E	95.7	Very high	94.6	Very high	43 Å²	43	25.7 Å²	25.7	20%	0.201	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	137.7	167.9	-73.2	-67.4	139.1	0	0	110.4	F594 P596 I601 E642 R645	E592-F594 VanDerWaalsContact C-N 3.27Å; E592-F594 PolarHBondContact O-N 2.82Å; E592-P596 WeakPolarHBondContact OE1-CD 3.03Å; E592-I601 VanDerWaalsContact OE2-CD1 3.31Å; E592-I601 WeakPolarHBondContact OE2-CD1 3.15Å; E592-E642 HydrophobicContact CB-CB 4.46Å; E592-E642 HydrophobicContact CG-CB 4.34Å; E592-E642 PolarHBondContact N-O 2.89Å; E592-R645 VanDerWaalsContact OE1-CB 3.24Å; E592-R645 WeakPolarHBondContact OE1-CB 3.43Å; E592-R645 VanDerWaalsContact OE1-CG 3.29Å; E592-R645 WeakPolarHBondContact OE1-CG 3.24Å; E592-R645 IonicContact OE1-CZ 2.57Å; E592-R645 PolarHBondContact OE1-N 2.93Å; E592-R645 IonicContact OE1-NE 2.69Å; E592-R645 PolarHBondContact OE1-NE 2.79Å; E592-R645 IonicContact OE1-NH2 3.1Å; E592-R645 IonicContact OE2-CZ 3.8Å; E592-R645 IonicContact OE2-NE 2.96Å; E592-R645 PolarHBondContact OE2-NE 2.81Å; E592-R645 IonicContact OE2-NH2 2.81Å; E592-R645 PolarHBondContact OE2-NH2 2.76Å
593	G	91	Very high	94.2	Very high	11 Å²	11	31.5 Å²	31.5	11%	0.113	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	88.4	-23.5	-173.1	0	0	0	0	0	113.9	E591 P596 H597 Q598	E591-G593 PolarHBondContact O-N 2.98Å; G593-P596 CarbonylContact C-O 3.55Å; G593-P596 VanDerWaalsContact C-O 3.25Å; G593-P596 WeakPolarHBondContact CA-O 3.46Å; G593-P596 PolarHBondContact N-O 2.91Å; G593-H597 WeakPolarHBondContact O-CA 3.31Å; G593-Q598 PolarHBondContact O-N 3.27Å; G593-Q598 VanDerWaalsContact O-N 3.1Å
594	F	90.6	Very high	93.9	Very high	23 Å²	23	37.3 Å²	37.3	10%	0.101	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-101	-57	172.9	-87.7	32.2	0	0	0	111.5	R367 H370 Q371 G589 E591 E592 P596 H597	R367-F594 VanDerWaalsContact CG-O 3.23Å; R367-F594 WeakPolarHBondContact CG-O 3.25Å; H370-F594 AromaticContact NE2-CE2 3.78Å; H370-F594 AromaticContact NE2-CZ 3.56Å; Q371-F594 HydrophobicContact CG-CD2 4.35Å; Q371-F594 HydrophobicContact CG-CE2 3.95Å; G589-F594 WeakPolarHBondContact O-CB 3.35Å; E591-F594 HydrophobicContact CB-CB 4.41Å; E591-F594 PolarHBondContact O-N 2.96Å; E591-F594 VanDerWaalsContact O-N 3.11Å; E592-F594 VanDerWaalsContact C-N 3.27Å; E592-F594 PolarHBondContact O-N 2.82Å; F594-P596 CarbonylContact C-O 3.55Å; F594-P596 PolarHBondContact N-O 2.85Å; F594-H597 PolarHBondContact O-N 3.41Å
595	L	95.8	Very high	93.5	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.026	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.2	99.3	172.9	-173.9	71.9	0	0	0	108.1	L574 M587 M590 E591 E609 L612 A613 S644 F646	L574-L595 HydrophobicContact CD1-CD1 3.91Å; L574-L595 HydrophobicContact CD1-CD2 3.71Å; L574-L595 HydrophobicContact CD1-CG 4.44Å; M587-L595 HydrophobicContact CE-CD2 4.09Å; M590-L595 HydrophobicContact CE-CD2 4.09Å; M590-L595 HydrophobicContact SD-CD2 3.59Å; M590-L595 VanDerWaalsContact SD-CD2 3.59Å; E591-L595 CarbonylContact O-C 3.59Å; E591-L595 PolarHBondContact O-N 2.84Å; L595-E609 WeakPolarHBondContact CD1-OE2 3.47Å; L595-L612 HydrophobicContact CD1-CD2 4.19Å; L595-A613 HydrophobicContact CD2-CB 4.11Å; L595-S644 WeakPolarHBondContact O-CB 3.28Å; L595-S644 PolarHBondContact O-OG 2.93Å; L595-F646 HydrophobicContact CD1-CE2 4.23Å; L595-F646 HydrophobicContact CD2-CD2 4.46Å; L595-F646 HydrophobicContact CG-CD2 3.98Å; L595-F646 HydrophobicContact CG-CE2 3.98Å
596	P	96.4	Very high	93.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	cis	-69.5	146	6.7	27.2	-32.9	0	0	0	113.5	E592 G593 F594 I601 I606 E609 R645 F646	E592-P596 WeakPolarHBondContact OE1-CD 3.03Å; G593-P596 CarbonylContact C-O 3.55Å; G593-P596 VanDerWaalsContact C-O 3.25Å; G593-P596 WeakPolarHBondContact CA-O 3.46Å; G593-P596 PolarHBondContact N-O 2.91Å; F594-P596 CarbonylContact C-O 3.55Å; F594-P596 PolarHBondContact N-O 2.85Å; P596-I601 HydrophobicContact CB-CG1 4.14Å; P596-I601 HydrophobicContact CG-CD1 4.07Å; P596-I601 HydrophobicContact CG-CG1 3.99Å; P596-I606 HydrophobicContact CB-CD1 4.12Å; P596-I606 HydrophobicContact CG-CD1 4.23Å; P596-E609 HydrophobicContact CB-CB 3.77Å; P596-E609 HydrophobicContact CB-CG 4Å; P596-R645 HydrophobicContact CG-CG 4.41Å; P596-F646 HydrophobicContact CB-CE2 4Å; P596-F646 HydrophobicContact CB-CZ 3.87Å; P596-F646 HydrophobicContact CG-CE2 4.3Å; P596-F646 HydrophobicContact CG-CZ 4.15Å
597	H	92.5	Very high	93	Very high	71 Å²	71	41.1 Å²	41.1	33%	0.329	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	-66.9	143.2	176.3	-170	-96.2	0	0	0	112	G593 F594 S599 S600 I601 E609	G593-H597 WeakPolarHBondContact O-CA 3.31Å; F594-H597 PolarHBondContact O-N 3.41Å; H597-S599 VanDerWaalsContact C-N 3.32Å; H597-S599 PolarHBondContact ND1-N 3.04Å; H597-S599 PolarHBondContact ND1-OG 3.14Å; H597-S599 PolarHBondContact O-N 2.98Å; H597-S600 WeakPolarHBondContact O-CB 3.49Å; H597-S600 PolarHBondContact O-N 2.88Å; H597-I601 PolarHBondContact O-N 2.68Å; H597-E609 PolarHBondContact N-OE2 3.43Å; H597-E609 VanDerWaalsContact N-OE2 3.13Å
598	Q	90.1	Very high	92.7	Very high	91 Å²	91	41.6 Å²	41.6	43%	0.425	22%	0.217	S	C	.	.	H	α-helix	trans	-52.8	-44.7	-175.4	-172.4	61.1	50.4	0	0	113.6	G593 S600 I601 D602	G593-Q598 PolarHBondContact O-N 3.27Å; G593-Q598 VanDerWaalsContact O-N 3.1Å; Q598-S600 VanDerWaalsContact C-N 3.27Å; Q598-S600 PolarHBondContact O-N 3.41Å; Q598-I601 WeakPolarHBondContact O-CB 3.41Å; Q598-I601 PolarHBondContact O-N 2.97Å; Q598-D602 PolarHBondContact NE2-OD1 3.25Å; Q598-D602 VanDerWaalsContact O-CG 3.24Å; Q598-D602 PolarHBondContact O-N 2.76Å
599	S	86.7	Confident	92.6	Very high	47 Å²	47	41.5 Å²	41.5	33%	0.329	22%	0.216	S	C	.	.	H	α-helix	trans	-58.9	-37.9	178.6	61.6	0	0	0	0	113.1	H597 I601 D602 E603	H597-S599 VanDerWaalsContact C-N 3.32Å; H597-S599 PolarHBondContact ND1-N 3.04Å; H597-S599 PolarHBondContact ND1-OG 3.14Å; H597-S599 PolarHBondContact O-N 2.98Å; S599-I601 VanDerWaalsContact C-N 3.31Å; S599-D602 PolarHBondContact O-N 3.34Å; S599-E603 WeakPolarHBondContact O-CB 3.49Å; S599-E603 VanDerWaalsContact O-CG 3.27Å; S599-E603 WeakPolarHBondContact O-CG 3.29Å; S599-E603 PolarHBondContact O-N 3.07Å
600	S	90.5	Very high	92.7	Very high	8 Å²	8	42.3 Å²	42.3	6%	0.056	22%	0.219	C	C	.	.	H	α-helix	trans	-73.3	-26.8	178.7	-57.3	0	0	0	0	112.1	H597 Q598 D604 N605 E609	H597-S600 WeakPolarHBondContact O-CB 3.49Å; H597-S600 PolarHBondContact O-N 2.88Å; Q598-S600 VanDerWaalsContact C-N 3.27Å; Q598-S600 PolarHBondContact O-N 3.41Å; S600-D604 PolarHBondContact O-N 2.74Å; S600-N605 PolarHBondContact O-N 3.36Å; S600-E609 VanDerWaalsContact CB-CG 3.46Å; S600-E609 WeakPolarHBondContact OG-CG 3.41Å
601	I	91.5	Very high	92.6	Very high	43 Å²	43	43.7 Å²	43.7	22%	0.221	22%	0.223	C	C	.	.	H	α-helix	trans	-68.6	-47.3	170.8	-58.5	170.3	0	0	0	109.6	E592 P596 H597 Q598 S599 E603 D604 I606	E592-I601 VanDerWaalsContact OE2-CD1 3.31Å; E592-I601 WeakPolarHBondContact OE2-CD1 3.15Å; P596-I601 HydrophobicContact CB-CG1 4.14Å; P596-I601 HydrophobicContact CG-CD1 4.07Å; P596-I601 HydrophobicContact CG-CG1 3.99Å; H597-I601 PolarHBondContact O-N 2.68Å; Q598-I601 WeakPolarHBondContact O-CB 3.41Å; Q598-I601 PolarHBondContact O-N 2.97Å; S599-I601 VanDerWaalsContact C-N 3.31Å; I601-E603 VanDerWaalsContact C-N 3.3Å; I601-E603 PolarHBondContact O-N 3.13Å; I601-D604 PolarHBondContact O-N 2.97Å; I601-I606 HydrophobicContact CB-CD1 4.23Å; I601-I606 HydrophobicContact CG1-CD1 3.78Å
602	D	91.4	Very high	92.5	Very high	118 Å²	118	43.8 Å²	43.8	63%	0.631	22%	0.224	S	C	*	.	H	α-helix	trans	-66.5	-32.7	-178	-58.2	-25.2	0	0	0	112.2	Q598 S599	Q598-D602 PolarHBondContact NE2-OD1 3.25Å; Q598-D602 VanDerWaalsContact O-CG 3.24Å; Q598-D602 PolarHBondContact O-N 2.76Å; S599-D602 PolarHBondContact O-N 3.34Å
603	E	88.3	Confident	92.7	Very high	140 Å²	140	41.8 Å²	41.8	65%	0.654	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	2.3	178.5	-68.9	173.6	-174.1	0	0	114.2	S599 I601 N605	S599-E603 WeakPolarHBondContact O-CB 3.49Å; S599-E603 VanDerWaalsContact O-CG 3.27Å; S599-E603 WeakPolarHBondContact O-CG 3.29Å; S599-E603 PolarHBondContact O-N 3.07Å; I601-E603 VanDerWaalsContact C-N 3.3Å; I601-E603 PolarHBondContact O-N 3.13Å; E603-N605 PolarHBondContact O-N 3.26Å
604	D	89.8	Confident	92.9	Very high	142 Å²	142	41.3 Å²	41.3	76%	0.759	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	33.7	-174	-160.8	30.5	0	0	0	113.8	S600 I601	S600-D604 PolarHBondContact O-N 2.74Å; I601-D604 PolarHBondContact O-N 2.97Å
605	N	88.6	Confident	93.2	Very high	51 Å²	51	40.2 Å²	40.2	27%	0.273	21%	0.205	S	C	.	.			trans	-104.8	44.9	178.4	-170	17.1	0	0	0	111.5	S600 E603 D607 E608	S600-N605 PolarHBondContact O-N 3.36Å; E603-N605 PolarHBondContact O-N 3.26Å; N605-D607 PolarHBondContact O-N 2.88Å; N605-E608 PolarHBondContact ND2-OE2 3.3Å; N605-E608 PolarHBondContact O-N 3.3Å; N605-E608 WeakPolarHBondContact OD1-CB 3.27Å
606	I	94.8	Very high	93.2	Very high	12 Å²	12	40 Å²	40	6%	0.062	20%	0.203	C	C	.	.	H	α-helix	trans	-64.2	-30	-179.4	-58.5	-61.5	0	0	0	111.5	P596 I601 E608 E609 R610 F646	P596-I606 HydrophobicContact CB-CD1 4.12Å; P596-I606 HydrophobicContact CG-CD1 4.23Å; I601-I606 HydrophobicContact CB-CD1 4.23Å; I601-I606 HydrophobicContact CG1-CD1 3.78Å; I606-E608 VanDerWaalsContact C-N 3.29Å; I606-E608 PolarHBondContact O-N 2.92Å; I606-E609 PolarHBondContact O-N 2.92Å; I606-R610 WeakPolarHBondContact O-CB 3.37Å; I606-R610 PolarHBondContact O-N 3.29Å; I606-F646 HydrophobicContact CG2-CE1 3.98Å; I606-F646 HydrophobicContact CG2-CZ 4.21Å
607	D	93.6	Very high	93.3	Very high	49 Å²	49	40.1 Å²	40.1	26%	0.262	20%	0.204	S	C	.	.	H	α-helix	trans	-60.5	-36.8	-178.2	-71.4	-8.9	0	0	0	112.9	N311 P312 N605 R610 R611	N311-D607 PolarHBondContact ND2-O 3.38Å; N311-D607 PolarHBondContact OD1-OD1 3.14Å; P312-D607 WeakPolarHBondContact CD-OD2 3.38Å; P312-D607 WeakPolarHBondContact CG-OD2 3.48Å; N605-D607 PolarHBondContact O-N 2.88Å; D607-R610 PolarHBondContact O-N 3.07Å; D607-R610 IonicContact OD1-NH1 3.25Å; D607-R610 PolarHBondContact OD1-NH1 2.93Å; D607-R610 VanDerWaalsContact OD1-NH1 3.08Å; D607-R611 WeakPolarHBondContact O-CG 3.46Å; D607-R611 PolarHBondContact O-N 3.1Å
608	E	92	Very high	93.5	Very high	11 Å²	11	36.7 Å²	36.7	5%	0.051	19%	0.189	C	C	.	.	H	α-helix	trans	-68.4	-44.5	175.5	-179.7	167.1	-173.8	0	0	111.7	S266 N605 I606 R610 R611 L612	S266-E608 WeakPolarHBondContact CB-OE2 3.41Å; S266-E608 PolarHBondContact N-OE1 3.43Å; S266-E608 PolarHBondContact OG-OE1 3.35Å; S266-E608 PolarHBondContact OG-OE2 2.97Å; N605-E608 PolarHBondContact ND2-OE2 3.3Å; N605-E608 PolarHBondContact O-N 3.3Å; N605-E608 WeakPolarHBondContact OD1-CB 3.27Å; I606-E608 VanDerWaalsContact C-N 3.29Å; I606-E608 PolarHBondContact O-N 2.92Å; E608-R610 PolarHBondContact O-N 2.92Å; E608-R611 WeakPolarHBondContact O-CB 3.49Å; E608-R611 PolarHBondContact O-N 3.14Å; E608-L612 PolarHBondContact O-N 3.5Å
609	E	95.7	Very high	93.7	Very high	3 Å²	3	32.5 Å²	32.5	1%	0.014	17%	0.169	C	C	.	.	H	α-helix	trans	-65.2	-31.5	175.9	-68.5	-70.4	129.7	0	0	111.4	R367 L595 P596 H597 S600 I606 L612 A613 F646	R367-E609 IonicContact CZ-OE1 3.95Å; R367-E609 VanDerWaalsContact CZ-OE1 3.32Å; R367-E609 IonicContact NE-OE1 2.72Å; R367-E609 PolarHBondContact NE-OE1 2.72Å; R367-E609 IonicContact NE-OE2 3.94Å; R367-E609 PolarHBondContact NE-OE2 2.85Å; R367-E609 IonicContact NH2-OE1 3.76Å; R367-E609 PolarHBondContact NH2-OE1 2.87Å; L595-E609 WeakPolarHBondContact CD1-OE2 3.47Å; P596-E609 HydrophobicContact CB-CB 3.77Å; P596-E609 HydrophobicContact CB-CG 4Å; H597-E609 PolarHBondContact N-OE2 3.43Å; H597-E609 VanDerWaalsContact N-OE2 3.13Å; S600-E609 VanDerWaalsContact CB-CG 3.46Å; S600-E609 WeakPolarHBondContact OG-CG 3.41Å; I606-E609 PolarHBondContact O-N 2.92Å; E609-L612 WeakPolarHBondContact O-CB 3.27Å; E609-L612 PolarHBondContact O-N 3.47Å; E609-A613 PolarHBondContact O-N 3.45Å; E609-F646 HydrophobicContact CB-CE2 4.03Å; E609-F646 HydrophobicContact CB-CZ 3.83Å; E609-F646 WeakPolarHBondContact O-CE2 3.42Å
610	R	97	Very high	94.2	Very high	18 Å²	18	30.2 Å²	30.2	7%	0.068	15%	0.153	C	C	.	.	H	α-helix	trans	-68.5	-41.1	173.9	-164.4	173.5	-62.7	101.4	-8.8	112	L307 N311 I606 D607 E608 L612 A613 Y614 F646 E649	L307-R610 HydrophobicContact CD1-CG 4.09Å; L307-R610 HydrophobicContact CD2-CG 4.48Å; L307-R610 HydrophobicContact CG-CG 3.92Å; L307-R610 VanDerWaalsContact O-CD 3.28Å; L307-R610 WeakPolarHBondContact O-CD 3.35Å; N311-R610 WeakPolarHBondContact OD1-CB 3.44Å; N311-R610 WeakPolarHBondContact OD1-CD 3.31Å; N311-R610 PolarHBondContact OD1-NH1 3.17Å; I606-R610 WeakPolarHBondContact O-CB 3.37Å; I606-R610 PolarHBondContact O-N 3.29Å; D607-R610 PolarHBondContact O-N 3.07Å; D607-R610 IonicContact OD1-NH1 3.25Å; D607-R610 PolarHBondContact OD1-NH1 2.93Å; D607-R610 VanDerWaalsContact OD1-NH1 3.08Å; E608-R610 PolarHBondContact O-N 2.92Å; R610-L612 VanDerWaalsContact C-N 3.28Å; R610-L612 PolarHBondContact O-N 3.38Å; R610-A613 PolarHBondContact O-N 2.86Å; R610-Y614 WeakPolarHBondContact O-CB 3.5Å; R610-Y614 PolarHBondContact O-N 2.76Å; R610-F646 HydrophobicContact CB-CD1 4.46Å; R610-F646 HydrophobicContact CB-CE1 3.73Å; R610-F646 HydrophobicContact CB-CZ 3.98Å; R610-F646 HydrophobicContact CG-CD1 4.2Å; R610-F646 HydrophobicContact CG-CE1 3.94Å; R610-E649 IonicContact CZ-OE1 2.81Å; R610-E649 IonicContact CZ-OE2 3.26Å; R610-E649 IonicContact NE-OE1 3.88Å; R610-E649 IonicContact NE-OE2 3.68Å; R610-E649 PolarHBondContact NE-OE2 3.27Å; R610-E649 IonicContact NH2-OE1 3.79Å; R610-E649 PolarHBondContact NH2-OE1 2.81Å; R610-E649 IonicContact NH2-OE2 3.55Å
611	R	95.4	Very high	94.5	Very high	31 Å²	31	32 Å²	32	12%	0.117	16%	0.161	C	C	.	.	H	α-helix	trans	-60.1	-39.6	169.7	-70.8	178.8	-166.4	121.4	9	111.3	D260 D261 S263 I264 I308 D607 E608 Y614 V615	D260-R611 WeakPolarHBondContact O-CD 3.29Å; D260-R611 PolarHBondContact O-NE 2.78Å; D260-R611 VanDerWaalsContact O-NE 3.17Å; D261-R611 WeakPolarHBondContact O-CB 3.31Å; D261-R611 WeakPolarHBondContact O-CG 3.43Å; S263-R611 WeakPolarHBondContact O-CD 3.11Å; I264-R611 HydrophobicContact CG2-CB 3.91Å; I308-R611 HydrophobicContact CD1-CG 4.03Å; D607-R611 WeakPolarHBondContact O-CG 3.46Å; D607-R611 PolarHBondContact O-N 3.1Å; E608-R611 WeakPolarHBondContact O-CB 3.49Å; E608-R611 PolarHBondContact O-N 3.14Å; R611-Y614 WeakPolarHBondContact O-CB 3.29Å; R611-Y614 PolarHBondContact O-N 2.92Å; R611-V615 WeakPolarHBondContact O-CG2 3.17Å; R611-V615 PolarHBondContact O-N 2.89Å
612	L	96.1	Very high	94.7	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-63.7	-44.1	177.3	-170.1	66.7	0	0	0	112	I264 L574 L595 E608 E609 R610 V615 G616	I264-L612 HydrophobicContact CB-CD1 4.18Å; I264-L612 HydrophobicContact CD1-CD1 3.8Å; I264-L612 HydrophobicContact CG2-CB 4.33Å; I264-L612 HydrophobicContact CG2-CD1 4.25Å; L574-L612 HydrophobicContact CB-CD1 3.61Å; L574-L612 HydrophobicContact CB-CD2 4.14Å; L574-L612 HydrophobicContact CB-CG 3.69Å; L574-L612 HydrophobicContact CD1-CD2 4.16Å; L574-L612 HydrophobicContact CD1-CG 4.03Å; L574-L612 HydrophobicContact CG-CG 4.47Å; L595-L612 HydrophobicContact CD1-CD2 4.19Å; E608-L612 PolarHBondContact O-N 3.5Å; E609-L612 WeakPolarHBondContact O-CB 3.27Å; E609-L612 PolarHBondContact O-N 3.47Å; R610-L612 VanDerWaalsContact C-N 3.28Å; R610-L612 PolarHBondContact O-N 3.38Å; L612-V615 PolarHBondContact O-N 3.49Å; L612-G616 PolarHBondContact O-N 2.72Å
613	A	97.9	Very high	95	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.008	15%	0.152	C	C	.	.	H	α-helix	trans	-62.7	-44.7	173	0	0	0	0	0	111.8	L307 L595 E609 R610 V615 G616 I617 F646	L307-A613 HydrophobicContact CD2-CB 3.84Å; L595-A613 HydrophobicContact CD2-CB 4.11Å; E609-A613 PolarHBondContact O-N 3.45Å; R610-A613 PolarHBondContact O-N 2.86Å; A613-V615 VanDerWaalsContact C-N 3.34Å; A613-V615 PolarHBondContact O-N 3.37Å; A613-G616 PolarHBondContact O-N 3.39Å; A613-G616 VanDerWaalsContact O-N 3.15Å; A613-I617 WeakPolarHBondContact O-CG1 3.09Å; A613-I617 PolarHBondContact O-N 2.8Å; A613-F646 HydrophobicContact CB-CD2 3.67Å; A613-F646 HydrophobicContact CB-CE2 4.08Å; A613-F646 HydrophobicContact CB-CG 4.24Å
614	Y	97	Very high	95.5	Very high	1 Å²	1	25 Å²	25	0%	0.004	12%	0.121	C	C	.	.	H	α-helix	trans	-56.9	-43.7	173.7	166.3	-96.1	0	0	0	112.4	D261 Q262 A304 I308 L319 R610 R611 G616 I617 T618	D261-Y614 HydrophobicContact CB-CD1 4.03Å; D261-Y614 HydrophobicContact CB-CE1 3.63Å; D261-Y614 VanDerWaalsContact O-CD1 3.28Å; D261-Y614 WeakPolarHBondContact O-CD1 3.38Å; Q262-Y614 HydrophobicContact CG-CD1 4.39Å; Q262-Y614 HydrophobicContact CG-CE1 3.8Å; A304-Y614 HydrophobicContact CB-CD2 3.82Å; A304-Y614 HydrophobicContact CB-CE2 3.85Å; A304-Y614 WeakPolarHBondContact O-CD2 3.22Å; I308-Y614 HydrophobicContact CB-CD2 3.79Å; I308-Y614 HydrophobicContact CB-CE2 4.27Å; I308-Y614 HydrophobicContact CB-CG 4.23Å; I308-Y614 HydrophobicContact CD1-CG 4.2Å; I308-Y614 HydrophobicContact CG1-CD2 4.23Å; I308-Y614 HydrophobicContact CG1-CG 4.26Å; I308-Y614 HydrophobicContact CG2-CD2 4.1Å; I308-Y614 HydrophobicContact CG2-CE2 4.1Å; L319-Y614 VanDerWaalsContact CD1-OH 3.25Å; L319-Y614 WeakPolarHBondContact CD1-OH 3.41Å; R610-Y614 WeakPolarHBondContact O-CB 3.5Å; R610-Y614 PolarHBondContact O-N 2.76Å; R611-Y614 WeakPolarHBondContact O-CB 3.29Å; R611-Y614 PolarHBondContact O-N 2.92Å; Y614-G616 PolarHBondContact O-N 2.86Å; Y614-I617 PolarHBondContact O-N 2.62Å; Y614-T618 HydrophobicContact CD2-CG2 4.1Å; Y614-T618 HydrophobicContact CE1-CG2 4.37Å; Y614-T618 HydrophobicContact CE2-CG2 3.75Å; Y614-T618 WeakPolarHBondContact O-CB 3.42Å; Y614-T618 VanDerWaalsContact O-CG2 3.31Å; Y614-T618 WeakPolarHBondContact O-CG2 3.47Å; Y614-T618 PolarHBondContact O-N 3.42Å; Y614-T618 PolarHBondContact O-OG1 3.38Å
615	V	95.4	Very high	95.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-59	-48.4	174.7	167.9	0	0	0	0	110.2	Q262 I264 K578 R611 L612 A613 I617 T618 R619	Q262-V615 HydrophobicContact CB-CG2 4.22Å; Q262-V615 HydrophobicContact CG-CG2 4.04Å; I264-V615 HydrophobicContact CD1-CG1 4.46Å; I264-V615 HydrophobicContact CD1-CG2 4.48Å; I264-V615 HydrophobicContact CG2-CG2 4.03Å; K578-V615 HydrophobicContact CB-CG1 4.38Å; R611-V615 WeakPolarHBondContact O-CG2 3.17Å; R611-V615 PolarHBondContact O-N 2.89Å; L612-V615 PolarHBondContact O-N 3.49Å; A613-V615 VanDerWaalsContact C-N 3.34Å; A613-V615 PolarHBondContact O-N 3.37Å; V615-I617 PolarHBondContact O-N 2.99Å; V615-T618 PolarHBondContact O-N 3.42Å; V615-T618 PolarHBondContact O-OG1 3.35Å; V615-R619 WeakPolarHBondContact O-CD 3.47Å; V615-R619 WeakPolarHBondContact O-CG 3.37Å; V615-R619 PolarHBondContact O-N 2.91Å; V615-R619 PolarHBondContact O-NE 2.89Å
616	G	96.9	Very high	96.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-55.6	-49.6	177.1	0	0	0	0	0	113.2	M587 L612 A613 Y614 T618 R619	M587-G616 VanDerWaalsContact SD-C 3.54Å; L612-G616 PolarHBondContact O-N 2.72Å; A613-G616 PolarHBondContact O-N 3.39Å; A613-G616 VanDerWaalsContact O-N 3.15Å; Y614-G616 PolarHBondContact O-N 2.86Å; G616-T618 VanDerWaalsContact C-N 3.34Å; G616-T618 PolarHBondContact O-N 2.75Å; G616-R619 WeakPolarHBondContact O-CB 3.15Å; G616-R619 PolarHBondContact O-N 3.26Å; G616-R619 VanDerWaalsContact O-N 3.16Å
617	I	98	Very high	96.5	Very high	3 Å²	3	15.9 Å²	15.9	2%	0.015	7%	0.073	C	C	.	.	H	α-helix	trans	-59.4	-45.9	178.6	-65.5	167.3	0	0	0	110.5	I300 A304 L307 M587 A613 Y614 V615 R619 A620 L624 F626 L650	I300-I617 HydrophobicContact CG2-CG2 3.92Å; I300-I617 WeakPolarHBondContact CG2-O 3.41Å; A304-I617 HydrophobicContact CB-CG2 3.85Å; L307-I617 HydrophobicContact CD2-CD1 3.5Å; L307-I617 VanDerWaalsContact CD2-CD1 3.5Å; M587-I617 HydrophobicContact CE-CG1 4.47Å; M587-I617 HydrophobicContact SD-CG1 3.92Å; A613-I617 WeakPolarHBondContact O-CG1 3.09Å; A613-I617 PolarHBondContact O-N 2.8Å; Y614-I617 PolarHBondContact O-N 2.62Å; V615-I617 PolarHBondContact O-N 2.99Å; I617-R619 PolarHBondContact O-N 3.34Å; I617-R619 VanDerWaalsContact O-N 3.16Å; I617-A620 PolarHBondContact O-N 3.46Å; I617-L624 HydrophobicContact CB-CD2 4.04Å; I617-L624 HydrophobicContact CG1-CD2 3.9Å; I617-L624 HydrophobicContact CG2-CD2 3.77Å; I617-F626 HydrophobicContact CD1-CZ 4.3Å; I617-F626 HydrophobicContact CG1-CE1 4.21Å; I617-F626 HydrophobicContact CG1-CZ 4Å; I617-L650 HydrophobicContact CD1-CD2 4.03Å
618	T	96	Very high	96.7	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	2.7	-178.1	61.5	0	0	0	0	114.6	A41 R295 A304 Y614 V615 G616	A41-T618 HydrophobicContact CB-CG2 3.85Å; R295-T618 WeakPolarHBondContact CD-O 2.92Å; R295-T618 PolarHBondContact NH1-O 3.22Å; A304-T618 HydrophobicContact CB-CG2 3.68Å; Y614-T618 HydrophobicContact CD2-CG2 4.1Å; Y614-T618 HydrophobicContact CE1-CG2 4.37Å; Y614-T618 HydrophobicContact CE2-CG2 3.75Å; Y614-T618 WeakPolarHBondContact O-CB 3.42Å; Y614-T618 VanDerWaalsContact O-CG2 3.31Å; Y614-T618 WeakPolarHBondContact O-CG2 3.47Å; Y614-T618 PolarHBondContact O-N 3.42Å; Y614-T618 PolarHBondContact O-OG1 3.38Å; V615-T618 PolarHBondContact O-N 3.42Å; V615-T618 PolarHBondContact O-OG1 3.35Å; G616-T618 VanDerWaalsContact C-N 3.34Å; G616-T618 PolarHBondContact O-N 2.75Å
619	R	95.1	Very high	96.8	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.008	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-25.3	168.8	-56.3	-49	77.3	-177.3	18.3	112.1	L365 S577 L580 E581 F582 V585 V615 G616 I617	L365-R619 HydrophobicContact CD1-CB 4.32Å; L365-R619 HydrophobicContact CD1-CG 4.23Å; S577-R619 WeakPolarHBondContact O-CD 3.3Å; S577-R619 WeakPolarHBondContact OG-CG 3.45Å; L580-R619 VanDerWaalsContact O-CD 3.3Å; L580-R619 WeakPolarHBondContact O-CD 3.4Å; L580-R619 PolarHBondContact O-NH1 3.42Å; E581-R619 WeakPolarHBondContact CA-O 3.46Å; F582-R619 PolarHBondContact N-O 3.2Å; V585-R619 HydrophobicContact CG2-CB 4.45Å; V615-R619 WeakPolarHBondContact O-CD 3.47Å; V615-R619 WeakPolarHBondContact O-CG 3.37Å; V615-R619 PolarHBondContact O-N 2.91Å; V615-R619 PolarHBondContact O-NE 2.89Å; G616-R619 WeakPolarHBondContact O-CB 3.15Å; G616-R619 PolarHBondContact O-N 3.26Å; G616-R619 VanDerWaalsContact O-N 3.16Å; I617-R619 PolarHBondContact O-N 3.34Å; I617-R619 VanDerWaalsContact O-N 3.16Å
620	A	97.4	Very high	96.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	130.5	179.8	0	0	0	0	0	111.1	S296 I300 F582 V585 I617 L624	S296-A620 WeakPolarHBondContact CB-O 3.4Å; S296-A620 PolarHBondContact OG-O 3.07Å; I300-A620 HydrophobicContact CD1-CB 3.81Å; F582-A620 CarbonylContact O-C 3.25Å; F582-A620 WeakPolarHBondContact O-CA 3.48Å; V585-A620 HydrophobicContact CB-CB 3.88Å; V585-A620 HydrophobicContact CG2-CB 3.75Å; I617-A620 PolarHBondContact O-N 3.46Å; A620-L624 HydrophobicContact CB-CB 3.92Å; A620-L624 HydrophobicContact CB-CD1 4.34Å
621	Q	96.3	Very high	96.4	Very high	46 Å²	46	19.7 Å²	19.7	22%	0.215	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-49.2	175.2	-64.5	176.2	-17.8	0	0	111.6	R295 S296 S297 E581 F582	R295-Q621 HydrophobicContact CG-CG 3.66Å; R295-Q621 WeakPolarHBondContact O-CA 3.39Å; R295-Q621 WeakPolarHBondContact O-CB 3.46Å; R295-Q621 WeakPolarHBondContact O-CG 3.27Å; S296-Q621 WeakPolarHBondContact CA-O 3.11Å; S297-Q621 PolarHBondContact N-O 3.28Å; E581-Q621 HydrophobicContact CB-CG 4.32Å; E581-Q621 PolarHBondContact OE1-NE2 3.05Å; F582-Q621 PolarHBondContact O-N 3.44Å
622	K	96.5	Very high	95.8	Very high	112 Å²	112	18.9 Å²	18.9	49%	0.487	9%	0.086	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-58	-171.3	-59.8	-177.6	-178.5	174.5	0	112.5	P583 Y584	P583-K622 HydrophobicContact CB-CD 4.39Å; P583-K622 WeakPolarHBondContact O-CB 3.26Å; P583-K622 PolarHBondContact O-N 2.98Å; Y584-K622 HydrophobicContact CD1-CB 4.5Å; Y584-K622 HydrophobicContact CE1-CB 4.1Å; Y584-K622 HydrophobicContact CE1-CD 4.17Å
623	E	97.4	Very high	94.8	Very high	41 Å²	41	27.1 Å²	27.1	19%	0.192	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	142.5	-175.6	-44	-170.3	-168.5	0	0	111.2	T327 H351 P583 Y584 V585	T327-E623 WeakPolarHBondContact OG1-CG 3.4Å; H351-E623 IonicContact CD2-OE2 3.7Å; H351-E623 IonicContact NE2-OE1 3.56Å; H351-E623 IonicContact NE2-OE2 3.63Å; P583-E623 PolarHBondContact O-N 3.43Å; Y584-E623 HydrophobicContact CD1-CB 3.97Å; Y584-E623 HydrophobicContact CD1-CG 3.85Å; Y584-E623 HydrophobicContact CE1-CG 3.94Å; V585-E623 PolarHBondContact N-O 2.82Å; V585-E623 VanDerWaalsContact N-O 3.1Å
624	L	98.3	Very high	93.3	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	128.6	176.8	174.2	64.5	0	0	0	109	L329 K330 V585 M587 I617 A620 F626	L329-L624 HydrophobicContact CD2-CB 3.82Å; L329-L624 HydrophobicContact CD2-CD2 4.23Å; L329-L624 HydrophobicContact CD2-CG 4.38Å; K330-L624 PolarHBondContact N-O 3.36Å; V585-L624 HydrophobicContact CB-CD1 3.87Å; V585-L624 HydrophobicContact CG1-CD1 3.71Å; V585-L624 WeakPolarHBondContact O-CA 3.24Å; M587-L624 HydrophobicContact CB-CD1 4.46Å; M587-L624 HydrophobicContact CG-CD1 3.98Å; M587-L624 HydrophobicContact SD-CD1 4.03Å; I617-L624 HydrophobicContact CB-CD2 4.04Å; I617-L624 HydrophobicContact CG1-CD2 3.9Å; I617-L624 HydrophobicContact CG2-CD2 3.77Å; A620-L624 HydrophobicContact CB-CB 3.92Å; A620-L624 HydrophobicContact CB-CD1 4.34Å; L624-F626 HydrophobicContact CD2-CE1 4.09Å; L624-F626 HydrophobicContact CD2-CE2 3.84Å; L624-F626 HydrophobicContact CD2-CZ 3.43Å; L624-F626 VanDerWaalsContact CD2-CZ 3.43Å; L624-F626 HydrophobicContact CG-CE1 4.4Å; L624-F626 HydrophobicContact CG-CE2 4.03Å; L624-F626 HydrophobicContact CG-CZ 3.95Å
625	T	98.5	Very high	91.7	Very high	10 Å²	10	40.9 Å²	40.9	6%	0.061	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.3	176.5	-60.2	0	0	0	0	109.1	K330 L332 V585 Y586 M587 T627	K330-T625 HydrophobicContact CB-CG2 4Å; K330-T625 CarbonylContact O-C 3.53Å; K330-T625 WeakPolarHBondContact O-CA 3.39Å; L332-T625 HydrophobicContact CD1-CG2 3.72Å; L332-T625 HydrophobicContact CG-CG2 3.83Å; V585-T625 PolarHBondContact O-N 3.38Å; Y586-T625 CarbonylContact C-O 3.49Å; Y586-T625 VanDerWaalsContact CA-O 3.27Å; Y586-T625 WeakPolarHBondContact CA-O 3.43Å; Y586-T625 HydrophobicContact CD1-CG2 3.82Å; Y586-T625 HydrophobicContact CE1-CG2 3.93Å; M587-T625 PolarHBondContact N-O 3.42Å; T625-T627 HydrophobicContact CG2-CG2 4.48Å
626	F	98.4	Very high	90.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	145.6	172.2	-60.1	-79.2	0	0	0	109.9	L329 K330 V331 L332 M587 M590 I617 L624 L647 L650	L329-F626 HydrophobicContact CB-CE2 4.26Å; L329-F626 HydrophobicContact CD1-CE2 4.5Å; K330-F626 PolarHBondContact O-N 2.83Å; V331-F626 WeakPolarHBondContact CA-O 3.34Å; V331-F626 HydrophobicContact CG1-CB 4.45Å; V331-F626 HydrophobicContact CG2-CB 4.29Å; V331-F626 HydrophobicContact CG2-CD2 4.2Å; L332-F626 PolarHBondContact N-O 3.47Å; M587-F626 HydrophobicContact CB-CD1 3.73Å; M587-F626 HydrophobicContact CB-CE1 4.11Å; M587-F626 HydrophobicContact CE-CE1 4.11Å; M587-F626 HydrophobicContact CG-CE1 4.47Å; M587-F626 CarbonylContact O-C 3.49Å; M587-F626 VanDerWaalsContact O-CA 3.31Å; M587-F626 WeakPolarHBondContact O-CA 3.32Å; M587-F626 HydrophobicContact SD-CD1 4.31Å; M587-F626 HydrophobicContact SD-CE1 3.69Å; M590-F626 HydrophobicContact CE-CD1 3.94Å; M590-F626 HydrophobicContact CE-CE1 4.11Å; M590-F626 HydrophobicContact CG-CB 4.04Å; M590-F626 HydrophobicContact CG-CD1 3.75Å; M590-F626 HydrophobicContact CG-CG 4.35Å; M590-F626 HydrophobicContact SD-CD1 3.9Å; M590-F626 HydrophobicContact SD-CE1 4.38Å; I617-F626 HydrophobicContact CD1-CZ 4.3Å; I617-F626 HydrophobicContact CG1-CE1 4.21Å; I617-F626 HydrophobicContact CG1-CZ 4Å; L624-F626 HydrophobicContact CD2-CE1 4.09Å; L624-F626 HydrophobicContact CD2-CE2 3.84Å; L624-F626 HydrophobicContact CD2-CZ 3.43Å; L624-F626 VanDerWaalsContact CD2-CZ 3.43Å; L624-F626 HydrophobicContact CG-CE1 4.4Å; L624-F626 HydrophobicContact CG-CE2 4.03Å; L624-F626 HydrophobicContact CG-CZ 3.95Å; F626-L647 HydrophobicContact CB-CD2 3.82Å; F626-L647 HydrophobicContact CD1-CD2 3.88Å; F626-L647 HydrophobicContact CD2-CD2 3.93Å; F626-L647 HydrophobicContact CE1-CD2 4.38Å; F626-L647 HydrophobicContact CE2-CD2 4.43Å; F626-L647 HydrophobicContact CG-CD2 3.6Å; F626-L650 HydrophobicContact CE2-CD1 3.76Å; F626-L650 HydrophobicContact CZ-CD1 3.69Å
627	T	98	Very high	89.2	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.012	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	146.9	170.8	66.2	0	0	0	0	112.1	L332 E340 V344 M587 V588 G589 M590 T625	L332-T627 HydrophobicContact CB-CG2 4.11Å; L332-T627 HydrophobicContact CD1-CG2 4.38Å; L332-T627 VanDerWaalsContact O-CA 3.3Å; L332-T627 WeakPolarHBondContact O-CA 3.43Å; E340-T627 WeakPolarHBondContact CG-OG1 3.45Å; E340-T627 WeakPolarHBondContact OE1-CB 3.28Å; E340-T627 PolarHBondContact OE1-OG1 3.28Å; V344-T627 HydrophobicContact CG2-CG2 3.59Å; M587-T627 PolarHBondContact O-N 2.71Å; V588-T627 VanDerWaalsContact CA-OG1 3.29Å; V588-T627 WeakPolarHBondContact CA-OG1 3.44Å; V588-T627 WeakPolarHBondContact CB-OG1 3.49Å; V588-T627 WeakPolarHBondContact CG1-OG1 3.39Å; G589-T627 PolarHBondContact N-O 3.38Å; G589-T627 VanDerWaalsContact N-O 3.14Å; M590-T627 WeakPolarHBondContact CB-O 3.04Å; M590-T627 PolarHBondContact N-O 2.87Å; T625-T627 HydrophobicContact CG2-CG2 4.48Å
628	L	96.6	Very high	88.5	Confident	10 Å²	10	55.5 Å²	55.5	5%	0.052	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	155.6	172.8	64.1	138.6	0	0	0	111	V331 L332 A334 E591 P643 L647 W657	V331-L628 HydrophobicContact CG1-CD2 3.45Å; V331-L628 VanDerWaalsContact CG1-CD2 3.45Å; L332-L628 PolarHBondContact O-N 2.95Å; L332-L628 VanDerWaalsContact O-N 3.1Å; A334-L628 PolarHBondContact N-O 3.43Å; E591-L628 HydrophobicContact CG-CB 3.85Å; L628-P643 HydrophobicContact CD1-CB 4.16Å; L628-P643 HydrophobicContact CD1-CG 4.02Å; L628-L647 HydrophobicContact CD2-CD1 3.97Å; L628-W657 HydrophobicContact CD2-CZ3 4.26Å
629	C	94.7	Very high	88.1	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.007	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	142.9	174.6	-68.5	0	0	0	0	111.8	A334 N336 E591 R632 P641	A334-C629 CarbonylContact O-C 3.52Å; A334-C629 WeakPolarHBondContact O-CA 3.24Å; N336-C629 PolarHBondContact O-SG 2.95Å; E591-C629 WeakPolarHBondContact OE1-CB 3.46Å; E591-C629 PolarHBondContact OE1-N 2.93Å; C629-R632 HydrophobicContact CB-CG 3.63Å; C629-R632 VanDerWaalsContact SG-CZ 3.55Å; C629-R632 PolarHBondContact SG-NH2 2.98Å; C629-R632 VanDerWaalsContact SG-NH2 3.39Å; C629-P641 WeakPolarHBondContact O-CG 3.21Å
630	K	93.2	Very high	88	Confident	90 Å²	90	67 Å²	67	39%	0.391	31%	0.307	S	S	.	.	S	Bend	trans	-75.6	-35	170	-67.8	-176.6	177.4	-175.8	0	111.8	A334 E660	A334-K630 PolarHBondContact O-N 3.44Å; K630-E660 IonicContact NZ-OE1 3.12Å; K630-E660 PolarHBondContact NZ-OE1 3.28Å; K630-E660 VanDerWaalsContact NZ-OE1 3.12Å
631	E	91.9	Very high	87.8	Confident	61 Å²	61	67.8 Å²	67.8	29%	0.285	31%	0.313	S	S	.	.	S	Bend	trans	-136.4	139.4	177.1	-65.6	-176.9	159	0	0	108.9	N335 N336 L638 V639 R640	N335-E631 PolarHBondContact O-N 2.87Å; N336-E631 VanDerWaalsContact CA-O 3.24Å; N336-E631 WeakPolarHBondContact CA-O 3.15Å; E631-L638 HydrophobicContact CB-CD1 4.32Å; E631-L638 HydrophobicContact CB-CD2 4.3Å; E631-L638 HydrophobicContact CB-CG 4.31Å; E631-L638 HydrophobicContact CG-CD2 4.22Å; E631-V639 CarbonylContact C-O 3.55Å; E631-V639 WeakPolarHBondContact CA-O 3.32Å; E631-R640 HydrophobicContact CG-CG 3.87Å; E631-R640 IonicContact OE1-CZ 2.69Å; E631-R640 IonicContact OE1-NE 3.77Å; E631-R640 PolarHBondContact OE1-NE 3.28Å; E631-R640 IonicContact OE1-NH2 2.82Å; E631-R640 PolarHBondContact OE1-NH2 2.83Å
632	R	82.2	Confident	87.7	Confident	13 Å²	13	72.2 Å²	72.2	5%	0.049	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146.8	173.6	-80.7	-159.3	-174.3	-99.6	-4	111.5	E337 E340 E591 C629 L638 V639 P641	E337-R632 WeakPolarHBondContact OE2-CA 3.24Å; E340-R632 IonicContact OE1-NH2 3.26Å; E340-R632 IonicContact OE2-CZ 2.67Å; E340-R632 IonicContact OE2-NH1 3.85Å; E340-R632 IonicContact OE2-NH2 2.74Å; E340-R632 PolarHBondContact OE2-NH2 2.91Å; E591-R632 IonicContact OE1-CZ 3.19Å; E591-R632 VanDerWaalsContact OE1-CZ 3.28Å; E591-R632 IonicContact OE1-NE 3.35Å; E591-R632 PolarHBondContact OE1-NE 3.11Å; E591-R632 IonicContact OE1-NH2 3.43Å; E591-R632 PolarHBondContact OE1-NH2 3.44Å; E591-R632 WeakPolarHBondContact OE2-CD 3.36Å; E591-R632 IonicContact OE2-CZ 2.86Å; E591-R632 IonicContact OE2-NE 3.97Å; E591-R632 PolarHBondContact OE2-NE 3.26Å; E591-R632 IonicContact OE2-NH2 2.88Å; C629-R632 HydrophobicContact CB-CG 3.63Å; C629-R632 VanDerWaalsContact SG-CZ 3.55Å; C629-R632 PolarHBondContact SG-NH2 2.98Å; C629-R632 VanDerWaalsContact SG-NH2 3.39Å; R632-L638 WeakPolarHBondContact O-CA 3.23Å; R632-V639 PolarHBondContact N-O 3.11Å; R632-V639 PolarHBondContact O-N 3.45Å; R632-P641 HydrophobicContact CG-CG 4.46Å
633	R	75.4	Confident	87.7	Confident	176 Å²	176	68.6 Å²	68.6	66%	0.664	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	110.6	169	-148.4	171.5	-174.5	172.7	0.2	110.9	E337 G636 E637	E337-R633 PolarHBondContact OE2-N 3.1Å; R633-G636 PolarHBondContact NE-O 3.12Å; R633-E637 CarbonylContact C-O 3.37Å; R633-E637 VanDerWaalsContact CA-O 3.28Å; R633-E637 WeakPolarHBondContact CA-O 3.44Å
634	Q	65.8	Low	87.8	Confident	54 Å²	54	66.7 Å²	66.7	25%	0.252	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128.4	175	-66.1	-174.3	15.1	0	0	109.4	G636 E637 V639	Q634-G636 PolarHBondContact O-N 2.91Å; Q634-E637 PolarHBondContact N-O 3.31Å; Q634-E637 PolarHBondContact O-N 2.96Å; Q634-V639 HydrophobicContact CB-CG2 4.42Å
635	Y	64.3	Low	87.7	Confident	237 Å²	237	70.4 Å²	70.4	93%	0.929	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	27.8	179.9	-53.2	-74.5	0	0	0	115	E637	Y635-E637 VanDerWaalsContact C-N 3.35Å
636	G	64.5	Low	87.7	Confident	52 Å²	52	70 Å²	70	54%	0.536	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.6	-17.2	-179	0	0	0	0	0	114.7	R633 Q634	R633-G636 PolarHBondContact NE-O 3.12Å; Q634-G636 PolarHBondContact O-N 2.91Å
637	E	73.8	Confident	87.7	Confident	147 Å²	147	70 Å²	70	69%	0.687	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	152.1	177.7	-64.9	-168.6	165.1	0	0	112.2	R633 Q634 Y635	R633-E637 CarbonylContact C-O 3.37Å; R633-E637 VanDerWaalsContact CA-O 3.28Å; R633-E637 WeakPolarHBondContact CA-O 3.44Å; Q634-E637 PolarHBondContact N-O 3.31Å; Q634-E637 PolarHBondContact O-N 2.96Å; Y635-E637 VanDerWaalsContact C-N 3.35Å
638	L	84.4	Confident	87.6	Confident	110 Å²	110	75 Å²	75	58%	0.576	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	117.3	176.3	-167.6	106.5	0	0	0	108.9	E631 R632	E631-L638 HydrophobicContact CB-CD1 4.32Å; E631-L638 HydrophobicContact CB-CD2 4.3Å; E631-L638 HydrophobicContact CB-CG 4.31Å; E631-L638 HydrophobicContact CG-CD2 4.22Å; R632-L638 WeakPolarHBondContact O-CA 3.23Å
639	V	88.3	Confident	87.7	Confident	57 Å²	57	76.6 Å²	76.6	35%	0.345	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	144.3	179.4	-173.6	0	0	0	0	108.8	E631 R632 Q634 P641	E631-V639 CarbonylContact C-O 3.55Å; E631-V639 WeakPolarHBondContact CA-O 3.32Å; R632-V639 PolarHBondContact N-O 3.11Å; R632-V639 PolarHBondContact O-N 3.45Å; Q634-V639 HydrophobicContact CB-CG2 4.42Å; V639-P641 VanDerWaalsContact O-CD 3.22Å; V639-P641 WeakPolarHBondContact O-CD 3.27Å
640	R	93.2	Very high	87.8	Confident	186 Å²	186	76.9 Å²	76.9	70%	0.702	36%	0.358	S	S	*	.			trans	-101.3	92.6	168.8	-77.5	177.2	179.4	174.9	2.4	108.6	E631	E631-R640 HydrophobicContact CG-CG 3.87Å; E631-R640 IonicContact OE1-CZ 2.69Å; E631-R640 IonicContact OE1-NE 3.77Å; E631-R640 PolarHBondContact OE1-NE 3.28Å; E631-R640 IonicContact OE1-NH2 2.82Å; E631-R640 PolarHBondContact OE1-NH2 2.83Å
641	P	92.2	Very high	88	Confident	18 Å²	18	73 Å²	73	12%	0.117	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-72.1	143.2	-177.1	29.4	-33.8	0	0	0	110.8	E591 C629 R632 V639	E591-P641 HydrophobicContact CB-CB 3.98Å; E591-P641 HydrophobicContact CB-CG 4.47Å; E591-P641 HydrophobicContact CG-CB 4.06Å; E591-P641 HydrophobicContact CG-CG 4.03Å; E591-P641 WeakPolarHBondContact OE2-CG 3.48Å; C629-P641 WeakPolarHBondContact O-CG 3.21Å; R632-P641 HydrophobicContact CG-CG 4.46Å; V639-P641 VanDerWaalsContact O-CD 3.22Å; V639-P641 WeakPolarHBondContact O-CD 3.27Å
642	E	95.1	Very high	88.2	Confident	139 Å²	139	74 Å²	74	65%	0.65	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-75.6	149	168.1	-70.5	-64.7	135.6	0	0	109.9	E591 E592	E591-E642 WeakPolarHBondContact CA-O 3.41Å; E592-E642 HydrophobicContact CB-CB 4.46Å; E592-E642 HydrophobicContact CG-CB 4.34Å; E592-E642 PolarHBondContact N-O 2.89Å
643	P	96.6	Very high	88.8	Confident	36 Å²	36	78.8 Å²	78.8	23%	0.234	37%	0.373	C	S	.	.	B	Isolated β-bridge	trans	-55.6	142.5	171.3	-20.9	31.7	0	0	0	110.8	L628 R645 W657	L628-P643 HydrophobicContact CD1-CB 4.16Å; L628-P643 HydrophobicContact CD1-CG 4.02Å; P643-R645 PolarHBondContact O-N 2.98Å; P643-W657 HydrophobicContact CB-CH2 4.29Å
644	S	98	Very high	89.7	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-50.1	131.1	173.8	174.2	0	0	0	0	110.9	M590 L595 F646 L647	M590-S644 VanDerWaalsContact C-CB 3.44Å; M590-S644 WeakPolarHBondContact O-CB 3.22Å; M590-S644 PolarHBondContact O-N 2.83Å; L595-S644 WeakPolarHBondContact O-CB 3.28Å; L595-S644 PolarHBondContact O-OG 2.93Å; S644-F646 PolarHBondContact O-N 3.45Å; S644-F646 WeakPolarHBondContact OG-CB 3.46Å; S644-F646 PolarHBondContact OG-N 3.34Å; S644-F646 VanDerWaalsContact OG-N 3.16Å; S644-L647 WeakPolarHBondContact O-CB 3.48Å; S644-L647 PolarHBondContact O-N 2.86Å
645	R	97.6	Very high	91.1	Very high	80 Å²	80	68.8 Å²	68.8	30%	0.302	34%	0.335	S	S	.	.	H	α-helix	trans	-52.6	-30.5	171.6	70.1	-172.1	68.6	-173.8	3	112.2	E592 P596 P643 L647 L648 E649	E592-R645 VanDerWaalsContact OE1-CB 3.24Å; E592-R645 WeakPolarHBondContact OE1-CB 3.43Å; E592-R645 VanDerWaalsContact OE1-CG 3.29Å; E592-R645 WeakPolarHBondContact OE1-CG 3.24Å; E592-R645 IonicContact OE1-CZ 2.57Å; E592-R645 PolarHBondContact OE1-N 2.93Å; E592-R645 IonicContact OE1-NE 2.69Å; E592-R645 PolarHBondContact OE1-NE 2.79Å; E592-R645 IonicContact OE1-NH2 3.1Å; E592-R645 IonicContact OE2-CZ 3.8Å; E592-R645 IonicContact OE2-NE 2.96Å; E592-R645 PolarHBondContact OE2-NE 2.81Å; E592-R645 IonicContact OE2-NH2 2.81Å; E592-R645 PolarHBondContact OE2-NH2 2.76Å; P596-R645 HydrophobicContact CG-CG 4.41Å; P643-R645 PolarHBondContact O-N 2.98Å; R645-L647 VanDerWaalsContact C-N 3.26Å; R645-L647 PolarHBondContact O-N 3.28Å; R645-L648 WeakPolarHBondContact O-CA 3.34Å; R645-L648 WeakPolarHBondContact O-CB 3.5Å; R645-L648 PolarHBondContact O-N 2.94Å; R645-E649 WeakPolarHBondContact O-CG 3.44Å; R645-E649 PolarHBondContact O-N 3.33Å
646	F	98.2	Very high	92.6	Very high	1 Å²	1	61.2 Å²	61.2	0%	0.004	31%	0.31	C	S	.	.	H	α-helix	trans	-62	-33.9	178.5	-56.4	-33.6	0	0	0	111.9	L307 M590 L595 P596 I606 E609 R610 A613 S644 L648 E649 L650	L307-F646 HydrophobicContact CD1-CB 3.86Å; L307-F646 HydrophobicContact CD1-CD1 4.07Å; L307-F646 HydrophobicContact CD1-CG 4.25Å; M590-F646 HydrophobicContact CE-CB 4.38Å; L595-F646 HydrophobicContact CD1-CE2 4.23Å; L595-F646 HydrophobicContact CD2-CD2 4.46Å; L595-F646 HydrophobicContact CG-CD2 3.98Å; L595-F646 HydrophobicContact CG-CE2 3.98Å; P596-F646 HydrophobicContact CB-CE2 4Å; P596-F646 HydrophobicContact CB-CZ 3.87Å; P596-F646 HydrophobicContact CG-CE2 4.3Å; P596-F646 HydrophobicContact CG-CZ 4.15Å; I606-F646 HydrophobicContact CG2-CE1 3.98Å; I606-F646 HydrophobicContact CG2-CZ 4.21Å; E609-F646 HydrophobicContact CB-CE2 4.03Å; E609-F646 HydrophobicContact CB-CZ 3.83Å; E609-F646 WeakPolarHBondContact O-CE2 3.42Å; R610-F646 HydrophobicContact CB-CD1 4.46Å; R610-F646 HydrophobicContact CB-CE1 3.73Å; R610-F646 HydrophobicContact CB-CZ 3.98Å; R610-F646 HydrophobicContact CG-CD1 4.2Å; R610-F646 HydrophobicContact CG-CE1 3.94Å; A613-F646 HydrophobicContact CB-CD2 3.67Å; A613-F646 HydrophobicContact CB-CE2 4.08Å; A613-F646 HydrophobicContact CB-CG 4.24Å; S644-F646 PolarHBondContact O-N 3.45Å; S644-F646 WeakPolarHBondContact OG-CB 3.46Å; S644-F646 PolarHBondContact OG-N 3.34Å; S644-F646 VanDerWaalsContact OG-N 3.16Å; F646-L648 VanDerWaalsContact C-N 3.27Å; F646-L648 PolarHBondContact O-N 2.88Å; F646-E649 PolarHBondContact O-N 3.49Å; F646-L650 WeakPolarHBondContact O-CG 3.16Å; F646-L650 PolarHBondContact O-N 2.93Å
647	L	97.6	Very high	94	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.5	-32.2	174.1	-69.8	176.3	0	0	0	112.5	V331 M590 F626 L628 S644 R645 L650 Q652 W657	V331-L647 HydrophobicContact CG1-CD1 3.99Å; V331-L647 HydrophobicContact CG2-CD2 4.21Å; M590-L647 HydrophobicContact CB-CD1 3.69Å; M590-L647 HydrophobicContact CB-CD2 4.37Å; M590-L647 HydrophobicContact CB-CG 4.07Å; M590-L647 HydrophobicContact CE-CD2 3.94Å; M590-L647 HydrophobicContact CE-CG 3.99Å; M590-L647 HydrophobicContact CG-CD2 4.46Å; F626-L647 HydrophobicContact CB-CD2 3.82Å; F626-L647 HydrophobicContact CD1-CD2 3.88Å; F626-L647 HydrophobicContact CD2-CD2 3.93Å; F626-L647 HydrophobicContact CE1-CD2 4.38Å; F626-L647 HydrophobicContact CE2-CD2 4.43Å; F626-L647 HydrophobicContact CG-CD2 3.6Å; L628-L647 HydrophobicContact CD2-CD1 3.97Å; S644-L647 WeakPolarHBondContact O-CB 3.48Å; S644-L647 PolarHBondContact O-N 2.86Å; R645-L647 VanDerWaalsContact C-N 3.26Å; R645-L647 PolarHBondContact O-N 3.28Å; L647-L650 HydrophobicContact CD2-CD1 4.33Å; L647-Q652 PolarHBondContact O-NE2 3.3Å; L647-W657 HydrophobicContact CB-CH2 3.86Å; L647-W657 HydrophobicContact CB-CZ2 4.01Å; L647-W657 HydrophobicContact CD1-CH2 3.92Å; L647-W657 HydrophobicContact CD1-CZ3 4.39Å
648	L	96.7	Very high	94.4	Very high	108 Å²	108	58.7 Å²	58.7	57%	0.565	28%	0.281	S	S	*	.	H	α-helix	trans	-79.8	-29.1	179.3	-54.3	179.1	0	0	0	111.8	R645 F646 L650 Q652 W657	R645-L648 WeakPolarHBondContact O-CA 3.34Å; R645-L648 WeakPolarHBondContact O-CB 3.5Å; R645-L648 PolarHBondContact O-N 2.94Å; F646-L648 VanDerWaalsContact C-N 3.27Å; F646-L648 PolarHBondContact O-N 2.88Å; L648-L650 VanDerWaalsContact C-N 3.27Å; L648-L650 PolarHBondContact O-N 2.86Å; L648-Q652 PolarHBondContact O-NE2 3.22Å; L648-Q652 VanDerWaalsContact O-NE2 3.14Å; L648-W657 HydrophobicContact CD2-CH2 4.25Å; L648-W657 HydrophobicContact CD2-CZ2 4.11Å
649	E	97.8	Very high	93.3	Very high	42 Å²	42	61.1 Å²	61.1	20%	0.196	29%	0.289	C	S	.	.	H	α-helix	trans	-72.6	-15.7	174	-70.2	174.3	-176.3	0	0	113	I306 L307 R610 R645 F646	I306-E649 WeakPolarHBondContact CG2-O 3.02Å; L307-E649 HydrophobicContact CD1-CB 3.85Å; L307-E649 VanDerWaalsContact CD1-OE2 3.27Å; L307-E649 WeakPolarHBondContact CD1-OE2 3.45Å; R610-E649 IonicContact CZ-OE1 2.81Å; R610-E649 IonicContact CZ-OE2 3.26Å; R610-E649 IonicContact NE-OE1 3.88Å; R610-E649 IonicContact NE-OE2 3.68Å; R610-E649 PolarHBondContact NE-OE2 3.27Å; R610-E649 IonicContact NH2-OE1 3.79Å; R610-E649 PolarHBondContact NH2-OE1 2.81Å; R610-E649 IonicContact NH2-OE2 3.55Å; R645-E649 WeakPolarHBondContact O-CG 3.44Å; R645-E649 PolarHBondContact O-N 3.33Å; F646-E649 PolarHBondContact O-N 3.49Å
650	L	97.7	Very high	91.4	Very high	7 Å²	7	66.1 Å²	66.1	4%	0.037	31%	0.309	C	S	.	.	S	Bend	trans	-73.6	159.6	178	-69	178	0	0	0	113.2	A303 L307 I617 F626 F646 L647 L648 Q652 L655	A303-L650 HydrophobicContact CB-CD2 4.08Å; A303-L650 WeakPolarHBondContact O-CD2 3.3Å; L307-L650 HydrophobicContact CB-CD2 3.89Å; I617-L650 HydrophobicContact CD1-CD2 4.03Å; F626-L650 HydrophobicContact CE2-CD1 3.76Å; F626-L650 HydrophobicContact CZ-CD1 3.69Å; F646-L650 WeakPolarHBondContact O-CG 3.16Å; F646-L650 PolarHBondContact O-N 2.93Å; L647-L650 HydrophobicContact CD2-CD1 4.33Å; L648-L650 VanDerWaalsContact C-N 3.27Å; L648-L650 PolarHBondContact O-N 2.86Å; L650-Q652 PolarHBondContact O-N 3.42Å; L650-Q652 PolarHBondContact O-NE2 2.87Å; L650-L655 HydrophobicContact CB-CD1 3.61Å; L650-L655 HydrophobicContact CB-CD2 4.01Å; L650-L655 HydrophobicContact CB-CG 4.49Å; L650-L655 HydrophobicContact CD1-CD1 4.16Å; L650-L655 HydrophobicContact CD1-CD2 4.15Å
651	P	96.6	Very high	89	Confident	8 Å²	8	67.7 Å²	67.7	5%	0.052	32%	0.315	C	S	.	.			trans	-62.4	100	173.3	24.3	-34	0	0	0	111.5	K302 A303 I306 D653 D654 L655	K302-P651 HydrophobicContact CG-CG 4.49Å; A303-P651 HydrophobicContact CB-CG 3.95Å; I306-P651 HydrophobicContact CD1-CB 3.68Å; I306-P651 HydrophobicContact CD1-CG 3.92Å; P651-D653 WeakPolarHBondContact CB-OD1 3.35Å; P651-D653 PolarHBondContact O-N 3.35Å; P651-D653 VanDerWaalsContact O-N 3.07Å; P651-D654 HydrophobicContact CB-CB 4.46Å; P651-D654 HydrophobicContact CG-CB 4.28Å; P651-D654 PolarHBondContact O-N 3.16Å; P651-L655 WeakPolarHBondContact O-CD1 3.24Å; P651-L655 PolarHBondContact O-N 2.87Å
652	Q	95.8	Very high	86.8	Confident	83 Å²	83	76 Å²	76	39%	0.388	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-60.4	-22.2	-175.9	-59.5	-55.4	-50.6	0	0	113.3	L647 L648 L650 D654 L655 W657	L647-Q652 PolarHBondContact O-NE2 3.3Å; L648-Q652 PolarHBondContact O-NE2 3.22Å; L648-Q652 VanDerWaalsContact O-NE2 3.14Å; L650-Q652 PolarHBondContact O-N 3.42Å; L650-Q652 PolarHBondContact O-NE2 2.87Å; Q652-D654 VanDerWaalsContact C-N 3.26Å; Q652-D654 PolarHBondContact O-N 2.83Å; Q652-L655 PolarHBondContact O-N 3.26Å; Q652-W657 VanDerWaalsContact OE1-NE1 3.11Å
653	D	94.8	Very high	84.5	Confident	113 Å²	113	76.3 Å²	76.3	60%	0.604	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-71.2	-17	174.3	60.7	-39.3	0	0	0	113.9	K302 P651	K302-D653 IonicContact NZ-OD1 2.72Å; K302-D653 PolarHBondContact NZ-OD1 2.88Å; K302-D653 IonicContact NZ-OD2 2.78Å; K302-D653 PolarHBondContact NZ-OD2 3.31Å; P651-D653 WeakPolarHBondContact CB-OD1 3.35Å; P651-D653 PolarHBondContact O-N 3.35Å; P651-D653 VanDerWaalsContact O-N 3.07Å
654	D	95.8	Very high	82.5	Confident	6 Å²	6	76.5 Å²	76.5	3%	0.032	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-109.4	2.2	177	-76.1	-48.9	0	0	0	113.2	R299 K302 Y325 L329 P651 Q652	R299-D654 HydrophobicContact CG-CB 3.87Å; R299-D654 IonicContact CZ-OD1 3.28Å; R299-D654 VanDerWaalsContact CZ-OD1 3.25Å; R299-D654 IonicContact NE-OD1 2.92Å; R299-D654 PolarHBondContact NE-OD1 2.9Å; R299-D654 IonicContact NH2-OD1 3.54Å; R299-D654 PolarHBondContact NH2-OD1 2.67Å; K302-D654 VanDerWaalsContact CD-OD2 3.28Å; K302-D654 WeakPolarHBondContact CD-OD2 3.2Å; K302-D654 WeakPolarHBondContact CE-OD2 3.13Å; K302-D654 IonicContact NZ-OD2 3.54Å; K302-D654 PolarHBondContact NZ-OD2 2.99Å; Y325-D654 PolarHBondContact OH-OD2 3.01Å; L329-D654 PolarHBondContact N-O 3.45Å; P651-D654 HydrophobicContact CB-CB 4.46Å; P651-D654 HydrophobicContact CG-CB 4.28Å; P651-D654 PolarHBondContact O-N 3.16Å; Q652-D654 VanDerWaalsContact C-N 3.26Å; Q652-D654 PolarHBondContact O-N 2.83Å
655	L	95.5	Very high	80.9	Confident	14 Å²	14	79 Å²	79	7%	0.073	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.6	178.6	-89.9	72.2	0	0	0	111.3	L329 V331 L650 P651 Q652 W657	L329-L655 HydrophobicContact CB-CD1 4.3Å; L329-L655 HydrophobicContact CB-CG 4.34Å; L329-L655 HydrophobicContact CD1-CD1 3.99Å; L329-L655 CarbonylContact O-C 3.53Å; L329-L655 WeakPolarHBondContact O-CA 3.47Å; V331-L655 HydrophobicContact CG2-CD2 3.85Å; V331-L655 HydrophobicContact CG2-CG 4.21Å; L650-L655 HydrophobicContact CB-CD1 3.61Å; L650-L655 HydrophobicContact CB-CD2 4.01Å; L650-L655 HydrophobicContact CB-CG 4.49Å; L650-L655 HydrophobicContact CD1-CD1 4.16Å; L650-L655 HydrophobicContact CD1-CD2 4.15Å; P651-L655 WeakPolarHBondContact O-CD1 3.24Å; P651-L655 PolarHBondContact O-N 2.87Å; Q652-L655 PolarHBondContact O-N 3.26Å; L655-W657 HydrophobicContact CD2-CZ2 4.42Å
656	I	95.9	Very high	79.5	Confident	78 Å²	78	79.1 Å²	79.1	40%	0.4	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	106.2	165.6	-58.9	175.6	0	0	0	108.5	E328 L329 V331	E328-I656 HydrophobicContact CB-CD1 3.63Å; E328-I656 HydrophobicContact CB-CG1 3.7Å; E328-I656 HydrophobicContact CG-CD1 4.33Å; E328-I656 HydrophobicContact CG-CG1 4.37Å; E328-I656 WeakPolarHBondContact OE2-CD1 3.47Å; E328-I656 WeakPolarHBondContact OE2-CG1 3.34Å; L329-I656 PolarHBondContact O-N 3.39Å; V331-I656 PolarHBondContact N-O 3.48Å
657	W	93.6	Very high	78.1	Confident	70 Å²	70	86.2 Å²	86.2	27%	0.265	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	122.5	165.7	-66	82.8	0	0	0	109.4	V331 L628 P643 L647 L648 Q652 L655 Q659	V331-W657 HydrophobicContact CB-CD2 4.11Å; V331-W657 HydrophobicContact CB-CE3 4.06Å; V331-W657 HydrophobicContact CB-CG 4.49Å; V331-W657 HydrophobicContact CB-CZ3 4.5Å; V331-W657 HydrophobicContact CG1-CD2 4.14Å; V331-W657 HydrophobicContact CG1-CE3 3.62Å; V331-W657 HydrophobicContact CG1-CH2 4.17Å; V331-W657 HydrophobicContact CG1-CZ3 3.64Å; V331-W657 HydrophobicContact CG2-CD2 4.39Å; L628-W657 HydrophobicContact CD2-CZ3 4.26Å; P643-W657 HydrophobicContact CB-CH2 4.29Å; L647-W657 HydrophobicContact CB-CH2 3.86Å; L647-W657 HydrophobicContact CB-CZ2 4.01Å; L647-W657 HydrophobicContact CD1-CH2 3.92Å; L647-W657 HydrophobicContact CD1-CZ3 4.39Å; L648-W657 HydrophobicContact CD2-CH2 4.25Å; L648-W657 HydrophobicContact CD2-CZ2 4.11Å; Q652-W657 VanDerWaalsContact OE1-NE1 3.11Å; L655-W657 HydrophobicContact CD2-CZ2 4.42Å; W657-Q659 HydrophobicContact CB-CG 4.31Å; W657-Q659 PolarHBondContact O-N 3.31Å
658	E	81.2	Confident	76.4	Confident	76 Å²	76	91.4 Å²	91.4	36%	0.355	45%	0.454	S	S	.	.			trans	-71.9	71.3	170.1	-165.9	174.6	-140.4	0	0	109	V331 L332 R343	V331-E658 PolarHBondContact O-N 3.11Å; L332-E658 HydrophobicContact CD2-CB 4.16Å; L332-E658 WeakPolarHBondContact CD2-OE2 3.34Å; R343-E658 IonicContact CZ-OE1 2.95Å; R343-E658 IonicContact NE-OE2 3.76Å; R343-E658 IonicContact NH2-OE1 2.66Å; R343-E658 PolarHBondContact NH2-OE1 2.93Å; R343-E658 IonicContact NH2-OE2 3.84Å
659	Q	61.5	Low	74.7	Confident	162 Å²	162	94.9 Å²	94.9	76%	0.757	46%	0.459	S	S	*	.			trans	-68.3	143.7	167.4	-68.5	-169.2	0.3	0	0	109	W657 R661	W657-Q659 HydrophobicContact CB-CG 4.31Å; W657-Q659 PolarHBondContact O-N 3.31Å; Q659-R661 PolarHBondContact O-N 3.28Å
660	E	48.6	Very low	73.3	Confident	161 Å²	161	98.9 Å²	98.9	75%	0.752	48%	0.48	S	S	*	.	S	Bend	trans	-38.3	114.1	-177.3	-76.1	178.2	178.8	0	0	110.3	K630 K662	K630-E660 IonicContact NZ-OE1 3.12Å; K630-E660 PolarHBondContact NZ-OE1 3.28Å; K630-E660 VanDerWaalsContact NZ-OE1 3.12Å; E660-K662 PolarHBondContact O-N 3.04Å
661	R	43.8	Very low	72.1	Confident	219 Å²	219	105.1 Å²	105.1	83%	0.826	51%	0.509	S	S	*	.			trans	-25.1	113.5	-177.2	-80.4	176.3	170.8	171.5	-2.2	110	Q659 V663	Q659-R661 PolarHBondContact O-N 3.28Å; R661-V663 PolarHBondContact O-N 3.32Å
662	K	44.7	Very low	70.6	Confident	193 Å²	193	111.6 Å²	111.6	84%	0.839	54%	0.536	S	S	*	.			trans	-38.9	121.2	159.5	-98.3	-178.3	175.2	176.7	0	106.3	E660 V664	E660-K662 PolarHBondContact O-N 3.04Å; K662-V664 VanDerWaalsContact C-N 3.26Å; K662-V664 WeakPolarHBondContact O-CG2 3.41Å; K662-V664 PolarHBondContact O-N 3.36Å
663	V	46.8	Very low	69.3	Low	145 Å²	145	109.6 Å²	109.6	88%	0.879	54%	0.537	S	S	*	.			trans	-55.5	99.2	180	176.8	0	0	0	0	106.5	R661 S665	R661-V663 PolarHBondContact O-N 3.32Å; V663-S665 PolarHBondContact O-N 3.01Å
664	V	54.6	Low	68.2	Low	40 Å²	40	110.1 Å²	110.1	24%	0.242	54%	0.536	C	S	.	.			trans	-61.6	120.2	-177.8	-175.8	0	0	0	0	105.5	K662 E668 R669	K662-V664 VanDerWaalsContact C-N 3.26Å; K662-V664 WeakPolarHBondContact O-CG2 3.41Å; K662-V664 PolarHBondContact O-N 3.36Å; V664-E668 HydrophobicContact CG1-CB 3.33Å; V664-E668 HydrophobicContact CG1-CG 4.46Å; V664-R669 HydrophobicContact CB-CG 4.31Å; V664-R669 HydrophobicContact CG1-CG 3.99Å
665	S	63.8	Low	66.9	Low	52 Å²	52	112.7 Å²	112.7	36%	0.364	55%	0.554	S	S	.	*			trans	-58.3	155.6	-178.4	73.2	0	0	0	0	109.8	V663 E667 E668 R669	V663-S665 PolarHBondContact O-N 3.01Å; S665-E667 PolarHBondContact O-N 3.16Å; S665-E667 VanDerWaalsContact O-N 3.11Å; S665-E668 PolarHBondContact O-N 3.3Å; S665-E668 VanDerWaalsContact O-N 3.1Å; S665-E668 PolarHBondContact OG-N 3Å; S665-R669 PolarHBondContact O-N 2.98Å
666	A	68.1	Low	65.5	Low	83 Å²	83	118.2 Å²	118.2	69%	0.686	58%	0.579	S	S	*	*	H	α-helix	trans	-54.6	-32.7	178	0	0	0	0	0	111.9	M670	A666-M670 PolarHBondContact O-N 3.4Å
667	E	68.9	Low	64.1	Low	150 Å²	150	119.5 Å²	119.5	70%	0.701	59%	0.587	S	S	*	*	H	α-helix	trans	-68.1	-45	176	-71.7	179.8	151.4	0	0	113	S665 R669 M670 Q671	S665-E667 PolarHBondContact O-N 3.16Å; S665-E667 VanDerWaalsContact O-N 3.11Å; E667-R669 VanDerWaalsContact C-N 3.32Å; E667-R669 PolarHBondContact O-N 3.38Å; E667-M670 PolarHBondContact O-N 2.95Å; E667-Q671 PolarHBondContact O-N 3.44Å
668	E	63.6	Low	63.1	Low	109 Å²	109	118.8 Å²	118.8	51%	0.509	60%	0.596	S	S	.	*	H	α-helix	trans	-66.6	-33.6	176.4	-79.6	-175.6	150.8	0	0	112.1	V664 S665 Q671 K672	V664-E668 HydrophobicContact CG1-CB 3.33Å; V664-E668 HydrophobicContact CG1-CG 4.46Å; S665-E668 PolarHBondContact O-N 3.3Å; S665-E668 VanDerWaalsContact O-N 3.1Å; S665-E668 PolarHBondContact OG-N 3Å; E668-Q671 PolarHBondContact O-N 2.92Å; E668-K672 WeakPolarHBondContact O-CB 3.49Å; E668-K672 PolarHBondContact O-N 3.31Å
669	R	61	Low	62.5	Low	181 Å²	181	120.1 Å²	120.1	68%	0.683	61%	0.606	S	S	*	*	H	α-helix	trans	-64.6	-42	170.6	-87.5	-177.1	177.7	172.9	1.2	111.8	V664 S665 E667 G673	V664-R669 HydrophobicContact CB-CG 4.31Å; V664-R669 HydrophobicContact CG1-CG 3.99Å; S665-R669 PolarHBondContact O-N 2.98Å; E667-R669 VanDerWaalsContact C-N 3.32Å; E667-R669 PolarHBondContact O-N 3.38Å; R669-G673 PolarHBondContact O-N 3.04Å
670	M	68.1	Low	62.9	Low	127 Å²	127	117 Å²	117	63%	0.626	59%	0.594	S	S	*	*	H	α-helix	trans	-63.6	-44.1	175.3	-101.7	-177.8	75.6	0	0	111.8	A666 E667 G673 Q674	A666-M670 PolarHBondContact O-N 3.4Å; E667-M670 PolarHBondContact O-N 2.95Å; M670-G673 PolarHBondContact O-N 2.99Å; M670-Q674 WeakPolarHBondContact O-CB 3.45Å; M670-Q674 WeakPolarHBondContact O-CG 3.38Å; M670-Q674 PolarHBondContact O-N 3.12Å
671	Q	71.8	Confident	63.9	Low	138 Å²	138	116.2 Å²	116.2	65%	0.645	59%	0.588	S	S	*	*	H	α-helix	trans	-65.8	-45	178.3	-78	-174.5	-3	0	0	112.5	E667 E668 G673 Q674 S675	E667-Q671 PolarHBondContact O-N 3.44Å; E668-Q671 PolarHBondContact O-N 2.92Å; Q671-G673 VanDerWaalsContact C-N 3.33Å; Q671-G673 PolarHBondContact O-N 3.01Å; Q671-Q674 PolarHBondContact O-N 2.92Å; Q671-S675 WeakPolarHBondContact O-CB 3.38Å; Q671-S675 PolarHBondContact O-N 3.39Å; Q671-S675 PolarHBondContact O-OG 2.78Å
672	K	65.1	Low	65.3	Low	144 Å²	144	108.5 Å²	108.5	63%	0.626	57%	0.571	S	S	*	*	H	α-helix	trans	-60.9	-42.8	173.4	-88.2	-175.5	174.9	176.3	0	111.5	E668 S675 H676	E668-K672 WeakPolarHBondContact O-CB 3.49Å; E668-K672 PolarHBondContact O-N 3.31Å; K672-S675 PolarHBondContact O-N 2.9Å; K672-S675 PolarHBondContact O-OG 3.32Å; K672-H676 PolarHBondContact O-N 2.95Å
673	G	67.4	Low	66.4	Low	40 Å²	40	106 Å²	106	41%	0.412	56%	0.563	S	S	.	*	H	α-helix	trans	-59.7	-45.2	175.5	0	0	0	0	0	113	R669 M670 Q671 H676 L677	R669-G673 PolarHBondContact O-N 3.04Å; M670-G673 PolarHBondContact O-N 2.99Å; Q671-G673 VanDerWaalsContact C-N 3.33Å; Q671-G673 PolarHBondContact O-N 3.01Å; G673-H676 PolarHBondContact O-N 2.93Å; G673-L677 WeakPolarHBondContact O-CB 3.4Å; G673-L677 PolarHBondContact O-N 2.91Å
674	Q	72.5	Confident	67.4	Low	124 Å²	124	105.2 Å²	105.2	58%	0.579	55%	0.552	S	S	*	*	H	α-helix	trans	-65.4	-40.6	176.8	-74.4	179	1.3	0	0	112.3	M670 Q671 L677 A678	M670-Q674 WeakPolarHBondContact O-CB 3.45Å; M670-Q674 WeakPolarHBondContact O-CG 3.38Å; M670-Q674 PolarHBondContact O-N 3.12Å; Q671-Q674 PolarHBondContact O-N 2.92Å; Q674-L677 PolarHBondContact O-N 2.7Å; Q674-A678 WeakPolarHBondContact O-CB 3.47Å; Q674-A678 PolarHBondContact O-N 3.35Å
675	S	69.6	Low	68.1	Low	60 Å²	60	106.4 Å²	106.4	42%	0.42	57%	0.566	S	S	.	*	H	α-helix	trans	-65.3	-39.5	176.6	74.5	0	0	0	0	112.7	Q671 K672 A678 N679	Q671-S675 WeakPolarHBondContact O-CB 3.38Å; Q671-S675 PolarHBondContact O-N 3.39Å; Q671-S675 PolarHBondContact O-OG 2.78Å; K672-S675 PolarHBondContact O-N 2.9Å; K672-S675 PolarHBondContact O-OG 3.32Å; S675-A678 PolarHBondContact O-N 3.48Å; S675-N679 PolarHBondContact O-N 2.97Å
676	H	64.5	Low	68.1	Low	130 Å²	130	107.3 Å²	107.3	60%	0.602	58%	0.577	S	S	*	*	H	α-helix	trans	-66.3	-40.5	175.3	-109.1	-57.8	0	0	0	112	K672 G673 A678 N679 L680	K672-H676 PolarHBondContact O-N 2.95Å; G673-H676 PolarHBondContact O-N 2.93Å; H676-A678 VanDerWaalsContact C-N 3.34Å; H676-N679 PolarHBondContact O-N 3.34Å; H676-L680 WeakPolarHBondContact O-CB 3.49Å; H676-L680 PolarHBondContact O-N 3.46Å
677	L	68	Low	67.5	Low	105 Å²	105	111.7 Å²	111.7	55%	0.55	58%	0.58	S	S	.	*	H	α-helix	trans	-66.8	-37.2	177	-147.2	104.3	0	0	0	111.7	G673 Q674 K681	G673-L677 WeakPolarHBondContact O-CB 3.4Å; G673-L677 PolarHBondContact O-N 2.91Å; Q674-L677 PolarHBondContact O-N 2.7Å; L677-K681 WeakPolarHBondContact O-CB 3.43Å; L677-K681 WeakPolarHBondContact O-CG 3.46Å; L677-K681 PolarHBondContact O-N 3.43Å
678	A	71.2	Confident	67	Low	56 Å²	56	115.5 Å²	115.5	46%	0.463	59%	0.588	S	S	.	*	H	α-helix	trans	-65	-43.9	174.6	0	0	0	0	0	111.8	Q674 S675 H676 K681 A682	Q674-A678 WeakPolarHBondContact O-CB 3.47Å; Q674-A678 PolarHBondContact O-N 3.35Å; S675-A678 PolarHBondContact O-N 3.48Å; H676-A678 VanDerWaalsContact C-N 3.34Å; A678-K681 PolarHBondContact O-N 3.36Å; A678-A682 WeakPolarHBondContact O-CB 3.47Å; A678-A682 PolarHBondContact O-N 3.02Å
679	N	69.2	Low	66.5	Low	104 Å²	104	113.8 Å²	113.8	56%	0.556	60%	0.6	S	S	*	*	H	α-helix	trans	-65.9	-39.9	176.3	-79.7	-16	0	0	0	112.7	S675 H676 A682 M683	S675-N679 PolarHBondContact O-N 2.97Å; H676-N679 PolarHBondContact O-N 3.34Å; N679-A682 PolarHBondContact O-N 2.96Å; N679-M683 PolarHBondContact O-N 3.17Å
680	L	68.8	Low	65.4	Low	97 Å²	97	116.9 Å²	116.9	51%	0.508	62%	0.618	S	S	.	*	H	α-helix	trans	-62.7	-42.1	173	-92.4	156.9	0	0	0	112	H676 M683 M684	H676-L680 WeakPolarHBondContact O-CB 3.49Å; H676-L680 PolarHBondContact O-N 3.46Å; L680-M683 PolarHBondContact O-N 3.5Å; L680-M684 WeakPolarHBondContact O-CG 3.46Å; L680-M684 PolarHBondContact O-N 2.93Å
681	K	70.9	Confident	65.3	Low	144 Å²	144	116.4 Å²	116.4	63%	0.626	62%	0.618	S	S	*	*	H	α-helix	trans	-62.9	-41.3	173.9	-80.5	-176.8	177.7	-179.3	0	111.9	L677 A678 M684 A685	L677-K681 WeakPolarHBondContact O-CB 3.43Å; L677-K681 WeakPolarHBondContact O-CG 3.46Å; L677-K681 PolarHBondContact O-N 3.43Å; A678-K681 PolarHBondContact O-N 3.36Å; K681-M684 PolarHBondContact O-N 3.1Å; K681-A685 WeakPolarHBondContact O-CB 3.33Å; K681-A685 PolarHBondContact O-N 2.9Å
682	A	72.7	Confident	65	Low	57 Å²	57	115.2 Å²	115.2	47%	0.471	62%	0.616	S	S	.	*	H	α-helix	trans	-64.5	-42.6	177	0	0	0	0	0	112.3	A678 N679 A685 A686	A678-A682 WeakPolarHBondContact O-CB 3.47Å; A678-A682 PolarHBondContact O-N 3.02Å; N679-A682 PolarHBondContact O-N 2.96Å; A682-A685 PolarHBondContact O-N 3.27Å; A682-A686 WeakPolarHBondContact O-CB 3.46Å; A682-A686 PolarHBondContact O-N 3.18Å
683	M	67.6	Low	65	Low	139 Å²	139	113.6 Å²	113.6	69%	0.685	62%	0.616	S	S	*	*	H	α-helix	trans	-65.7	-37.6	175.6	-75.4	-177.1	76.8	0	0	112.8	N679 L680 K687	N679-M683 PolarHBondContact O-N 3.17Å; L680-M683 PolarHBondContact O-N 3.5Å; M683-K687 PolarHBondContact O-N 2.95Å
684	M	67.7	Low	64.8	Low	129 Å²	129	117.9 Å²	117.9	64%	0.635	63%	0.628	S	S	*	*	H	α-helix	trans	-71.4	-35.6	175.7	-73.4	-143.8	-110.9	0	0	112.7	L680 K681 K687 R688	L680-M684 WeakPolarHBondContact O-CG 3.46Å; L680-M684 PolarHBondContact O-N 2.93Å; K681-M684 PolarHBondContact O-N 3.1Å; M684-K687 PolarHBondContact O-N 3.45Å; M684-R688 PolarHBondContact O-N 3.11Å
685	A	69	Low	64.3	Low	65 Å²	65	117.6 Å²	117.6	54%	0.537	63%	0.631	S	S	.	*	H	α-helix	trans	-65.6	-41.6	173.7	0	0	0	0	0	111.8	K681 A682 K687 R688 G689	K681-A685 WeakPolarHBondContact O-CB 3.33Å; K681-A685 PolarHBondContact O-N 2.9Å; A682-A685 PolarHBondContact O-N 3.27Å; A685-K687 PolarHBondContact O-N 3.04Å; A685-R688 PolarHBondContact O-N 2.87Å; A685-R688 VanDerWaalsContact O-N 3.11Å; A685-G689 PolarHBondContact O-N 3.01Å
686	A	63.7	Low	64	Low	71 Å²	71	121.4 Å²	121.4	59%	0.587	65%	0.645	S	S	*	*	H	α-helix	trans	-63.9	-25.5	175.4	0	0	0	0	0	113.5	A682	A682-A686 WeakPolarHBondContact O-CB 3.46Å; A682-A686 PolarHBondContact O-N 3.18Å
687	K	57.3	Low	63.9	Low	175 Å²	175	120.8 Å²	120.8	76%	0.761	65%	0.648	S	S	*	*	H	α-helix	trans	-81.7	-18.9	173.9	-101.8	-174.2	175.4	-177.3	0	114.4	M683 M684 A685	M683-K687 PolarHBondContact O-N 2.95Å; M684-K687 PolarHBondContact O-N 3.45Å; A685-K687 PolarHBondContact O-N 3.04Å
688	R	57.7	Low	63.6	Low	230 Å²	230	122 Å²	122	87%	0.868	66%	0.655	S	S	*	*	H	α-helix	trans	-93.3	-11.6	177.5	-82.4	-176.9	165.2	-177.3	-4.1	113.8	M684 A685	M684-R688 PolarHBondContact O-N 3.11Å; A685-R688 PolarHBondContact O-N 2.87Å; A685-R688 VanDerWaalsContact O-N 3.11Å
689	G	52	Low	63	Low	73 Å²	73	127.5 Å²	127.5	75%	0.753	67%	0.671	S	S	*	*			trans	-98.3	7.6	177.5	0	0	0	0	0	115.1	A685	A685-G689 PolarHBondContact O-N 3.01Å
690	K	39.3	Very low	62.4	Low	246 Å²	246	129.6 Å²	129.6	100%	1.07	68%	0.682	S	S	*	*			trans	-114.1	0	164.8	-79.9	-174.4	175.3	-176.4	0	107.8

Retrieved 690 of 690 residues in 448.8 ms (Link to these results)

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