A0A5K4F2G7_SCHMA Loading...

ATP-dependent RNA helicase

RNA helicase.

AlphaFold DB (G4VHA2), UniProt , Accession A0A5K4F2G7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 603 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	33.4	Very low	56.2	Low	236 Å²	236	137.8 Å²	137.8	100%	1.163	75%	0.75	S	S	*	*				0	110.1	0	-78.8	176.4	160.9	0	0	107.7
2	N	38.7	Very low	57.9	Low	164 Å²	164	135.7 Å²	135.7	88%	0.877	74%	0.735	S	S	*	*			trans	-169	75.7	158.5	-94.8	-8.2	0	0	0	104.7
3	C	39.3	Very low	59.2	Low	126 Å²	126	131.3 Å²	131.3	85%	0.851	74%	0.741	S	S	*	*			trans	-83.1	115.3	164.9	-78.6	0	0	0	0	106.4	T5	C3-T5 PolarHBondContact O-N 2.86Å; C3-T5 VanDerWaalsContact O-N 3.15Å
4	D	46.9	Very low	60.8	Low	159 Å²	159	126.6 Å²	126.6	85%	0.85	74%	0.737	S	S	*	*			trans	-49.4	114.2	177.9	-69.5	-43	0	0	0	111.5	A6	D4-A6 VanDerWaalsContact C-N 3.29Å; D4-A6 PolarHBondContact O-N 3Å
5	T	45	Very low	61.6	Low	128 Å²	128	129 Å²	129	79%	0.785	74%	0.735	S	S	*	*			trans	-74.4	83.7	169.7	49.8	0	0	0	0	108.9	C3 T7	C3-T5 PolarHBondContact O-N 2.86Å; C3-T5 VanDerWaalsContact O-N 3.15Å; T5-T7 PolarHBondContact O-N 2.78Å
6	A	55	Low	63.1	Low	95 Å²	95	126.3 Å²	126.3	79%	0.785	72%	0.722	S	S	*	*			trans	-63.6	102.1	165.8	0	0	0	0	0	108.8	D4 K8	D4-A6 VanDerWaalsContact C-N 3.29Å; D4-A6 PolarHBondContact O-N 3Å; A6-K8 PolarHBondContact O-N 3.18Å
7	T	58.1	Low	64	Low	95 Å²	95	122.7 Å²	122.7	58%	0.583	70%	0.703	S	S	*	*			trans	-65.8	113.2	178.5	36.5	0	0	0	0	110.6	T5 N19	T5-T7 PolarHBondContact O-N 2.78Å; T7-N19 PolarHBondContact O-ND2 3.07Å
8	K	67.3	Low	64.7	Low	187 Å²	187	122.3 Å²	122.3	81%	0.813	70%	0.697	S	S	*	*			trans	-51.1	141	175.8	-74.3	-179	176.7	177.9	0	112	A6 N19	A6-K8 PolarHBondContact O-N 3.18Å; K8-N19 PolarHBondContact O-ND2 2.64Å; K8-N19 VanDerWaalsContact O-ND2 3.08Å
9	D	76.8	Confident	64.9	Low	55 Å²	55	118.3 Å²	118.3	29%	0.294	67%	0.673	S	S	.	*			trans	-56.1	138.9	173.5	-61.5	-27.3	0	0	0	109.9	T16 V17 I18 N19 K21	D9-T16 HydrophobicContact CB-CG2 4Å; D9-V17 WeakPolarHBondContact CA-O 3.29Å; D9-I18 WeakPolarHBondContact OD1-CA 3.4Å; D9-N19 PolarHBondContact OD1-N 2.89Å; D9-K21 IonicContact OD1-NZ 3.8Å; D9-K21 VanDerWaalsContact OD2-CE 3.26Å; D9-K21 WeakPolarHBondContact OD2-CE 3.39Å; D9-K21 IonicContact OD2-NZ 2.61Å; D9-K21 PolarHBondContact OD2-NZ 3.36Å
10	R	78.3	Confident	64.7	Low	172 Å²	172	122.3 Å²	122.3	65%	0.649	69%	0.686	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-109.3	137.7	-175.7	-69.9	-175.2	179	-178.8	0.3	110.7	T16 V17	R10-T16 CarbonylContact O-C 3.54Å; R10-V17 PolarHBondContact N-O 3.4Å; R10-V17 WeakPolarHBondContact O-CA 3.26Å; R10-V17 WeakPolarHBondContact O-CB 3.47Å; R10-V17 PolarHBondContact O-N 3.41Å
11	V	79.1	Confident	64.6	Low	99 Å²	99	122.9 Å²	122.9	60%	0.6	68%	0.681	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.6	115.2	171.9	-175.8	0	0	0	0	108.7	F15 T16	V11-F15 CarbonylContact C-O 3.54Å; V11-F15 WeakPolarHBondContact CA-O 3.43Å; V11-T16 HydrophobicContact CG2-CG2 4.41Å
12	I	76.8	Confident	65.7	Low	112 Å²	112	118.1 Å²	118.1	57%	0.574	67%	0.666	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114	116.7	175.3	-55.9	179.1	0	0	0	107.9	G14 F15 V17	I12-G14 PolarHBondContact O-N 3.46Å; I12-G14 VanDerWaalsContact O-N 3.16Å; I12-F15 PolarHBondContact N-O 3.3Å; I12-F15 WeakPolarHBondContact O-CB 3.37Å; I12-F15 PolarHBondContact O-N 3.21Å; I12-V17 HydrophobicContact CB-CG2 4.49Å; I12-V17 HydrophobicContact CD1-CG2 4.05Å; I12-V17 HydrophobicContact CG1-CG2 4.22Å
13	G	74.8	Confident	66.5	Low	79 Å²	79	120.1 Å²	120.1	81%	0.814	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	60	25.8	177.1	0	0	0	0	0	115
14	G	81.6	Confident	67.5	Low	66 Å²	66	119.2 Å²	119.2	68%	0.68	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	91.9	-5	-174.4	0	0	0	0	0	114.9	I12	I12-G14 PolarHBondContact O-N 3.46Å; I12-G14 VanDerWaalsContact O-N 3.16Å
15	F	73	Confident	67.8	Low	162 Å²	162	121.5 Å²	121.5	71%	0.711	66%	0.664	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.2	120.5	175.2	-61.7	-84.4	0	0	0	110.9	V11 I12 V17	V11-F15 CarbonylContact C-O 3.54Å; V11-F15 WeakPolarHBondContact CA-O 3.43Å; I12-F15 PolarHBondContact N-O 3.3Å; I12-F15 WeakPolarHBondContact O-CB 3.37Å; I12-F15 PolarHBondContact O-N 3.21Å; F15-V17 PolarHBondContact O-N 3.03Å
16	T	85	Confident	68.3	Low	86 Å²	86	119.5 Å²	119.5	53%	0.528	66%	0.66	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74	104.8	171.5	-48.8	0	0	0	0	109.8	D9 R10 V11 I18	D9-T16 HydrophobicContact CB-CG2 4Å; R10-T16 CarbonylContact O-C 3.54Å; V11-T16 HydrophobicContact CG2-CG2 4.41Å; T16-I18 PolarHBondContact O-N 2.99Å
17	V	78.7	Confident	68.2	Low	65 Å²	65	123.6 Å²	123.6	39%	0.394	66%	0.663	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.3	102.7	167.9	-174.9	0	0	0	0	107.9	D9 R10 I12 F15 N19	D9-V17 WeakPolarHBondContact CA-O 3.29Å; R10-V17 PolarHBondContact N-O 3.4Å; R10-V17 WeakPolarHBondContact O-CA 3.26Å; R10-V17 WeakPolarHBondContact O-CB 3.47Å; R10-V17 PolarHBondContact O-N 3.41Å; I12-V17 HydrophobicContact CB-CG2 4.49Å; I12-V17 HydrophobicContact CD1-CG2 4.05Å; I12-V17 HydrophobicContact CG1-CG2 4.22Å; F15-V17 PolarHBondContact O-N 3.03Å; V17-N19 PolarHBondContact O-N 3.22Å
18	I	76.8	Confident	67.9	Low	115 Å²	115	126.6 Å²	126.6	59%	0.59	68%	0.675	S	S	*	*			trans	-74.7	114.9	175.4	-53.5	172.7	0	0	0	107.3	D9 T16 K21	D9-I18 WeakPolarHBondContact OD1-CA 3.4Å; T16-I18 PolarHBondContact O-N 2.99Å; I18-K21 HydrophobicContact CG2-CD 4.32Å
19	N	68	Low	67.2	Low	46 Å²	46	123.9 Å²	123.9	25%	0.246	67%	0.674	C	S	.	*			trans	-71.5	162.4	176.2	-73.6	-32.5	0	0	0	110.1	T7 K8 D9 V17 K21	T7-N19 PolarHBondContact O-ND2 3.07Å; K8-N19 PolarHBondContact O-ND2 2.64Å; K8-N19 VanDerWaalsContact O-ND2 3.08Å; D9-N19 PolarHBondContact OD1-N 2.89Å; V17-N19 PolarHBondContact O-N 3.22Å; N19-K21 VanDerWaalsContact C-N 3.3Å; N19-K21 PolarHBondContact O-N 3.03Å
20	E	61.5	Low	66.1	Low	199 Å²	199	129.7 Å²	129.7	93%	0.93	70%	0.699	S	S	*	*			trans	-58	90	178.7	-70.7	-170.5	161	0	0	111.1	T22	E20-T22 PolarHBondContact O-N 3.38Å
21	K	62.2	Low	65.1	Low	135 Å²	135	128.8 Å²	128.8	59%	0.587	70%	0.702	S	S	*	*			trans	-67.4	119.2	167.5	-68.2	177.8	-175.9	169.8	0	105.7	D9 I18 N19 K23	D9-K21 IonicContact OD1-NZ 3.8Å; D9-K21 VanDerWaalsContact OD2-CE 3.26Å; D9-K21 WeakPolarHBondContact OD2-CE 3.39Å; D9-K21 IonicContact OD2-NZ 2.61Å; D9-K21 PolarHBondContact OD2-NZ 3.36Å; I18-K21 HydrophobicContact CG2-CD 4.32Å; N19-K21 VanDerWaalsContact C-N 3.3Å; N19-K21 PolarHBondContact O-N 3.03Å; K21-K23 PolarHBondContact O-N 3.29Å
22	T	57.6	Low	64.4	Low	136 Å²	136	130.9 Å²	130.9	83%	0.834	72%	0.715	S	S	*	*			trans	-47.2	112.5	166.8	44.6	0	0	0	0	107.1	E20 S24	E20-T22 PolarHBondContact O-N 3.38Å; T22-S24 VanDerWaalsContact C-N 3.3Å; T22-S24 PolarHBondContact O-N 2.8Å
23	K	55.5	Low	64.1	Low	206 Å²	206	126.7 Å²	126.7	90%	0.896	69%	0.694	S	S	*	*			trans	-57.2	95.1	-179.3	-78.4	178.5	178.2	171.8	0	108	K21 K25	K21-K23 PolarHBondContact O-N 3.29Å; K23-K25 PolarHBondContact O-N 3.15Å
24	S	58.9	Low	64.1	Low	106 Å²	106	125 Å²	125	74%	0.741	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-59.4	123.3	163.7	54.6	0	0	0	0	105.6	T22 A26	T22-S24 VanDerWaalsContact C-N 3.3Å; T22-S24 PolarHBondContact O-N 2.8Å; S24-A26 PolarHBondContact O-N 2.7Å
25	K	54.3	Low	63.9	Low	207 Å²	207	128.4 Å²	128.4	90%	0.9	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-51.8	116.2	172.4	-74.9	180	179.7	174.5	0	106.5	K23 H27	K23-K25 PolarHBondContact O-N 3.15Å; K25-H27 PolarHBondContact O-N 3.48Å; K25-H27 VanDerWaalsContact O-N 3.12Å
26	A	55.4	Low	64.2	Low	86 Å²	86	122.9 Å²	122.9	71%	0.711	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-52.6	125	174.7	0	0	0	0	0	107.2	S24 N28	S24-A26 PolarHBondContact O-N 2.7Å; A26-N28 PolarHBondContact O-N 2.98Å
27	H	53.2	Low	64	Low	182 Å²	182	119.2 Å²	119.2	84%	0.843	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-56.6	119.3	170.4	-101.3	-65.9	0	0	0	106.5	K25 V29	K25-H27 PolarHBondContact O-N 3.48Å; K25-H27 VanDerWaalsContact O-N 3.12Å; H27-V29 VanDerWaalsContact C-N 3.32Å; H27-V29 PolarHBondContact O-N 3.01Å
28	N	50.6	Low	64	Low	158 Å²	158	119.3 Å²	119.3	85%	0.845	62%	0.617	S	S	*	*			trans	-61.6	101.4	171	-85.5	-20.4	0	0	0	106.8	A26 Q30	A26-N28 PolarHBondContact O-N 2.98Å; N28-Q30 PolarHBondContact O-N 2.76Å
29	V	53.5	Low	64.3	Low	130 Å²	130	120.1 Å²	120.1	79%	0.788	62%	0.616	S	S	*	*			trans	-61.9	120.5	169.8	-179.6	0	0	0	0	106.4	H27 E31	H27-V29 VanDerWaalsContact C-N 3.32Å; H27-V29 PolarHBondContact O-N 3.01Å; V29-E31 PolarHBondContact O-N 3.08Å
30	Q	53.3	Low	65.2	Low	177 Å²	177	118.9 Å²	118.9	83%	0.827	61%	0.611	S	S	*	*			trans	-70.8	110.4	170.6	-82	-179.1	-18.7	0	0	107.7	N28 V32	N28-Q30 PolarHBondContact O-N 2.76Å; Q30-V32 PolarHBondContact O-N 3.07Å; Q30-V32 VanDerWaalsContact O-N 3.12Å
31	E	57.1	Low	66.5	Low	152 Å²	152	114.2 Å²	114.2	71%	0.71	59%	0.589	S	S	*	*			trans	-58.5	115.6	170.9	-76	177.2	-178.1	0	0	109.3	V29 L33	V29-E31 PolarHBondContact O-N 3.08Å; E31-L33 PolarHBondContact O-N 2.76Å
32	V	64.4	Low	67.7	Low	143 Å²	143	112.3 Å²	112.3	87%	0.867	59%	0.585	S	S	*	*			trans	-81.7	97.5	172.8	-178	0	0	0	0	107.7	Q30	Q30-V32 PolarHBondContact O-N 3.07Å; Q30-V32 VanDerWaalsContact O-N 3.12Å
33	L	71	Confident	69	Low	24 Å²	24	106.8 Å²	106.8	13%	0.126	55%	0.55	C	S	.	.			trans	-74.2	146.6	177	-66.6	175.3	0	0	0	111.4	E31 I37 T38 V369	E31-L33 PolarHBondContact O-N 2.76Å; L33-I37 HydrophobicContact CD1-CG2 4.24Å; L33-T38 HydrophobicContact CB-CG2 3.85Å; L33-V369 HydrophobicContact CD1-CB 4.18Å; L33-V369 HydrophobicContact CD1-CG1 3.7Å; L33-V369 HydrophobicContact CD1-CG2 3.33Å
34	P	75.5	Confident	70.3	Confident	45 Å²	45	98.2 Å²	98.2	29%	0.292	52%	0.516	S	S	.	.			trans	-54.5	144.2	172.2	-26.6	33.8	0	0	0	113.1	W36 I37 T38 P296	P34-W36 VanDerWaalsContact C-N 3.28Å; P34-W36 PolarHBondContact O-N 2.98Å; P34-W36 VanDerWaalsContact O-N 3.13Å; P34-I37 HydrophobicContact CB-CG1 4.45Å; P34-I37 HydrophobicContact CG-CD1 4.31Å; P34-I37 WeakPolarHBondContact O-CB 3.48Å; P34-I37 PolarHBondContact O-N 3.37Å; P34-T38 PolarHBondContact O-N 3.22Å; P34-P296 HydrophobicContact CG-CB 3.95Å; P34-P296 HydrophobicContact CG-CG 4.4Å
35	F	77.1	Confident	71	Confident	137 Å²	137	94.6 Å²	94.6	60%	0.601	49%	0.49	S	S	*	.	H	α-helix	trans	-51.1	-43	-175.1	-177.9	-96.8	0	0	0	114	I37 T38 K39	F35-I37 PolarHBondContact O-N 3.23Å; F35-T38 WeakPolarHBondContact CA-OG1 3.35Å; F35-T38 PolarHBondContact O-N 2.85Å; F35-T38 PolarHBondContact O-OG1 2.86Å; F35-K39 HydrophobicContact CD2-CD 4.5Å; F35-K39 HydrophobicContact CE1-CB 4.5Å; F35-K39 HydrophobicContact CE1-CD 4.06Å; F35-K39 HydrophobicContact CE2-CD 3.66Å; F35-K39 HydrophobicContact CE2-CG 4.23Å; F35-K39 HydrophobicContact CZ-CD 3.41Å; F35-K39 VanDerWaalsContact CZ-CD 3.41Å; F35-K39 HydrophobicContact CZ-CG 4.2Å; F35-K39 PolarHBondContact O-N 2.59Å
36	W	79.3	Confident	72	Confident	45 Å²	45	86.9 Å²	86.9	17%	0.17	46%	0.459	C	S	.	.	H	α-helix	trans	-66.1	-23	-179.2	69.4	-91.6	0	0	0	113.9	P34 C105 L299 P307 L309	P34-W36 VanDerWaalsContact C-N 3.28Å; P34-W36 PolarHBondContact O-N 2.98Å; P34-W36 VanDerWaalsContact O-N 3.13Å; W36-C105 HydrophobicContact CZ3-CB 4.01Å; W36-L299 HydrophobicContact CH2-CD1 3.87Å; W36-L299 HydrophobicContact CZ2-CD1 4.36Å; W36-P307 HydrophobicContact CB-CG 4.49Å; W36-P307 VanDerWaalsContact CB-O 3.28Å; W36-P307 WeakPolarHBondContact CB-O 3.21Å; W36-P307 HydrophobicContact CD2-CB 3.95Å; W36-P307 HydrophobicContact CD2-CG 3.6Å; W36-P307 HydrophobicContact CE3-CB 4.09Å; W36-P307 HydrophobicContact CE3-CG 4.25Å; W36-P307 HydrophobicContact CG-CB 4.35Å; W36-P307 HydrophobicContact CG-CG 3.69Å; W36-P307 HydrophobicContact CZ2-CG 4.15Å; W36-P307 HydrophobicContact CZ3-CB 4.44Å; W36-L309 HydrophobicContact CE3-CB 3.77Å; W36-L309 HydrophobicContact CZ3-CB 3.85Å
37	I	80.7	Confident	72.9	Confident	9 Å²	9	85.1 Å²	85.1	5%	0.046	44%	0.437	C	S	.	.	H	α-helix	trans	-81.3	-37.4	171.5	-56	-173.7	0	0	0	109.8	L33 P34 F35 H294 P296 L309	L33-I37 HydrophobicContact CD1-CG2 4.24Å; P34-I37 HydrophobicContact CB-CG1 4.45Å; P34-I37 HydrophobicContact CG-CD1 4.31Å; P34-I37 WeakPolarHBondContact O-CB 3.48Å; P34-I37 PolarHBondContact O-N 3.37Å; F35-I37 PolarHBondContact O-N 3.23Å; I37-H294 HydrophobicContact CG2-CB 4.35Å; I37-H294 WeakPolarHBondContact CG2-ND1 3.39Å; I37-P296 HydrophobicContact CD1-CB 4.39Å; I37-L309 HydrophobicContact CG2-CD2 4.41Å
38	T	78.5	Confident	73.8	Confident	67 Å²	67	84.9 Å²	84.9	41%	0.411	43%	0.434	S	S	.	.	H	α-helix	trans	-72.8	-26.8	-179.8	64.9	0	0	0	0	113.7	L33 P34 F35 P40	L33-T38 HydrophobicContact CB-CG2 3.85Å; P34-T38 PolarHBondContact O-N 3.22Å; F35-T38 WeakPolarHBondContact CA-OG1 3.35Å; F35-T38 PolarHBondContact O-N 2.85Å; F35-T38 PolarHBondContact O-OG1 2.86Å; T38-P40 VanDerWaalsContact C-CD 3.45Å; T38-P40 WeakPolarHBondContact O-CD 3.45Å
39	K	82.5	Confident	74.9	Confident	132 Å²	132	83.3 Å²	83.3	57%	0.574	42%	0.421	S	S	*	.	S	Bend	trans	-122.9	72.5	176.7	-61.9	-162.2	-170.5	178.5	0	110.8	F35	F35-K39 HydrophobicContact CD2-CD 4.5Å; F35-K39 HydrophobicContact CE1-CB 4.5Å; F35-K39 HydrophobicContact CE1-CD 4.06Å; F35-K39 HydrophobicContact CE2-CD 3.66Å; F35-K39 HydrophobicContact CE2-CG 4.23Å; F35-K39 HydrophobicContact CZ-CD 3.41Å; F35-K39 VanDerWaalsContact CZ-CD 3.41Å; F35-K39 HydrophobicContact CZ-CG 4.2Å; F35-K39 PolarHBondContact O-N 2.59Å
40	P	86.7	Confident	76.1	Confident	21 Å²	21	79.2 Å²	79.2	14%	0.136	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-77.5	156.4	176	34.6	-35.3	0	0	0	111.5	T38 L42 L309 T311	T38-P40 VanDerWaalsContact C-CD 3.45Å; T38-P40 WeakPolarHBondContact O-CD 3.45Å; P40-L42 HydrophobicContact CG-CD2 4.05Å; P40-L42 PolarHBondContact O-N 3.08Å; P40-L309 CarbonylContact C-O 3.59Å; P40-L309 VanDerWaalsContact CA-O 3.27Å; P40-L309 WeakPolarHBondContact CA-O 3.49Å; P40-L309 HydrophobicContact CB-CB 3.92Å; P40-L309 HydrophobicContact CB-CD2 3.95Å; P40-L309 HydrophobicContact CB-CG 3.81Å; P40-L309 WeakPolarHBondContact CB-O 3.16Å; P40-T311 HydrophobicContact CB-CG2 3.66Å; P40-T311 HydrophobicContact CG-CG2 3.68Å
41	E	88.8	Confident	77.7	Confident	101 Å²	101	73.2 Å²	73.2	47%	0.472	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	117.9	164.2	-68.2	-59.3	154.6	0	0	109.5	I308 L309 F310 T311	E41-I308 HydrophobicContact CG-CD1 3.43Å; E41-I308 VanDerWaalsContact CG-CD1 3.43Å; E41-I308 HydrophobicContact CG-CG1 3.93Å; E41-L309 PolarHBondContact N-O 3.1Å; E41-F310 HydrophobicContact CB-CD1 3.67Å; E41-F310 HydrophobicContact CB-CE1 3.76Å; E41-F310 HydrophobicContact CB-CG 4.26Å; E41-F310 HydrophobicContact CB-CZ 4.42Å; E41-F310 HydrophobicContact CG-CD1 4.47Å; E41-F310 HydrophobicContact CG-CE1 4.12Å; E41-F310 HydrophobicContact CG-CZ 4.38Å; E41-F310 WeakPolarHBondContact O-CA 3.39Å; E41-T311 PolarHBondContact O-N 3.13Å
42	L	87.9	Confident	79.2	Confident	94 Å²	94	67.2 Å²	67.2	49%	0.492	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	133.6	-176.9	-63.4	177	0	0	0	110.9	P40 T311 N313	P40-L42 HydrophobicContact CG-CD2 4.05Å; P40-L42 PolarHBondContact O-N 3.08Å; L42-T311 WeakPolarHBondContact CA-O 3.46Å; L42-T311 HydrophobicContact CD2-CG2 3.43Å; L42-T311 VanDerWaalsContact CD2-CG2 3.43Å; L42-N313 HydrophobicContact CB-CB 4.34Å
43	F	85.8	Confident	80.4	Confident	21 Å²	21	60.7 Å²	60.7	9%	0.092	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	160.4	169.5	60.5	-93.8	0	0	0	110.6	P77 V78 A81 A108 F310 T311 S312 N313	F43-P77 HydrophobicContact CD2-CB 3.79Å; F43-V78 HydrophobicContact CD2-CB 4.37Å; F43-V78 HydrophobicContact CE1-CB 4.48Å; F43-V78 HydrophobicContact CE1-CG2 4.2Å; F43-V78 HydrophobicContact CE2-CB 3.67Å; F43-V78 HydrophobicContact CE2-CG2 4.19Å; F43-V78 HydrophobicContact CZ-CB 3.76Å; F43-V78 HydrophobicContact CZ-CG2 3.73Å; F43-A81 HydrophobicContact CB-CB 3.9Å; F43-A81 HydrophobicContact CD1-CB 4.17Å; F43-A81 HydrophobicContact CG-CB 4.19Å; F43-A108 HydrophobicContact CE2-CB 4.39Å; F43-A108 HydrophobicContact CZ-CB 3.9Å; F43-F310 HydrophobicContact CD1-CB 4.23Å; F43-F310 HydrophobicContact CE1-CB 3.9Å; F43-T311 WeakPolarHBondContact CD1-O 2.85Å; F43-T311 PolarHBondContact N-O 3.17Å; F43-T311 VanDerWaalsContact N-O 3.09Å; F43-S312 VanDerWaalsContact CE2-CB 3.47Å; F43-S312 CarbonylContact O-C 3.52Å; F43-S312 WeakPolarHBondContact O-CA 3.47Å; F43-N313 PolarHBondContact O-N 3.31Å
44	S	81.9	Confident	81.2	Confident	26 Å²	26	64.7 Å²	64.7	18%	0.182	33%	0.329	C	S	.	.			trans	-66.3	146.5	-175.8	-171	0	0	0	0	113.8	D46 Q49 P77	S44-D46 VanDerWaalsContact C-N 3.32Å; S44-D46 PolarHBondContact OG-N 3.33Å; S44-D46 VanDerWaalsContact OG-N 3.12Å; S44-Q49 PolarHBondContact OG-OE1 2.88Å; S44-Q49 VanDerWaalsContact OG-OE1 3.11Å; S44-P77 WeakPolarHBondContact O-CB 3.04Å; S44-P77 WeakPolarHBondContact O-CG 3.28Å
45	S	72.9	Confident	81.8	Confident	30 Å²	30	68.7 Å²	68.7	21%	0.21	34%	0.343	C	S	.	.	S	Bend	trans	-75.7	-22.8	166.5	51.4	0	0	0	0	112.6	L47 S312 E376	S45-L47 PolarHBondContact O-N 2.76Å; S45-S312 WeakPolarHBondContact CA-OG 3.46Å; S45-S312 WeakPolarHBondContact CB-OG 3.47Å; S45-S312 PolarHBondContact N-OG 3.09Å; S45-E376 WeakPolarHBondContact CB-OE1 3.17Å; S45-E376 PolarHBondContact OG-OE1 2.76Å
46	D	75.7	Confident	82.3	Confident	44 Å²	44	62.5 Å²	62.5	24%	0.235	32%	0.317	C	S	.	.			trans	-75.2	116.6	-175.7	-175	4.9	0	0	0	110.6	S44 K48 Q49 P77	S44-D46 VanDerWaalsContact C-N 3.32Å; S44-D46 PolarHBondContact OG-N 3.33Å; S44-D46 VanDerWaalsContact OG-N 3.12Å; D46-K48 PolarHBondContact O-N 3.47Å; D46-K48 VanDerWaalsContact O-N 3.15Å; D46-K48 WeakPolarHBondContact OD1-CB 3.31Å; D46-K48 WeakPolarHBondContact OD1-CG 3.44Å; D46-K48 PolarHBondContact OD1-N 2.71Å; D46-Q49 HydrophobicContact CB-CG 4.48Å; D46-Q49 PolarHBondContact O-N 3.26Å; D46-P77 WeakPolarHBondContact O-CG 3.28Å
47	L	73.9	Confident	82.5	Confident	49 Å²	49	64.6 Å²	64.6	26%	0.257	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-15.4	177.6	-62.9	176	0	0	0	113.1	S45 Q49 F76 G499	S45-L47 PolarHBondContact O-N 2.76Å; L47-Q49 VanDerWaalsContact C-N 3.3Å; L47-F76 HydrophobicContact CB-CD1 4.39Å; L47-F76 HydrophobicContact CD2-CB 4.17Å; L47-F76 HydrophobicContact CD2-CD1 3.78Å; L47-F76 HydrophobicContact CD2-CD2 4.42Å; L47-F76 HydrophobicContact CD2-CE1 4.25Å; L47-F76 HydrophobicContact CD2-CG 3.88Å; L47-G499 VanDerWaalsContact CD1-CA 3.47Å
48	K	72.2	Confident	82.8	Confident	178 Å²	178	67.5 Å²	67.5	77%	0.774	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-24.2	173.3	-60.6	173.6	-178.7	176.5	0	112.8	D46 S50	D46-K48 PolarHBondContact O-N 3.47Å; D46-K48 VanDerWaalsContact O-N 3.15Å; D46-K48 WeakPolarHBondContact OD1-CB 3.31Å; D46-K48 WeakPolarHBondContact OD1-CG 3.44Å; D46-K48 PolarHBondContact OD1-N 2.71Å; K48-S50 PolarHBondContact O-N 3.19Å
49	Q	74.4	Confident	83.4	Confident	124 Å²	124	64.4 Å²	64.4	58%	0.579	34%	0.337	S	S	*	.	S	Bend	trans	-79.5	67.6	173.1	-66.9	-171.8	10.2	0	0	109.3	S44 D46 L47 P77	S44-Q49 PolarHBondContact OG-OE1 2.88Å; S44-Q49 VanDerWaalsContact OG-OE1 3.11Å; D46-Q49 HydrophobicContact CB-CG 4.48Å; D46-Q49 PolarHBondContact O-N 3.26Å; L47-Q49 VanDerWaalsContact C-N 3.3Å; Q49-P77 WeakPolarHBondContact O-CG 3.24Å
50	S	79.7	Confident	83.8	Confident	45 Å²	45	59.2 Å²	59.2	32%	0.315	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-103.4	143.4	-178.2	63.2	0	0	0	0	110.5	K48 F75	K48-S50 PolarHBondContact O-N 3.19Å; S50-F75 WeakPolarHBondContact CA-O 3.4Å; S50-F75 WeakPolarHBondContact CB-O 3.46Å
51	L	86.2	Confident	84.2	Confident	51 Å²	51	64 Å²	64	27%	0.267	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	137.4	175.4	-171.3	115.1	0	0	0	108.2	E55 V56 H74 F75 S80	L51-E55 HydrophobicContact CD1-CB 4.29Å; L51-E55 HydrophobicContact CD2-CB 3.89Å; L51-E55 HydrophobicContact CG-CB 3.9Å; L51-E55 WeakPolarHBondContact CG-OE2 3.44Å; L51-V56 HydrophobicContact CD2-CB 4.4Å; L51-V56 HydrophobicContact CD2-CG2 3.2Å; L51-H74 WeakPolarHBondContact O-CA 3.28Å; L51-F75 PolarHBondContact N-O 2.91Å; L51-F75 PolarHBondContact O-N 3.25Å; L51-S80 VanDerWaalsContact CB-OG 3.27Å; L51-S80 WeakPolarHBondContact CB-OG 3.45Å; L51-S80 PolarHBondContact N-OG 3.17Å
52	S	89.3	Confident	84.4	Confident	26 Å²	26	62.4 Å²	62.4	18%	0.182	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	142	175.6	177.8	0	0	0	0	109.9	N54 E55	S52-N54 PolarHBondContact O-N 2.99Å; S52-N54 VanDerWaalsContact O-N 3.1Å; S52-E55 PolarHBondContact N-OE2 3.33Å; S52-E55 WeakPolarHBondContact O-CB 2.96Å; S52-E55 PolarHBondContact O-N 2.81Å
53	V	89.3	Confident	84.8	Confident	5 Å²	5	57.9 Å²	57.9	3%	0.03	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-56.6	-31.3	178.1	173.2	0	0	0	0	111.5	E55 V56 R64 L67 I72 T73 F75	V53-E55 VanDerWaalsContact C-N 3.33Å; V53-V56 PolarHBondContact O-N 3.15Å; V53-R64 HydrophobicContact CG1-CG 4.22Å; V53-L67 HydrophobicContact CG1-CB 4.47Å; V53-L67 HydrophobicContact CG1-CD1 3.78Å; V53-L67 HydrophobicContact CG2-CD1 4.42Å; V53-I72 HydrophobicContact CG2-CG2 4.39Å; V53-T73 WeakPolarHBondContact CG2-O 3.26Å; V53-T73 PolarHBondContact N-O 2.97Å; V53-T73 VanDerWaalsContact N-O 3.07Å; V53-F75 HydrophobicContact CB-CE2 4.05Å; V53-F75 HydrophobicContact CB-CZ 4.34Å; V53-F75 HydrophobicContact CG1-CE2 4.08Å; V53-F75 HydrophobicContact CG1-CZ 4.09Å; V53-F75 HydrophobicContact CG2-CD1 4.36Å; V53-F75 HydrophobicContact CG2-CD2 4.04Å; V53-F75 HydrophobicContact CG2-CE1 4.07Å; V53-F75 HydrophobicContact CG2-CE2 3.73Å; V53-F75 HydrophobicContact CG2-CG 4.35Å; V53-F75 HydrophobicContact CG2-CZ 3.75Å
54	N	87.8	Confident	85.2	Confident	109 Å²	109	59 Å²	59	58%	0.583	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-73.8	-23.4	179.8	-64.8	-22.3	0	0	0	113.3	S52 V56 R64	S52-N54 PolarHBondContact O-N 2.99Å; S52-N54 VanDerWaalsContact O-N 3.1Å; N54-V56 VanDerWaalsContact C-N 3.28Å; N54-V56 PolarHBondContact O-N 3.28Å; N54-R64 PolarHBondContact O-NH2 2.85Å
55	E	87.8	Confident	85.8	Confident	129 Å²	129	62.8 Å²	62.8	60%	0.603	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-74.4	-21	178.5	-70.6	166.6	-179.9	0	0	111.8	L51 S52 V53 A57	L51-E55 HydrophobicContact CD1-CB 4.29Å; L51-E55 HydrophobicContact CD2-CB 3.89Å; L51-E55 HydrophobicContact CG-CB 3.9Å; L51-E55 WeakPolarHBondContact CG-OE2 3.44Å; S52-E55 PolarHBondContact N-OE2 3.33Å; S52-E55 WeakPolarHBondContact O-CB 2.96Å; S52-E55 PolarHBondContact O-N 2.81Å; V53-E55 VanDerWaalsContact C-N 3.33Å; E55-A57 PolarHBondContact O-N 3.4Å
56	V	87.6	Confident	86.9	Confident	6 Å²	6	63.1 Å²	63.1	4%	0.036	33%	0.327	C	S	.	.			trans	-76.4	96.1	171.3	-168.3	0	0	0	0	109.4	L51 V53 N54 K58 I59 R64 F75 P84	L51-V56 HydrophobicContact CD2-CB 4.4Å; L51-V56 HydrophobicContact CD2-CG2 3.2Å; V53-V56 PolarHBondContact O-N 3.15Å; N54-V56 VanDerWaalsContact C-N 3.28Å; N54-V56 PolarHBondContact O-N 3.28Å; V56-K58 PolarHBondContact O-N 3.11Å; V56-K58 VanDerWaalsContact O-N 3.13Å; V56-I59 HydrophobicContact CB-CD1 3.71Å; V56-I59 HydrophobicContact CB-CG1 3.94Å; V56-I59 HydrophobicContact CG1-CD1 3.81Å; V56-I59 HydrophobicContact CG1-CG1 3.67Å; V56-I59 HydrophobicContact CG2-CD1 4.11Å; V56-I59 PolarHBondContact O-N 2.93Å; V56-R64 PolarHBondContact O-NH2 3.12Å; V56-F75 HydrophobicContact CG2-CD2 3.87Å; V56-F75 HydrophobicContact CG2-CE2 3.75Å; V56-P84 HydrophobicContact CG1-CB 4.48Å; V56-P84 HydrophobicContact CG1-CG 4.1Å; V56-P84 HydrophobicContact CG2-CG 4.37Å
57	A	83.1	Confident	87.9	Confident	89 Å²	89	61 Å²	61	74%	0.736	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-29.3	-175.9	0	0	0	0	0	114.5	E55	E55-A57 PolarHBondContact O-N 3.4Å
58	K	86.1	Confident	88.8	Confident	70 Å²	70	61.6 Å²	61.6	30%	0.304	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	1.2	-173.9	-73.9	171.1	171.6	-172.9	0	114.8	V56 L87 D88 F91 T92	V56-K58 PolarHBondContact O-N 3.11Å; V56-K58 VanDerWaalsContact O-N 3.13Å; K58-L87 HydrophobicContact CB-CB 4.21Å; K58-L87 HydrophobicContact CB-CD1 3.93Å; K58-L87 HydrophobicContact CD-CB 4.44Å; K58-D88 WeakPolarHBondContact CD-OD1 3.43Å; K58-D88 WeakPolarHBondContact CE-OD1 3.4Å; K58-D88 IonicContact NZ-OD1 3.15Å; K58-D88 PolarHBondContact NZ-OD1 3Å; K58-F91 HydrophobicContact CB-CD2 4.04Å; K58-F91 HydrophobicContact CB-CE2 4.11Å; K58-F91 HydrophobicContact CD-CD2 3.98Å; K58-F91 HydrophobicContact CG-CD2 4.11Å; K58-T92 PolarHBondContact NZ-OG1 2.9Å
59	I	92.4	Very high	89.9	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.01	32%	0.317	C	S	.	.	S	Bend	trans	-87.7	124.6	170.9	-61.5	178.8	0	0	0	108.1	V56 L63 R64 F75 I83 L87 V120	V56-I59 HydrophobicContact CB-CD1 3.71Å; V56-I59 HydrophobicContact CB-CG1 3.94Å; V56-I59 HydrophobicContact CG1-CD1 3.81Å; V56-I59 HydrophobicContact CG1-CG1 3.67Å; V56-I59 HydrophobicContact CG2-CD1 4.11Å; V56-I59 PolarHBondContact O-N 2.93Å; I59-L63 HydrophobicContact CG2-CB 3.71Å; I59-R64 HydrophobicContact CG2-CG 3.89Å; I59-R64 VanDerWaalsContact O-CZ 3.31Å; I59-R64 PolarHBondContact O-NE 3.31Å; I59-F75 HydrophobicContact CD1-CE2 3.5Å; I59-F75 VanDerWaalsContact CD1-CE2 3.5Å; I59-F75 HydrophobicContact CD1-CZ 3.57Å; I59-I83 HydrophobicContact CD1-CG2 4.15Å; I59-L87 HydrophobicContact CG1-CD1 4.11Å; I59-V120 HydrophobicContact CD1-CG1 4.11Å
60	G	91.6	Very high	90.8	Very high	24 Å²	24	55.9 Å²	55.9	25%	0.247	30%	0.301	C	S	.	.			trans	-74.6	158.8	179	0	0	0	0	0	112.8	F62 L63 R64	G60-F62 VanDerWaalsContact C-N 3.28Å; G60-F62 PolarHBondContact O-N 2.87Å; G60-L63 PolarHBondContact O-N 3.16Å; G60-R64 PolarHBondContact O-N 3.17Å
61	E	93.4	Very high	91.4	Very high	121 Å²	121	56.6 Å²	56.6	57%	0.565	32%	0.316	S	S	*	.	H	α-helix	trans	-52.9	-41.4	-175.2	-66.2	-53.9	125.9	0	0	113.8	L63 R64 L65	E61-L63 PolarHBondContact O-N 3.31Å; E61-R64 PolarHBondContact O-N 3.18Å; E61-R64 IonicContact OE1-CZ 2.75Å; E61-R64 IonicContact OE1-NH1 3Å; E61-R64 PolarHBondContact OE1-NH1 2.69Å; E61-L65 WeakPolarHBondContact O-CG 3.43Å; E61-L65 PolarHBondContact O-N 3.19Å
62	F	94.3	Very high	91.7	Very high	67 Å²	67	55.7 Å²	55.7	29%	0.294	31%	0.311	S	S	.	.	H	α-helix	trans	-54.1	-50.2	176.9	170.6	-93.2	0	0	0	112.2	G60 L65 R66 L127 N158 T160	G60-F62 VanDerWaalsContact C-N 3.28Å; G60-F62 PolarHBondContact O-N 2.87Å; F62-L65 PolarHBondContact O-N 3.33Å; F62-R66 HydrophobicContact CE1-CB 4.44Å; F62-R66 HydrophobicContact CZ-CB 4.43Å; F62-R66 WeakPolarHBondContact O-CB 3.33Å; F62-R66 PolarHBondContact O-N 3.5Å; F62-L127 HydrophobicContact CD1-CD1 4.17Å; F62-L127 HydrophobicContact CD1-CD2 3.61Å; F62-L127 HydrophobicContact CE1-CD2 3.97Å; F62-L127 HydrophobicContact CG-CD2 4.45Å; F62-N158 WeakPolarHBondContact CZ-O 3.48Å; F62-T160 HydrophobicContact CD1-CG2 3.95Å; F62-T160 HydrophobicContact CD2-CG2 4.47Å; F62-T160 HydrophobicContact CE1-CG2 3.2Å; F62-T160 HydrophobicContact CE2-CG2 3.81Å; F62-T160 HydrophobicContact CZ-CG2 3.13Å
63	L	95.1	Very high	91.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-72	-31.1	-178.3	-86.8	-179.7	0	0	0	112.3	I59 G60 E61 R66 L67 I123 Q124 L127	I59-L63 HydrophobicContact CG2-CB 3.71Å; G60-L63 PolarHBondContact O-N 3.16Å; E61-L63 PolarHBondContact O-N 3.31Å; L63-R66 PolarHBondContact O-N 3.3Å; L63-L67 VanDerWaalsContact O-CB 3.3Å; L63-L67 WeakPolarHBondContact O-CB 3.41Å; L63-L67 WeakPolarHBondContact O-CD1 3.38Å; L63-L67 WeakPolarHBondContact O-CG 3.22Å; L63-L67 PolarHBondContact O-N 3.13Å; L63-I123 HydrophobicContact CD1-CB 4.37Å; L63-I123 HydrophobicContact CD1-CG2 4.16Å; L63-I123 HydrophobicContact CD2-CG2 3.88Å; L63-I123 HydrophobicContact CG-CG2 4.39Å; L63-Q124 HydrophobicContact CD1-CB 3.64Å; L63-Q124 HydrophobicContact CD1-CG 4.49Å; L63-L127 HydrophobicContact CD1-CD1 4.26Å; L63-L127 HydrophobicContact CG-CD1 4.19Å
64	R	95.2	Very high	91.9	Very high	44 Å²	44	62.5 Å²	62.5	17%	0.166	35%	0.345	C	S	.	.	H	α-helix	trans	-61.3	-50.1	173.8	-66.9	-176	170.4	154.8	-5	111.3	V53 N54 V56 I59 G60 E61 R66 L67 S68	V53-R64 HydrophobicContact CG1-CG 4.22Å; N54-R64 PolarHBondContact O-NH2 2.85Å; V56-R64 PolarHBondContact O-NH2 3.12Å; I59-R64 HydrophobicContact CG2-CG 3.89Å; I59-R64 VanDerWaalsContact O-CZ 3.31Å; I59-R64 PolarHBondContact O-NE 3.31Å; G60-R64 PolarHBondContact O-N 3.17Å; E61-R64 PolarHBondContact O-N 3.18Å; E61-R64 IonicContact OE1-CZ 2.75Å; E61-R64 IonicContact OE1-NH1 3Å; E61-R64 PolarHBondContact OE1-NH1 2.69Å; R64-R66 VanDerWaalsContact C-N 3.31Å; R64-R66 PolarHBondContact O-N 2.83Å; R64-L67 PolarHBondContact O-N 3.4Å; R64-S68 PolarHBondContact O-N 3.43Å
65	L	94.7	Very high	92.2	Very high	106 Å²	106	57.3 Å²	57.3	56%	0.555	32%	0.317	S	S	*	.	H	α-helix	trans	-60.9	-42.5	175.3	-67.8	173.9	0	0	0	111	E61 F62 L67 S68 E69	E61-L65 WeakPolarHBondContact O-CG 3.43Å; E61-L65 PolarHBondContact O-N 3.19Å; F62-L65 PolarHBondContact O-N 3.33Å; L65-L67 PolarHBondContact O-N 2.77Å; L65-S68 PolarHBondContact O-N 2.7Å; L65-S68 PolarHBondContact O-OG 3.01Å; L65-E69 WeakPolarHBondContact O-CG 3.18Å; L65-E69 PolarHBondContact O-N 2.86Å
66	R	95.5	Very high	92.4	Very high	36 Å²	36	53.8 Å²	53.8	14%	0.136	30%	0.3	C	S	.	.	H	α-helix	trans	-67.4	-39.6	-178.8	-169.5	61.6	-169.1	154	6.7	113.1	F62 L63 R64 E69 I70 Q155 N158	F62-R66 HydrophobicContact CE1-CB 4.44Å; F62-R66 HydrophobicContact CZ-CB 4.43Å; F62-R66 WeakPolarHBondContact O-CB 3.33Å; F62-R66 PolarHBondContact O-N 3.5Å; L63-R66 PolarHBondContact O-N 3.3Å; R64-R66 VanDerWaalsContact C-N 3.31Å; R64-R66 PolarHBondContact O-N 2.83Å; R66-E69 WeakPolarHBondContact CD-OE2 3.47Å; R66-E69 IonicContact CZ-OE2 3.65Å; R66-E69 IonicContact NE-OE2 2.93Å; R66-E69 IonicContact NH1-OE2 2.62Å; R66-E69 PolarHBondContact NH1-OE2 2.83Å; R66-E69 PolarHBondContact O-N 3.26Å; R66-I70 HydrophobicContact CG-CD1 4.17Å; R66-I70 WeakPolarHBondContact O-CD1 3.26Å; R66-I70 VanDerWaalsContact O-CG1 3.25Å; R66-I70 WeakPolarHBondContact O-CG1 3.48Å; R66-I70 PolarHBondContact O-N 3.03Å; R66-I70 VanDerWaalsContact O-N 3.14Å; R66-Q155 PolarHBondContact NE-O 2.93Å; R66-Q155 PolarHBondContact NH2-O 2.83Å; R66-N158 PolarHBondContact NH2-ND2 3.13Å
67	L	96.1	Very high	92.5	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.5	-41.8	174.9	-74.4	167.6	0	0	0	111	V53 L63 R64 L65 I70 G71 I72 F75 V120 L156	V53-L67 HydrophobicContact CG1-CB 4.47Å; V53-L67 HydrophobicContact CG1-CD1 3.78Å; V53-L67 HydrophobicContact CG2-CD1 4.42Å; L63-L67 VanDerWaalsContact O-CB 3.3Å; L63-L67 WeakPolarHBondContact O-CB 3.41Å; L63-L67 WeakPolarHBondContact O-CD1 3.38Å; L63-L67 WeakPolarHBondContact O-CG 3.22Å; L63-L67 PolarHBondContact O-N 3.13Å; R64-L67 PolarHBondContact O-N 3.4Å; L65-L67 PolarHBondContact O-N 2.77Å; L67-I70 PolarHBondContact O-N 3.01Å; L67-G71 PolarHBondContact O-N 3.02Å; L67-I72 CarbonylContact C-O 3.55Å; L67-I72 HydrophobicContact CB-CB 4.3Å; L67-I72 HydrophobicContact CD2-CB 4.19Å; L67-I72 HydrophobicContact CD2-CD1 3.85Å; L67-I72 HydrophobicContact CD2-CG2 4.21Å; L67-I72 WeakPolarHBondContact O-CA 3.48Å; L67-I72 PolarHBondContact O-N 2.74Å; L67-F75 HydrophobicContact CD1-CE1 4Å; L67-F75 HydrophobicContact CD1-CZ 3.67Å; L67-V120 HydrophobicContact CD1-CG1 4.47Å; L67-V120 HydrophobicContact CD2-CG2 4.21Å; L67-L156 HydrophobicContact CD2-CD2 3.62Å; L67-L156 HydrophobicContact CG-CD2 4.36Å
68	S	93.9	Very high	93	Very high	61 Å²	61	49.8 Å²	49.8	43%	0.427	27%	0.267	S	S	.	.	H	α-helix	trans	-64.9	-39.9	177.3	72.5	0	0	0	0	112.4	R64 L65 I70 G71	R64-S68 PolarHBondContact O-N 3.43Å; L65-S68 PolarHBondContact O-N 2.7Å; L65-S68 PolarHBondContact O-OG 3.01Å; S68-I70 VanDerWaalsContact C-N 3.3Å; S68-I70 PolarHBondContact O-N 2.86Å; S68-G71 WeakPolarHBondContact O-CA 3.4Å; S68-G71 PolarHBondContact O-N 3.27Å
69	E	94.3	Very high	93.4	Very high	131 Å²	131	46.6 Å²	46.6	61%	0.612	25%	0.253	S	S	*	.	H	α-helix	trans	-60.5	-36.5	172.9	-75.4	175.8	-178.7	0	0	113.1	L65 R66 G71	L65-E69 WeakPolarHBondContact O-CG 3.18Å; L65-E69 PolarHBondContact O-N 2.86Å; R66-E69 WeakPolarHBondContact CD-OE2 3.47Å; R66-E69 IonicContact CZ-OE2 3.65Å; R66-E69 IonicContact NE-OE2 2.93Å; R66-E69 IonicContact NH1-OE2 2.62Å; R66-E69 PolarHBondContact NH1-OE2 2.83Å; R66-E69 PolarHBondContact O-N 3.26Å; E69-G71 PolarHBondContact O-N 2.79Å
70	I	93.6	Very high	93.4	Very high	51 Å²	51	47.6 Å²	47.6	26%	0.262	26%	0.26	S	S	.	.	H	α-helix	trans	-74.4	-11.7	175.5	-63.8	162.8	0	0	0	111.1	R66 L67 S68 I72 Q155 L156	R66-I70 HydrophobicContact CG-CD1 4.17Å; R66-I70 WeakPolarHBondContact O-CD1 3.26Å; R66-I70 VanDerWaalsContact O-CG1 3.25Å; R66-I70 WeakPolarHBondContact O-CG1 3.48Å; R66-I70 PolarHBondContact O-N 3.03Å; R66-I70 VanDerWaalsContact O-N 3.14Å; L67-I70 PolarHBondContact O-N 3.01Å; S68-I70 VanDerWaalsContact C-N 3.3Å; S68-I70 PolarHBondContact O-N 2.86Å; I70-I72 HydrophobicContact CB-CD1 4.37Å; I70-I72 HydrophobicContact CG2-CD1 3.79Å; I70-I72 HydrophobicContact CG2-CG1 4.21Å; I70-Q155 HydrophobicContact CD1-CB 3.96Å; I70-L156 HydrophobicContact CD1-CD2 3.86Å; I70-L156 HydrophobicContact CD1-CG 4.5Å
71	G	92.3	Very high	93.5	Very high	60 Å²	60	47.8 Å²	47.8	62%	0.619	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.4	18.6	-177.8	0	0	0	0	0	114	L67 S68 E69	L67-G71 PolarHBondContact O-N 3.02Å; S68-G71 WeakPolarHBondContact O-CA 3.4Å; S68-G71 PolarHBondContact O-N 3.27Å; E69-G71 PolarHBondContact O-N 2.79Å
72	I	92	Very high	93.6	Very high	32 Å²	32	42 Å²	42	16%	0.164	23%	0.232	C	C	.	.			trans	-100.5	100.7	177.5	-58.8	161.6	0	0	0	108.4	V53 L67 I70 L116	V53-I72 HydrophobicContact CG2-CG2 4.39Å; L67-I72 CarbonylContact C-O 3.55Å; L67-I72 HydrophobicContact CB-CB 4.3Å; L67-I72 HydrophobicContact CD2-CB 4.19Å; L67-I72 HydrophobicContact CD2-CD1 3.85Å; L67-I72 HydrophobicContact CD2-CG2 4.21Å; L67-I72 WeakPolarHBondContact O-CA 3.48Å; L67-I72 PolarHBondContact O-N 2.74Å; I70-I72 HydrophobicContact CB-CD1 4.37Å; I70-I72 HydrophobicContact CG2-CD1 3.79Å; I70-I72 HydrophobicContact CG2-CG1 4.21Å; I72-L116 HydrophobicContact CD1-CD1 3.6Å; I72-L116 HydrophobicContact CD1-CD2 4.43Å
73	T	90.4	Very high	93.6	Very high	78 Å²	78	38.9 Å²	38.9	48%	0.479	22%	0.218	S	C	.	.			trans	-102.4	-22.5	176.4	53.4	0	0	0	0	113	V53	V53-T73 WeakPolarHBondContact CG2-O 3.26Å; V53-T73 PolarHBondContact N-O 2.97Å; V53-T73 VanDerWaalsContact N-O 3.07Å
74	H	92.5	Very high	93.6	Very high	97 Å²	97	40.5 Å²	40.5	45%	0.449	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	140.5	-178.7	-61.5	75	0	0	0	110.2	L51	L51-H74 WeakPolarHBondContact O-CA 3.28Å
75	F	93.7	Very high	93.5	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	135.7	174.1	-72.7	-50.8	0	0	0	111	S50 L51 V53 V56 I59 L67 Q79 S80 I83 V120	S50-F75 WeakPolarHBondContact CA-O 3.4Å; S50-F75 WeakPolarHBondContact CB-O 3.46Å; L51-F75 PolarHBondContact N-O 2.91Å; L51-F75 PolarHBondContact O-N 3.25Å; V53-F75 HydrophobicContact CB-CE2 4.05Å; V53-F75 HydrophobicContact CB-CZ 4.34Å; V53-F75 HydrophobicContact CG1-CE2 4.08Å; V53-F75 HydrophobicContact CG1-CZ 4.09Å; V53-F75 HydrophobicContact CG2-CD1 4.36Å; V53-F75 HydrophobicContact CG2-CD2 4.04Å; V53-F75 HydrophobicContact CG2-CE1 4.07Å; V53-F75 HydrophobicContact CG2-CE2 3.73Å; V53-F75 HydrophobicContact CG2-CG 4.35Å; V53-F75 HydrophobicContact CG2-CZ 3.75Å; V56-F75 HydrophobicContact CG2-CD2 3.87Å; V56-F75 HydrophobicContact CG2-CE2 3.75Å; I59-F75 HydrophobicContact CD1-CE2 3.5Å; I59-F75 VanDerWaalsContact CD1-CE2 3.5Å; I59-F75 HydrophobicContact CD1-CZ 3.57Å; L67-F75 HydrophobicContact CD1-CE1 4Å; L67-F75 HydrophobicContact CD1-CZ 3.67Å; F75-Q79 HydrophobicContact CB-CB 3.81Å; F75-Q79 HydrophobicContact CD1-CB 3.96Å; F75-Q79 HydrophobicContact CG-CB 4.12Å; F75-S80 WeakPolarHBondContact CB-OG 3.3Å; F75-S80 PolarHBondContact O-OG 2.92Å; F75-I83 HydrophobicContact CD1-CD1 3.91Å; F75-I83 HydrophobicContact CE1-CD1 3.72Å; F75-I83 HydrophobicContact CE2-CD1 4.35Å; F75-I83 HydrophobicContact CG-CD1 4.31Å; F75-I83 HydrophobicContact CZ-CD1 3.95Å; F75-V120 HydrophobicContact CE1-CG2 4.45Å; F75-V120 HydrophobicContact CZ-CG1 4.39Å
76	F	91.8	Very high	93.4	Very high	54 Å²	54	36 Å²	36	24%	0.237	21%	0.205	C	C	.	.			trans	-64.7	156.1	169.4	-68.9	-32.1	0	0	0	111	L47 V78 Q79 S80 S112 A498	L47-F76 HydrophobicContact CB-CD1 4.39Å; L47-F76 HydrophobicContact CD2-CB 4.17Å; L47-F76 HydrophobicContact CD2-CD1 3.78Å; L47-F76 HydrophobicContact CD2-CD2 4.42Å; L47-F76 HydrophobicContact CD2-CE1 4.25Å; L47-F76 HydrophobicContact CD2-CG 3.88Å; F76-V78 VanDerWaalsContact C-N 3.26Å; F76-V78 PolarHBondContact O-N 2.73Å; F76-Q79 WeakPolarHBondContact O-CA 3.45Å; F76-Q79 VanDerWaalsContact O-CB 3.29Å; F76-Q79 WeakPolarHBondContact O-CB 3.42Å; F76-Q79 PolarHBondContact O-N 2.95Å; F76-S80 PolarHBondContact O-N 3.12Å; F76-S80 PolarHBondContact O-OG 3.13Å; F76-S112 VanDerWaalsContact CD2-O 3.3Å; F76-S112 WeakPolarHBondContact CD2-O 3.39Å; F76-A498 HydrophobicContact CE2-CB 4.19Å; F76-A498 HydrophobicContact CZ-CB 3.9Å
77	P	91.3	Very high	93.3	Very high	10 Å²	10	34.2 Å²	34.2	7%	0.065	20%	0.198	C	C	.	.	H	α-helix	trans	-47.3	-43.1	-175.2	-30.4	31.3	0	0	0	115.3	F43 S44 D46 Q49 Q79 S80 A81	F43-P77 HydrophobicContact CD2-CB 3.79Å; S44-P77 WeakPolarHBondContact O-CB 3.04Å; S44-P77 WeakPolarHBondContact O-CG 3.28Å; D46-P77 WeakPolarHBondContact O-CG 3.28Å; Q49-P77 WeakPolarHBondContact O-CG 3.24Å; P77-Q79 VanDerWaalsContact C-N 3.32Å; P77-Q79 PolarHBondContact O-N 2.86Å; P77-S80 PolarHBondContact O-N 3.2Å; P77-A81 WeakPolarHBondContact O-CB 3.25Å; P77-A81 PolarHBondContact O-N 3.04Å
78	V	92	Very high	93	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-64.4	-36.7	177.9	67.3	0	0	0	0	112.4	F43 F76 V82 I106 A108 S112	F43-V78 HydrophobicContact CD2-CB 4.37Å; F43-V78 HydrophobicContact CE1-CB 4.48Å; F43-V78 HydrophobicContact CE1-CG2 4.2Å; F43-V78 HydrophobicContact CE2-CB 3.67Å; F43-V78 HydrophobicContact CE2-CG2 4.19Å; F43-V78 HydrophobicContact CZ-CB 3.76Å; F43-V78 HydrophobicContact CZ-CG2 3.73Å; F76-V78 VanDerWaalsContact C-N 3.26Å; F76-V78 PolarHBondContact O-N 2.73Å; V78-V82 HydrophobicContact CG2-CG2 4.31Å; V78-V82 VanDerWaalsContact O-CB 3.27Å; V78-V82 WeakPolarHBondContact O-CB 3.45Å; V78-V82 WeakPolarHBondContact O-CG2 3.32Å; V78-V82 PolarHBondContact O-N 3.28Å; V78-I106 HydrophobicContact CG2-CG2 3.45Å; V78-I106 VanDerWaalsContact CG2-CG2 3.45Å; V78-A108 HydrophobicContact CB-CB 4.19Å; V78-A108 HydrophobicContact CG2-CB 3.91Å; V78-S112 WeakPolarHBondContact CG1-O 3.24Å
79	Q	94.9	Very high	92.6	Very high	4 Å²	4	36 Å²	36	2%	0.019	21%	0.205	C	C	.	.	H	α-helix	trans	-71.8	-44.8	177.2	-64.6	161.1	-1.2	0	0	109.8	F75 F76 P77 A81 V82 I83 G113 L116 A117	F75-Q79 HydrophobicContact CB-CB 3.81Å; F75-Q79 HydrophobicContact CD1-CB 3.96Å; F75-Q79 HydrophobicContact CG-CB 4.12Å; F76-Q79 WeakPolarHBondContact O-CA 3.45Å; F76-Q79 VanDerWaalsContact O-CB 3.29Å; F76-Q79 WeakPolarHBondContact O-CB 3.42Å; F76-Q79 PolarHBondContact O-N 2.95Å; P77-Q79 VanDerWaalsContact C-N 3.32Å; P77-Q79 PolarHBondContact O-N 2.86Å; Q79-A81 VanDerWaalsContact C-N 3.26Å; Q79-A81 PolarHBondContact O-N 3.18Å; Q79-V82 PolarHBondContact O-N 2.89Å; Q79-I83 HydrophobicContact CB-CD1 3.74Å; Q79-I83 HydrophobicContact CB-CG1 4.37Å; Q79-I83 HydrophobicContact CG-CD1 4.42Å; Q79-I83 VanDerWaalsContact O-CB 3.23Å; Q79-I83 WeakPolarHBondContact O-CB 3.43Å; Q79-I83 WeakPolarHBondContact O-CG1 3.34Å; Q79-I83 PolarHBondContact O-N 3.47Å; Q79-G113 PolarHBondContact NE2-O 2.79Å; Q79-L116 HydrophobicContact CG-CB 4.36Å; Q79-A117 HydrophobicContact CG-CB 3.98Å
80	S	93.4	Very high	92.2	Very high	23 Å²	23	32.1 Å²	32.1	16%	0.161	19%	0.185	C	C	.	.	H	α-helix	trans	-60.3	-34.3	177	-51.4	0	0	0	0	112.9	L51 F75 F76 P77 P84	L51-S80 VanDerWaalsContact CB-OG 3.27Å; L51-S80 WeakPolarHBondContact CB-OG 3.45Å; L51-S80 PolarHBondContact N-OG 3.17Å; F75-S80 WeakPolarHBondContact CB-OG 3.3Å; F75-S80 PolarHBondContact O-OG 2.92Å; F76-S80 PolarHBondContact O-N 3.12Å; F76-S80 PolarHBondContact O-OG 3.13Å; P77-S80 PolarHBondContact O-N 3.2Å; S80-P84 WeakPolarHBondContact O-CD 3.39Å; S80-P84 VanDerWaalsContact O-CG 3.25Å; S80-P84 WeakPolarHBondContact O-CG 3.18Å
81	A	92.8	Very high	91.6	Very high	27 Å²	27	33.6 Å²	33.6	22%	0.223	19%	0.19	C	C	.	.	H	α-helix	trans	-78.6	-46.4	176.7	0	0	0	0	0	112.6	F43 P77 Q79 F310	F43-A81 HydrophobicContact CB-CB 3.9Å; F43-A81 HydrophobicContact CD1-CB 4.17Å; F43-A81 HydrophobicContact CG-CB 4.19Å; P77-A81 WeakPolarHBondContact O-CB 3.25Å; P77-A81 PolarHBondContact O-N 3.04Å; Q79-A81 VanDerWaalsContact C-N 3.26Å; Q79-A81 PolarHBondContact O-N 3.18Å; A81-F310 HydrophobicContact CB-CD1 4.08Å; A81-F310 HydrophobicContact CB-CE1 4.28Å
82	V	95.2	Very high	90.6	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	19%	0.189	C	C	.	.	H	α-helix	trans	-83	-40.1	-169.6	174	0	0	0	0	112.6	V78 Q79 Y85 M86 I106 A117 F310	V78-V82 HydrophobicContact CG2-CG2 4.31Å; V78-V82 VanDerWaalsContact O-CB 3.27Å; V78-V82 WeakPolarHBondContact O-CB 3.45Å; V78-V82 WeakPolarHBondContact O-CG2 3.32Å; V78-V82 PolarHBondContact O-N 3.28Å; Q79-V82 PolarHBondContact O-N 2.89Å; V82-Y85 PolarHBondContact O-N 2.71Å; V82-M86 WeakPolarHBondContact O-CB 3.09Å; V82-M86 PolarHBondContact O-N 3.23Å; V82-I106 HydrophobicContact CB-CD1 4.41Å; V82-I106 HydrophobicContact CG1-CD1 3.8Å; V82-I106 HydrophobicContact CG2-CD1 3.91Å; V82-I106 HydrophobicContact CG2-CG1 4.1Å; V82-A117 HydrophobicContact CB-CB 4.33Å; V82-A117 HydrophobicContact CG1-CB 4.46Å; V82-F310 HydrophobicContact CG2-CB 4.17Å; V82-F310 HydrophobicContact CG2-CD1 4.12Å; V82-F310 HydrophobicContact CG2-CD2 4.13Å; V82-F310 HydrophobicContact CG2-CG 3.87Å
83	I	96.1	Very high	89.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.3	-52.3	-172.8	-62.4	173	0	0	0	111.4	I59 F75 Q79 Y85 M86 L87 V120 P121	I59-I83 HydrophobicContact CD1-CG2 4.15Å; F75-I83 HydrophobicContact CD1-CD1 3.91Å; F75-I83 HydrophobicContact CE1-CD1 3.72Å; F75-I83 HydrophobicContact CE2-CD1 4.35Å; F75-I83 HydrophobicContact CG-CD1 4.31Å; F75-I83 HydrophobicContact CZ-CD1 3.95Å; Q79-I83 HydrophobicContact CB-CD1 3.74Å; Q79-I83 HydrophobicContact CB-CG1 4.37Å; Q79-I83 HydrophobicContact CG-CD1 4.42Å; Q79-I83 VanDerWaalsContact O-CB 3.23Å; Q79-I83 WeakPolarHBondContact O-CB 3.43Å; Q79-I83 WeakPolarHBondContact O-CG1 3.34Å; Q79-I83 PolarHBondContact O-N 3.47Å; I83-Y85 PolarHBondContact O-N 3.32Å; I83-M86 PolarHBondContact O-N 3.43Å; I83-L87 HydrophobicContact CG2-CD1 4.08Å; I83-L87 WeakPolarHBondContact O-CG 3.38Å; I83-L87 PolarHBondContact O-N 3.18Å; I83-L87 VanDerWaalsContact O-N 3.07Å; I83-V120 HydrophobicContact CD1-CB 3.98Å; I83-V120 HydrophobicContact CD1-CG1 4.14Å; I83-V120 HydrophobicContact CD1-CG2 4.37Å; I83-V120 HydrophobicContact CG2-CG1 4.2Å; I83-P121 HydrophobicContact CG1-CG 4.46Å; I83-P121 HydrophobicContact CG2-CB 4.5Å
84	P	93.5	Very high	87.1	Confident	34 Å²	34	41.3 Å²	41.3	22%	0.221	21%	0.212	C	C	.	.	H	α-helix	trans	-62.1	-45.9	179.5	-20.1	33.7	0	0	0	111.3	V56 S80 M86 L87 D88	V56-P84 HydrophobicContact CG1-CB 4.48Å; V56-P84 HydrophobicContact CG1-CG 4.1Å; V56-P84 HydrophobicContact CG2-CG 4.37Å; S80-P84 WeakPolarHBondContact O-CD 3.39Å; S80-P84 VanDerWaalsContact O-CG 3.25Å; S80-P84 WeakPolarHBondContact O-CG 3.18Å; P84-M86 VanDerWaalsContact C-N 3.34Å; P84-M86 PolarHBondContact O-N 2.71Å; P84-L87 PolarHBondContact O-N 3.14Å; P84-D88 WeakPolarHBondContact O-CB 3.24Å; P84-D88 PolarHBondContact O-N 3.05Å
85	Y	93.3	Very high	85	Confident	55 Å²	55	43.6 Å²	43.6	22%	0.216	22%	0.222	C	C	.	.	H	α-helix	trans	-56.7	-46.4	178.8	177.2	-91.7	0	0	0	112.5	V82 I83 D88 C89 R102 I104 I308 F310	V82-Y85 PolarHBondContact O-N 2.71Å; I83-Y85 PolarHBondContact O-N 3.32Å; Y85-D88 PolarHBondContact O-N 3.12Å; Y85-C89 PolarHBondContact O-N 3.06Å; Y85-C89 VanDerWaalsContact O-N 3.16Å; Y85-C89 PolarHBondContact O-SG 3.1Å; Y85-R102 WeakPolarHBondContact OH-CD 3.41Å; Y85-R102 PolarHBondContact OH-NH1 3.45Å; Y85-I104 HydrophobicContact CD1-CD1 3.98Å; Y85-I104 HydrophobicContact CE1-CD1 3.97Å; Y85-I104 HydrophobicContact CE1-CG1 4.19Å; Y85-I308 HydrophobicContact CE1-CD1 4.42Å; Y85-I308 HydrophobicContact CE1-CG2 3.97Å; Y85-I308 HydrophobicContact CE2-CD1 3.91Å; Y85-F310 AromaticContact CD1-CE2 3.84Å; Y85-F310 HydrophobicContact CD1-CE2 3.84Å; Y85-F310 AromaticContact CD1-CZ 3.68Å; Y85-F310 HydrophobicContact CD1-CZ 3.68Å; Y85-F310 HydrophobicContact CD2-CZ 4.02Å; Y85-F310 HydrophobicContact CE1-CE2 4.07Å; Y85-F310 HydrophobicContact CE1-CZ 4.17Å; Y85-F310 HydrophobicContact CE2-CZ 4.47Å; Y85-F310 HydrophobicContact CG-CE2 4.25Å; Y85-F310 AromaticContact CG-CZ 3.6Å; Y85-F310 HydrophobicContact CG-CZ 3.6Å
86	M	93.4	Very high	82.7	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-45	179.3	-175.2	174.7	168.6	0	0	110.9	V82 I83 P84 D88 C89 Y90 I104 P121 I122 L125 I219 I286	V82-M86 WeakPolarHBondContact O-CB 3.09Å; V82-M86 PolarHBondContact O-N 3.23Å; I83-M86 PolarHBondContact O-N 3.43Å; P84-M86 VanDerWaalsContact C-N 3.34Å; P84-M86 PolarHBondContact O-N 2.71Å; M86-D88 VanDerWaalsContact C-N 3.32Å; M86-D88 PolarHBondContact O-N 2.86Å; M86-C89 WeakPolarHBondContact O-CB 3.46Å; M86-C89 PolarHBondContact O-N 2.8Å; M86-Y90 HydrophobicContact CE-CE2 4.31Å; M86-Y90 HydrophobicContact CG-CE2 4.4Å; M86-Y90 VanDerWaalsContact O-CD2 3.28Å; M86-Y90 WeakPolarHBondContact O-CD2 3.44Å; M86-I104 HydrophobicContact CB-CD1 4.28Å; M86-I104 HydrophobicContact CG-CD1 4.4Å; M86-P121 HydrophobicContact CB-CB 4.17Å; M86-P121 HydrophobicContact CB-CG 4.31Å; M86-P121 HydrophobicContact CE-CB 4.32Å; M86-P121 HydrophobicContact CE-CG 4.33Å; M86-P121 HydrophobicContact CG-CB 4.03Å; M86-P121 HydrophobicContact CG-CG 4.24Å; M86-P121 HydrophobicContact SD-CB 3.73Å; M86-P121 HydrophobicContact SD-CG 3.41Å; M86-P121 WeakPolarHBondContact SD-CG 3.15Å; M86-I122 HydrophobicContact CE-CG1 3.88Å; M86-L125 HydrophobicContact CE-CD1 4.22Å; M86-I219 HydrophobicContact CE-CD1 3.79Å; M86-I219 HydrophobicContact CE-CG2 4.42Å; M86-I286 HydrophobicContact CE-CD1 3.6Å; M86-I286 HydrophobicContact SD-CD1 3.64Å
87	L	92.6	Very high	80.6	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.7	-37.3	176.8	-68.1	-179.6	0	0	0	112.3	K58 I59 I83 P84 C89 Y90 F91 P121 Q124 L125	K58-L87 HydrophobicContact CB-CB 4.21Å; K58-L87 HydrophobicContact CB-CD1 3.93Å; K58-L87 HydrophobicContact CD-CB 4.44Å; I59-L87 HydrophobicContact CG1-CD1 4.11Å; I83-L87 HydrophobicContact CG2-CD1 4.08Å; I83-L87 WeakPolarHBondContact O-CG 3.38Å; I83-L87 PolarHBondContact O-N 3.18Å; I83-L87 VanDerWaalsContact O-N 3.07Å; P84-L87 PolarHBondContact O-N 3.14Å; L87-C89 VanDerWaalsContact C-N 3.32Å; L87-C89 PolarHBondContact O-N 3.31Å; L87-Y90 PolarHBondContact O-N 3.21Å; L87-Y90 VanDerWaalsContact O-N 3.15Å; L87-F91 HydrophobicContact CB-CD2 3.92Å; L87-F91 HydrophobicContact CB-CE2 3.99Å; L87-F91 HydrophobicContact CD1-CE2 4.43Å; L87-F91 HydrophobicContact CD2-CE2 3.83Å; L87-F91 HydrophobicContact CD2-CZ 4.49Å; L87-F91 HydrophobicContact CG-CE2 4.29Å; L87-F91 WeakPolarHBondContact O-CD2 3.48Å; L87-F91 PolarHBondContact O-N 3.27Å; L87-P121 HydrophobicContact CD2-CB 3.7Å; L87-P121 HydrophobicContact CG-CB 3.96Å; L87-Q124 HydrophobicContact CD1-CG 4.17Å; L87-Q124 HydrophobicContact CD2-CB 3.97Å; L87-Q124 HydrophobicContact CD2-CG 3.8Å; L87-L125 HydrophobicContact CD2-CD2 4.27Å; L87-L125 HydrophobicContact CD2-CG 4.18Å
88	D	89.5	Confident	78.9	Confident	66 Å²	66	58.1 Å²	58.1	35%	0.353	29%	0.29	S	S	.	.	H	α-helix	trans	-60.4	-41.3	177.2	-72.2	-7.3	0	0	0	112.2	K58 P84 Y85 M86 Y90 T92	K58-D88 WeakPolarHBondContact CD-OD1 3.43Å; K58-D88 WeakPolarHBondContact CE-OD1 3.4Å; K58-D88 IonicContact NZ-OD1 3.15Å; K58-D88 PolarHBondContact NZ-OD1 3Å; P84-D88 WeakPolarHBondContact O-CB 3.24Å; P84-D88 PolarHBondContact O-N 3.05Å; Y85-D88 PolarHBondContact O-N 3.12Å; M86-D88 VanDerWaalsContact C-N 3.32Å; M86-D88 PolarHBondContact O-N 2.86Å; D88-Y90 PolarHBondContact O-N 3.33Å; D88-T92 VanDerWaalsContact O-CB 3.25Å; D88-T92 WeakPolarHBondContact O-CB 3.22Å; D88-T92 PolarHBondContact O-N 3.28Å; D88-T92 PolarHBondContact O-OG1 2.75Å; D88-T92 VanDerWaalsContact O-OG1 3.08Å
89	C	86.6	Confident	77.5	Confident	31 Å²	31	60.9 Å²	60.9	21%	0.209	31%	0.308	C	S	.	.	H	α-helix	trans	-56.8	-33.8	176.8	-66.7	0	0	0	0	112.5	Y85 M86 L87 S93 P101	Y85-C89 PolarHBondContact O-N 3.06Å; Y85-C89 VanDerWaalsContact O-N 3.16Å; Y85-C89 PolarHBondContact O-SG 3.1Å; M86-C89 WeakPolarHBondContact O-CB 3.46Å; M86-C89 PolarHBondContact O-N 2.8Å; L87-C89 VanDerWaalsContact C-N 3.32Å; L87-C89 PolarHBondContact O-N 3.31Å; C89-S93 PolarHBondContact O-OG 2.86Å; C89-P101 HydrophobicContact CB-CB 4.02Å
90	Y	85.2	Confident	76.7	Confident	51 Å²	51	61.7 Å²	61.7	20%	0.2	31%	0.311	C	S	.	.	H	α-helix	trans	-94.5	-37.7	-177.7	-72.6	-82.2	0	0	0	113.8	M86 L87 D88 P101 L125 I219 Q284	M86-Y90 HydrophobicContact CE-CE2 4.31Å; M86-Y90 HydrophobicContact CG-CE2 4.4Å; M86-Y90 VanDerWaalsContact O-CD2 3.28Å; M86-Y90 WeakPolarHBondContact O-CD2 3.44Å; L87-Y90 PolarHBondContact O-N 3.21Å; L87-Y90 VanDerWaalsContact O-N 3.15Å; D88-Y90 PolarHBondContact O-N 3.33Å; Y90-P101 HydrophobicContact CE1-CG 4.34Å; Y90-L125 VanDerWaalsContact CB-CD2 3.43Å; Y90-L125 HydrophobicContact CD1-CD1 4.41Å; Y90-L125 HydrophobicContact CD1-CD2 4.36Å; Y90-L125 HydrophobicContact CD2-CD1 3.47Å; Y90-L125 VanDerWaalsContact CD2-CD1 3.47Å; Y90-L125 HydrophobicContact CD2-CD2 3.97Å; Y90-L125 HydrophobicContact CD2-CG 4.37Å; Y90-L125 HydrophobicContact CE2-CD1 3.64Å; Y90-L125 HydrophobicContact CG-CD1 3.9Å; Y90-L125 HydrophobicContact CG-CD2 3.68Å; Y90-L125 HydrophobicContact CG-CG 4.46Å; Y90-I219 WeakPolarHBondContact OH-CG1 3.21Å; Y90-Q284 VanDerWaalsContact CE2-OE1 3.27Å; Y90-Q284 WeakPolarHBondContact OH-CB 3.31Å; Y90-Q284 PolarHBondContact OH-OE1 2.99Å
91	F	81.9	Confident	76.3	Confident	82 Å²	82	61.1 Å²	61.1	36%	0.36	31%	0.307	S	S	.	.	H	α-helix	trans	-86	-31	-175	-68.8	-48.1	0	0	0	114.4	K58 L87 S93 Q124 L125	K58-F91 HydrophobicContact CB-CD2 4.04Å; K58-F91 HydrophobicContact CB-CE2 4.11Å; K58-F91 HydrophobicContact CD-CD2 3.98Å; K58-F91 HydrophobicContact CG-CD2 4.11Å; L87-F91 HydrophobicContact CB-CD2 3.92Å; L87-F91 HydrophobicContact CB-CE2 3.99Å; L87-F91 HydrophobicContact CD1-CE2 4.43Å; L87-F91 HydrophobicContact CD2-CE2 3.83Å; L87-F91 HydrophobicContact CD2-CZ 4.49Å; L87-F91 HydrophobicContact CG-CE2 4.29Å; L87-F91 WeakPolarHBondContact O-CD2 3.48Å; L87-F91 PolarHBondContact O-N 3.27Å; F91-S93 PolarHBondContact O-N 3.04Å; F91-Q124 HydrophobicContact CE2-CG 4.3Å; F91-Q124 HydrophobicContact CZ-CG 4.19Å; F91-L125 HydrophobicContact CE1-CD2 4.46Å; F91-L125 HydrophobicContact CZ-CD2 4.33Å
92	T	69.9	Low	76.1	Confident	98 Å²	98	62.9 Å²	62.9	60%	0.601	31%	0.308	S	S	*	.	S	Bend	trans	-71.7	-13.9	178.9	-53.6	0	0	0	0	111.8	K58 D88 K94	K58-T92 PolarHBondContact NZ-OG1 2.9Å; D88-T92 VanDerWaalsContact O-CB 3.25Å; D88-T92 WeakPolarHBondContact O-CB 3.22Å; D88-T92 PolarHBondContact O-N 3.28Å; D88-T92 PolarHBondContact O-OG1 2.75Å; D88-T92 VanDerWaalsContact O-OG1 3.08Å; T92-K94 PolarHBondContact O-N 3.12Å
93	S	60.8	Low	76	Confident	40 Å²	40	62.9 Å²	62.9	28%	0.28	31%	0.307	S	S	.	.			trans	-71	59.2	167	-61.5	0	0	0	0	111.3	C89 F91 H95	C89-S93 PolarHBondContact O-OG 2.86Å; F91-S93 PolarHBondContact O-N 3.04Å; S93-H95 CarbonylContact C-O 3.57Å; S93-H95 PolarHBondContact O-N 3.14Å
94	K	48.7	Very low	76	Confident	193 Å²	193	62.9 Å²	62.9	84%	0.839	31%	0.308	S	S	*	.			trans	-61.4	-23.8	174	-77.2	-172.9	176.9	-179.1	0	112.1	T92	T92-K94 PolarHBondContact O-N 3.12Å
95	H	49.2	Very low	76	Confident	146 Å²	146	61.3 Å²	61.3	68%	0.676	30%	0.297	S	S	*	.	S	Bend	trans	-95.9	121.7	165.7	-56.2	-71.5	0	0	0	107.9	S93 L98	S93-H95 CarbonylContact C-O 3.57Å; S93-H95 PolarHBondContact O-N 3.14Å; H95-L98 HydrophobicContact CB-CD1 3.28Å
96	R	45.2	Very low	75.9	Confident	225 Å²	225	58.7 Å²	58.7	85%	0.849	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-25.7	148.3	176.4	-69.6	-168.4	179	-167.1	2.8	114.9	L98	R96-L98 WeakPolarHBondContact O-CA 3.47Å; R96-L98 VanDerWaalsContact O-CD1 3.26Å; R96-L98 WeakPolarHBondContact O-CD1 3.45Å; R96-L98 VanDerWaalsContact O-CG 3.28Å; R96-L98 WeakPolarHBondContact O-CG 3.33Å; R96-L98 PolarHBondContact O-N 2.87Å
97	P	46.7	Very low	75.7	Confident	88 Å²	88	59 Å²	59	57%	0.571	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	80.2	-141.1	35.3	-35	0	0	0	112.8
98	L	55.1	Low	75.3	Confident	56 Å²	56	59 Å²	59	29%	0.293	29%	0.289	S	S	.	.			trans	-83.6	-16.8	-168.5	-98.2	135.1	0	0	0	112.9	H95 R96	H95-L98 HydrophobicContact CB-CD1 3.28Å; R96-L98 WeakPolarHBondContact O-CA 3.47Å; R96-L98 VanDerWaalsContact O-CD1 3.26Å; R96-L98 WeakPolarHBondContact O-CD1 3.45Å; R96-L98 VanDerWaalsContact O-CG 3.28Å; R96-L98 WeakPolarHBondContact O-CG 3.33Å; R96-L98 PolarHBondContact O-N 2.87Å
99	C	64.5	Low	74.9	Confident	58 Å²	58	56.7 Å²	56.7	39%	0.392	28%	0.278	S	S	.	.	S	Bend	trans	-133	121.9	-179.9	-63.8	0	0	0	0	109.5
100	R	77.7	Confident	74.5	Confident	22 Å²	22	55.8 Å²	55.8	8%	0.083	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-57.5	125.2	165	175.5	171.5	-173.1	149.6	-1.9	108.6	T282 L283 Y305	R100-T282 HydrophobicContact CB-CG2 3.89Å; R100-T282 HydrophobicContact CG-CG2 4.16Å; R100-L283 PolarHBondContact NE-O 2.94Å; R100-L283 PolarHBondContact NH2-O 3.41Å; R100-Y305 HydrophobicContact CB-CD1 4.48Å; R100-Y305 HydrophobicContact CB-CE1 3.72Å; R100-Y305 HydrophobicContact CG-CD1 3.76Å; R100-Y305 HydrophobicContact CG-CE1 3.5Å; R100-Y305 VanDerWaalsContact CG-CE1 3.5Å
101	P	85.2	Confident	74.1	Confident	10 Å²	10	54.6 Å²	54.6	7%	0.065	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-63.3	146.8	177.7	29.2	-37.5	0	0	0	110.2	C89 Y90 Q284	C89-P101 HydrophobicContact CB-CB 4.02Å; Y90-P101 HydrophobicContact CE1-CG 4.34Å; P101-Q284 HydrophobicContact CB-CB 4.49Å; P101-Q284 HydrophobicContact CB-CG 4.1Å; P101-Q284 HydrophobicContact CG-CB 3.74Å; P101-Q284 HydrophobicContact CG-CG 3.89Å
102	R	88.7	Confident	74.1	Confident	65 Å²	65	51.1 Å²	51.1	25%	0.245	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-62.4	143.4	175.4	-69.1	-177.7	62.9	-161.8	8.6	110.5	Y85 Q284 F306 P307 I308	Y85-R102 WeakPolarHBondContact OH-CD 3.41Å; Y85-R102 PolarHBondContact OH-NH1 3.45Å; R102-Q284 WeakPolarHBondContact O-CG 3.15Å; R102-Q284 PolarHBondContact O-NE2 3.19Å; R102-F306 WeakPolarHBondContact CB-O 3.35Å; R102-F306 VanDerWaalsContact CD-CD1 3.48Å; R102-F306 HydrophobicContact CG-CB 4.41Å; R102-F306 HydrophobicContact CG-CD1 3.63Å; R102-F306 HydrophobicContact CG-CE1 4.4Å; R102-F306 HydrophobicContact CG-CG 4.42Å; R102-F306 WeakPolarHBondContact CG-O 3.28Å; R102-F306 PolarHBondContact NE-O 3.01Å; R102-P307 PolarHBondContact NH2-O 2.96Å; R102-I308 VanDerWaalsContact CZ-CB 3.48Å; R102-I308 VanDerWaalsContact NH1-CD1 3.31Å; R102-I308 VanDerWaalsContact NH2-CB 3.34Å
103	D	93.2	Very high	74.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-70.2	144.3	169.3	-69.6	-14	0	0	0	109.9	K285 L304 Y305 P307 I308	D103-K285 CarbonylContact C-O 3.49Å; D103-K285 VanDerWaalsContact CA-O 3.24Å; D103-K285 WeakPolarHBondContact CA-O 3.29Å; D103-K285 HydrophobicContact CB-CB 4.2Å; D103-K285 WeakPolarHBondContact CB-O 3.42Å; D103-K285 PolarHBondContact OD1-N 3.35Å; D103-K285 WeakPolarHBondContact OD2-CD 3.37Å; D103-L304 HydrophobicContact CB-CB 4.37Å; D103-L304 HydrophobicContact CB-CD2 4.35Å; D103-L304 WeakPolarHBondContact OD2-CA 3.38Å; D103-Y305 WeakPolarHBondContact CB-O 3.35Å; D103-Y305 PolarHBondContact N-O 2.93Å; D103-Y305 PolarHBondContact OD2-N 3.06Å; D103-P307 CarbonylContact O-C 3.47Å; D103-P307 VanDerWaalsContact O-CA 3.24Å; D103-P307 WeakPolarHBondContact O-CA 3.49Å; D103-I308 PolarHBondContact O-N 2.64Å
104	I	94.6	Very high	76.4	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.1	-172	-59.3	178.4	0	0	0	109	Y85 M86 I106 K285 I286 L287 I308 F310	Y85-I104 HydrophobicContact CD1-CD1 3.98Å; Y85-I104 HydrophobicContact CE1-CD1 3.97Å; Y85-I104 HydrophobicContact CE1-CG1 4.19Å; M86-I104 HydrophobicContact CB-CD1 4.28Å; M86-I104 HydrophobicContact CG-CD1 4.4Å; I104-I106 HydrophobicContact CG2-CD1 4.33Å; I104-I106 HydrophobicContact CG2-CG1 3.81Å; I104-K285 PolarHBondContact N-O 2.96Å; I104-I286 HydrophobicContact CB-CG1 4.34Å; I104-I286 HydrophobicContact CB-CG2 4.3Å; I104-I286 HydrophobicContact CG2-CG2 4.49Å; I104-I286 CarbonylContact O-C 3.5Å; I104-I286 VanDerWaalsContact O-CA 3.25Å; I104-I286 WeakPolarHBondContact O-CA 3.45Å; I104-L287 PolarHBondContact O-N 3.09Å; I104-I308 HydrophobicContact CB-CG2 4.33Å; I104-I308 HydrophobicContact CG1-CG2 3.98Å; I104-I308 HydrophobicContact CG2-CG2 4.36Å; I104-F310 HydrophobicContact CG2-CD2 3.78Å; I104-F310 HydrophobicContact CG2-CE2 4Å
105	C	93	Very high	78.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129.7	167.9	-69.6	0	0	0	0	108.8	W36 L287 L292 I308 L309 F310	W36-C105 HydrophobicContact CZ3-CB 4.01Å; C105-L287 CarbonylContact C-O 3.25Å; C105-L287 WeakPolarHBondContact CA-O 3.37Å; C105-L292 HydrophobicContact CB-CD2 3.83Å; C105-I308 PolarHBondContact N-O 2.89Å; C105-L309 HydrophobicContact CB-CD1 3.8Å; C105-L309 CarbonylContact O-C 3.56Å; C105-L309 WeakPolarHBondContact O-CA 3.46Å; C105-F310 PolarHBondContact O-N 2.98Å
106	I	92.2	Very high	80.8	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	115	-179.7	-53.5	175.9	0	0	0	108.5	V78 V82 I104 A108 I286 L287 V288 S289	V78-I106 HydrophobicContact CG2-CG2 3.45Å; V78-I106 VanDerWaalsContact CG2-CG2 3.45Å; V82-I106 HydrophobicContact CB-CD1 4.41Å; V82-I106 HydrophobicContact CG1-CD1 3.8Å; V82-I106 HydrophobicContact CG2-CD1 3.91Å; V82-I106 HydrophobicContact CG2-CG1 4.1Å; I104-I106 HydrophobicContact CG2-CD1 4.33Å; I104-I106 HydrophobicContact CG2-CG1 3.81Å; I106-A108 HydrophobicContact CG2-CB 4.42Å; I106-I286 HydrophobicContact CD1-CG2 4.22Å; I106-L287 PolarHBondContact N-O 2.96Å; I106-V288 HydrophobicContact CB-CG1 4.45Å; I106-V288 HydrophobicContact CB-CG2 4.45Å; I106-V288 HydrophobicContact CD1-CG2 4.08Å; I106-S289 PolarHBondContact O-N 3.46Å; I106-S289 VanDerWaalsContact O-O 3.07Å
107	C	88.6	Confident	83.2	Confident	8 Å²	8	21.8 Å²	21.8	5%	0.054	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	103.1	171.6	-167.5	0	0	0	0	109.5	S289 L292 L309 F310 T311 S312	C107-S289 WeakPolarHBondContact CA-O 3.38Å; C107-L292 HydrophobicContact CB-CB 4.17Å; C107-L309 HydrophobicContact CB-CD1 4.16Å; C107-F310 PolarHBondContact N-O 3.32Å; C107-T311 WeakPolarHBondContact O-CA 3.34Å; C107-S312 PolarHBondContact O-N 3.07Å
108	A	85.1	Confident	85.6	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.105	C	C	.	.			trans	-146.3	145.2	179.2	0	0	0	0	0	111.4	F43 V78 I106 S112 K114 S289 A290	F43-A108 HydrophobicContact CE2-CB 4.39Å; F43-A108 HydrophobicContact CZ-CB 3.9Å; V78-A108 HydrophobicContact CB-CB 4.19Å; V78-A108 HydrophobicContact CG2-CB 3.91Å; I106-A108 HydrophobicContact CG2-CB 4.42Å; A108-S112 WeakPolarHBondContact CB-OG 3.42Å; A108-K114 HydrophobicContact CB-CD 3.97Å; A108-K114 HydrophobicContact CB-CG 4.03Å; A108-K114 WeakPolarHBondContact O-CD 3.49Å; A108-K114 PolarHBondContact O-NZ 3.28Å; A108-S289 PolarHBondContact N-O 3.4Å; A108-A290 WeakPolarHBondContact O-CA 3.44Å; A108-A290 WeakPolarHBondContact O-CB 3.44Å
109	P	80.7	Confident	87.7	Confident	17 Å²	17	15 Å²	15	11%	0.11	9%	0.091	C	C	.	.			trans	-56.6	159	-175.9	22.2	-32.3	0	0	0	112.8	G111 S112 K114 M373	P109-G111 PolarHBondContact O-N 2.95Å; P109-S112 WeakPolarHBondContact O-CB 3.41Å; P109-S112 PolarHBondContact O-N 3.04Å; P109-S112 PolarHBondContact O-OG 2.65Å; P109-K114 PolarHBondContact O-NZ 3.24Å; P109-M373 HydrophobicContact CB-CB 4.28Å
110	T	79.4	Confident	89.2	Confident	11 Å²	11	12.2 Å²	12.2	7%	0.067	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	138.6	172.6	48.1	0	0	0	0	110.6	S112 A290 G493	T110-S112 VanDerWaalsContact C-N 3.33Å; T110-A290 HydrophobicContact CG2-CB 3.82Å; T110-G493 WeakPolarHBondContact CB-O 3.43Å; T110-G493 WeakPolarHBondContact OG1-CA 3.34Å; T110-G493 PolarHBondContact OG1-O 3.24Å
111	G	76.5	Confident	90.1	Very high	26 Å²	26	11.1 Å²	11.1	27%	0.268	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	5.4	-178.8	0	0	0	0	0	115.3	P109 G113 A498	P109-G111 PolarHBondContact O-N 2.95Å; G111-G113 PolarHBondContact O-N 3.26Å; G111-A498 PolarHBondContact O-N 3.05Å
112	S	81.9	Confident	90.7	Very high	9 Å²	9	10.7 Å²	10.7	6%	0.063	7%	0.066	C	C	.	.	S	Bend	trans	-79.5	5.3	171.4	65.5	0	0	0	0	114.2	F76 V78 A108 P109 T110 K114	F76-S112 VanDerWaalsContact CD2-O 3.3Å; F76-S112 WeakPolarHBondContact CD2-O 3.39Å; V78-S112 WeakPolarHBondContact CG1-O 3.24Å; A108-S112 WeakPolarHBondContact CB-OG 3.42Å; P109-S112 WeakPolarHBondContact O-CB 3.41Å; P109-S112 PolarHBondContact O-N 3.04Å; P109-S112 PolarHBondContact O-OG 2.65Å; T110-S112 VanDerWaalsContact C-N 3.33Å; S112-K114 WeakPolarHBondContact OG-CG 3.37Å
113	G	86.7	Confident	91.1	Very high	21 Å²	21	7.6 Å²	7.6	22%	0.216	5%	0.054	C	C	.	.			trans	75.5	29.9	178.4	0	0	0	0	0	115.3	Q79 G111 T115 L116	Q79-G113 PolarHBondContact NE2-O 2.79Å; G111-G113 PolarHBondContact O-N 3.26Å; G113-T115 VanDerWaalsContact C-N 3.25Å; G113-T115 PolarHBondContact O-N 2.9Å; G113-L116 PolarHBondContact O-N 2.68Å; G113-L116 VanDerWaalsContact O-N 3.16Å
114	K	91.1	Very high	91.2	Very high	18 Å²	18	8.4 Å²	8.4	8%	0.078	6%	0.058	C	C	.	.	H	α-helix	trans	-51.8	-37.5	179.8	-62.2	-169.4	-69.8	-80.2	0	114.6	A108 P109 S112 L116 A117 Y118 V288	A108-K114 HydrophobicContact CB-CD 3.97Å; A108-K114 HydrophobicContact CB-CG 4.03Å; A108-K114 WeakPolarHBondContact O-CD 3.49Å; A108-K114 PolarHBondContact O-NZ 3.28Å; P109-K114 PolarHBondContact O-NZ 3.24Å; S112-K114 WeakPolarHBondContact OG-CG 3.37Å; K114-L116 VanDerWaalsContact C-N 3.3Å; K114-L116 PolarHBondContact O-N 3.05Å; K114-A117 VanDerWaalsContact O-CB 3.26Å; K114-A117 WeakPolarHBondContact O-CB 3.28Å; K114-A117 PolarHBondContact O-N 2.77Å; K114-Y118 VanDerWaalsContact O-CD1 3.28Å; K114-Y118 WeakPolarHBondContact O-CD1 3.35Å; K114-V288 HydrophobicContact CB-CG1 3.71Å; K114-V288 HydrophobicContact CD-CG1 3.55Å; K114-V288 HydrophobicContact CG-CG1 4.17Å
115	T	94.6	Very high	91.2	Very high	21 Å²	21	10 Å²	10	13%	0.129	7%	0.066	C	C	.	.	H	α-helix	trans	-56.3	-44	179.5	-52.3	0	0	0	0	112.2	G113 A117 Y118 A119 V149 T152	G113-T115 VanDerWaalsContact C-N 3.25Å; G113-T115 PolarHBondContact O-N 2.9Å; T115-A117 VanDerWaalsContact C-N 3.31Å; T115-A117 PolarHBondContact O-N 3.17Å; T115-Y118 VanDerWaalsContact CA-CE1 3.45Å; T115-A119 WeakPolarHBondContact O-CB 3.28Å; T115-A119 PolarHBondContact O-N 2.86Å; T115-V149 HydrophobicContact CG2-CG1 4.33Å; T115-V149 HydrophobicContact CG2-CG2 4.19Å; T115-T152 HydrophobicContact CG2-CG2 3.9Å
116	L	95.7	Very high	91.3	Very high	27 Å²	27	10.4 Å²	10.4	14%	0.141	7%	0.068	C	C	.	.	H	α-helix	trans	-70.2	-28.8	177.9	-68.2	172.5	0	0	0	112.5	I72 Q79 G113 K114 Y118 A119 V120 T152 L156	I72-L116 HydrophobicContact CD1-CD1 3.6Å; I72-L116 HydrophobicContact CD1-CD2 4.43Å; Q79-L116 HydrophobicContact CG-CB 4.36Å; G113-L116 PolarHBondContact O-N 2.68Å; G113-L116 VanDerWaalsContact O-N 3.16Å; K114-L116 VanDerWaalsContact C-N 3.3Å; K114-L116 PolarHBondContact O-N 3.05Å; L116-Y118 PolarHBondContact O-N 2.77Å; L116-A119 PolarHBondContact O-N 2.88Å; L116-V120 HydrophobicContact CB-CG2 4.29Å; L116-V120 HydrophobicContact CD2-CG2 4.26Å; L116-V120 WeakPolarHBondContact O-CB 3.27Å; L116-V120 WeakPolarHBondContact O-CG2 3.02Å; L116-V120 PolarHBondContact O-N 3.29Å; L116-T152 HydrophobicContact CD2-CG2 3.62Å; L116-T152 HydrophobicContact CG-CG2 4.36Å; L116-L156 HydrophobicContact CD2-CD1 3.79Å; L116-L156 HydrophobicContact CD2-CD2 4.39Å; L116-L156 HydrophobicContact CD2-CG 4.43Å
117	A	95.8	Very high	91.4	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-60.7	-31	-178.7	0	0	0	0	0	112.6	Q79 V82 K114 T115 P121	Q79-A117 HydrophobicContact CG-CB 3.98Å; V82-A117 HydrophobicContact CB-CB 4.33Å; V82-A117 HydrophobicContact CG1-CB 4.46Å; K114-A117 VanDerWaalsContact O-CB 3.26Å; K114-A117 WeakPolarHBondContact O-CB 3.28Å; K114-A117 PolarHBondContact O-N 2.77Å; T115-A117 VanDerWaalsContact C-N 3.31Å; T115-A117 PolarHBondContact O-N 3.17Å; A117-P121 WeakPolarHBondContact O-CD 3.41Å; A117-P121 WeakPolarHBondContact O-CG 3.22Å
118	Y	97.7	Very high	91.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-102.6	-30.8	171.2	64.9	-100.3	0	0	0	113.3	K114 T115 L116 P121 I122 I138 F153 V221 V288	K114-Y118 VanDerWaalsContact O-CD1 3.28Å; K114-Y118 WeakPolarHBondContact O-CD1 3.35Å; T115-Y118 VanDerWaalsContact CA-CE1 3.45Å; L116-Y118 PolarHBondContact O-N 2.77Å; Y118-P121 WeakPolarHBondContact O-CD 3.32Å; Y118-P121 WeakPolarHBondContact O-CG 3.44Å; Y118-I122 HydrophobicContact CD2-CD1 4.03Å; Y118-I122 WeakPolarHBondContact O-CB 3.48Å; Y118-I122 VanDerWaalsContact O-CD1 3.25Å; Y118-I122 WeakPolarHBondContact O-CD1 3.44Å; Y118-I122 WeakPolarHBondContact O-CG1 3.49Å; Y118-I122 PolarHBondContact O-N 2.93Å; Y118-I138 HydrophobicContact CE2-CG1 4.2Å; Y118-I138 HydrophobicContact CE2-CG2 4.28Å; Y118-F153 HydrophobicContact CD2-CE2 4.43Å; Y118-F153 HydrophobicContact CD2-CZ 4.11Å; Y118-F153 AromaticContact CE2-CE2 3.78Å; Y118-F153 HydrophobicContact CE2-CE2 3.78Å; Y118-F153 AromaticContact CE2-CZ 3.89Å; Y118-F153 HydrophobicContact CE2-CZ 3.89Å; Y118-V221 HydrophobicContact CD1-CG1 4.03Å; Y118-V221 HydrophobicContact CD2-CB 4.41Å; Y118-V221 HydrophobicContact CD2-CG1 3.91Å; Y118-V221 HydrophobicContact CD2-CG2 3.89Å; Y118-V221 HydrophobicContact CE1-CG1 4.04Å; Y118-V221 HydrophobicContact CE2-CG1 3.94Å; Y118-V221 HydrophobicContact CE2-CG2 4.43Å; Y118-V221 HydrophobicContact CG-CG1 3.96Å; Y118-V221 HydrophobicContact CG-CG2 4.27Å; Y118-V288 HydrophobicContact CD1-CG2 3.95Å; Y118-V288 HydrophobicContact CE1-CG2 4.24Å
119	A	98	Very high	91.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-67.5	-42.7	-176.8	0	0	0	0	0	113.1	T115 L116 I122 I123 F153 L156	T115-A119 WeakPolarHBondContact O-CB 3.28Å; T115-A119 PolarHBondContact O-N 2.86Å; L116-A119 PolarHBondContact O-N 2.88Å; A119-I122 PolarHBondContact O-N 3.42Å; A119-I123 WeakPolarHBondContact O-CG1 3.33Å; A119-I123 PolarHBondContact O-N 3.21Å; A119-F153 HydrophobicContact CB-CD1 4.32Å; A119-F153 HydrophobicContact CB-CD2 4.22Å; A119-F153 HydrophobicContact CB-CE1 3.8Å; A119-F153 HydrophobicContact CB-CE2 3.71Å; A119-F153 HydrophobicContact CB-CZ 3.48Å; A119-F153 VanDerWaalsContact CB-CZ 3.48Å; A119-L156 HydrophobicContact CB-CD1 3.89Å
120	V	97.6	Very high	91.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59	-54.1	179.4	172.8	0	0	0	0	111.8	I59 L67 F75 I83 L116 I122 I123 Q124 L156	I59-V120 HydrophobicContact CD1-CG1 4.11Å; L67-V120 HydrophobicContact CD1-CG1 4.47Å; L67-V120 HydrophobicContact CD2-CG2 4.21Å; F75-V120 HydrophobicContact CE1-CG2 4.45Å; F75-V120 HydrophobicContact CZ-CG1 4.39Å; I83-V120 HydrophobicContact CD1-CB 3.98Å; I83-V120 HydrophobicContact CD1-CG1 4.14Å; I83-V120 HydrophobicContact CD1-CG2 4.37Å; I83-V120 HydrophobicContact CG2-CG1 4.2Å; L116-V120 HydrophobicContact CB-CG2 4.29Å; L116-V120 HydrophobicContact CD2-CG2 4.26Å; L116-V120 WeakPolarHBondContact O-CB 3.27Å; L116-V120 WeakPolarHBondContact O-CG2 3.02Å; L116-V120 PolarHBondContact O-N 3.29Å; V120-I122 VanDerWaalsContact C-N 3.34Å; V120-I122 PolarHBondContact O-N 2.8Å; V120-I123 PolarHBondContact O-N 2.86Å; V120-Q124 WeakPolarHBondContact O-CB 3.36Å; V120-Q124 PolarHBondContact O-N 3.02Å; V120-L156 HydrophobicContact CG2-CD1 4.25Å
121	P	96.8	Very high	92.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.9	-35.5	-179.8	23.3	-33.4	0	0	0	112.4	I83 M86 L87 A117 Y118 I123 Q124 L125	I83-P121 HydrophobicContact CG1-CG 4.46Å; I83-P121 HydrophobicContact CG2-CB 4.5Å; M86-P121 HydrophobicContact CB-CB 4.17Å; M86-P121 HydrophobicContact CB-CG 4.31Å; M86-P121 HydrophobicContact CE-CB 4.32Å; M86-P121 HydrophobicContact CE-CG 4.33Å; M86-P121 HydrophobicContact CG-CB 4.03Å; M86-P121 HydrophobicContact CG-CG 4.24Å; M86-P121 HydrophobicContact SD-CB 3.73Å; M86-P121 HydrophobicContact SD-CG 3.41Å; M86-P121 WeakPolarHBondContact SD-CG 3.15Å; L87-P121 HydrophobicContact CD2-CB 3.7Å; L87-P121 HydrophobicContact CG-CB 3.96Å; A117-P121 WeakPolarHBondContact O-CD 3.41Å; A117-P121 WeakPolarHBondContact O-CG 3.22Å; Y118-P121 WeakPolarHBondContact O-CD 3.32Å; Y118-P121 WeakPolarHBondContact O-CG 3.44Å; P121-I123 VanDerWaalsContact C-N 3.34Å; P121-I123 PolarHBondContact O-N 2.8Å; P121-Q124 PolarHBondContact O-N 3.41Å; P121-L125 WeakPolarHBondContact O-CB 3.36Å; P121-L125 WeakPolarHBondContact O-CG 3.37Å; P121-L125 PolarHBondContact O-N 2.76Å
122	I	97.3	Very high	93.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.4	-47.1	175.2	-71.6	168.6	0	0	0	111.2	M86 Y118 A119 V120 L125 F126 A136 F153 I194 I219 V221	M86-I122 HydrophobicContact CE-CG1 3.88Å; Y118-I122 HydrophobicContact CD2-CD1 4.03Å; Y118-I122 WeakPolarHBondContact O-CB 3.48Å; Y118-I122 VanDerWaalsContact O-CD1 3.25Å; Y118-I122 WeakPolarHBondContact O-CD1 3.44Å; Y118-I122 WeakPolarHBondContact O-CG1 3.49Å; Y118-I122 PolarHBondContact O-N 2.93Å; A119-I122 PolarHBondContact O-N 3.42Å; V120-I122 VanDerWaalsContact C-N 3.34Å; V120-I122 PolarHBondContact O-N 2.8Å; I122-L125 PolarHBondContact O-N 3.24Å; I122-F126 HydrophobicContact CG2-CD2 4.15Å; I122-F126 HydrophobicContact CG2-CE2 3.79Å; I122-F126 HydrophobicContact CG2-CZ 4.16Å; I122-F126 WeakPolarHBondContact O-CG 3.48Å; I122-F126 PolarHBondContact O-N 3.2Å; I122-A136 HydrophobicContact CG2-CB 3.84Å; I122-F153 HydrophobicContact CB-CE1 4.45Å; I122-F153 HydrophobicContact CD1-CZ 4.33Å; I122-F153 HydrophobicContact CG2-CE1 4.19Å; I122-I194 HydrophobicContact CG2-CD1 3.93Å; I122-I194 HydrophobicContact CG2-CG1 4.5Å; I122-I219 HydrophobicContact CD1-CG2 4Å; I122-I219 HydrophobicContact CG1-CD1 3.9Å; I122-I219 HydrophobicContact CG1-CG2 4.18Å; I122-V221 HydrophobicContact CD1-CG2 3.79Å
123	I	97.4	Very high	93.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.7	-43.6	-179.1	-65.6	169.1	0	0	0	110.2	L63 A119 V120 P121 L125 F126 L127 F153 L156 V157 I162 I194	L63-I123 HydrophobicContact CD1-CB 4.37Å; L63-I123 HydrophobicContact CD1-CG2 4.16Å; L63-I123 HydrophobicContact CD2-CG2 3.88Å; L63-I123 HydrophobicContact CG-CG2 4.39Å; A119-I123 WeakPolarHBondContact O-CG1 3.33Å; A119-I123 PolarHBondContact O-N 3.21Å; V120-I123 PolarHBondContact O-N 2.86Å; P121-I123 VanDerWaalsContact C-N 3.34Å; P121-I123 PolarHBondContact O-N 2.8Å; I123-L125 PolarHBondContact O-N 2.87Å; I123-F126 CarbonylContact O-C 3.56Å; I123-F126 PolarHBondContact O-N 3.34Å; I123-L127 HydrophobicContact CG2-CD2 4.3Å; I123-L127 WeakPolarHBondContact O-CG 3.3Å; I123-L127 PolarHBondContact O-N 3.16Å; I123-F153 HydrophobicContact CD1-CD1 3.9Å; I123-F153 HydrophobicContact CD1-CE1 4.39Å; I123-F153 HydrophobicContact CG1-CD1 4.12Å; I123-F153 HydrophobicContact CG1-CE1 4.31Å; I123-L156 HydrophobicContact CD1-CB 3.17Å; I123-L156 HydrophobicContact CD1-CD1 3.68Å; I123-L156 HydrophobicContact CD1-CG 4.08Å; I123-V157 HydrophobicContact CD1-CG1 3.68Å; I123-V157 HydrophobicContact CG1-CG1 3.9Å; I123-V157 HydrophobicContact CG2-CG1 4.24Å; I123-I162 HydrophobicContact CG2-CD1 4.06Å; I123-I194 HydrophobicContact CG1-CD1 4.33Å
124	Q	95.8	Very high	94.1	Very high	17 Å²	17	35.9 Å²	35.9	8%	0.079	18%	0.178	C	C	.	.	H	α-helix	trans	-54.9	-40.8	176.1	-179.4	58.4	57.7	0	0	112	L63 L87 F91 V120 P121 F126	L63-Q124 HydrophobicContact CD1-CB 3.64Å; L63-Q124 HydrophobicContact CD1-CG 4.49Å; L87-Q124 HydrophobicContact CD1-CG 4.17Å; L87-Q124 HydrophobicContact CD2-CB 3.97Å; L87-Q124 HydrophobicContact CD2-CG 3.8Å; F91-Q124 HydrophobicContact CE2-CG 4.3Å; F91-Q124 HydrophobicContact CZ-CG 4.19Å; V120-Q124 WeakPolarHBondContact O-CB 3.36Å; V120-Q124 PolarHBondContact O-N 3.02Å; P121-Q124 PolarHBondContact O-N 3.41Å; Q124-F126 VanDerWaalsContact C-N 3.25Å; Q124-F126 PolarHBondContact O-N 3.45Å
125	L	93.3	Very high	94.3	Very high	36 Å²	36	36.9 Å²	36.9	19%	0.188	18%	0.181	C	C	.	.	H	α-helix	trans	-68.8	-23.6	177.5	-68.4	169.2	0	0	0	113.1	M86 L87 Y90 F91 P121 I122 I123 I219	M86-L125 HydrophobicContact CE-CD1 4.22Å; L87-L125 HydrophobicContact CD2-CD2 4.27Å; L87-L125 HydrophobicContact CD2-CG 4.18Å; Y90-L125 VanDerWaalsContact CB-CD2 3.43Å; Y90-L125 HydrophobicContact CD1-CD1 4.41Å; Y90-L125 HydrophobicContact CD1-CD2 4.36Å; Y90-L125 HydrophobicContact CD2-CD1 3.47Å; Y90-L125 VanDerWaalsContact CD2-CD1 3.47Å; Y90-L125 HydrophobicContact CD2-CD2 3.97Å; Y90-L125 HydrophobicContact CD2-CG 4.37Å; Y90-L125 HydrophobicContact CE2-CD1 3.64Å; Y90-L125 HydrophobicContact CG-CD1 3.9Å; Y90-L125 HydrophobicContact CG-CD2 3.68Å; Y90-L125 HydrophobicContact CG-CG 4.46Å; F91-L125 HydrophobicContact CE1-CD2 4.46Å; F91-L125 HydrophobicContact CZ-CD2 4.33Å; P121-L125 WeakPolarHBondContact O-CB 3.36Å; P121-L125 WeakPolarHBondContact O-CG 3.37Å; P121-L125 PolarHBondContact O-N 2.76Å; I122-L125 PolarHBondContact O-N 3.24Å; I123-L125 PolarHBondContact O-N 2.87Å; L125-I219 HydrophobicContact CD1-CD1 4.02Å
126	F	94.9	Very high	94.4	Very high	7 Å²	7	35.9 Å²	35.9	3%	0.031	18%	0.175	C	C	.	.	H	α-helix	trans	-100.6	-10.2	-175.3	-65.9	-2.3	0	0	0	113.8	I122 I123 Q124 N128 R129 R135 A136 I162 I194 I219	I122-F126 HydrophobicContact CG2-CD2 4.15Å; I122-F126 HydrophobicContact CG2-CE2 3.79Å; I122-F126 HydrophobicContact CG2-CZ 4.16Å; I122-F126 WeakPolarHBondContact O-CG 3.48Å; I122-F126 PolarHBondContact O-N 3.2Å; I123-F126 CarbonylContact O-C 3.56Å; I123-F126 PolarHBondContact O-N 3.34Å; Q124-F126 VanDerWaalsContact C-N 3.25Å; Q124-F126 PolarHBondContact O-N 3.45Å; F126-N128 PolarHBondContact O-N 3.34Å; F126-N128 VanDerWaalsContact O-N 3.13Å; F126-R129 WeakPolarHBondContact O-CB 3.43Å; F126-R129 VanDerWaalsContact O-CG 3.25Å; F126-R129 WeakPolarHBondContact O-CG 3.49Å; F126-R129 PolarHBondContact O-N 2.89Å; F126-R135 HydrophobicContact CE1-CB 3.79Å; F126-R135 HydrophobicContact CE2-CB 3.68Å; F126-R135 HydrophobicContact CZ-CB 3.25Å; F126-R135 HydrophobicContact CZ-CG 4.44Å; F126-A136 HydrophobicContact CE2-CB 3.73Å; F126-A136 HydrophobicContact CZ-CB 3.93Å; F126-I162 HydrophobicContact CB-CD1 3.89Å; F126-I162 HydrophobicContact CB-CG1 4.47Å; F126-I194 HydrophobicContact CD2-CD1 4.15Å; F126-I194 HydrophobicContact CD2-CG1 3.99Å; F126-I194 HydrophobicContact CE2-CD1 4.38Å; F126-I194 HydrophobicContact CE2-CG1 3.93Å; F126-I219 HydrophobicContact CZ-CD1 4.39Å
127	L	93.9	Very high	94.6	Very high	44 Å²	44	34.6 Å²	34.6	23%	0.23	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-37.3	177.9	-70	177.4	0	0	0	113.1	F62 L63 I123 T160 I162	F62-L127 HydrophobicContact CD1-CD1 4.17Å; F62-L127 HydrophobicContact CD1-CD2 3.61Å; F62-L127 HydrophobicContact CE1-CD2 3.97Å; F62-L127 HydrophobicContact CG-CD2 4.45Å; L63-L127 HydrophobicContact CD1-CD1 4.26Å; L63-L127 HydrophobicContact CG-CD1 4.19Å; I123-L127 HydrophobicContact CG2-CD2 4.3Å; I123-L127 WeakPolarHBondContact O-CG 3.3Å; I123-L127 PolarHBondContact O-N 3.16Å; L127-T160 HydrophobicContact CD2-CG2 3.74Å; L127-I162 HydrophobicContact CD2-CD1 4.1Å
128	N	88	Confident	94.7	Very high	148 Å²	148	34.6 Å²	34.6	79%	0.791	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	23.1	-177.4	-62.5	-19.8	0	0	0	113.5	F126	F126-N128 PolarHBondContact O-N 3.34Å; F126-N128 VanDerWaalsContact O-N 3.13Å
129	R	89.9	Confident	94.7	Very high	36 Å²	36	34.6 Å²	34.6	14%	0.136	17%	0.168	C	C	.	.			trans	-69.9	141.6	179.3	70	159.9	-177.8	60.9	-7.2	111.6	F126 R132 D161 D193	F126-R129 WeakPolarHBondContact O-CB 3.43Å; F126-R129 VanDerWaalsContact O-CG 3.25Å; F126-R129 WeakPolarHBondContact O-CG 3.49Å; F126-R129 PolarHBondContact O-N 2.89Å; R129-R132 VanDerWaalsContact NH2-NH2 3.14Å; R129-D161 IonicContact CZ-OD2 3.6Å; R129-D161 IonicContact NH1-OD2 2.77Å; R129-D161 PolarHBondContact NH1-OD2 3.19Å; R129-D161 VanDerWaalsContact NH1-OD2 3.1Å; R129-D161 PolarHBondContact NH2-O 3.15Å; R129-D161 IonicContact NH2-OD2 3.31Å; R129-D161 PolarHBondContact NH2-OD2 3.43Å; R129-D193 WeakPolarHBondContact CD-OD1 3.28Å; R129-D193 IonicContact CZ-OD1 2.76Å; R129-D193 IonicContact CZ-OD2 2.71Å; R129-D193 VanDerWaalsContact CZ-OD2 3.25Å; R129-D193 IonicContact NE-OD1 3.63Å; R129-D193 PolarHBondContact NE-OD1 2.92Å; R129-D193 IonicContact NE-OD2 3.88Å; R129-D193 PolarHBondContact NE-OD2 2.93Å; R129-D193 IonicContact NH2-OD1 3.63Å; R129-D193 IonicContact NH2-OD2 2.64Å; R129-D193 PolarHBondContact NH2-OD2 3.17Å
130	V	87.4	Confident	94.5	Very high	118 Å²	118	34.6 Å²	34.6	72%	0.715	17%	0.168	S	C	*	.	S	Bend	trans	-91.1	-48.3	172.7	-177.3	0	0	0	0	111.8
131	H	89.2	Confident	94.1	Very high	120 Å²	120	35.4 Å²	35.4	56%	0.556	17%	0.174	S	C	*	.	S	Bend	trans	-111.3	142.8	-178.2	-57.2	-67.2	0	0	0	112.3	F133 R135	H131-F133 HydrophobicContact CB-CD2 3.84Å; H131-F133 HydrophobicContact CB-CE2 3.44Å; H131-F133 VanDerWaalsContact CB-CE2 3.44Å; H131-F133 HydrophobicContact CB-CZ 4.29Å; H131-R135 PolarHBondContact O-NH2 3.08Å
132	R	92.8	Very high	93.7	Very high	77 Å²	77	36.3 Å²	36.3	29%	0.291	18%	0.179	S	C	.	.			trans	-81.2	119.2	176.6	-175.6	172.6	-84.1	134.6	-3.6	110.7	R129 D161 V190 K191 D193	R129-R132 VanDerWaalsContact NH2-NH2 3.14Å; R132-D161 IonicContact CZ-OD1 2.78Å; R132-D161 IonicContact CZ-OD2 2.88Å; R132-D161 PolarHBondContact NH2-O 3.07Å; R132-D161 IonicContact NH2-OD1 3.56Å; R132-D161 PolarHBondContact NH2-OD1 2.68Å; R132-D161 IonicContact NH2-OD2 2.82Å; R132-D161 PolarHBondContact NH2-OD2 2.82Å; R132-V190 VanDerWaalsContact CD-O 3.29Å; R132-V190 WeakPolarHBondContact CD-O 3.45Å; R132-V190 WeakPolarHBondContact CG-O 3.3Å; R132-K191 VanDerWaalsContact CD-C 3.46Å; R132-K191 WeakPolarHBondContact CD-O 3.33Å; R132-D193 WeakPolarHBondContact CA-OD1 3.47Å; R132-D193 IonicContact NE-OD2 3.62Å
133	F	93.5	Very high	93.2	Very high	81 Å²	81	39.9 Å²	39.9	36%	0.355	19%	0.193	S	C	.	.			trans	-152.5	152.4	178.4	-69.3	-66	0	0	0	108.7	H131 R135 V192 D193 R216	H131-F133 HydrophobicContact CB-CD2 3.84Å; H131-F133 HydrophobicContact CB-CE2 3.44Å; H131-F133 VanDerWaalsContact CB-CE2 3.44Å; H131-F133 HydrophobicContact CB-CZ 4.29Å; F133-R135 HydrophobicContact CB-CG 4.36Å; F133-R135 WeakPolarHBondContact O-CG 3.5Å; F133-R135 PolarHBondContact O-N 3.08Å; F133-V192 CarbonylContact C-O 3.56Å; F133-D193 PolarHBondContact N-OD1 2.75Å; F133-D193 WeakPolarHBondContact O-CA 3.38Å; F133-R216 HydrophobicContact CB-CB 3.9Å; F133-R216 HydrophobicContact CB-CG 4.25Å; F133-R216 HydrophobicContact CD1-CG 4.1Å; F133-R216 HydrophobicContact CD2-CG 4.32Å; F133-R216 HydrophobicContact CG-CB 4.2Å; F133-R216 HydrophobicContact CG-CG 3.98Å
134	I	95.7	Very high	92.6	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.015	20%	0.202	C	C	.	.			trans	-66.9	104.7	171.2	-56.9	168.3	0	0	0	108.3	V190 V192 D193 V195 F212 M214 R216 L217	I134-V190 HydrophobicContact CD1-CG1 4.07Å; I134-V190 HydrophobicContact CG1-CG1 3.81Å; I134-V192 HydrophobicContact CG1-CG2 4.24Å; I134-D193 WeakPolarHBondContact CA-O 3.48Å; I134-V195 HydrophobicContact CD1-CG2 3.9Å; I134-V195 HydrophobicContact CG1-CG2 3.95Å; I134-V195 HydrophobicContact CG2-CB 4.34Å; I134-V195 HydrophobicContact CG2-CG2 3.91Å; I134-F212 HydrophobicContact CD1-CD2 3.69Å; I134-F212 HydrophobicContact CD1-CE2 3.45Å; I134-F212 VanDerWaalsContact CD1-CE2 3.45Å; I134-F212 HydrophobicContact CD1-CZ 4.29Å; I134-M214 HydrophobicContact CD1-CE 4.34Å; I134-M214 HydrophobicContact CG2-CE 4.31Å; I134-M214 HydrophobicContact CG2-SD 3.86Å; I134-R216 CarbonylContact O-C 3.51Å; I134-R216 VanDerWaalsContact O-C 3.25Å; I134-L217 HydrophobicContact CG2-CD1 4.34Å; I134-L217 WeakPolarHBondContact O-CA 3.32Å; I134-L217 PolarHBondContact O-N 2.58Å
135	R	94.8	Very high	92.2	Very high	39 Å²	39	41.1 Å²	41.1	15%	0.147	20%	0.2	C	C	.	.			trans	-110.9	-21.5	-179.4	-69.1	173.6	-170	-171.8	4.3	112.3	F126 H131 F133 D193 R218 I219	F126-R135 HydrophobicContact CE1-CB 3.79Å; F126-R135 HydrophobicContact CE2-CB 3.68Å; F126-R135 HydrophobicContact CZ-CB 3.25Å; F126-R135 HydrophobicContact CZ-CG 4.44Å; H131-R135 PolarHBondContact O-NH2 3.08Å; F133-R135 HydrophobicContact CB-CG 4.36Å; F133-R135 WeakPolarHBondContact O-CG 3.5Å; F133-R135 PolarHBondContact O-N 3.08Å; R135-D193 PolarHBondContact N-O 3.47Å; R135-R218 WeakPolarHBondContact O-CA 3.41Å; R135-R218 PolarHBondContact O-N 3.35Å; R135-I219 PolarHBondContact O-N 2.95Å
136	A	97.9	Very high	92.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	135.4	172.6	0	0	0	0	0	111.1	I122 F126 I138 D193 I194 V195 I219	I122-A136 HydrophobicContact CG2-CB 3.84Å; F126-A136 HydrophobicContact CE2-CB 3.73Å; F126-A136 HydrophobicContact CZ-CB 3.93Å; A136-I138 HydrophobicContact CB-CD1 4.37Å; A136-D193 PolarHBondContact N-O 2.86Å; A136-I194 HydrophobicContact CB-CG1 4.28Å; A136-I194 HydrophobicContact CB-CG2 4.26Å; A136-I194 WeakPolarHBondContact O-CA 3.28Å; A136-V195 PolarHBondContact O-N 2.84Å; A136-I219 CarbonylContact C-O 3.34Å; A136-I219 VanDerWaalsContact CA-O 3.3Å; A136-I219 WeakPolarHBondContact CA-O 3.25Å; A136-I219 HydrophobicContact CB-CB 4.31Å
137	L	98.5	Very high	92	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.2	174.2	177	60.1	0	0	0	107.9	I139 V195 A197 L202 M214 L217 I219 L220 V221 L240	L137-I139 HydrophobicContact CD1-CD1 3.89Å; L137-I139 HydrophobicContact CD2-CD1 3.98Å; L137-I139 HydrophobicContact CG-CD1 3.75Å; L137-I139 HydrophobicContact CG-CG1 4.28Å; L137-V195 CarbonylContact C-O 3.57Å; L137-V195 WeakPolarHBondContact CA-O 3.11Å; L137-V195 HydrophobicContact CD1-CB 3.99Å; L137-V195 HydrophobicContact CD1-CG1 3.79Å; L137-A197 HydrophobicContact CD1-CB 4.28Å; L137-L202 HydrophobicContact CD1-CD1 4.18Å; L137-L202 HydrophobicContact CD2-CD1 4.04Å; L137-L202 HydrophobicContact CD2-CD2 4.01Å; L137-M214 HydrophobicContact CD1-CE 4.3Å; L137-M214 HydrophobicContact CD2-CE 4.14Å; L137-M214 HydrophobicContact CD2-SD 4.23Å; L137-L217 HydrophobicContact CB-CD1 3.46Å; L137-L217 VanDerWaalsContact CB-CD1 3.46Å; L137-L217 HydrophobicContact CB-CD2 4.08Å; L137-L217 HydrophobicContact CB-CG 4.42Å; L137-L217 HydrophobicContact CD2-CD2 4.17Å; L137-I219 PolarHBondContact N-O 2.91Å; L137-L220 HydrophobicContact CB-CD1 4.19Å; L137-L220 HydrophobicContact CD2-CD1 4.02Å; L137-L220 HydrophobicContact CG-CD1 4.03Å; L137-L220 CarbonylContact O-C 3.59Å; L137-L220 WeakPolarHBondContact O-CA 3.15Å; L137-V221 PolarHBondContact O-N 3.3Å; L137-L240 HydrophobicContact CD2-CD1 4.09Å; L137-L240 HydrophobicContact CD2-CD2 3.99Å
138	I	98.5	Very high	91.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	114.2	177.6	-57.3	80.3	0	0	0	107.9	Y118 A136 V140 V149 F153 I194 V195 I196 A197 V221	Y118-I138 HydrophobicContact CE2-CG1 4.2Å; Y118-I138 HydrophobicContact CE2-CG2 4.28Å; A136-I138 HydrophobicContact CB-CD1 4.37Å; I138-V140 HydrophobicContact CG2-CG1 4.13Å; I138-V149 HydrophobicContact CG2-CG1 4.22Å; I138-F153 HydrophobicContact CD1-CE2 4.27Å; I138-F153 HydrophobicContact CD1-CZ 3.98Å; I138-F153 HydrophobicContact CG1-CE2 4.2Å; I138-F153 HydrophobicContact CG1-CZ 4.14Å; I138-I194 HydrophobicContact CD1-CG2 3.31Å; I138-V195 PolarHBondContact N-O 2.8Å; I138-I196 HydrophobicContact CB-CG1 4.05Å; I138-I196 HydrophobicContact CD1-CG1 4.07Å; I138-I196 HydrophobicContact CG1-CG1 4.39Å; I138-I196 CarbonylContact O-C 3.5Å; I138-I196 WeakPolarHBondContact O-CA 3.41Å; I138-A197 PolarHBondContact O-N 3.3Å; I138-V221 CarbonylContact C-O 3.46Å; I138-V221 WeakPolarHBondContact CA-O 3.48Å; I138-V221 HydrophobicContact CB-CB 4.33Å; I138-V221 HydrophobicContact CG1-CB 4.02Å; I138-V221 HydrophobicContact CG1-CG2 4.16Å; I138-V221 HydrophobicContact CG2-CB 4.13Å; I138-V221 HydrophobicContact CG2-CG1 4.25Å
139	I	97.2	Very high	92.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	128.6	176.5	-55.6	-57.6	0	0	0	109.1	L137 A197 P199 L202 L220 V221 D223 V228 W236	L137-I139 HydrophobicContact CD1-CD1 3.89Å; L137-I139 HydrophobicContact CD2-CD1 3.98Å; L137-I139 HydrophobicContact CG-CD1 3.75Å; L137-I139 HydrophobicContact CG-CG1 4.28Å; I139-A197 WeakPolarHBondContact CA-O 3.17Å; I139-A197 HydrophobicContact CD1-CB 4.36Å; I139-P199 HydrophobicContact CG2-CG 3.76Å; I139-L202 HydrophobicContact CD1-CD2 3.77Å; I139-L220 HydrophobicContact CG1-CD1 3.82Å; I139-V221 PolarHBondContact N-O 3.25Å; I139-D223 PolarHBondContact O-N 3.22Å; I139-V228 HydrophobicContact CG2-CG1 3.87Å; I139-V228 HydrophobicContact CG2-CG2 4.31Å; I139-W236 HydrophobicContact CB-CH2 4.31Å; I139-W236 HydrophobicContact CD1-CZ3 4.25Å; I139-W236 HydrophobicContact CG1-CE3 4.44Å; I139-W236 HydrophobicContact CG1-CH2 3.93Å; I139-W236 HydrophobicContact CG1-CZ3 3.73Å; I139-W236 HydrophobicContact CG2-CH2 4.08Å; I139-W236 HydrophobicContact CG2-CZ2 4.18Å; I139-W236 HydrophobicContact CG2-CZ3 4.37Å
140	V	94.1	Very high	92.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.178	C	C	.	.			trans	-129.8	144	178.1	-63.4	0	0	0	0	109.7	I138 V142 L145 A146 V149 I196 A197 T198 P199 D223	I138-V140 HydrophobicContact CG2-CG1 4.13Å; V140-V142 PolarHBondContact O-N 3.48Å; V140-L145 HydrophobicContact CB-CB 4.35Å; V140-L145 HydrophobicContact CB-CD2 4.05Å; V140-L145 HydrophobicContact CB-CG 4.15Å; V140-L145 HydrophobicContact CG1-CD2 4.14Å; V140-L145 HydrophobicContact CG1-CG 4.07Å; V140-A146 HydrophobicContact CG2-CB 3.55Å; V140-V149 HydrophobicContact CG1-CG2 4.22Å; V140-I196 HydrophobicContact CG1-CG2 4.43Å; V140-I196 HydrophobicContact CG2-CG2 4.32Å; V140-A197 PolarHBondContact N-O 2.74Å; V140-T198 HydrophobicContact CG2-CG2 4.31Å; V140-T198 WeakPolarHBondContact O-CA 3.44Å; V140-P199 VanDerWaalsContact O-CD 3.26Å; V140-P199 WeakPolarHBondContact O-CD 3.39Å; V140-D223 HydrophobicContact CG1-CB 4.21Å
141	P	90.2	Very high	92.7	Very high	18 Å²	18	38 Å²	38	12%	0.117	17%	0.171	C	C	.	.	S	Bend	trans	-67.8	-33.9	-176.4	24.8	-36.2	0	0	0	113.2	L145 D223 E224 R227 V228	P141-L145 HydrophobicContact CG-CD2 4.37Å; P141-D223 VanDerWaalsContact CD-O 3.3Å; P141-D223 WeakPolarHBondContact CD-O 3.09Å; P141-E224 HydrophobicContact CG-CB 3.86Å; P141-E224 HydrophobicContact CG-CG 4.49Å; P141-R227 HydrophobicContact CB-CB 4.3Å; P141-R227 HydrophobicContact CG-CB 4.36Å; P141-V228 HydrophobicContact CB-CG2 4.14Å; P141-V228 HydrophobicContact CG-CG2 4.38Å
142	V	87.5	Confident	93.1	Very high	18 Å²	18	33.4 Å²	33.4	11%	0.109	15%	0.151	C	C	.	.	S	Bend	trans	-128.9	147.1	-170.2	-62.8	0	0	0	0	112.9	V140 D144 L145 A146 R466	V140-V142 PolarHBondContact O-N 3.48Å; V142-D144 VanDerWaalsContact C-N 3.34Å; V142-D144 PolarHBondContact O-N 3.23Å; V142-L145 HydrophobicContact CG2-CB 3.65Å; V142-L145 WeakPolarHBondContact O-CB 3.5Å; V142-L145 PolarHBondContact O-N 3.16Å; V142-A146 PolarHBondContact O-N 2.76Å; V142-A146 VanDerWaalsContact O-N 3.13Å; V142-R466 HydrophobicContact CG1-CB 4.24Å; V142-R466 HydrophobicContact CG2-CB 4.01Å
143	R	87.6	Confident	93.3	Very high	75 Å²	75	29.7 Å²	29.7	28%	0.283	14%	0.138	S	C	.	.	H	α-helix	trans	-55.5	-42.4	-179.6	174.7	-179.2	166.3	170.4	3.5	113.6	L145 A146 V147 A168 G169 I170	R143-L145 VanDerWaalsContact C-N 3.32Å; R143-L145 PolarHBondContact O-N 3.39Å; R143-A146 WeakPolarHBondContact O-CA 3.36Å; R143-A146 WeakPolarHBondContact O-CB 3.48Å; R143-A146 PolarHBondContact O-N 3.16Å; R143-A146 VanDerWaalsContact O-N 3.11Å; R143-V147 PolarHBondContact O-N 3.1Å; R143-V147 VanDerWaalsContact O-N 3.09Å; R143-A168 HydrophobicContact CB-CB 4.26Å; R143-A168 WeakPolarHBondContact CD-O 3.44Å; R143-A168 HydrophobicContact CG-CB 4.04Å; R143-A168 WeakPolarHBondContact CG-O 3.29Å; R143-G169 PolarHBondContact NH1-O 3.42Å; R143-I170 HydrophobicContact CG-CG1 3.88Å; R143-I170 VanDerWaalsContact CZ-CA 3.44Å; R143-I170 PolarHBondContact NH2-O 2.98Å
144	D	84.3	Confident	93.5	Very high	35 Å²	35	27.7 Å²	27.7	19%	0.187	13%	0.133	C	C	.	.	H	α-helix	trans	-66.8	-35.1	-178.7	-60.1	-81.2	0	0	0	112.5	V142 A146 V147 Q148 R443	V142-D144 VanDerWaalsContact C-N 3.34Å; V142-D144 PolarHBondContact O-N 3.23Å; D144-A146 VanDerWaalsContact C-N 3.3Å; D144-V147 PolarHBondContact O-N 3.23Å; D144-Q148 PolarHBondContact O-N 2.76Å; D144-R443 IonicContact OD1-CZ 2.83Å; D144-R443 VanDerWaalsContact OD1-CZ 3.23Å; D144-R443 IonicContact OD1-NE 3.95Å; D144-R443 IonicContact OD1-NH1 2.76Å; D144-R443 IonicContact OD1-NH2 2.73Å; D144-R443 PolarHBondContact OD1-NH2 2.92Å; D144-R443 IonicContact OD2-CZ 3.1Å; D144-R443 IonicContact OD2-NH1 3.84Å; D144-R443 PolarHBondContact OD2-NH1 3.18Å; D144-R443 VanDerWaalsContact OD2-NH1 3.08Å; D144-R443 IonicContact OD2-NH2 2.68Å; D144-R443 PolarHBondContact OD2-NH2 3.09Å
145	L	88	Confident	93.5	Very high	9 Å²	9	31 Å²	31	5%	0.047	15%	0.149	C	C	.	.	H	α-helix	trans	-65.9	-37.7	172.4	-173.7	58.1	0	0	0	110.3	V140 P141 V142 R143 V147 Q148 V149 E224	V140-L145 HydrophobicContact CB-CB 4.35Å; V140-L145 HydrophobicContact CB-CD2 4.05Å; V140-L145 HydrophobicContact CB-CG 4.15Å; V140-L145 HydrophobicContact CG1-CD2 4.14Å; V140-L145 HydrophobicContact CG1-CG 4.07Å; P141-L145 HydrophobicContact CG-CD2 4.37Å; V142-L145 HydrophobicContact CG2-CB 3.65Å; V142-L145 WeakPolarHBondContact O-CB 3.5Å; V142-L145 PolarHBondContact O-N 3.16Å; R143-L145 VanDerWaalsContact C-N 3.32Å; R143-L145 PolarHBondContact O-N 3.39Å; L145-V147 VanDerWaalsContact C-N 3.31Å; L145-V147 PolarHBondContact O-N 3.49Å; L145-Q148 WeakPolarHBondContact O-CB 3.34Å; L145-Q148 PolarHBondContact O-N 2.7Å; L145-V149 HydrophobicContact CD1-CG2 4.14Å; L145-V149 HydrophobicContact CG-CG2 4.22Å; L145-V149 VanDerWaalsContact O-CG2 3.31Å; L145-V149 WeakPolarHBondContact O-CG2 3.37Å; L145-V149 PolarHBondContact O-N 3.2Å; L145-E224 HydrophobicContact CD2-CG 3.93Å
146	A	93	Very high	93.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.1	-44.4	174.7	0	0	0	0	0	111.7	V140 V142 R143 D144 V149 Y150 V166 A168 I196	V140-A146 HydrophobicContact CG2-CB 3.55Å; V142-A146 PolarHBondContact O-N 2.76Å; V142-A146 VanDerWaalsContact O-N 3.13Å; R143-A146 WeakPolarHBondContact O-CA 3.36Å; R143-A146 WeakPolarHBondContact O-CB 3.48Å; R143-A146 PolarHBondContact O-N 3.16Å; R143-A146 VanDerWaalsContact O-N 3.11Å; D144-A146 VanDerWaalsContact C-N 3.3Å; A146-V149 PolarHBondContact O-N 2.9Å; A146-Y150 WeakPolarHBondContact O-CB 3.2Å; A146-Y150 PolarHBondContact O-N 2.78Å; A146-V166 HydrophobicContact CB-CG2 3.92Å; A146-A168 HydrophobicContact CB-CB 3.56Å; A146-I196 HydrophobicContact CB-CG2 4.02Å
147	V	90.6	Very high	93.6	Very high	60 Å²	60	29.9 Å²	29.9	36%	0.364	15%	0.146	S	C	.	.	H	α-helix	trans	-62.5	-42.9	175.9	177	0	0	0	0	111.2	R143 D144 L145 Y150 K151 I170	R143-V147 PolarHBondContact O-N 3.1Å; R143-V147 VanDerWaalsContact O-N 3.09Å; D144-V147 PolarHBondContact O-N 3.23Å; L145-V147 VanDerWaalsContact C-N 3.31Å; L145-V147 PolarHBondContact O-N 3.49Å; V147-Y150 PolarHBondContact O-N 3.05Å; V147-K151 WeakPolarHBondContact O-CB 3.09Å; V147-K151 PolarHBondContact O-N 3.32Å; V147-I170 HydrophobicContact CG2-CD1 3.48Å; V147-I170 VanDerWaalsContact CG2-CD1 3.48Å; V147-I170 HydrophobicContact CG2-CG1 4.11Å
148	Q	88.4	Confident	93.5	Very high	43 Å²	43	34.3 Å²	34.3	20%	0.201	17%	0.17	C	C	.	.	H	α-helix	trans	-61.7	-52	178.1	-177.8	-171.1	-7.9	0	0	111.2	D144 L145 Y150 K151 T152 G467 D469	D144-Q148 PolarHBondContact O-N 2.76Å; L145-Q148 WeakPolarHBondContact O-CB 3.34Å; L145-Q148 PolarHBondContact O-N 2.7Å; Q148-Y150 VanDerWaalsContact C-N 3.3Å; Q148-Y150 PolarHBondContact O-N 2.77Å; Q148-K151 WeakPolarHBondContact O-CB 3.35Å; Q148-K151 PolarHBondContact O-N 2.91Å; Q148-T152 PolarHBondContact O-N 3.48Å; Q148-T152 PolarHBondContact O-OG1 3.41Å; Q148-G467 PolarHBondContact OE1-O 2.98Å; Q148-G467 VanDerWaalsContact OE1-O 3.13Å; Q148-D469 VanDerWaalsContact CD-CB 3.49Å; Q148-D469 HydrophobicContact CG-CB 4.07Å; Q148-D469 PolarHBondContact NE2-OD2 3.36Å
149	V	95.2	Very high	93.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.2	-43.2	179	176.5	0	0	0	0	109.8	T115 I138 V140 L145 A146 K151 T152 F153 I196	T115-V149 HydrophobicContact CG2-CG1 4.33Å; T115-V149 HydrophobicContact CG2-CG2 4.19Å; I138-V149 HydrophobicContact CG2-CG1 4.22Å; V140-V149 HydrophobicContact CG1-CG2 4.22Å; L145-V149 HydrophobicContact CD1-CG2 4.14Å; L145-V149 HydrophobicContact CG-CG2 4.22Å; L145-V149 VanDerWaalsContact O-CG2 3.31Å; L145-V149 WeakPolarHBondContact O-CG2 3.37Å; L145-V149 PolarHBondContact O-N 3.2Å; A146-V149 PolarHBondContact O-N 2.9Å; V149-K151 VanDerWaalsContact C-N 3.34Å; V149-K151 PolarHBondContact O-N 2.78Å; V149-T152 WeakPolarHBondContact O-CB 3.46Å; V149-T152 PolarHBondContact O-N 2.95Å; V149-T152 VanDerWaalsContact O-N 3.11Å; V149-F153 HydrophobicContact CG1-CD2 3.65Å; V149-F153 HydrophobicContact CG1-CE2 3.61Å; V149-F153 WeakPolarHBondContact O-CD2 3.39Å; V149-F153 PolarHBondContact O-N 2.8Å; V149-I196 HydrophobicContact CB-CD1 4.34Å; V149-I196 HydrophobicContact CB-CG2 4.3Å; V149-I196 HydrophobicContact CG1-CD1 3.78Å; V149-I196 HydrophobicContact CG1-CG1 4.07Å; V149-I196 HydrophobicContact CG1-CG2 4.24Å
150	Y	96.5	Very high	93.2	Very high	87 Å²	87	39.3 Å²	39.3	34%	0.341	21%	0.214	S	C	.	.	H	α-helix	trans	-55.9	-48.7	175.8	175.9	-95.4	0	0	0	111.2	A146 V147 Q148 T152 F153 S154 V164 V166 I196	A146-Y150 WeakPolarHBondContact O-CB 3.2Å; A146-Y150 PolarHBondContact O-N 2.78Å; V147-Y150 PolarHBondContact O-N 3.05Å; Q148-Y150 VanDerWaalsContact C-N 3.3Å; Q148-Y150 PolarHBondContact O-N 2.77Å; Y150-T152 VanDerWaalsContact C-N 3.32Å; Y150-T152 PolarHBondContact O-N 2.78Å; Y150-F153 PolarHBondContact O-N 2.9Å; Y150-S154 WeakPolarHBondContact CE1-OG 3.41Å; Y150-S154 WeakPolarHBondContact O-CB 3.44Å; Y150-S154 PolarHBondContact O-N 3.48Å; Y150-S154 PolarHBondContact O-OG 3.46Å; Y150-V164 HydrophobicContact CD2-CB 4.45Å; Y150-V164 HydrophobicContact CD2-CG1 3.83Å; Y150-V164 HydrophobicContact CE2-CB 4.21Å; Y150-V164 HydrophobicContact CE2-CG1 4.08Å; Y150-V164 WeakPolarHBondContact CE2-O 3.48Å; Y150-V166 HydrophobicContact CD2-CB 3.84Å; Y150-V166 HydrophobicContact CD2-CG1 4.03Å; Y150-V166 HydrophobicContact CE2-CB 4.48Å; Y150-V166 HydrophobicContact CE2-CG1 4.31Å; Y150-V166 HydrophobicContact CG-CB 4.21Å; Y150-V166 HydrophobicContact CG-CG1 4.28Å; Y150-I196 HydrophobicContact CD2-CD1 4.36Å
151	K	94.3	Very high	93.2	Very high	132 Å²	132	43.7 Å²	43.7	57%	0.574	24%	0.237	S	C	*	.	H	α-helix	trans	-58	-43.3	176.4	-175.3	-179.7	177.4	-176.9	0	112	V147 Q148 V149 S154 Q155	V147-K151 WeakPolarHBondContact O-CB 3.09Å; V147-K151 PolarHBondContact O-N 3.32Å; Q148-K151 WeakPolarHBondContact O-CB 3.35Å; Q148-K151 PolarHBondContact O-N 2.91Å; V149-K151 VanDerWaalsContact C-N 3.34Å; V149-K151 PolarHBondContact O-N 2.78Å; K151-S154 PolarHBondContact O-N 3.07Å; K151-Q155 WeakPolarHBondContact O-CB 3.25Å; K151-Q155 VanDerWaalsContact O-CG 3.26Å; K151-Q155 WeakPolarHBondContact O-CG 3.49Å; K151-Q155 PolarHBondContact O-N 3.2Å
152	T	95.6	Very high	93.5	Very high	24 Å²	24	43.1 Å²	43.1	15%	0.147	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-47	176.9	-58.1	0	0	0	0	111.7	T115 L116 Q148 V149 Y150 Q155 L156	T115-T152 HydrophobicContact CG2-CG2 3.9Å; L116-T152 HydrophobicContact CD2-CG2 3.62Å; L116-T152 HydrophobicContact CG-CG2 4.36Å; Q148-T152 PolarHBondContact O-N 3.48Å; Q148-T152 PolarHBondContact O-OG1 3.41Å; V149-T152 WeakPolarHBondContact O-CB 3.46Å; V149-T152 PolarHBondContact O-N 2.95Å; V149-T152 VanDerWaalsContact O-N 3.11Å; Y150-T152 VanDerWaalsContact C-N 3.32Å; Y150-T152 PolarHBondContact O-N 2.78Å; T152-Q155 PolarHBondContact O-N 3.25Å; T152-L156 HydrophobicContact CG2-CD1 4.36Å; T152-L156 WeakPolarHBondContact O-CG 3.32Å; T152-L156 PolarHBondContact O-N 3.4Å; T152-L156 VanDerWaalsContact O-N 3.13Å
153	F	98.2	Very high	94	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.2	-46.8	176.3	-85.9	-90	0	0	0	111.8	Y118 A119 I122 I123 I138 V149 Y150 Q155 L156 V157 V164 I194 I196	Y118-F153 HydrophobicContact CD2-CE2 4.43Å; Y118-F153 HydrophobicContact CD2-CZ 4.11Å; Y118-F153 AromaticContact CE2-CE2 3.78Å; Y118-F153 HydrophobicContact CE2-CE2 3.78Å; Y118-F153 AromaticContact CE2-CZ 3.89Å; Y118-F153 HydrophobicContact CE2-CZ 3.89Å; A119-F153 HydrophobicContact CB-CD1 4.32Å; A119-F153 HydrophobicContact CB-CD2 4.22Å; A119-F153 HydrophobicContact CB-CE1 3.8Å; A119-F153 HydrophobicContact CB-CE2 3.71Å; A119-F153 HydrophobicContact CB-CZ 3.48Å; A119-F153 VanDerWaalsContact CB-CZ 3.48Å; I122-F153 HydrophobicContact CB-CE1 4.45Å; I122-F153 HydrophobicContact CD1-CZ 4.33Å; I122-F153 HydrophobicContact CG2-CE1 4.19Å; I123-F153 HydrophobicContact CD1-CD1 3.9Å; I123-F153 HydrophobicContact CD1-CE1 4.39Å; I123-F153 HydrophobicContact CG1-CD1 4.12Å; I123-F153 HydrophobicContact CG1-CE1 4.31Å; I138-F153 HydrophobicContact CD1-CE2 4.27Å; I138-F153 HydrophobicContact CD1-CZ 3.98Å; I138-F153 HydrophobicContact CG1-CE2 4.2Å; I138-F153 HydrophobicContact CG1-CZ 4.14Å; V149-F153 HydrophobicContact CG1-CD2 3.65Å; V149-F153 HydrophobicContact CG1-CE2 3.61Å; V149-F153 WeakPolarHBondContact O-CD2 3.39Å; V149-F153 PolarHBondContact O-N 2.8Å; Y150-F153 PolarHBondContact O-N 2.9Å; F153-Q155 PolarHBondContact O-N 3.45Å; F153-L156 PolarHBondContact O-N 3.35Å; F153-V157 WeakPolarHBondContact O-CG1 3.45Å; F153-V157 WeakPolarHBondContact O-CG2 3.29Å; F153-V157 PolarHBondContact O-N 3.04Å; F153-V164 HydrophobicContact CB-CG1 3.93Å; F153-V164 HydrophobicContact CB-CG2 4Å; F153-I194 HydrophobicContact CD1-CD1 3.71Å; F153-I194 HydrophobicContact CD1-CG2 4.18Å; F153-I194 HydrophobicContact CE1-CD1 3.84Å; F153-I194 HydrophobicContact CE1-CG2 4.12Å; F153-I196 HydrophobicContact CD2-CD1 4Å; F153-I196 HydrophobicContact CG-CD1 4.47Å
154	S	97.1	Very high	94.5	Very high	38 Å²	38	43.2 Å²	43.2	27%	0.266	24%	0.236	S	C	.	.	H	α-helix	trans	-56.4	-39.6	176.2	-62.3	0	0	0	0	112.1	Y150 K151 N158	Y150-S154 WeakPolarHBondContact CE1-OG 3.41Å; Y150-S154 WeakPolarHBondContact O-CB 3.44Å; Y150-S154 PolarHBondContact O-N 3.48Å; Y150-S154 PolarHBondContact O-OG 3.46Å; K151-S154 PolarHBondContact O-N 3.07Å; S154-N158 PolarHBondContact O-N 3.38Å
155	Q	96.5	Very high	95.1	Very high	74 Å²	74	41.9 Å²	41.9	35%	0.346	23%	0.231	S	C	.	.	H	α-helix	trans	-62.8	-44.6	174.3	-78	176.4	-41.4	0	0	111.1	R66 I70 K151 T152 F153	R66-Q155 PolarHBondContact NE-O 2.93Å; R66-Q155 PolarHBondContact NH2-O 2.83Å; I70-Q155 HydrophobicContact CD1-CB 3.96Å; K151-Q155 WeakPolarHBondContact O-CB 3.25Å; K151-Q155 VanDerWaalsContact O-CG 3.26Å; K151-Q155 WeakPolarHBondContact O-CG 3.49Å; K151-Q155 PolarHBondContact O-N 3.2Å; T152-Q155 PolarHBondContact O-N 3.25Å; F153-Q155 PolarHBondContact O-N 3.45Å
156	L	97.5	Very high	95.6	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-74.9	-31.9	-177.2	-67.6	171.8	0	0	0	114.2	L67 I70 L116 A119 V120 I123 T152 F153	L67-L156 HydrophobicContact CD2-CD2 3.62Å; L67-L156 HydrophobicContact CG-CD2 4.36Å; I70-L156 HydrophobicContact CD1-CD2 3.86Å; I70-L156 HydrophobicContact CD1-CG 4.5Å; L116-L156 HydrophobicContact CD2-CD1 3.79Å; L116-L156 HydrophobicContact CD2-CD2 4.39Å; L116-L156 HydrophobicContact CD2-CG 4.43Å; A119-L156 HydrophobicContact CB-CD1 3.89Å; V120-L156 HydrophobicContact CG2-CD1 4.25Å; I123-L156 HydrophobicContact CD1-CB 3.17Å; I123-L156 HydrophobicContact CD1-CD1 3.68Å; I123-L156 HydrophobicContact CD1-CG 4.08Å; T152-L156 HydrophobicContact CG2-CD1 4.36Å; T152-L156 WeakPolarHBondContact O-CG 3.32Å; T152-L156 PolarHBondContact O-N 3.4Å; T152-L156 VanDerWaalsContact O-N 3.13Å; F153-L156 PolarHBondContact O-N 3.35Å
157	V	96.9	Very high	95.7	Very high	13 Å²	13	42.6 Å²	42.6	8%	0.079	24%	0.235	C	C	.	.	H	α-helix	trans	-85.3	-10.9	-179.9	-57.3	0	0	0	0	113.7	I123 F153 G159 T160 I162 V164	I123-V157 HydrophobicContact CD1-CG1 3.68Å; I123-V157 HydrophobicContact CG1-CG1 3.9Å; I123-V157 HydrophobicContact CG2-CG1 4.24Å; F153-V157 WeakPolarHBondContact O-CG1 3.45Å; F153-V157 WeakPolarHBondContact O-CG2 3.29Å; F153-V157 PolarHBondContact O-N 3.04Å; V157-G159 PolarHBondContact O-N 3.5Å; V157-T160 WeakPolarHBondContact O-CB 3.26Å; V157-T160 WeakPolarHBondContact O-CG2 3.2Å; V157-T160 PolarHBondContact O-N 3.42Å; V157-T160 PolarHBondContact O-OG1 3.13Å; V157-I162 HydrophobicContact CB-CB 4.19Å; V157-I162 HydrophobicContact CB-CG2 4.49Å; V157-I162 HydrophobicContact CG1-CB 4.03Å; V157-I162 HydrophobicContact CG1-CG2 3.85Å; V157-V164 HydrophobicContact CG1-CG2 4.04Å; V157-V164 HydrophobicContact CG2-CG2 3.96Å
158	N	96	Very high	95.9	Very high	94 Å²	94	40.1 Å²	40.1	50%	0.503	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	128.3	-179.8	-174.9	32.5	0	0	0	110.9	F62 R66 S154	F62-N158 WeakPolarHBondContact CZ-O 3.48Å; R66-N158 PolarHBondContact NH2-ND2 3.13Å; S154-N158 PolarHBondContact O-N 3.38Å
159	G	93.8	Very high	96	Very high	67 Å²	67	39.5 Å²	39.5	69%	0.691	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.2	0.8	-170.1	0	0	0	0	0	114.4	V157	V157-G159 PolarHBondContact O-N 3.5Å
160	T	95.4	Very high	95.7	Very high	37 Å²	37	41.9 Å²	41.9	23%	0.227	24%	0.238	C	C	.	.	S	Bend	trans	-116.9	167.2	172	76.4	0	0	0	0	111.6	F62 L127 V157 I162	F62-T160 HydrophobicContact CD1-CG2 3.95Å; F62-T160 HydrophobicContact CD2-CG2 4.47Å; F62-T160 HydrophobicContact CE1-CG2 3.2Å; F62-T160 HydrophobicContact CE2-CG2 3.81Å; F62-T160 HydrophobicContact CZ-CG2 3.13Å; L127-T160 HydrophobicContact CD2-CG2 3.74Å; V157-T160 WeakPolarHBondContact O-CB 3.26Å; V157-T160 WeakPolarHBondContact O-CG2 3.2Å; V157-T160 PolarHBondContact O-N 3.42Å; V157-T160 PolarHBondContact O-OG1 3.13Å; T160-I162 VanDerWaalsContact C-N 3.25Å; T160-I162 WeakPolarHBondContact OG1-CB 3.5Å; T160-I162 PolarHBondContact OG1-N 3.09Å; T160-I162 VanDerWaalsContact OG1-N 3.12Å
161	D	94.6	Very high	95.4	Very high	93 Å²	93	42.6 Å²	42.6	50%	0.497	24%	0.243	S	C	.	.	S	Bend	trans	-81.1	-1.3	170.3	-177.4	51.4	0	0	0	113	R129 R132 Q163	R129-D161 IonicContact CZ-OD2 3.6Å; R129-D161 IonicContact NH1-OD2 2.77Å; R129-D161 PolarHBondContact NH1-OD2 3.19Å; R129-D161 VanDerWaalsContact NH1-OD2 3.1Å; R129-D161 PolarHBondContact NH2-O 3.15Å; R129-D161 IonicContact NH2-OD2 3.31Å; R129-D161 PolarHBondContact NH2-OD2 3.43Å; R132-D161 IonicContact CZ-OD1 2.78Å; R132-D161 IonicContact CZ-OD2 2.88Å; R132-D161 PolarHBondContact NH2-O 3.07Å; R132-D161 IonicContact NH2-OD1 3.56Å; R132-D161 PolarHBondContact NH2-OD1 2.68Å; R132-D161 IonicContact NH2-OD2 2.82Å; R132-D161 PolarHBondContact NH2-OD2 2.82Å; D161-Q163 PolarHBondContact O-N 2.91Å
162	I	97.3	Very high	95.5	Very high	6 Å²	6	40 Å²	40	3%	0.031	24%	0.242	C	C	.	.			trans	-67.2	127.5	-179	-59.3	169.2	0	0	0	109.7	I123 F126 L127 V157 T160 D193 I194	I123-I162 HydrophobicContact CG2-CD1 4.06Å; F126-I162 HydrophobicContact CB-CD1 3.89Å; F126-I162 HydrophobicContact CB-CG1 4.47Å; L127-I162 HydrophobicContact CD2-CD1 4.1Å; V157-I162 HydrophobicContact CB-CB 4.19Å; V157-I162 HydrophobicContact CB-CG2 4.49Å; V157-I162 HydrophobicContact CG1-CB 4.03Å; V157-I162 HydrophobicContact CG1-CG2 3.85Å; T160-I162 VanDerWaalsContact C-N 3.25Å; T160-I162 WeakPolarHBondContact OG1-CB 3.5Å; T160-I162 PolarHBondContact OG1-N 3.09Å; T160-I162 VanDerWaalsContact OG1-N 3.12Å; I162-D193 HydrophobicContact CG2-CB 4.07Å; I162-I194 HydrophobicContact CG2-CD1 4.12Å; I162-I194 HydrophobicContact CG2-CG1 4.47Å
163	Q	96.9	Very high	95.5	Very high	83 Å²	83	41.3 Å²	41.3	39%	0.388	25%	0.246	S	C	.	.			trans	-107.3	136.3	-177.9	-67.4	-60.6	-33.6	0	0	111.3	D161 K191 V192 D193 I194	D161-Q163 PolarHBondContact O-N 2.91Å; Q163-K191 WeakPolarHBondContact CB-O 2.74Å; Q163-K191 WeakPolarHBondContact CG-O 3.36Å; Q163-V192 HydrophobicContact CB-CG1 4.38Å; Q163-D193 PolarHBondContact N-OD2 3Å; Q163-D193 PolarHBondContact O-N 2.8Å; Q163-I194 PolarHBondContact O-N 2.88Å; Q163-I194 VanDerWaalsContact O-N 3.17Å
164	V	98.2	Very high	95.4	Very high	12 Å²	12	44.7 Å²	44.7	7%	0.073	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131.5	-178.8	-173.3	0	0	0	0	107.7	Y150 F153 V157 I194 I196	Y150-V164 HydrophobicContact CD2-CB 4.45Å; Y150-V164 HydrophobicContact CD2-CG1 3.83Å; Y150-V164 HydrophobicContact CE2-CB 4.21Å; Y150-V164 HydrophobicContact CE2-CG1 4.08Å; Y150-V164 WeakPolarHBondContact CE2-O 3.48Å; F153-V164 HydrophobicContact CB-CG1 3.93Å; F153-V164 HydrophobicContact CB-CG2 4Å; V157-V164 HydrophobicContact CG1-CG2 4.04Å; V157-V164 HydrophobicContact CG2-CG2 3.96Å; V164-I194 CarbonylContact C-O 3.59Å; V164-I194 WeakPolarHBondContact CA-O 3.25Å; V164-I194 HydrophobicContact CG1-CB 4.27Å; V164-I194 HydrophobicContact CG1-CG2 4.27Å; V164-I194 HydrophobicContact CG2-CB 4.27Å; V164-I194 HydrophobicContact CG2-CD1 4.35Å; V164-I196 HydrophobicContact CG1-CD1 3.82Å
165	G	97.3	Very high	95.4	Very high	6 Å²	6	46.9 Å²	46.9	6%	0.062	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	154.6	175.5	0	0	0	0	0	111.8	I194 I196	G165-I194 PolarHBondContact N-O 2.82Å; G165-I196 PolarHBondContact O-N 2.93Å
166	V	97.5	Very high	95.4	Very high	25 Å²	25	43.5 Å²	43.5	15%	0.152	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	125.7	175.3	62.2	0	0	0	0	111.2	A146 Y150 A168 I170 I196	A146-V166 HydrophobicContact CB-CG2 3.92Å; Y150-V166 HydrophobicContact CD2-CB 3.84Å; Y150-V166 HydrophobicContact CD2-CG1 4.03Å; Y150-V166 HydrophobicContact CE2-CB 4.48Å; Y150-V166 HydrophobicContact CE2-CG1 4.31Å; Y150-V166 HydrophobicContact CG-CB 4.21Å; Y150-V166 HydrophobicContact CG-CG1 4.28Å; V166-A168 HydrophobicContact CG2-CB 4.12Å; V166-I170 HydrophobicContact CB-CD1 4.29Å; V166-I170 HydrophobicContact CG1-CD1 3.76Å; V166-I170 HydrophobicContact CG2-CD1 3.53Å; V166-I196 CarbonylContact C-O 3.56Å; V166-I196 VanDerWaalsContact CA-O 3.28Å; V166-I196 WeakPolarHBondContact CA-O 3.5Å
167	L	96.8	Very high	95.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	76.9	-177.7	-54.4	-178.8	0	0	0	108.9	E176 I180 V195 I196 A197 T198 R201 H205 F212	L167-E176 HydrophobicContact CD2-CB 4Å; L167-I180 HydrophobicContact CD1-CD1 4.1Å; L167-I180 HydrophobicContact CD2-CD1 3.8Å; L167-I180 HydrophobicContact CD2-CG2 3.85Å; L167-V195 HydrophobicContact CD1-CG1 3.61Å; L167-V195 HydrophobicContact CG-CG1 3.94Å; L167-I196 PolarHBondContact N-O 3.26Å; L167-A197 HydrophobicContact CB-CB 3.95Å; L167-A197 VanDerWaalsContact O-CA 3.26Å; L167-A197 WeakPolarHBondContact O-CA 3.43Å; L167-T198 PolarHBondContact O-N 2.83Å; L167-T198 VanDerWaalsContact O-N 3.11Å; L167-R201 VanDerWaalsContact C-CG 3.46Å; L167-R201 HydrophobicContact CB-CG 4.1Å; L167-R201 WeakPolarHBondContact O-CB 3.48Å; L167-R201 VanDerWaalsContact O-CG 3.27Å; L167-R201 WeakPolarHBondContact O-CG 3.47Å; L167-H205 HydrophobicContact CD1-CB 4.21Å; L167-F212 HydrophobicContact CD1-CE1 4.44Å; L167-F212 HydrophobicContact CD1-CE2 3.77Å; L167-F212 HydrophobicContact CD1-CZ 3.52Å
168	A	93.3	Very high	95.3	Very high	8 Å²	8	49.7 Å²	49.7	7%	0.066	29%	0.286	C	S	.	.	S	Bend	trans	-132.2	19	-174.7	0	0	0	0	0	112.8	R143 A146 V166 I170 T198	R143-A168 HydrophobicContact CB-CB 4.26Å; R143-A168 WeakPolarHBondContact CD-O 3.44Å; R143-A168 HydrophobicContact CG-CB 4.04Å; R143-A168 WeakPolarHBondContact CG-O 3.29Å; A146-A168 HydrophobicContact CB-CB 3.56Å; V166-A168 HydrophobicContact CG2-CB 4.12Å; A168-I170 VanDerWaalsContact C-N 3.28Å; A168-I170 HydrophobicContact CB-CD1 4.12Å; A168-I170 HydrophobicContact CB-CG1 4.16Å; A168-T198 HydrophobicContact CB-CG2 3.98Å
169	G	90.9	Very high	95.2	Very high	29 Å²	29	48 Å²	48	30%	0.299	28%	0.277	S	S	.	.	S	Bend	trans	66.4	35.2	-174	0	0	0	0	0	111	R143 E176	R143-G169 PolarHBondContact NH1-O 3.42Å; G169-E176 WeakPolarHBondContact CA-OE1 3.26Å; G169-E176 PolarHBondContact N-OE1 3.48Å; G169-E176 VanDerWaalsContact N-OE1 3.1Å
170	I	88.8	Confident	95.3	Very high	50 Å²	50	44.9 Å²	44.9	26%	0.256	24%	0.244	S	C	.	.	S	Bend	trans	-76.9	-46.7	-178.5	-66.4	159.7	0	0	0	110.5	R143 V147 V166 A168 E176	R143-I170 HydrophobicContact CG-CG1 3.88Å; R143-I170 VanDerWaalsContact CZ-CA 3.44Å; R143-I170 PolarHBondContact NH2-O 2.98Å; V147-I170 HydrophobicContact CG2-CD1 3.48Å; V147-I170 VanDerWaalsContact CG2-CD1 3.48Å; V147-I170 HydrophobicContact CG2-CG1 4.11Å; V166-I170 HydrophobicContact CB-CD1 4.29Å; V166-I170 HydrophobicContact CG1-CD1 3.76Å; V166-I170 HydrophobicContact CG2-CD1 3.53Å; A168-I170 VanDerWaalsContact C-N 3.28Å; A168-I170 HydrophobicContact CB-CD1 4.12Å; A168-I170 HydrophobicContact CB-CG1 4.16Å; I170-E176 PolarHBondContact N-OE1 3.08Å
171	K	91.6	Very high	95.3	Very high	103 Å²	103	43.8 Å²	43.8	45%	0.448	24%	0.237	S	C	.	.	S	Bend	trans	-107.2	174.2	175.2	-53.1	176.2	-172.6	174.4	0	108.1	K175 E176 D179	K171-K175 HydrophobicContact CB-CB 3.99Å; K171-K175 HydrophobicContact CB-CG 4.05Å; K171-K175 HydrophobicContact CD-CG 3.77Å; K171-K175 HydrophobicContact CG-CG 4.48Å; K171-E176 HydrophobicContact CB-CG 4.1Å; K171-E176 PolarHBondContact N-OE1 2.99Å; K171-D179 VanDerWaalsContact CD-OD2 3.32Å; K171-D179 WeakPolarHBondContact CD-OD2 3.44Å; K171-D179 WeakPolarHBondContact CE-OD2 3.3Å; K171-D179 IonicContact NZ-OD1 3.67Å; K171-D179 IonicContact NZ-OD2 2.67Å; K171-D179 PolarHBondContact NZ-OD2 3.13Å
172	S	94.7	Very high	95.2	Very high	78 Å²	78	42.3 Å²	42.3	55%	0.545	23%	0.229	S	C	.	.			trans	-59.2	154.6	170.2	61.2	0	0	0	0	110.3	S174 K175 E176	S172-S174 VanDerWaalsContact C-N 3.35Å; S172-S174 PolarHBondContact O-N 2.84Å; S172-K175 PolarHBondContact O-N 2.83Å; S172-K175 VanDerWaalsContact O-N 3.11Å; S172-K175 WeakPolarHBondContact OG-CB 3.45Å; S172-K175 PolarHBondContact OG-N 3.39Å; S172-E176 PolarHBondContact O-N 2.87Å
173	F	96.8	Very high	94.8	Very high	51 Å²	51	47 Å²	47	22%	0.224	25%	0.254	C	S	.	.	H	α-helix	trans	-55.8	-48.8	179.5	-174.9	-116.5	0	0	0	112.5	K175 E176 Q177 R201 D204 H205 N208	F173-K175 PolarHBondContact O-N 3.14Å; F173-E176 PolarHBondContact O-N 3.21Å; F173-Q177 HydrophobicContact CD1-CG 4.35Å; F173-Q177 VanDerWaalsContact CE1-CD 3.49Å; F173-Q177 HydrophobicContact CE1-CG 4.16Å; F173-Q177 HydrophobicContact CZ-CG 4.28Å; F173-Q177 WeakPolarHBondContact O-CG 3.34Å; F173-Q177 PolarHBondContact O-N 3.21Å; F173-R201 VanDerWaalsContact CB-NH2 3.27Å; F173-D204 HydrophobicContact CE2-CB 3.95Å; F173-D204 HydrophobicContact CZ-CB 4.5Å; F173-H205 AromaticContact CD2-CE1 3.51Å; F173-H205 AromaticContact CD2-NE2 3.53Å; F173-H205 AromaticContact CE2-CD2 3.73Å; F173-H205 AromaticContact CE2-CE1 3.29Å; F173-H205 WeakPolarHBondContact CE2-CE1 3.4Å; F173-H205 AromaticContact CE2-CG 3.72Å; F173-H205 AromaticContact CE2-ND1 3.46Å; F173-H205 WeakPolarHBondContact CE2-ND1 3.48Å; F173-H205 AromaticContact CE2-NE2 3.46Å; F173-H205 WeakPolarHBondContact CE2-NE2 3.34Å; F173-N208 HydrophobicContact CE1-CB 3.9Å; F173-N208 HydrophobicContact CZ-CB 3.73Å
174	S	96.5	Very high	94.2	Very high	71 Å²	71	45.8 Å²	45.8	50%	0.497	25%	0.252	S	S	.	.	H	α-helix	trans	-56.8	-38.7	177.2	-47.5	0	0	0	0	112.5	S172 Q177 E178	S172-S174 VanDerWaalsContact C-N 3.35Å; S172-S174 PolarHBondContact O-N 2.84Å; S174-Q177 WeakPolarHBondContact O-CB 3.39Å; S174-Q177 PolarHBondContact O-N 2.9Å; S174-E178 WeakPolarHBondContact O-CG 3.43Å; S174-E178 PolarHBondContact O-N 3.11Å
175	K	96	Very high	93.3	Very high	83 Å²	83	53 Å²	53	36%	0.361	29%	0.29	S	S	.	.	H	α-helix	trans	-68.6	-39.7	176.9	-170.1	70.8	-148.2	161	0	112.2	K171 S172 F173 Q177 E178 D179	K171-K175 HydrophobicContact CB-CB 3.99Å; K171-K175 HydrophobicContact CB-CG 4.05Å; K171-K175 HydrophobicContact CD-CG 3.77Å; K171-K175 HydrophobicContact CG-CG 4.48Å; S172-K175 PolarHBondContact O-N 2.83Å; S172-K175 VanDerWaalsContact O-N 3.11Å; S172-K175 WeakPolarHBondContact OG-CB 3.45Å; S172-K175 PolarHBondContact OG-N 3.39Å; F173-K175 PolarHBondContact O-N 3.14Å; K175-Q177 VanDerWaalsContact C-N 3.29Å; K175-Q177 PolarHBondContact O-N 3.41Å; K175-E178 IonicContact NZ-OE2 3.89Å; K175-E178 PolarHBondContact NZ-OE2 3.28Å; K175-E178 PolarHBondContact O-N 2.9Å; K175-D179 WeakPolarHBondContact CE-OD1 3.35Å; K175-D179 WeakPolarHBondContact O-CB 3.16Å; K175-D179 PolarHBondContact O-N 3.06Å
176	E	96.9	Very high	92.4	Very high	3 Å²	3	61.8 Å²	61.8	1%	0.014	33%	0.33	C	S	.	.	H	α-helix	trans	-63.7	-36.3	174.1	-68.1	177.6	162.7	0	0	111.3	L167 G169 I170 K171 S172 F173 D179 I180 R201 H205	L167-E176 HydrophobicContact CD2-CB 4Å; G169-E176 WeakPolarHBondContact CA-OE1 3.26Å; G169-E176 PolarHBondContact N-OE1 3.48Å; G169-E176 VanDerWaalsContact N-OE1 3.1Å; I170-E176 PolarHBondContact N-OE1 3.08Å; K171-E176 HydrophobicContact CB-CG 4.1Å; K171-E176 PolarHBondContact N-OE1 2.99Å; S172-E176 PolarHBondContact O-N 2.87Å; F173-E176 PolarHBondContact O-N 3.21Å; E176-D179 PolarHBondContact O-N 3.37Å; E176-I180 WeakPolarHBondContact O-CG1 3.43Å; E176-I180 PolarHBondContact O-N 2.91Å; E176-R201 IonicContact OE2-CZ 2.84Å; E176-R201 IonicContact OE2-NE 3.25Å; E176-R201 PolarHBondContact OE2-NE 3.14Å; E176-R201 IonicContact OE2-NH2 3.48Å; E176-R201 PolarHBondContact OE2-NH2 3.06Å; E176-H205 IonicContact OE2-NE2 2.58Å; E176-H205 PolarHBondContact OE2-NE2 3.04Å
177	Q	96.4	Very high	91.9	Very high	44 Å²	44	63.7 Å²	63.7	21%	0.206	34%	0.344	C	S	.	.	H	α-helix	trans	-63.5	-46.8	173.2	-64.5	-179.2	-54.5	0	0	112.1	F173 S174 K175 D179 I180 I181 N208 T209	F173-Q177 HydrophobicContact CD1-CG 4.35Å; F173-Q177 VanDerWaalsContact CE1-CD 3.49Å; F173-Q177 HydrophobicContact CE1-CG 4.16Å; F173-Q177 HydrophobicContact CZ-CG 4.28Å; F173-Q177 WeakPolarHBondContact O-CG 3.34Å; F173-Q177 PolarHBondContact O-N 3.21Å; S174-Q177 WeakPolarHBondContact O-CB 3.39Å; S174-Q177 PolarHBondContact O-N 2.9Å; K175-Q177 VanDerWaalsContact C-N 3.29Å; K175-Q177 PolarHBondContact O-N 3.41Å; Q177-D179 VanDerWaalsContact C-N 3.27Å; Q177-D179 PolarHBondContact O-N 3.45Å; Q177-I180 PolarHBondContact O-N 3.26Å; Q177-I181 PolarHBondContact O-N 3.23Å; Q177-N208 PolarHBondContact NE2-O 2.61Å; Q177-T209 HydrophobicContact CB-CG2 4.15Å; Q177-T209 HydrophobicContact CG-CG2 3.78Å; Q177-T209 PolarHBondContact NE2-OG1 2.89Å; Q177-T209 VanDerWaalsContact NE2-OG1 3.11Å
178	E	95	Very high	91.5	Very high	101 Å²	101	69.5 Å²	69.5	47%	0.472	37%	0.367	S	S	.	.	H	α-helix	trans	-61.5	-34.7	175.5	-72.3	170.9	-163.5	0	0	112.8	S174 K175 K191	S174-E178 WeakPolarHBondContact O-CG 3.43Å; S174-E178 PolarHBondContact O-N 3.11Å; K175-E178 IonicContact NZ-OE2 3.89Å; K175-E178 PolarHBondContact NZ-OE2 3.28Å; K175-E178 PolarHBondContact O-N 2.9Å; E178-K191 PolarHBondContact O-NZ 2.83Å
179	D	95.2	Very high	91.4	Very high	57 Å²	57	71.4 Å²	71.4	31%	0.305	38%	0.38	S	S	.	.	H	α-helix	trans	-71.5	-32.8	-179.3	-71.9	-16.5	0	0	0	111.7	K171 K175 E176 Q177	K171-D179 VanDerWaalsContact CD-OD2 3.32Å; K171-D179 WeakPolarHBondContact CD-OD2 3.44Å; K171-D179 WeakPolarHBondContact CE-OD2 3.3Å; K171-D179 IonicContact NZ-OD1 3.67Å; K171-D179 IonicContact NZ-OD2 2.67Å; K171-D179 PolarHBondContact NZ-OD2 3.13Å; K175-D179 WeakPolarHBondContact CE-OD1 3.35Å; K175-D179 WeakPolarHBondContact O-CB 3.16Å; K175-D179 PolarHBondContact O-N 3.06Å; E176-D179 PolarHBondContact O-N 3.37Å; Q177-D179 VanDerWaalsContact C-N 3.27Å; Q177-D179 PolarHBondContact O-N 3.45Å
180	I	95.7	Very high	91.5	Very high	2 Å²	2	71.3 Å²	71.3	1%	0.01	37%	0.373	C	S	.	.	H	α-helix	trans	-99.9	-29.6	-176	72.5	-162.8	0	0	0	114.1	L167 E176 Q177 V190 K191 V192 T209 F212	L167-I180 HydrophobicContact CD1-CD1 4.1Å; L167-I180 HydrophobicContact CD2-CD1 3.8Å; L167-I180 HydrophobicContact CD2-CG2 3.85Å; E176-I180 WeakPolarHBondContact O-CG1 3.43Å; E176-I180 PolarHBondContact O-N 2.91Å; Q177-I180 PolarHBondContact O-N 3.26Å; I180-V190 WeakPolarHBondContact O-CG1 3.3Å; I180-K191 PolarHBondContact O-N 3.18Å; I180-V192 HydrophobicContact CB-CG2 4.1Å; I180-V192 HydrophobicContact CG2-CG1 4.37Å; I180-V192 HydrophobicContact CG2-CG2 4.13Å; I180-T209 HydrophobicContact CD1-CG2 4.3Å; I180-F212 HydrophobicContact CD1-CD2 3.68Å; I180-F212 HydrophobicContact CD1-CE2 3.87Å; I180-F212 HydrophobicContact CD1-CG 4.46Å; I180-F212 HydrophobicContact CG1-CD2 4.28Å
181	I	95	Very high	91.8	Very high	14 Å²	14	72.6 Å²	72.6	7%	0.072	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	142.1	-178.5	-57.1	-53.2	0	0	0	110.8	Q177 Y188 V190 K191 T209 F212	Q177-I181 PolarHBondContact O-N 3.23Å; I181-Y188 HydrophobicContact CG2-CD1 3.63Å; I181-Y188 HydrophobicContact CG2-CG 4.4Å; I181-V190 HydrophobicContact CD1-CG2 4.04Å; I181-K191 VanDerWaalsContact O-CE 3.25Å; I181-K191 WeakPolarHBondContact O-CE 3.11Å; I181-K191 PolarHBondContact O-NZ 3.28Å; I181-T209 HydrophobicContact CG1-CG2 3.8Å; I181-F212 HydrophobicContact CD1-CB 4.31Å
182	N	92.6	Very high	92	Very high	62 Å²	62	67.9 Å²	67.9	33%	0.332	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	137.6	162.6	-156.9	15.4	0	0	0	109.4	T184 Y188 S189 K191	N182-T184 WeakPolarHBondContact ND2-CG2 3.25Å; N182-Y188 WeakPolarHBondContact O-CA 3.42Å; N182-S189 WeakPolarHBondContact CB-OG 3.39Å; N182-S189 PolarHBondContact N-O 3.22Å; N182-S189 PolarHBondContact O-N 3.28Å; N182-K191 HydrophobicContact CB-CD 4.37Å; N182-K191 HydrophobicContact CB-CG 4.12Å
183	L	88.4	Confident	92.2	Very high	105 Å²	105	64.2 Å²	64.2	55%	0.55	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	111.7	171.2	178	60.3	0	0	0	107.9	Y188	L183-Y188 HydrophobicContact CB-CD1 4.43Å; L183-Y188 HydrophobicContact CB-CE1 4.37Å; L183-Y188 HydrophobicContact CD1-CD1 3.86Å; L183-Y188 HydrophobicContact CD1-CE1 3.65Å; L183-Y188 HydrophobicContact CD1-CG 4.41Å; L183-Y188 HydrophobicContact CD2-CE1 4.43Å; L183-Y188 HydrophobicContact CG-CE1 4.36Å
184	T	84.3	Confident	92.2	Very high	57 Å²	57	61.8 Å²	61.8	35%	0.35	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	124.2	-178.7	47.6	0	0	0	0	109.5	N182 E186 S187	N182-T184 WeakPolarHBondContact ND2-CG2 3.25Å; T184-E186 VanDerWaalsContact C-N 3.28Å; T184-E186 PolarHBondContact O-N 3.33Å; T184-S187 PolarHBondContact N-O 2.93Å; T184-S187 WeakPolarHBondContact O-CA 3.27Å; T184-S187 PolarHBondContact O-N 3.38Å; T184-S187 VanDerWaalsContact O-O 3.1Å; T184-S187 PolarHBondContact O-OG 3.15Å
185	N	79	Confident	92.3	Very high	163 Å²	163	58.4 Å²	58.4	87%	0.872	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	44	53.1	176.7	-60	-5.2	0	0	0	112.4	S187	N185-S187 PolarHBondContact O-N 3.32Å
186	E	80	Confident	92.4	Very high	192 Å²	192	54.4 Å²	54.4	90%	0.897	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	1.6	-179.3	-53.5	-177.9	160.6	0	0	116.3	T184	T184-E186 VanDerWaalsContact C-N 3.28Å; T184-E186 PolarHBondContact O-N 3.33Å
187	S	86.6	Confident	92.4	Very high	65 Å²	65	54.3 Å²	54.3	46%	0.455	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.5	175.3	68.9	0	0	0	0	111.6	T184 N185	T184-S187 PolarHBondContact N-O 2.93Å; T184-S187 WeakPolarHBondContact O-CA 3.27Å; T184-S187 PolarHBondContact O-N 3.38Å; T184-S187 VanDerWaalsContact O-O 3.1Å; T184-S187 PolarHBondContact O-OG 3.15Å; N185-S187 PolarHBondContact O-N 3.32Å
188	Y	87.6	Confident	92.4	Very high	121 Å²	121	53.2 Å²	53.2	48%	0.475	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129.5	172.2	-64	-76	0	0	0	110.3	I181 N182 L183 P210	I181-Y188 HydrophobicContact CG2-CD1 3.63Å; I181-Y188 HydrophobicContact CG2-CG 4.4Å; N182-Y188 WeakPolarHBondContact O-CA 3.42Å; L183-Y188 HydrophobicContact CB-CD1 4.43Å; L183-Y188 HydrophobicContact CB-CE1 4.37Å; L183-Y188 HydrophobicContact CD1-CD1 3.86Å; L183-Y188 HydrophobicContact CD1-CE1 3.65Å; L183-Y188 HydrophobicContact CD1-CG 4.41Å; L183-Y188 HydrophobicContact CD2-CE1 4.43Å; L183-Y188 HydrophobicContact CG-CE1 4.36Å; Y188-P210 HydrophobicContact CD1-CB 4.34Å; Y188-P210 HydrophobicContact CD2-CB 4.37Å; Y188-P210 HydrophobicContact CE1-CB 3.67Å; Y188-P210 HydrophobicContact CE2-CB 3.72Å; Y188-P210 WeakPolarHBondContact OH-CB 3.23Å
189	S	90.6	Very high	92.4	Very high	49 Å²	49	49 Å²	49	34%	0.343	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	144.8	171.6	58.8	0	0	0	0	110.9	N182	N182-S189 WeakPolarHBondContact CB-OG 3.39Å; N182-S189 PolarHBondContact N-O 3.22Å; N182-S189 PolarHBondContact O-N 3.28Å
190	V	93.4	Very high	92.3	Very high	26 Å²	26	47.3 Å²	47.3	16%	0.158	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	134.1	-176.9	-172.1	0	0	0	0	110.7	R132 I134 I180 I181 V192	R132-V190 VanDerWaalsContact CD-O 3.29Å; R132-V190 WeakPolarHBondContact CD-O 3.45Å; R132-V190 WeakPolarHBondContact CG-O 3.3Å; I134-V190 HydrophobicContact CD1-CG1 4.07Å; I134-V190 HydrophobicContact CG1-CG1 3.81Å; I180-V190 WeakPolarHBondContact O-CG1 3.3Å; I181-V190 HydrophobicContact CD1-CG2 4.04Å; V190-V192 HydrophobicContact CG1-CG2 3.88Å; V190-V192 WeakPolarHBondContact CG1-O 3.4Å
191	K	94.9	Very high	92.2	Very high	77 Å²	77	49 Å²	49	34%	0.335	26%	0.259	S	S	.	.			trans	-90	-8.8	179.6	-65.7	179.7	-178.9	168.6	0	114.1	R132 Q163 E178 I180 I181 N182	R132-K191 VanDerWaalsContact CD-C 3.46Å; R132-K191 WeakPolarHBondContact CD-O 3.33Å; Q163-K191 WeakPolarHBondContact CB-O 2.74Å; Q163-K191 WeakPolarHBondContact CG-O 3.36Å; E178-K191 PolarHBondContact O-NZ 2.83Å; I180-K191 PolarHBondContact O-N 3.18Å; I181-K191 VanDerWaalsContact O-CE 3.25Å; I181-K191 WeakPolarHBondContact O-CE 3.11Å; I181-K191 PolarHBondContact O-NZ 3.28Å; N182-K191 HydrophobicContact CB-CD 4.37Å; N182-K191 HydrophobicContact CB-CG 4.12Å
192	V	96.9	Very high	92.3	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.03	26%	0.256	C	S	.	.			trans	-125.8	150.2	-174.3	-61.6	0	0	0	0	113.2	F133 I134 Q163 I180 V190 V195	F133-V192 CarbonylContact C-O 3.56Å; I134-V192 HydrophobicContact CG1-CG2 4.24Å; Q163-V192 HydrophobicContact CB-CG1 4.38Å; I180-V192 HydrophobicContact CB-CG2 4.1Å; I180-V192 HydrophobicContact CG2-CG1 4.37Å; I180-V192 HydrophobicContact CG2-CG2 4.13Å; V190-V192 HydrophobicContact CG1-CG2 3.88Å; V190-V192 WeakPolarHBondContact CG1-O 3.4Å; V192-V195 HydrophobicContact CG2-CG2 3.73Å
193	D	97.4	Very high	92.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-101.9	-33.3	175.7	-64	-69.7	0	0	0	112.7	R129 R132 F133 I134 R135 A136 I162 Q163	R129-D193 WeakPolarHBondContact CD-OD1 3.28Å; R129-D193 IonicContact CZ-OD1 2.76Å; R129-D193 IonicContact CZ-OD2 2.71Å; R129-D193 VanDerWaalsContact CZ-OD2 3.25Å; R129-D193 IonicContact NE-OD1 3.63Å; R129-D193 PolarHBondContact NE-OD1 2.92Å; R129-D193 IonicContact NE-OD2 3.88Å; R129-D193 PolarHBondContact NE-OD2 2.93Å; R129-D193 IonicContact NH2-OD1 3.63Å; R129-D193 IonicContact NH2-OD2 2.64Å; R129-D193 PolarHBondContact NH2-OD2 3.17Å; R132-D193 WeakPolarHBondContact CA-OD1 3.47Å; R132-D193 IonicContact NE-OD2 3.62Å; F133-D193 PolarHBondContact N-OD1 2.75Å; F133-D193 WeakPolarHBondContact O-CA 3.38Å; I134-D193 WeakPolarHBondContact CA-O 3.48Å; R135-D193 PolarHBondContact N-O 3.47Å; A136-D193 PolarHBondContact N-O 2.86Å; I162-D193 HydrophobicContact CG2-CB 4.07Å; Q163-D193 PolarHBondContact N-OD2 3Å; Q163-D193 PolarHBondContact O-N 2.8Å
194	I	98.5	Very high	92.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.2	-175.8	-56.1	179	0	0	0	107.5	I122 I123 F126 A136 I138 F153 I162 Q163 V164 G165	I122-I194 HydrophobicContact CG2-CD1 3.93Å; I122-I194 HydrophobicContact CG2-CG1 4.5Å; I123-I194 HydrophobicContact CG1-CD1 4.33Å; F126-I194 HydrophobicContact CD2-CD1 4.15Å; F126-I194 HydrophobicContact CD2-CG1 3.99Å; F126-I194 HydrophobicContact CE2-CD1 4.38Å; F126-I194 HydrophobicContact CE2-CG1 3.93Å; A136-I194 HydrophobicContact CB-CG1 4.28Å; A136-I194 HydrophobicContact CB-CG2 4.26Å; A136-I194 WeakPolarHBondContact O-CA 3.28Å; I138-I194 HydrophobicContact CD1-CG2 3.31Å; F153-I194 HydrophobicContact CD1-CD1 3.71Å; F153-I194 HydrophobicContact CD1-CG2 4.18Å; F153-I194 HydrophobicContact CE1-CD1 3.84Å; F153-I194 HydrophobicContact CE1-CG2 4.12Å; I162-I194 HydrophobicContact CG2-CD1 4.12Å; I162-I194 HydrophobicContact CG2-CG1 4.47Å; Q163-I194 PolarHBondContact O-N 2.88Å; Q163-I194 VanDerWaalsContact O-N 3.17Å; V164-I194 CarbonylContact C-O 3.59Å; V164-I194 WeakPolarHBondContact CA-O 3.25Å; V164-I194 HydrophobicContact CG1-CB 4.27Å; V164-I194 HydrophobicContact CG1-CG2 4.27Å; V164-I194 HydrophobicContact CG2-CB 4.27Å; V164-I194 HydrophobicContact CG2-CD1 4.35Å; G165-I194 PolarHBondContact N-O 2.82Å
195	V	98.5	Very high	93.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.6	175.9	173.3	0	0	0	0	109.3	I134 A136 L137 I138 L167 V192 A197 F212	I134-V195 HydrophobicContact CD1-CG2 3.9Å; I134-V195 HydrophobicContact CG1-CG2 3.95Å; I134-V195 HydrophobicContact CG2-CB 4.34Å; I134-V195 HydrophobicContact CG2-CG2 3.91Å; A136-V195 PolarHBondContact O-N 2.84Å; L137-V195 CarbonylContact C-O 3.57Å; L137-V195 WeakPolarHBondContact CA-O 3.11Å; L137-V195 HydrophobicContact CD1-CB 3.99Å; L137-V195 HydrophobicContact CD1-CG1 3.79Å; I138-V195 PolarHBondContact N-O 2.8Å; L167-V195 HydrophobicContact CD1-CG1 3.61Å; L167-V195 HydrophobicContact CG-CG1 3.94Å; V192-V195 HydrophobicContact CG2-CG2 3.73Å; V195-A197 HydrophobicContact CG1-CB 4.25Å; V195-F212 HydrophobicContact CG2-CE2 4.35Å
196	I	98.5	Very high	94	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	121.7	171.4	-59.7	155.9	0	0	0	107.3	I138 V140 A146 V149 Y150 F153 V164 G165 V166 L167	I138-I196 HydrophobicContact CB-CG1 4.05Å; I138-I196 HydrophobicContact CD1-CG1 4.07Å; I138-I196 HydrophobicContact CG1-CG1 4.39Å; I138-I196 CarbonylContact O-C 3.5Å; I138-I196 WeakPolarHBondContact O-CA 3.41Å; V140-I196 HydrophobicContact CG1-CG2 4.43Å; V140-I196 HydrophobicContact CG2-CG2 4.32Å; A146-I196 HydrophobicContact CB-CG2 4.02Å; V149-I196 HydrophobicContact CB-CD1 4.34Å; V149-I196 HydrophobicContact CB-CG2 4.3Å; V149-I196 HydrophobicContact CG1-CD1 3.78Å; V149-I196 HydrophobicContact CG1-CG1 4.07Å; V149-I196 HydrophobicContact CG1-CG2 4.24Å; Y150-I196 HydrophobicContact CD2-CD1 4.36Å; F153-I196 HydrophobicContact CD2-CD1 4Å; F153-I196 HydrophobicContact CG-CD1 4.47Å; V164-I196 HydrophobicContact CG1-CD1 3.82Å; G165-I196 PolarHBondContact O-N 2.93Å; V166-I196 CarbonylContact C-O 3.56Å; V166-I196 VanDerWaalsContact CA-O 3.28Å; V166-I196 WeakPolarHBondContact CA-O 3.5Å; L167-I196 PolarHBondContact N-O 3.26Å
197	A	96.9	Very high	94.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	151.5	-171.7	0	0	0	0	0	113	L137 I138 I139 V140 L167 V195 L202	L137-A197 HydrophobicContact CD1-CB 4.28Å; I138-A197 PolarHBondContact O-N 3.3Å; I139-A197 WeakPolarHBondContact CA-O 3.17Å; I139-A197 HydrophobicContact CD1-CB 4.36Å; V140-A197 PolarHBondContact N-O 2.74Å; L167-A197 HydrophobicContact CB-CB 3.95Å; L167-A197 VanDerWaalsContact O-CA 3.26Å; L167-A197 WeakPolarHBondContact O-CA 3.43Å; V195-A197 HydrophobicContact CG1-CB 4.25Å; A197-L202 HydrophobicContact CB-CB 4.08Å
198	T	94.8	Very high	95.1	Very high	22 Å²	22	33.7 Å²	33.7	14%	0.135	17%	0.167	C	C	.	.			trans	-84.3	148.3	160.8	56.1	0	0	0	0	109.8	V140 L167 A168 G200 R201 L202	V140-T198 HydrophobicContact CG2-CG2 4.31Å; V140-T198 WeakPolarHBondContact O-CA 3.44Å; L167-T198 PolarHBondContact O-N 2.83Å; L167-T198 VanDerWaalsContact O-N 3.11Å; A168-T198 HydrophobicContact CB-CG2 3.98Å; T198-G200 PolarHBondContact O-N 3.08Å; T198-R201 PolarHBondContact O-N 3.02Å; T198-R201 VanDerWaalsContact O-N 3.13Å; T198-R201 VanDerWaalsContact OG1-CB 3.32Å; T198-R201 WeakPolarHBondContact OG1-CB 3.35Å; T198-L202 PolarHBondContact O-N 3.12Å
199	P	94.9	Very high	95.4	Very high	12 Å²	12	28.3 Å²	28.3	8%	0.078	15%	0.146	C	C	.	.	H	α-helix	trans	-47.7	-55.2	-176.4	-34.9	37.1	0	0	0	115.4	I139 V140 R201 L202 V203 V228 W236	I139-P199 HydrophobicContact CG2-CG 3.76Å; V140-P199 VanDerWaalsContact O-CD 3.26Å; V140-P199 WeakPolarHBondContact O-CD 3.39Å; P199-R201 VanDerWaalsContact C-N 3.31Å; P199-R201 PolarHBondContact O-N 3.1Å; P199-L202 WeakPolarHBondContact O-CB 3.39Å; P199-L202 PolarHBondContact O-N 2.81Å; P199-V203 WeakPolarHBondContact O-CG2 3.38Å; P199-V203 PolarHBondContact O-N 3.41Å; P199-V228 HydrophobicContact CG-CG1 3.98Å; P199-W236 HydrophobicContact CB-CB 4.01Å; P199-W236 HydrophobicContact CB-CD2 4.17Å; P199-W236 HydrophobicContact CB-CG 3.62Å; P199-W236 HydrophobicContact CG-CG 4.42Å
200	G	93.4	Very high	95.5	Very high	21 Å²	21	29.3 Å²	29.3	22%	0.216	15%	0.152	C	C	.	.	H	α-helix	trans	-66.9	-34.2	-177.4	0	0	0	0	0	112.8	T198 V203 D204 Q234	T198-G200 PolarHBondContact O-N 3.08Å; G200-V203 PolarHBondContact O-N 3.26Å; G200-D204 PolarHBondContact O-N 2.87Å; G200-D204 VanDerWaalsContact O-N 3.08Å; G200-Q234 PolarHBondContact O-OE1 3.04Å
201	R	94.6	Very high	95.3	Very high	39 Å²	39	29.5 Å²	29.5	15%	0.147	16%	0.159	C	C	.	.	H	α-helix	trans	-71.8	-34.7	178.7	-169.4	49.5	158.7	-166.3	-8.6	112.5	L167 F173 E176 T198 P199 V203 D204 H205	L167-R201 VanDerWaalsContact C-CG 3.46Å; L167-R201 HydrophobicContact CB-CG 4.1Å; L167-R201 WeakPolarHBondContact O-CB 3.48Å; L167-R201 VanDerWaalsContact O-CG 3.27Å; L167-R201 WeakPolarHBondContact O-CG 3.47Å; F173-R201 VanDerWaalsContact CB-NH2 3.27Å; E176-R201 IonicContact OE2-CZ 2.84Å; E176-R201 IonicContact OE2-NE 3.25Å; E176-R201 PolarHBondContact OE2-NE 3.14Å; E176-R201 IonicContact OE2-NH2 3.48Å; E176-R201 PolarHBondContact OE2-NH2 3.06Å; T198-R201 PolarHBondContact O-N 3.02Å; T198-R201 VanDerWaalsContact O-N 3.13Å; T198-R201 VanDerWaalsContact OG1-CB 3.32Å; T198-R201 WeakPolarHBondContact OG1-CB 3.35Å; P199-R201 VanDerWaalsContact C-N 3.31Å; P199-R201 PolarHBondContact O-N 3.1Å; R201-V203 VanDerWaalsContact C-N 3.31Å; R201-D204 IonicContact NH1-OD2 3.95Å; R201-D204 PolarHBondContact NH1-OD2 3.28Å; R201-D204 PolarHBondContact O-N 2.79Å; R201-H205 PolarHBondContact O-CD2 3.13Å; R201-H205 VanDerWaalsContact O-CD2 3.24Å; R201-H205 PolarHBondContact O-N 2.91Å
202	L	96.4	Very high	95.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-56.1	-49.3	169.6	170.2	70.6	0	0	0	110.5	L137 I139 A197 T198 P199 D204 H205 L206 F212 M214 W236	L137-L202 HydrophobicContact CD1-CD1 4.18Å; L137-L202 HydrophobicContact CD2-CD1 4.04Å; L137-L202 HydrophobicContact CD2-CD2 4.01Å; I139-L202 HydrophobicContact CD1-CD2 3.77Å; A197-L202 HydrophobicContact CB-CB 4.08Å; T198-L202 PolarHBondContact O-N 3.12Å; P199-L202 WeakPolarHBondContact O-CB 3.39Å; P199-L202 PolarHBondContact O-N 2.81Å; L202-D204 VanDerWaalsContact C-N 3.35Å; L202-D204 PolarHBondContact O-N 2.77Å; L202-H205 PolarHBondContact O-N 3.4Å; L202-H205 VanDerWaalsContact O-N 3.13Å; L202-L206 HydrophobicContact CD1-CD1 4.15Å; L202-L206 HydrophobicContact CD1-CD2 4.46Å; L202-L206 HydrophobicContact CD1-CG 4.1Å; L202-L206 HydrophobicContact CD2-CD1 4.35Å; L202-L206 HydrophobicContact CG-CD1 3.88Å; L202-L206 HydrophobicContact CG-CG 4.23Å; L202-L206 WeakPolarHBondContact O-CG 3.26Å; L202-L206 PolarHBondContact O-N 2.83Å; L202-F212 HydrophobicContact CD1-CE1 4.1Å; L202-F212 HydrophobicContact CD1-CZ 4.3Å; L202-M214 HydrophobicContact CD1-CE 3.77Å; L202-W236 HydrophobicContact CD2-CE3 4.01Å
203	V	95.3	Very high	94.9	Very high	9 Å²	9	28.8 Å²	28.8	6%	0.055	16%	0.163	C	C	.	.	H	α-helix	trans	-59	-45.9	-179.5	175.6	0	0	0	0	111.1	P199 G200 R201 H205 L206 Y207 W236 T239	P199-V203 WeakPolarHBondContact O-CG2 3.38Å; P199-V203 PolarHBondContact O-N 3.41Å; G200-V203 PolarHBondContact O-N 3.26Å; R201-V203 VanDerWaalsContact C-N 3.31Å; V203-H205 VanDerWaalsContact C-N 3.27Å; V203-H205 PolarHBondContact O-N 3.35Å; V203-L206 PolarHBondContact O-N 3.14Å; V203-Y207 HydrophobicContact CG1-CD2 3.67Å; V203-Y207 HydrophobicContact CG1-CE2 3.56Å; V203-Y207 VanDerWaalsContact O-CD2 3.3Å; V203-Y207 WeakPolarHBondContact O-CD2 3.43Å; V203-Y207 PolarHBondContact O-N 2.83Å; V203-Y207 VanDerWaalsContact O-N 3.16Å; V203-W236 HydrophobicContact CG2-CB 3.56Å; V203-T239 HydrophobicContact CG1-CG2 4.47Å
204	D	95.5	Very high	94.5	Very high	51 Å²	51	28.8 Å²	28.8	27%	0.273	16%	0.163	S	C	.	.	H	α-helix	trans	-53.9	-44.3	175.3	-65.7	-20.6	0	0	0	112	F173 G200 R201 L202 N208	F173-D204 HydrophobicContact CE2-CB 3.95Å; F173-D204 HydrophobicContact CZ-CB 4.5Å; G200-D204 PolarHBondContact O-N 2.87Å; G200-D204 VanDerWaalsContact O-N 3.08Å; R201-D204 IonicContact NH1-OD2 3.95Å; R201-D204 PolarHBondContact NH1-OD2 3.28Å; R201-D204 PolarHBondContact O-N 2.79Å; L202-D204 VanDerWaalsContact C-N 3.35Å; L202-D204 PolarHBondContact O-N 2.77Å; D204-N208 VanDerWaalsContact O-CB 3.29Å; D204-N208 WeakPolarHBondContact O-CB 3.32Å; D204-N208 PolarHBondContact O-N 3.32Å; D204-N208 PolarHBondContact O-ND2 3.18Å
205	H	96.3	Very high	93.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-73.4	-36.4	-179	-80.8	-75.7	0	0	0	113	L167 F173 E176 R201 L202 V203 Y207 T209 F212	L167-H205 HydrophobicContact CD1-CB 4.21Å; F173-H205 AromaticContact CD2-CE1 3.51Å; F173-H205 AromaticContact CD2-NE2 3.53Å; F173-H205 AromaticContact CE2-CD2 3.73Å; F173-H205 AromaticContact CE2-CE1 3.29Å; F173-H205 WeakPolarHBondContact CE2-CE1 3.4Å; F173-H205 AromaticContact CE2-CG 3.72Å; F173-H205 AromaticContact CE2-ND1 3.46Å; F173-H205 WeakPolarHBondContact CE2-ND1 3.48Å; F173-H205 AromaticContact CE2-NE2 3.46Å; F173-H205 WeakPolarHBondContact CE2-NE2 3.34Å; E176-H205 IonicContact OE2-NE2 2.58Å; E176-H205 PolarHBondContact OE2-NE2 3.04Å; R201-H205 PolarHBondContact O-CD2 3.13Å; R201-H205 VanDerWaalsContact O-CD2 3.24Å; R201-H205 PolarHBondContact O-N 2.91Å; L202-H205 PolarHBondContact O-N 3.4Å; L202-H205 VanDerWaalsContact O-N 3.13Å; V203-H205 VanDerWaalsContact C-N 3.27Å; V203-H205 PolarHBondContact O-N 3.35Å; H205-Y207 VanDerWaalsContact C-N 3.27Å; H205-Y207 PolarHBondContact O-N 2.66Å; H205-T209 WeakPolarHBondContact CA-OG1 3.38Å; H205-T209 PolarHBondContact ND1-OG1 3.23Å; H205-T209 WeakPolarHBondContact O-CB 3.41Å; H205-T209 PolarHBondContact O-N 2.97Å; H205-T209 PolarHBondContact O-OG1 3.41Å; H205-F212 HydrophobicContact CB-CD1 3.82Å; H205-F212 HydrophobicContact CB-CE1 3.7Å; H205-F212 HydrophobicContact CB-CG 4.4Å; H205-F212 HydrophobicContact CB-CZ 4.21Å
206	L	94.1	Very high	93.4	Very high	24 Å²	24	34.5 Å²	34.5	13%	0.126	19%	0.186	C	C	.	.	H	α-helix	trans	-59.8	-37.9	175.2	-71.6	173.8	0	0	0	112.1	L202 V203 F212 M214 T239 L240 V243	L202-L206 HydrophobicContact CD1-CD1 4.15Å; L202-L206 HydrophobicContact CD1-CD2 4.46Å; L202-L206 HydrophobicContact CD1-CG 4.1Å; L202-L206 HydrophobicContact CD2-CD1 4.35Å; L202-L206 HydrophobicContact CG-CD1 3.88Å; L202-L206 HydrophobicContact CG-CG 4.23Å; L202-L206 WeakPolarHBondContact O-CG 3.26Å; L202-L206 PolarHBondContact O-N 2.83Å; V203-L206 PolarHBondContact O-N 3.14Å; L206-F212 HydrophobicContact CD2-CD1 4.01Å; L206-F212 HydrophobicContact CD2-CE1 3.87Å; L206-F212 HydrophobicContact CG-CD1 4.49Å; L206-F212 HydrophobicContact CG-CE1 4.21Å; L206-M214 HydrophobicContact CD2-CE 4.42Å; L206-M214 HydrophobicContact CD2-CG 3.74Å; L206-T239 HydrophobicContact CD1-CG2 4.11Å; L206-L240 HydrophobicContact CD1-CD1 4.48Å; L206-V243 HydrophobicContact CD2-CG1 4.25Å; L206-V243 HydrophobicContact CD2-CG2 4.42Å
207	Y	92.7	Very high	93.2	Very high	150 Å²	150	34.5 Å²	34.5	59%	0.588	19%	0.186	S	C	*	.	H	α-helix	trans	-87.7	-42.3	179.9	-72.7	-63	0	0	0	113.8	V203 H205 T239	V203-Y207 HydrophobicContact CG1-CD2 3.67Å; V203-Y207 HydrophobicContact CG1-CE2 3.56Å; V203-Y207 VanDerWaalsContact O-CD2 3.3Å; V203-Y207 WeakPolarHBondContact O-CD2 3.43Å; V203-Y207 PolarHBondContact O-N 2.83Å; V203-Y207 VanDerWaalsContact O-N 3.16Å; H205-Y207 VanDerWaalsContact C-N 3.27Å; H205-Y207 PolarHBondContact O-N 2.66Å; Y207-T239 HydrophobicContact CE2-CG2 3.68Å; Y207-T239 WeakPolarHBondContact OH-CG2 3.05Å
208	N	95	Very high	92.9	Very high	101 Å²	101	39.1 Å²	39.1	54%	0.54	20%	0.204	S	C	.	.	H	α-helix	trans	-109.7	4.9	-164.9	-55.4	-61	0	0	0	113.8	F173 Q177 D204 P210	F173-N208 HydrophobicContact CE1-CB 3.9Å; F173-N208 HydrophobicContact CZ-CB 3.73Å; Q177-N208 PolarHBondContact NE2-O 2.61Å; D204-N208 VanDerWaalsContact O-CB 3.29Å; D204-N208 WeakPolarHBondContact O-CB 3.32Å; D204-N208 PolarHBondContact O-N 3.32Å; D204-N208 PolarHBondContact O-ND2 3.18Å; N208-P210 WeakPolarHBondContact O-CD 3.15Å
209	T	95.1	Very high	93	Very high	8 Å²	8	38.1 Å²	38.1	5%	0.049	20%	0.198	C	C	.	.			trans	-114.5	99.8	177	-51.1	0	0	0	0	111.8	Q177 I180 I181 H205 G211 F212	Q177-T209 HydrophobicContact CB-CG2 4.15Å; Q177-T209 HydrophobicContact CG-CG2 3.78Å; Q177-T209 PolarHBondContact NE2-OG1 2.89Å; Q177-T209 VanDerWaalsContact NE2-OG1 3.11Å; I180-T209 HydrophobicContact CD1-CG2 4.3Å; I181-T209 HydrophobicContact CG1-CG2 3.8Å; H205-T209 WeakPolarHBondContact CA-OG1 3.38Å; H205-T209 PolarHBondContact ND1-OG1 3.23Å; H205-T209 WeakPolarHBondContact O-CB 3.41Å; H205-T209 PolarHBondContact O-N 2.97Å; H205-T209 PolarHBondContact O-OG1 3.41Å; T209-G211 PolarHBondContact O-N 3.07Å; T209-F212 HydrophobicContact CG2-CB 3.89Å; T209-F212 VanDerWaalsContact O-CB 3.26Å; T209-F212 WeakPolarHBondContact O-CB 3.27Å; T209-F212 PolarHBondContact O-N 2.85Å; T209-F212 VanDerWaalsContact O-N 3.14Å
210	P	91.6	Very high	93.1	Very high	71 Å²	71	37.6 Å²	37.6	46%	0.461	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	135.4	173.9	-26.9	36.2	0	0	0	112	Y188 N208 F212	Y188-P210 HydrophobicContact CD1-CB 4.34Å; Y188-P210 HydrophobicContact CD2-CB 4.37Å; Y188-P210 HydrophobicContact CE1-CB 3.67Å; Y188-P210 HydrophobicContact CE2-CB 3.72Å; Y188-P210 WeakPolarHBondContact OH-CB 3.23Å; N208-P210 WeakPolarHBondContact O-CD 3.15Å; P210-F212 VanDerWaalsContact C-N 3.27Å; P210-F212 PolarHBondContact O-N 3.42Å
211	G	89.8	Confident	93.3	Very high	30 Å²	30	36.6 Å²	36.6	31%	0.309	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	-8	-178.3	0	0	0	0	0	115.8	T209 S213	T209-G211 PolarHBondContact O-N 3.07Å; G211-S213 VanDerWaalsContact C-N 3.3Å; G211-S213 PolarHBondContact O-N 3.35Å
212	F	93.5	Very high	93.4	Very high	12 Å²	12	34.7 Å²	34.7	5%	0.053	18%	0.177	C	C	.	.			trans	-76.6	79.7	175.6	-173.2	-110.5	0	0	0	111.2	I134 L167 I180 I181 V195 L202 H205 L206 T209 P210 M214	I134-F212 HydrophobicContact CD1-CD2 3.69Å; I134-F212 HydrophobicContact CD1-CE2 3.45Å; I134-F212 VanDerWaalsContact CD1-CE2 3.45Å; I134-F212 HydrophobicContact CD1-CZ 4.29Å; L167-F212 HydrophobicContact CD1-CE1 4.44Å; L167-F212 HydrophobicContact CD1-CE2 3.77Å; L167-F212 HydrophobicContact CD1-CZ 3.52Å; I180-F212 HydrophobicContact CD1-CD2 3.68Å; I180-F212 HydrophobicContact CD1-CE2 3.87Å; I180-F212 HydrophobicContact CD1-CG 4.46Å; I180-F212 HydrophobicContact CG1-CD2 4.28Å; I181-F212 HydrophobicContact CD1-CB 4.31Å; V195-F212 HydrophobicContact CG2-CE2 4.35Å; L202-F212 HydrophobicContact CD1-CE1 4.1Å; L202-F212 HydrophobicContact CD1-CZ 4.3Å; H205-F212 HydrophobicContact CB-CD1 3.82Å; H205-F212 HydrophobicContact CB-CE1 3.7Å; H205-F212 HydrophobicContact CB-CG 4.4Å; H205-F212 HydrophobicContact CB-CZ 4.21Å; L206-F212 HydrophobicContact CD2-CD1 4.01Å; L206-F212 HydrophobicContact CD2-CE1 3.87Å; L206-F212 HydrophobicContact CG-CD1 4.49Å; L206-F212 HydrophobicContact CG-CE1 4.21Å; T209-F212 HydrophobicContact CG2-CB 3.89Å; T209-F212 VanDerWaalsContact O-CB 3.26Å; T209-F212 WeakPolarHBondContact O-CB 3.27Å; T209-F212 PolarHBondContact O-N 2.85Å; T209-F212 VanDerWaalsContact O-N 3.14Å; P210-F212 VanDerWaalsContact C-N 3.27Å; P210-F212 PolarHBondContact O-N 3.42Å; F212-M214 HydrophobicContact CD1-CE 4.38Å; F212-M214 HydrophobicContact CE1-CE 3.43Å; F212-M214 VanDerWaalsContact CE1-CE 3.43Å; F212-M214 HydrophobicContact CE2-CE 3.98Å; F212-M214 HydrophobicContact CZ-CE 3.19Å
213	S	89.4	Confident	93.2	Very high	55 Å²	55	35 Å²	35	39%	0.385	18%	0.178	S	C	.	.			trans	-97.6	134.3	-177.8	179.3	0	0	0	0	112.9	G211 E215	G211-S213 VanDerWaalsContact C-N 3.3Å; G211-S213 PolarHBondContact O-N 3.35Å; S213-E215 WeakPolarHBondContact OG-CB 3.48Å; S213-E215 PolarHBondContact OG-N 2.95Å
214	M	90.7	Very high	92.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.179	C	C	.	.			trans	-96.5	6.7	172.7	-68.2	-67	171.2	0	0	113.2	I134 L137 L202 L206 F212 R216 L217 L240 V243 L244	I134-M214 HydrophobicContact CD1-CE 4.34Å; I134-M214 HydrophobicContact CG2-CE 4.31Å; I134-M214 HydrophobicContact CG2-SD 3.86Å; L137-M214 HydrophobicContact CD1-CE 4.3Å; L137-M214 HydrophobicContact CD2-CE 4.14Å; L137-M214 HydrophobicContact CD2-SD 4.23Å; L202-M214 HydrophobicContact CD1-CE 3.77Å; L206-M214 HydrophobicContact CD2-CE 4.42Å; L206-M214 HydrophobicContact CD2-CG 3.74Å; F212-M214 HydrophobicContact CD1-CE 4.38Å; F212-M214 HydrophobicContact CE1-CE 3.43Å; F212-M214 VanDerWaalsContact CE1-CE 3.43Å; F212-M214 HydrophobicContact CE2-CE 3.98Å; F212-M214 HydrophobicContact CZ-CE 3.19Å; M214-R216 PolarHBondContact O-N 3.25Å; M214-R216 VanDerWaalsContact O-N 3.07Å; M214-L217 HydrophobicContact CB-CB 4.45Å; M214-L217 WeakPolarHBondContact O-CB 3.49Å; M214-L217 PolarHBondContact O-N 2.98Å; M214-L217 HydrophobicContact SD-CB 4.5Å; M214-L217 HydrophobicContact SD-CD1 4.47Å; M214-L217 HydrophobicContact SD-CD2 4.29Å; M214-L240 HydrophobicContact CB-CD1 4.41Å; M214-L240 HydrophobicContact CG-CD1 4.04Å; M214-V243 HydrophobicContact CB-CG1 4.33Å; M214-L244 HydrophobicContact CB-CD2 3.54Å; M214-L244 WeakPolarHBondContact O-CD2 3.35Å
215	E	85.1	Confident	92.6	Very high	57 Å²	57	32.9 Å²	32.9	27%	0.266	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-37.2	-176.1	-173.3	-160.5	130.5	0	0	112.8	S213	S213-E215 WeakPolarHBondContact OG-CB 3.48Å; S213-E215 PolarHBondContact OG-N 2.95Å
216	R	88.5	Confident	92	Very high	62 Å²	62	33 Å²	33	23%	0.234	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	8.4	-177.1	-56.3	-55	172.1	127.5	-15.3	114.5	F133 I134 M214 R218 I281	F133-R216 HydrophobicContact CB-CB 3.9Å; F133-R216 HydrophobicContact CB-CG 4.25Å; F133-R216 HydrophobicContact CD1-CG 4.1Å; F133-R216 HydrophobicContact CD2-CG 4.32Å; F133-R216 HydrophobicContact CG-CB 4.2Å; F133-R216 HydrophobicContact CG-CG 3.98Å; I134-R216 CarbonylContact O-C 3.51Å; I134-R216 VanDerWaalsContact O-C 3.25Å; M214-R216 PolarHBondContact O-N 3.25Å; M214-R216 VanDerWaalsContact O-N 3.07Å; R216-R218 PolarHBondContact O-N 2.99Å; R216-I281 VanDerWaalsContact CD-CD1 3.47Å
217	L	93.1	Very high	91.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.163	C	C	.	.			trans	-63.1	119.2	179.8	-178.2	67.7	0	0	0	110.8	I134 L137 M214 I219 L240 L244 R264 L283	I134-L217 HydrophobicContact CG2-CD1 4.34Å; I134-L217 WeakPolarHBondContact O-CA 3.32Å; I134-L217 PolarHBondContact O-N 2.58Å; L137-L217 HydrophobicContact CB-CD1 3.46Å; L137-L217 VanDerWaalsContact CB-CD1 3.46Å; L137-L217 HydrophobicContact CB-CD2 4.08Å; L137-L217 HydrophobicContact CB-CG 4.42Å; L137-L217 HydrophobicContact CD2-CD2 4.17Å; M214-L217 HydrophobicContact CB-CB 4.45Å; M214-L217 WeakPolarHBondContact O-CB 3.49Å; M214-L217 PolarHBondContact O-N 2.98Å; M214-L217 HydrophobicContact SD-CB 4.5Å; M214-L217 HydrophobicContact SD-CD1 4.47Å; M214-L217 HydrophobicContact SD-CD2 4.29Å; L217-I219 WeakPolarHBondContact CD1-O 3.15Å; L217-L240 HydrophobicContact CD2-CD1 4.49Å; L217-L244 HydrophobicContact CB-CD2 4.24Å; L217-L244 HydrophobicContact CD2-CD1 4.19Å; L217-L244 HydrophobicContact CD2-CD2 4.33Å; L217-R264 VanDerWaalsContact O-CZ 3.27Å; L217-R264 PolarHBondContact O-NH1 3.35Å; L217-R264 PolarHBondContact O-NH2 3.46Å; L217-L283 HydrophobicContact CD2-CD1 4.01Å; L217-L283 HydrophobicContact CG-CD1 3.89Å
218	R	91.4	Very high	91.1	Very high	98 Å²	98	25.3 Å²	25.3	37%	0.37	14%	0.135	S	C	.	.			trans	-106.6	-26.6	-179.6	-71.9	-173.3	171.7	-169.2	-6	114	R135 R216 I281 L283 Q284	R135-R218 WeakPolarHBondContact O-CA 3.41Å; R135-R218 PolarHBondContact O-N 3.35Å; R216-R218 PolarHBondContact O-N 2.99Å; R218-I281 HydrophobicContact CG-CG2 4.22Å; R218-L283 WeakPolarHBondContact O-CA 3.26Å; R218-Q284 PolarHBondContact O-N 3.05Å
219	I	95.7	Very high	90.5	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	122.5	-174.6	-57.6	172.8	0	0	0	108.3	M86 Y90 I122 L125 F126 R135 A136 L137 L217 V221 Q284 I286	M86-I219 HydrophobicContact CE-CD1 3.79Å; M86-I219 HydrophobicContact CE-CG2 4.42Å; Y90-I219 WeakPolarHBondContact OH-CG1 3.21Å; I122-I219 HydrophobicContact CD1-CG2 4Å; I122-I219 HydrophobicContact CG1-CD1 3.9Å; I122-I219 HydrophobicContact CG1-CG2 4.18Å; L125-I219 HydrophobicContact CD1-CD1 4.02Å; F126-I219 HydrophobicContact CZ-CD1 4.39Å; R135-I219 PolarHBondContact O-N 2.95Å; A136-I219 CarbonylContact C-O 3.34Å; A136-I219 VanDerWaalsContact CA-O 3.3Å; A136-I219 WeakPolarHBondContact CA-O 3.25Å; A136-I219 HydrophobicContact CB-CB 4.31Å; L137-I219 PolarHBondContact N-O 2.91Å; L217-I219 WeakPolarHBondContact CD1-O 3.15Å; I219-V221 HydrophobicContact CG2-CG2 4.05Å; I219-Q284 WeakPolarHBondContact CA-O 3.42Å; I219-I286 HydrophobicContact CG2-CD1 3.93Å
220	L	97.5	Very high	89.8	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	115	170.1	173.1	63	0	0	0	108.2	L137 I139 I222 Y237 L240 L283 Q284 K285 I286	L137-L220 HydrophobicContact CB-CD1 4.19Å; L137-L220 HydrophobicContact CD2-CD1 4.02Å; L137-L220 HydrophobicContact CG-CD1 4.03Å; L137-L220 CarbonylContact O-C 3.59Å; L137-L220 WeakPolarHBondContact O-CA 3.15Å; I139-L220 HydrophobicContact CG1-CD1 3.82Å; L220-I222 HydrophobicContact CD1-CG1 4.49Å; L220-I222 HydrophobicContact CD2-CD1 4.39Å; L220-I222 HydrophobicContact CD2-CG1 4.47Å; L220-I222 HydrophobicContact CG-CG1 4.16Å; L220-Y237 HydrophobicContact CD2-CE2 4.04Å; L220-L240 HydrophobicContact CD1-CD2 4.18Å; L220-L240 HydrophobicContact CD2-CD2 4.01Å; L220-L283 HydrophobicContact CB-CD1 4.02Å; L220-Q284 PolarHBondContact N-O 3.36Å; L220-K285 CarbonylContact O-C 3.46Å; L220-K285 WeakPolarHBondContact O-CA 3.3Å; L220-I286 PolarHBondContact O-N 3.43Å
221	V	98	Very high	89.1	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	134.2	170.9	-174.9	0	0	0	0	108.5	Y118 I122 L137 I138 I139 I219 I286 V288	Y118-V221 HydrophobicContact CD1-CG1 4.03Å; Y118-V221 HydrophobicContact CD2-CB 4.41Å; Y118-V221 HydrophobicContact CD2-CG1 3.91Å; Y118-V221 HydrophobicContact CD2-CG2 3.89Å; Y118-V221 HydrophobicContact CE1-CG1 4.04Å; Y118-V221 HydrophobicContact CE2-CG1 3.94Å; Y118-V221 HydrophobicContact CE2-CG2 4.43Å; Y118-V221 HydrophobicContact CG-CG1 3.96Å; Y118-V221 HydrophobicContact CG-CG2 4.27Å; I122-V221 HydrophobicContact CD1-CG2 3.79Å; L137-V221 PolarHBondContact O-N 3.3Å; I138-V221 CarbonylContact C-O 3.46Å; I138-V221 WeakPolarHBondContact CA-O 3.48Å; I138-V221 HydrophobicContact CB-CB 4.33Å; I138-V221 HydrophobicContact CG1-CB 4.02Å; I138-V221 HydrophobicContact CG1-CG2 4.16Å; I138-V221 HydrophobicContact CG2-CB 4.13Å; I138-V221 HydrophobicContact CG2-CG1 4.25Å; I139-V221 PolarHBondContact N-O 3.25Å; I219-V221 HydrophobicContact CG2-CG2 4.05Å; V221-I286 CarbonylContact C-O 3.57Å; V221-I286 VanDerWaalsContact CA-O 3.3Å; V221-I286 WeakPolarHBondContact CA-O 3.19Å; V221-I286 HydrophobicContact CG2-CB 4.24Å; V221-I286 HydrophobicContact CG2-CD1 4.36Å; V221-V288 HydrophobicContact CG1-CG2 4.23Å
222	I	95.7	Very high	88.4	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	99.1	171.8	-48.1	179.2	0	0	0	106.5	L220 A225 V228 W236 I286 L287 V288 F302	L220-I222 HydrophobicContact CD1-CG1 4.49Å; L220-I222 HydrophobicContact CD2-CD1 4.39Å; L220-I222 HydrophobicContact CD2-CG1 4.47Å; L220-I222 HydrophobicContact CG-CG1 4.16Å; I222-A225 HydrophobicContact CB-CB 4.25Å; I222-A225 HydrophobicContact CG2-CB 3.86Å; I222-V228 HydrophobicContact CG2-CB 3.86Å; I222-V228 HydrophobicContact CG2-CG1 3.91Å; I222-V228 HydrophobicContact CG2-CG2 3.86Å; I222-W236 HydrophobicContact CD1-CH2 3.9Å; I222-W236 HydrophobicContact CD1-CZ2 4.38Å; I222-W236 HydrophobicContact CG1-CH2 4.26Å; I222-I286 PolarHBondContact N-O 3.03Å; I222-L287 HydrophobicContact CB-CG 4.41Å; I222-L287 HydrophobicContact CD1-CD1 4.12Å; I222-L287 HydrophobicContact CD1-CG 4.4Å; I222-L287 HydrophobicContact CG1-CD1 4.47Å; I222-V288 PolarHBondContact O-N 3.36Å; I222-F302 HydrophobicContact CD1-CD1 3.62Å; I222-F302 HydrophobicContact CD1-CD2 4.23Å; I222-F302 HydrophobicContact CD1-CE1 3.44Å; I222-F302 VanDerWaalsContact CD1-CE1 3.44Å; I222-F302 HydrophobicContact CD1-CE2 3.99Å; I222-F302 HydrophobicContact CD1-CG 4.02Å; I222-F302 HydrophobicContact CD1-CZ 3.61Å; I222-F302 HydrophobicContact CG2-CZ 4.29Å
223	D	93.8	Very high	87.5	Confident	6 Å²	6	33.6 Å²	33.6	3%	0.032	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	143	179.4	-167	17.9	0	0	0	110.9	I139 V140 P141 A225 V228 V288	I139-D223 PolarHBondContact O-N 3.22Å; V140-D223 HydrophobicContact CG1-CB 4.21Å; P141-D223 VanDerWaalsContact CD-O 3.3Å; P141-D223 WeakPolarHBondContact CD-O 3.09Å; D223-A225 PolarHBondContact O-N 2.97Å; D223-V228 WeakPolarHBondContact O-CG2 3.29Å; D223-V288 WeakPolarHBondContact OD1-CG1 3.27Å
224	E	88.9	Confident	87	Confident	16 Å²	16	36.3 Å²	36.3	8%	0.075	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	48.8	-164.9	-59	-89.8	-154.1	0	0	111	P141 L145 D226 R227 V228 V288 H490	P141-E224 HydrophobicContact CG-CB 3.86Å; P141-E224 HydrophobicContact CG-CG 4.49Å; L145-E224 HydrophobicContact CD2-CG 3.93Å; E224-D226 VanDerWaalsContact C-N 3.28Å; E224-D226 PolarHBondContact O-N 3.49Å; E224-R227 HydrophobicContact CB-CB 4.41Å; E224-R227 WeakPolarHBondContact O-CA 3.32Å; E224-R227 WeakPolarHBondContact O-CB 3.46Å; E224-R227 PolarHBondContact O-N 2.93Å; E224-V228 PolarHBondContact O-N 3.27Å; E224-V288 CarbonylContact C-O 3.5Å; E224-V288 VanDerWaalsContact CA-O 3.28Å; E224-V288 WeakPolarHBondContact CA-O 3.48Å; E224-V288 PolarHBondContact N-O 3.49Å; E224-H490 IonicContact OE2-CE1 3.08Å
225	A	89.1	Confident	86.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-53.3	-41.6	-168.9	0	0	0	0	0	114.1	I222 D223 R227 V228 I229 L287 V288	I222-A225 HydrophobicContact CB-CB 4.25Å; I222-A225 HydrophobicContact CG2-CB 3.86Å; D223-A225 PolarHBondContact O-N 2.97Å; A225-R227 PolarHBondContact O-N 3.24Å; A225-R227 VanDerWaalsContact O-N 3.12Å; A225-V228 PolarHBondContact O-N 3.27Å; A225-V228 VanDerWaalsContact O-N 3.14Å; A225-I229 WeakPolarHBondContact O-CD1 3.36Å; A225-I229 VanDerWaalsContact O-CG1 3.32Å; A225-I229 WeakPolarHBondContact O-CG1 3.46Å; A225-I229 PolarHBondContact O-N 3.03Å; A225-L287 HydrophobicContact CB-CB 4.11Å; A225-L287 HydrophobicContact CB-CD2 4.39Å; A225-L287 HydrophobicContact CB-CG 4.08Å; A225-V288 PolarHBondContact N-O 2.85Å
226	D	82.9	Confident	87.2	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.011	18%	0.183	C	C	.	.	H	α-helix	trans	-62.4	-15.8	176.5	67.8	-44.8	0	0	0	114	E224 V230 S289 T291 K486	E224-D226 VanDerWaalsContact C-N 3.28Å; E224-D226 PolarHBondContact O-N 3.49Å; D226-V230 VanDerWaalsContact O-CG2 3.27Å; D226-V230 WeakPolarHBondContact O-CG2 3.43Å; D226-S289 WeakPolarHBondContact OD1-CB 3.42Å; D226-S289 PolarHBondContact OD1-OG 2.8Å; D226-S289 PolarHBondContact OD2-OG 3.43Å; D226-T291 PolarHBondContact OD2-OG1 2.91Å; D226-K486 PolarHBondContact O-NZ 3.07Å; D226-K486 VanDerWaalsContact O-NZ 3.14Å; D226-K486 WeakPolarHBondContact OD2-CE 3.39Å; D226-K486 IonicContact OD2-NZ 3.95Å; D226-K486 PolarHBondContact OD2-NZ 3.32Å
227	R	80.2	Confident	87.3	Confident	12 Å²	12	36.3 Å²	36.3	5%	0.045	17%	0.174	C	C	.	.	H	α-helix	trans	-98.9	-37.3	171.1	-67.1	-179.8	164.9	-163.8	-13.6	112.2	P141 E224 A225 I229 V230 E231 H490	P141-R227 HydrophobicContact CB-CB 4.3Å; P141-R227 HydrophobicContact CG-CB 4.36Å; E224-R227 HydrophobicContact CB-CB 4.41Å; E224-R227 WeakPolarHBondContact O-CA 3.32Å; E224-R227 WeakPolarHBondContact O-CB 3.46Å; E224-R227 PolarHBondContact O-N 2.93Å; A225-R227 PolarHBondContact O-N 3.24Å; A225-R227 VanDerWaalsContact O-N 3.12Å; R227-I229 PolarHBondContact O-N 2.76Å; R227-V230 PolarHBondContact O-N 3.15Å; R227-V230 VanDerWaalsContact O-N 3.08Å; R227-E231 WeakPolarHBondContact O-CB 3.25Å; R227-E231 PolarHBondContact O-N 2.99Å; R227-H490 PolarHBondContact NE-CE1 3.36Å; R227-H490 PolarHBondContact NE-NE2 3.32Å; R227-H490 VanDerWaalsContact NE-NE2 3.15Å; R227-H490 VanDerWaalsContact NH2-CB 3.27Å; R227-H490 PolarHBondContact NH2-CD2 2.97Å; R227-H490 PolarHBondContact NH2-NE2 3.3Å
228	V	87.3	Confident	87.2	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.006	20%	0.197	C	C	.	.	H	α-helix	trans	-54.5	-38.1	173	175.7	0	0	0	0	110.5	I139 P141 P199 I222 D223 E224 A225 E232 W236	I139-V228 HydrophobicContact CG2-CG1 3.87Å; I139-V228 HydrophobicContact CG2-CG2 4.31Å; P141-V228 HydrophobicContact CB-CG2 4.14Å; P141-V228 HydrophobicContact CG-CG2 4.38Å; P199-V228 HydrophobicContact CG-CG1 3.98Å; I222-V228 HydrophobicContact CG2-CB 3.86Å; I222-V228 HydrophobicContact CG2-CG1 3.91Å; I222-V228 HydrophobicContact CG2-CG2 3.86Å; D223-V228 WeakPolarHBondContact O-CG2 3.29Å; E224-V228 PolarHBondContact O-N 3.27Å; A225-V228 PolarHBondContact O-N 3.27Å; A225-V228 VanDerWaalsContact O-N 3.14Å; V228-E232 WeakPolarHBondContact O-CA 3.38Å; V228-E232 WeakPolarHBondContact O-CB 3.38Å; V228-E232 PolarHBondContact O-N 3.47Å; V228-E232 VanDerWaalsContact O-N 3.15Å; V228-W236 HydrophobicContact CG1-CZ2 3.53Å
229	I	83.7	Confident	87.2	Confident	26 Å²	26	37.1 Å²	37.1	13%	0.133	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-48.3	173.9	-62.2	158.1	0	0	0	111.8	A225 R227 E232 P298 F302	A225-I229 WeakPolarHBondContact O-CD1 3.36Å; A225-I229 VanDerWaalsContact O-CG1 3.32Å; A225-I229 WeakPolarHBondContact O-CG1 3.46Å; A225-I229 PolarHBondContact O-N 3.03Å; R227-I229 PolarHBondContact O-N 2.76Å; I229-E232 WeakPolarHBondContact O-CB 3.32Å; I229-E232 PolarHBondContact O-N 3.22Å; I229-P298 HydrophobicContact CD1-CB 3.81Å; I229-P298 WeakPolarHBondContact CD1-O 3.17Å; I229-P298 HydrophobicContact CG2-CB 4.16Å; I229-F302 HydrophobicContact CD1-CD2 4.33Å; I229-F302 HydrophobicContact CD1-CE2 3.49Å; I229-F302 VanDerWaalsContact CD1-CE2 3.49Å; I229-F302 HydrophobicContact CD1-CZ 4.1Å; I229-F302 HydrophobicContact CG1-CE2 3.48Å; I229-F302 VanDerWaalsContact CG1-CE2 3.48Å; I229-F302 HydrophobicContact CG1-CZ 3.52Å
230	V	79.6	Confident	87	Confident	115 Å²	115	37.1 Å²	37.1	70%	0.697	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-35.6	-175.4	173.3	0	0	0	0	112.6	D226 R227 E232	D226-V230 VanDerWaalsContact O-CG2 3.27Å; D226-V230 WeakPolarHBondContact O-CG2 3.43Å; R227-V230 PolarHBondContact O-N 3.15Å; R227-V230 VanDerWaalsContact O-N 3.08Å; V230-E232 VanDerWaalsContact C-N 3.27Å
231	E	78	Confident	86.6	Confident	63 Å²	63	37.7 Å²	37.7	29%	0.294	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	9.3	177.8	-63.2	-179.7	-171.9	0	0	112.2	R227 K233 R466	R227-E231 WeakPolarHBondContact O-CB 3.25Å; R227-E231 PolarHBondContact O-N 2.99Å; E231-K233 PolarHBondContact O-N 3.33Å; E231-R466 IonicContact OE1-CZ 3.12Å; E231-R466 IonicContact OE1-NH1 3.23Å; E231-R466 PolarHBondContact OE1-NH1 3.28Å
232	E	74.6	Confident	86.1	Confident	39 Å²	39	40.3 Å²	40.3	18%	0.182	20%	0.2	C	C	.	.			trans	-55.7	128.1	-178.4	176.3	160.4	-165.5	0	0	111.1	V228 I229 V230 Q301	V228-E232 WeakPolarHBondContact O-CA 3.38Å; V228-E232 WeakPolarHBondContact O-CB 3.38Å; V228-E232 PolarHBondContact O-N 3.47Å; V228-E232 VanDerWaalsContact O-N 3.15Å; I229-E232 WeakPolarHBondContact O-CB 3.32Å; I229-E232 PolarHBondContact O-N 3.22Å; V230-E232 VanDerWaalsContact C-N 3.27Å; E232-Q301 PolarHBondContact OE1-NE2 3.15Å; E232-Q301 PolarHBondContact OE2-NE2 2.88Å; E232-Q301 PolarHBondContact OE2-OE1 2.97Å
233	K	73.5	Confident	85.8	Confident	153 Å²	153	43 Å²	43	67%	0.665	22%	0.216	S	C	*	.			trans	-128.4	151.3	171.5	-65.6	179.2	-178.2	-178.2	0	108	E231 N235	E231-K233 PolarHBondContact O-N 3.33Å; K233-N235 PolarHBondContact O-N 2.98Å
234	Q	79.2	Confident	85.5	Confident	111 Å²	111	43 Å²	43	52%	0.519	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	21.5	170.4	-56.6	168.6	-31.2	0	0	115.3	G200 W236	G200-Q234 PolarHBondContact O-OE1 3.04Å; Q234-W236 PolarHBondContact O-N 2.86Å; Q234-W236 VanDerWaalsContact O-N 3.09Å
235	N	87.2	Confident	85.2	Confident	109 Å²	109	42.9 Å²	42.9	58%	0.583	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.6	45.2	178.6	-64.7	-10.8	0	0	0	112.7	K233 Y237 H238 T239	K233-N235 PolarHBondContact O-N 2.98Å; N235-Y237 PolarHBondContact O-N 2.72Å; N235-Y237 VanDerWaalsContact O-N 3.1Å; N235-H238 HydrophobicContact CB-CB 4.34Å; N235-H238 PolarHBondContact O-N 3.04Å; N235-H238 VanDerWaalsContact O-N 3.14Å; N235-T239 PolarHBondContact O-N 3.22Å; N235-T239 PolarHBondContact O-OG1 3.48Å
236	W	92.2	Very high	84.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-55.3	-34.5	-171.4	70.9	-84.2	0	0	0	112.4	I139 P199 L202 V203 I222 V228 Q234 L240 F302	I139-W236 HydrophobicContact CB-CH2 4.31Å; I139-W236 HydrophobicContact CD1-CZ3 4.25Å; I139-W236 HydrophobicContact CG1-CE3 4.44Å; I139-W236 HydrophobicContact CG1-CH2 3.93Å; I139-W236 HydrophobicContact CG1-CZ3 3.73Å; I139-W236 HydrophobicContact CG2-CH2 4.08Å; I139-W236 HydrophobicContact CG2-CZ2 4.18Å; I139-W236 HydrophobicContact CG2-CZ3 4.37Å; P199-W236 HydrophobicContact CB-CB 4.01Å; P199-W236 HydrophobicContact CB-CD2 4.17Å; P199-W236 HydrophobicContact CB-CG 3.62Å; P199-W236 HydrophobicContact CG-CG 4.42Å; L202-W236 HydrophobicContact CD2-CE3 4.01Å; V203-W236 HydrophobicContact CG2-CB 3.56Å; I222-W236 HydrophobicContact CD1-CH2 3.9Å; I222-W236 HydrophobicContact CD1-CZ2 4.38Å; I222-W236 HydrophobicContact CG1-CH2 4.26Å; V228-W236 HydrophobicContact CG1-CZ2 3.53Å; Q234-W236 PolarHBondContact O-N 2.86Å; Q234-W236 VanDerWaalsContact O-N 3.09Å; W236-L240 HydrophobicContact CZ3-CD2 4.07Å; W236-L240 WeakPolarHBondContact O-CB 3.27Å; W236-L240 PolarHBondContact O-N 2.98Å; W236-F302 HydrophobicContact CH2-CE1 4.15Å; W236-F302 AromaticContact CZ2-CE1 3.74Å; W236-F302 HydrophobicContact CZ2-CE1 3.74Å; W236-F302 HydrophobicContact CZ2-CZ 4.27Å
237	Y	92.1	Very high	83.2	Confident	10 Å²	10	57.2 Å²	57.2	4%	0.039	27%	0.271	C	S	.	.	H	α-helix	trans	-69.7	-44.5	-177.6	-174.7	-103.8	0	0	0	111.5	L220 N235 L240 E241 K285 Q301 F302	L220-Y237 HydrophobicContact CD2-CE2 4.04Å; N235-Y237 PolarHBondContact O-N 2.72Å; N235-Y237 VanDerWaalsContact O-N 3.1Å; Y237-L240 PolarHBondContact O-N 3.08Å; Y237-E241 HydrophobicContact CD1-CG 4.37Å; Y237-E241 HydrophobicContact CE1-CG 3.83Å; Y237-E241 PolarHBondContact O-N 3.26Å; Y237-E241 PolarHBondContact OH-OE1 2.99Å; Y237-K285 WeakPolarHBondContact OH-CE 3.34Å; Y237-K285 PolarHBondContact OH-NZ 2.96Å; Y237-Q301 WeakPolarHBondContact CD1-O 3.34Å; Y237-Q301 VanDerWaalsContact CE1-O 3.24Å; Y237-Q301 WeakPolarHBondContact CE1-O 3.26Å; Y237-F302 HydrophobicContact CD1-CD1 4.25Å; Y237-F302 AromaticContact CD2-CD1 3.66Å; Y237-F302 HydrophobicContact CD2-CD1 3.66Å; Y237-F302 AromaticContact CD2-CE1 3.98Å; Y237-F302 HydrophobicContact CD2-CE1 3.98Å; Y237-F302 HydrophobicContact CE1-CD1 4.32Å; Y237-F302 AromaticContact CE2-CD1 3.74Å; Y237-F302 HydrophobicContact CE2-CD1 3.74Å; Y237-F302 HydrophobicContact CE2-CE1 4.46Å; Y237-F302 AromaticContact CG-CD1 3.93Å; Y237-F302 HydrophobicContact CG-CD1 3.93Å; Y237-F302 HydrophobicContact CG-CE1 4.18Å; Y237-F302 PolarHBondContact OH-O 3.45Å
238	H	89.7	Confident	82	Confident	104 Å²	104	58 Å²	58	48%	0.481	28%	0.277	S	S	.	.	H	α-helix	trans	-62.6	-45.6	175	-171.2	-72.8	0	0	0	110.8	N235 L240 E241 D242	N235-H238 HydrophobicContact CB-CB 4.34Å; N235-H238 PolarHBondContact O-N 3.04Å; N235-H238 VanDerWaalsContact O-N 3.14Å; H238-L240 VanDerWaalsContact C-N 3.27Å; H238-L240 PolarHBondContact O-N 3.12Å; H238-E241 PolarHBondContact O-N 3.16Å; H238-E241 VanDerWaalsContact O-N 3.12Å; H238-D242 IonicContact CE1-OD1 3.89Å; H238-D242 PolarHBondContact CE1-OD1 3.32Å; H238-D242 VanDerWaalsContact CE1-OD1 3.31Å; H238-D242 IonicContact CE1-OD2 2.75Å; H238-D242 PolarHBondContact CE1-OD2 3.18Å; H238-D242 IonicContact ND1-OD1 3.74Å; H238-D242 IonicContact ND1-OD2 3.71Å; H238-D242 PolarHBondContact ND1-OD2 2.78Å; H238-D242 VanDerWaalsContact O-CG 3.28Å; H238-D242 PolarHBondContact O-N 3.4Å
239	T	91.5	Very high	80.3	Confident	11 Å²	11	61.8 Å²	61.8	7%	0.067	30%	0.303	C	S	.	.	H	α-helix	trans	-57.3	-42.8	175.8	-58.2	0	0	0	0	111.3	V203 L206 Y207 N235 D242 V243	V203-T239 HydrophobicContact CG1-CG2 4.47Å; L206-T239 HydrophobicContact CD1-CG2 4.11Å; Y207-T239 HydrophobicContact CE2-CG2 3.68Å; Y207-T239 WeakPolarHBondContact OH-CG2 3.05Å; N235-T239 PolarHBondContact O-N 3.22Å; N235-T239 PolarHBondContact O-OG1 3.48Å; T239-D242 PolarHBondContact O-N 2.96Å; T239-V243 WeakPolarHBondContact O-CG2 3.35Å; T239-V243 PolarHBondContact O-N 3.37Å; T239-V243 VanDerWaalsContact O-N 3.1Å
240	L	92.5	Very high	78.6	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-46.7	175.2	-180	66	0	0	0	111.2	L137 L206 M214 L217 L220 W236 Y237 H238 D242 V243 L244	L137-L240 HydrophobicContact CD2-CD1 4.09Å; L137-L240 HydrophobicContact CD2-CD2 3.99Å; L206-L240 HydrophobicContact CD1-CD1 4.48Å; M214-L240 HydrophobicContact CB-CD1 4.41Å; M214-L240 HydrophobicContact CG-CD1 4.04Å; L217-L240 HydrophobicContact CD2-CD1 4.49Å; L220-L240 HydrophobicContact CD1-CD2 4.18Å; L220-L240 HydrophobicContact CD2-CD2 4.01Å; W236-L240 HydrophobicContact CZ3-CD2 4.07Å; W236-L240 WeakPolarHBondContact O-CB 3.27Å; W236-L240 PolarHBondContact O-N 2.98Å; Y237-L240 PolarHBondContact O-N 3.08Å; H238-L240 VanDerWaalsContact C-N 3.27Å; H238-L240 PolarHBondContact O-N 3.12Å; L240-D242 VanDerWaalsContact C-N 3.31Å; L240-D242 PolarHBondContact O-N 3.24Å; L240-V243 PolarHBondContact O-N 3.24Å; L240-L244 HydrophobicContact CD1-CD1 4.2Å; L240-L244 HydrophobicContact CD1-CG 4.17Å; L240-L244 HydrophobicContact CG-CD1 3.95Å; L240-L244 HydrophobicContact CG-CG 4.29Å; L240-L244 WeakPolarHBondContact O-CB 3.42Å; L240-L244 WeakPolarHBondContact O-CG 3.44Å; L240-L244 PolarHBondContact O-N 2.7Å
241	E	89.4	Confident	77	Confident	13 Å²	13	61.9 Å²	61.9	6%	0.061	31%	0.308	C	S	.	.	H	α-helix	trans	-58.3	-42.3	176.5	-80.2	-149.7	160	0	0	112.4	Y237 H238 L244 Y245 R266	Y237-E241 HydrophobicContact CD1-CG 4.37Å; Y237-E241 HydrophobicContact CE1-CG 3.83Å; Y237-E241 PolarHBondContact O-N 3.26Å; Y237-E241 PolarHBondContact OH-OE1 2.99Å; H238-E241 PolarHBondContact O-N 3.16Å; H238-E241 VanDerWaalsContact O-N 3.12Å; E241-L244 PolarHBondContact O-N 3.11Å; E241-Y245 HydrophobicContact CB-CD2 4.1Å; E241-Y245 HydrophobicContact CB-CE2 4.43Å; E241-Y245 HydrophobicContact CG-CD2 4.32Å; E241-Y245 HydrophobicContact CG-CE2 4.16Å; E241-Y245 WeakPolarHBondContact O-CB 3.38Å; E241-Y245 VanDerWaalsContact O-CD2 3.22Å; E241-Y245 WeakPolarHBondContact O-CD2 3.4Å; E241-Y245 PolarHBondContact O-N 3.47Å; E241-R266 IonicContact OE2-CZ 3.57Å; E241-R266 IonicContact OE2-NE 3.31Å; E241-R266 PolarHBondContact OE2-NE 3.14Å; E241-R266 IonicContact OE2-NH2 2.93Å; E241-R266 PolarHBondContact OE2-NH2 3.35Å
242	D	87.9	Confident	75.3	Confident	55 Å²	55	65.1 Å²	65.1	29%	0.294	33%	0.328	S	S	.	.	H	α-helix	trans	-61.2	-48.5	177.9	-67	-25.7	0	0	0	110.6	H238 T239 L240 L244 Y245 Y246	H238-D242 IonicContact CE1-OD1 3.89Å; H238-D242 PolarHBondContact CE1-OD1 3.32Å; H238-D242 VanDerWaalsContact CE1-OD1 3.31Å; H238-D242 IonicContact CE1-OD2 2.75Å; H238-D242 PolarHBondContact CE1-OD2 3.18Å; H238-D242 IonicContact ND1-OD1 3.74Å; H238-D242 IonicContact ND1-OD2 3.71Å; H238-D242 PolarHBondContact ND1-OD2 2.78Å; H238-D242 VanDerWaalsContact O-CG 3.28Å; H238-D242 PolarHBondContact O-N 3.4Å; T239-D242 PolarHBondContact O-N 2.96Å; L240-D242 VanDerWaalsContact C-N 3.31Å; L240-D242 PolarHBondContact O-N 3.24Å; D242-L244 PolarHBondContact O-N 3.39Å; D242-Y245 PolarHBondContact O-N 2.87Å; D242-Y246 WeakPolarHBondContact O-CA 3.49Å; D242-Y246 WeakPolarHBondContact O-CB 3.5Å; D242-Y246 PolarHBondContact O-N 3.36Å
243	V	87.6	Confident	73.9	Confident	56 Å²	56	71.6 Å²	71.6	34%	0.339	36%	0.358	S	S	.	.	H	α-helix	trans	-61	-36.1	176.5	174.3	0	0	0	0	111.7	L206 M214 T239 L240	L206-V243 HydrophobicContact CD2-CG1 4.25Å; L206-V243 HydrophobicContact CD2-CG2 4.42Å; M214-V243 HydrophobicContact CB-CG1 4.33Å; T239-V243 WeakPolarHBondContact O-CG2 3.35Å; T239-V243 PolarHBondContact O-N 3.37Å; T239-V243 VanDerWaalsContact O-N 3.1Å; L240-V243 PolarHBondContact O-N 3.24Å
244	L	88.2	Confident	72.2	Confident	7 Å²	7	70.9 Å²	70.9	4%	0.037	36%	0.361	C	S	.	.	H	α-helix	trans	-76.2	-34	-178.1	-72	-176.7	0	0	0	114.4	M214 L217 L240 E241 D242 R264 L283	M214-L244 HydrophobicContact CB-CD2 3.54Å; M214-L244 WeakPolarHBondContact O-CD2 3.35Å; L217-L244 HydrophobicContact CB-CD2 4.24Å; L217-L244 HydrophobicContact CD2-CD1 4.19Å; L217-L244 HydrophobicContact CD2-CD2 4.33Å; L240-L244 HydrophobicContact CD1-CD1 4.2Å; L240-L244 HydrophobicContact CD1-CG 4.17Å; L240-L244 HydrophobicContact CG-CD1 3.95Å; L240-L244 HydrophobicContact CG-CG 4.29Å; L240-L244 WeakPolarHBondContact O-CB 3.42Å; L240-L244 WeakPolarHBondContact O-CG 3.44Å; L240-L244 PolarHBondContact O-N 2.7Å; E241-L244 PolarHBondContact O-N 3.11Å; D242-L244 PolarHBondContact O-N 3.39Å; L244-R264 VanDerWaalsContact CD2-NH1 3.33Å; L244-R264 WeakPolarHBondContact O-CD 3.31Å; L244-L283 HydrophobicContact CD1-CD2 3.9Å
245	Y	82.6	Confident	70.3	Confident	13 Å²	13	70.5 Å²	70.5	5%	0.051	37%	0.371	C	S	.	.	H	α-helix	trans	-117.9	-20.6	-168.8	-62.3	-64.1	0	0	0	114.2	E241 D242 T248 R264 S265 R266	E241-Y245 HydrophobicContact CB-CD2 4.1Å; E241-Y245 HydrophobicContact CB-CE2 4.43Å; E241-Y245 HydrophobicContact CG-CD2 4.32Å; E241-Y245 HydrophobicContact CG-CE2 4.16Å; E241-Y245 WeakPolarHBondContact O-CB 3.38Å; E241-Y245 VanDerWaalsContact O-CD2 3.22Å; E241-Y245 WeakPolarHBondContact O-CD2 3.4Å; E241-Y245 PolarHBondContact O-N 3.47Å; D242-Y245 PolarHBondContact O-N 2.87Å; Y245-T248 PolarHBondContact O-OG1 2.8Å; Y245-R264 HydrophobicContact CD1-CG 3.51Å; Y245-R264 HydrophobicContact CE1-CG 3.43Å; Y245-R264 VanDerWaalsContact CE1-CG 3.43Å; Y245-S265 VanDerWaalsContact CE1-C 3.5Å; Y245-S265 VanDerWaalsContact CE1-O 3.31Å; Y245-S265 WeakPolarHBondContact CE1-O 3.48Å; Y245-R266 HydrophobicContact CD1-CB 4.49Å; Y245-R266 HydrophobicContact CD1-CG 3.86Å; Y245-R266 HydrophobicContact CD2-CG 3.65Å; Y245-R266 HydrophobicContact CE1-CG 4.2Å; Y245-R266 HydrophobicContact CE2-CG 3.99Å; Y245-R266 HydrophobicContact CG-CG 3.6Å
246	Y	71	Confident	68.2	Low	154 Å²	154	77.4 Å²	77.4	60%	0.604	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-41.2	-178	-170.5	-100.2	0	0	0	112.1	D242 T248 S249	D242-Y246 WeakPolarHBondContact O-CA 3.49Å; D242-Y246 WeakPolarHBondContact O-CB 3.5Å; D242-Y246 PolarHBondContact O-N 3.36Å; Y246-T248 PolarHBondContact O-N 3.17Å; Y246-T248 VanDerWaalsContact O-N 3.11Å; Y246-S249 PolarHBondContact O-N 3.13Å; Y246-S249 PolarHBondContact O-OG 2.79Å
247	Y	59.1	Low	65.8	Low	149 Å²	149	81.4 Å²	81.4	58%	0.584	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-31.7	-178.5	-173.2	-99.8	0	0	0	113	S249	Y247-S249 VanDerWaalsContact C-N 3.34Å; Y247-S249 PolarHBondContact O-N 3.11Å
248	T	54.2	Low	63.3	Low	27 Å²	27	88.9 Å²	88.9	17%	0.166	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-18.3	-179.7	56	0	0	0	0	113.6	Y245 Y246 R264	Y245-T248 PolarHBondContact O-OG1 2.8Å; Y246-T248 PolarHBondContact O-N 3.17Å; Y246-T248 VanDerWaalsContact O-N 3.11Å; T248-R264 WeakPolarHBondContact CB-O 3.36Å; T248-R264 HydrophobicContact CG2-CB 4.11Å; T248-R264 PolarHBondContact OG1-O 2.7Å
249	S	51.6	Low	61.3	Low	81 Å²	81	89.3 Å²	89.3	57%	0.566	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-27.5	-179.7	68.9	0	0	0	0	113.9	Y246 Y247	Y246-S249 PolarHBondContact O-N 3.13Å; Y246-S249 PolarHBondContact O-OG 2.79Å; Y247-S249 VanDerWaalsContact C-N 3.34Å; Y247-S249 PolarHBondContact O-N 3.11Å
250	S	49.7	Very low	59.3	Low	69 Å²	69	93.5 Å²	93.5	48%	0.483	50%	0.497	S	S	.	.	S	Bend	trans	-84.9	-5.6	-175.1	-65.1	0	0	0	0	114.7	N252	S250-N252 PolarHBondContact O-N 2.7Å
251	T	46	Very low	57.5	Low	74 Å²	74	96.3 Å²	96.3	45%	0.454	51%	0.514	S	S	.	.	S	Bend	trans	-74.3	98.8	173.8	-52.3	0	0	0	0	108.7	V261	T251-V261 HydrophobicContact CG2-CG2 4.47Å
252	N	40.7	Very low	55.9	Low	132 Å²	132	100.2 Å²	100.2	71%	0.706	53%	0.529	S	S	*	.			trans	-46.9	136.6	171.4	-90.1	-25.2	0	0	0	111	S250 N254	S250-N252 PolarHBondContact O-N 2.7Å; N252-N254 PolarHBondContact O-N 2.97Å
253	Q	45.9	Very low	54.7	Low	174 Å²	174	103 Å²	103	81%	0.813	54%	0.538	S	S	*	.	S	Bend	trans	-61.4	10	170.9	-71.9	-93	12.9	0	0	114.1
254	N	38.6	Very low	54.1	Low	138 Å²	138	100.8 Å²	100.8	74%	0.738	52%	0.523	S	S	*	.			trans	-113.7	96.5	-173.9	-71	-5.1	0	0	0	110.4	N252	N252-N254 PolarHBondContact O-N 2.97Å
255	S	37.8	Very low	53.2	Low	103 Å²	103	102.4 Å²	102.4	72%	0.72	54%	0.536	S	S	*	.			trans	158.6	135.6	141.2	-170.4	0	0	0	0	110	S257	S255-S257 PolarHBondContact O-N 2.79Å
256	W	44.3	Very low	52.8	Low	255 Å²	255	107.2 Å²	107.2	97%	0.966	55%	0.554	S	S	*	*			trans	-61	20.7	-176.6	-73.3	-38	0	0	0	116.6	N258	W256-N258 PolarHBondContact O-N 3.42Å
257	S	41.6	Very low	52.7	Low	84 Å²	84	101.2 Å²	101.2	59%	0.587	53%	0.534	S	S	*	.			trans	-74.4	98.9	168	59.1	0	0	0	0	109.5	S255 V259	S255-S257 PolarHBondContact O-N 2.79Å; S257-V259 PolarHBondContact O-N 3.01Å
258	N	40.5	Very low	53.1	Low	166 Å²	166	98.1 Å²	98.1	89%	0.888	53%	0.526	S	S	*	.			trans	-61.5	20.9	174	-86.4	-21.5	0	0	0	115.1	W256 S260	W256-N258 PolarHBondContact O-N 3.42Å; N258-S260 PolarHBondContact O-N 2.9Å; N258-S260 VanDerWaalsContact O-N 3.08Å
259	V	46.2	Very low	53.5	Low	114 Å²	114	102.7 Å²	102.7	69%	0.691	56%	0.556	S	S	*	*			trans	-76.4	100.7	168.7	-175.8	0	0	0	0	106.5	S257 V261	S257-V259 PolarHBondContact O-N 3.01Å; V259-V261 VanDerWaalsContact C-N 3.28Å; V259-V261 PolarHBondContact O-N 3.35Å
260	S	49	Very low	54.1	Low	98 Å²	98	102.1 Å²	102.1	69%	0.685	55%	0.55	S	S	*	.			trans	-55.4	93.9	169.7	59.6	0	0	0	0	108.9	N258 R262	N258-S260 PolarHBondContact O-N 2.9Å; N258-S260 VanDerWaalsContact O-N 3.08Å; S260-R262 PolarHBondContact O-N 2.8Å
261	V	54.9	Low	54.6	Low	61 Å²	61	104.1 Å²	104.1	37%	0.37	56%	0.559	S	S	.	*			trans	-64.2	113.3	170.2	179.4	0	0	0	0	105.4	T251 V259 K263	T251-V261 HydrophobicContact CG2-CG2 4.47Å; V259-V261 VanDerWaalsContact C-N 3.28Å; V259-V261 PolarHBondContact O-N 3.35Å; V261-K263 PolarHBondContact O-N 3.12Å
262	R	57.3	Low	55.1	Low	95 Å²	95	103.5 Å²	103.5	36%	0.358	57%	0.567	S	S	.	*			trans	-57.3	113.8	-180	-72.7	-161.5	173.9	170.8	-0.1	108.6	S260 D280 I281	S260-R262 PolarHBondContact O-N 2.8Å; R262-D280 WeakPolarHBondContact CA-OD2 3.43Å; R262-D280 HydrophobicContact CB-CB 3.85Å; R262-D280 HydrophobicContact CG-CB 3.78Å; R262-D280 WeakPolarHBondContact CG-OD2 3.36Å; R262-I281 HydrophobicContact CB-CD1 3.97Å; R262-I281 HydrophobicContact CB-CG1 4.27Å
263	K	62.1	Low	55.9	Low	113 Å²	113	98.6 Å²	98.6	49%	0.491	54%	0.539	S	S	.	.			trans	-82.5	131.9	-179.6	-68.2	-176.1	-179.3	178.8	0	109.4	V261 D280	V261-K263 PolarHBondContact O-N 3.12Å; K263-D280 PolarHBondContact O-N 2.61Å
264	R	74.9	Confident	56.3	Low	9 Å²	9	92.7 Å²	92.7	3%	0.034	51%	0.511	C	S	.	.			trans	-116.9	128.9	166.7	158.1	173	-75	-179.5	-3.4	107.6	L217 L244 Y245 T248 I281 T282	L217-R264 VanDerWaalsContact O-CZ 3.27Å; L217-R264 PolarHBondContact O-NH1 3.35Å; L217-R264 PolarHBondContact O-NH2 3.46Å; L244-R264 VanDerWaalsContact CD2-NH1 3.33Å; L244-R264 WeakPolarHBondContact O-CD 3.31Å; Y245-R264 HydrophobicContact CD1-CG 3.51Å; Y245-R264 HydrophobicContact CE1-CG 3.43Å; Y245-R264 VanDerWaalsContact CE1-CG 3.43Å; T248-R264 WeakPolarHBondContact CB-O 3.36Å; T248-R264 HydrophobicContact CG2-CB 4.11Å; T248-R264 PolarHBondContact OG1-O 2.7Å; R264-I281 PolarHBondContact NE-O 3.15Å; R264-I281 VanDerWaalsContact NE-O 3.13Å; R264-I281 VanDerWaalsContact NH2-CG2 3.26Å; R264-I281 PolarHBondContact NH2-O 2.85Å; R264-T282 PolarHBondContact NH2-O 3.06Å
265	S	69.8	Low	57.1	Low	42 Å²	42	92.6 Å²	92.6	29%	0.294	50%	0.501	S	S	.	.			trans	-123.6	151.8	177.5	32.1	0	0	0	0	110.2	Y245 Y273 V279	Y245-S265 VanDerWaalsContact CE1-C 3.5Å; Y245-S265 VanDerWaalsContact CE1-O 3.31Å; Y245-S265 WeakPolarHBondContact CE1-O 3.48Å; S265-Y273 WeakPolarHBondContact CB-OH 3.19Å; S265-Y273 PolarHBondContact O-OH 2.99Å; S265-Y273 PolarHBondContact OG-OH 2.85Å; S265-V279 VanDerWaalsContact OG-CG2 3.28Å; S265-V279 WeakPolarHBondContact OG-CG2 3.13Å
266	R	74.3	Confident	58	Low	114 Å²	114	90.5 Å²	90.5	43%	0.43	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-56.7	147.1	178	-78.9	-175.4	156.7	121.2	-1.7	110.3	E241 Y245 I268 Y273	E241-R266 IonicContact OE2-CZ 3.57Å; E241-R266 IonicContact OE2-NE 3.31Å; E241-R266 PolarHBondContact OE2-NE 3.14Å; E241-R266 IonicContact OE2-NH2 2.93Å; E241-R266 PolarHBondContact OE2-NH2 3.35Å; Y245-R266 HydrophobicContact CD1-CB 4.49Å; Y245-R266 HydrophobicContact CD1-CG 3.86Å; Y245-R266 HydrophobicContact CD2-CG 3.65Å; Y245-R266 HydrophobicContact CE1-CG 4.2Å; Y245-R266 HydrophobicContact CE2-CG 3.99Å; Y245-R266 HydrophobicContact CG-CG 3.6Å; R266-I268 PolarHBondContact O-N 3.25Å; R266-Y273 WeakPolarHBondContact O-CE1 3.46Å; R266-Y273 VanDerWaalsContact O-CZ 3.32Å; R266-Y273 PolarHBondContact O-OH 3.01Å
267	P	69.1	Low	58.5	Low	28 Å²	28	88.3 Å²	88.3	18%	0.182	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-59.7	123	173	20.3	-25.8	0	0	0	110.4	Y305	P267-Y305 HydrophobicContact CB-CD2 3.63Å; P267-Y305 HydrophobicContact CB-CE2 4.39Å; P267-Y305 HydrophobicContact CB-CG 4.16Å
268	I	66.1	Low	59.1	Low	84 Å²	84	87.7 Å²	87.7	43%	0.431	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-98.8	130.3	167.3	-52.9	177.1	0	0	0	107.2	R266 T270 Y273	R266-I268 PolarHBondContact O-N 3.25Å; I268-T270 HydrophobicContact CG2-CG2 3.9Å; I268-T270 WeakPolarHBondContact CG2-OG1 3.17Å; I268-T270 PolarHBondContact O-N 3.21Å; I268-Y273 HydrophobicContact CB-CD1 4.1Å; I268-Y273 HydrophobicContact CB-CD2 4.21Å; I268-Y273 HydrophobicContact CB-CG 3.89Å; I268-Y273 HydrophobicContact CD1-CD2 3.92Å; I268-Y273 HydrophobicContact CD1-CE2 3.99Å; I268-Y273 HydrophobicContact CD1-CG 4.48Å; I268-Y273 HydrophobicContact CG1-CD2 4.18Å; I268-Y273 HydrophobicContact CG1-CE2 4.21Å; I268-Y273 HydrophobicContact CG1-CG 4.31Å
269	P	63.9	Low	59.9	Low	122 Å²	122	80.7 Å²	80.7	79%	0.792	43%	0.432	S	S	*	.			trans	-79.4	47.8	-176.3	35.2	-36.5	0	0	0	111.8
270	T	63	Low	60.7	Low	70 Å²	70	78.4 Å²	78.4	43%	0.429	42%	0.416	S	S	.	.	S	Bend	trans	-119.3	140.6	178.9	52.6	0	0	0	0	110.3	I268 G272 Y273 H274	I268-T270 HydrophobicContact CG2-CG2 3.9Å; I268-T270 WeakPolarHBondContact CG2-OG1 3.17Å; I268-T270 PolarHBondContact O-N 3.21Å; T270-G272 VanDerWaalsContact C-N 3.26Å; T270-G272 PolarHBondContact O-N 3.47Å; T270-Y273 WeakPolarHBondContact O-CB 3.41Å; T270-Y273 PolarHBondContact O-N 3.15Å; T270-Y273 WeakPolarHBondContact OG1-CB 3.43Å; T270-H274 PolarHBondContact O-N 3.03Å; T270-H274 PolarHBondContact O-ND1 3.43Å
271	V	60.6	Low	62	Low	111 Å²	111	74 Å²	74	67%	0.673	39%	0.385	S	S	*	.	H	α-helix	trans	-56.5	-40	179.1	-179.4	0	0	0	0	111.6	Y273 H274 Y275	V271-Y273 PolarHBondContact O-N 2.95Å; V271-H274 VanDerWaalsContact O-CB 3.29Å; V271-H274 WeakPolarHBondContact O-CB 3.4Å; V271-H274 PolarHBondContact O-N 3.34Å; V271-Y275 HydrophobicContact CG1-CE2 4.18Å; V271-Y275 WeakPolarHBondContact O-CD2 3.36Å
272	G	56.8	Low	63.3	Low	61 Å²	61	72.4 Å²	72.4	63%	0.629	38%	0.376	S	S	*	.	H	α-helix	trans	-59.5	-32.3	177.7	0	0	0	0	0	113.6	T270 Y275	T270-G272 VanDerWaalsContact C-N 3.26Å; T270-G272 PolarHBondContact O-N 3.47Å; G272-Y275 PolarHBondContact O-N 3.32Å
273	Y	56.9	Low	64.8	Low	29 Å²	29	68 Å²	68	11%	0.114	36%	0.359	C	S	.	.	H	α-helix	trans	-78.4	-19.9	178.1	-164.1	-98.4	0	0	0	113.2	S265 R266 I268 T270 V271 Y275 D276	S265-Y273 WeakPolarHBondContact CB-OH 3.19Å; S265-Y273 PolarHBondContact O-OH 2.99Å; S265-Y273 PolarHBondContact OG-OH 2.85Å; R266-Y273 WeakPolarHBondContact O-CE1 3.46Å; R266-Y273 VanDerWaalsContact O-CZ 3.32Å; R266-Y273 PolarHBondContact O-OH 3.01Å; I268-Y273 HydrophobicContact CB-CD1 4.1Å; I268-Y273 HydrophobicContact CB-CD2 4.21Å; I268-Y273 HydrophobicContact CB-CG 3.89Å; I268-Y273 HydrophobicContact CD1-CD2 3.92Å; I268-Y273 HydrophobicContact CD1-CE2 3.99Å; I268-Y273 HydrophobicContact CD1-CG 4.48Å; I268-Y273 HydrophobicContact CG1-CD2 4.18Å; I268-Y273 HydrophobicContact CG1-CE2 4.21Å; I268-Y273 HydrophobicContact CG1-CG 4.31Å; T270-Y273 WeakPolarHBondContact O-CB 3.41Å; T270-Y273 PolarHBondContact O-N 3.15Å; T270-Y273 WeakPolarHBondContact OG1-CB 3.43Å; V271-Y273 PolarHBondContact O-N 2.95Å; Y273-Y275 PolarHBondContact O-N 3.3Å; Y273-D276 HydrophobicContact CD2-CB 4.02Å; Y273-D276 HydrophobicContact CE2-CB 4.31Å; Y273-D276 WeakPolarHBondContact CE2-OD2 3.48Å; Y273-D276 HydrophobicContact CG-CB 4.46Å; Y273-D276 PolarHBondContact O-N 3.22Å
274	H	55.5	Low	66.3	Low	49 Å²	49	62.7 Å²	62.7	23%	0.227	34%	0.336	C	S	.	.	H	α-helix	trans	-59.6	-28.4	171.9	-77.1	33.7	0	0	0	111.7	T270 V271 Y305	T270-H274 PolarHBondContact O-N 3.03Å; T270-H274 PolarHBondContact O-ND1 3.43Å; V271-H274 VanDerWaalsContact O-CB 3.29Å; V271-H274 WeakPolarHBondContact O-CB 3.4Å; V271-H274 PolarHBondContact O-N 3.34Å; H274-Y305 PolarHBondContact CD2-OH 2.75Å; H274-Y305 AromaticContact CE1-CE2 3.44Å; H274-Y305 VanDerWaalsContact CE1-CE2 3.44Å; H274-Y305 WeakPolarHBondContact CE1-CE2 3.34Å; H274-Y305 AromaticContact CE1-CZ 3.16Å; H274-Y305 PolarHBondContact CE1-OH 2.74Å; H274-Y305 AromaticContact ND1-CE2 3.83Å; H274-Y305 AromaticContact ND1-CZ 3.51Å; H274-Y305 PolarHBondContact ND1-OH 3.34Å; H274-Y305 AromaticContact NE2-CZ 3.64Å; H274-Y305 PolarHBondContact NE2-OH 2.71Å
275	Y	55.2	Low	67.2	Low	137 Å²	137	62.2 Å²	62.2	54%	0.537	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	11.6	-176.5	-57.9	-76.2	0	0	0	113.4	V271 G272 Y273 R277	V271-Y275 HydrophobicContact CG1-CE2 4.18Å; V271-Y275 WeakPolarHBondContact O-CD2 3.36Å; G272-Y275 PolarHBondContact O-N 3.32Å; Y273-Y275 PolarHBondContact O-N 3.3Å; Y275-R277 PolarHBondContact O-N 3.16Å
276	D	56.2	Low	68.5	Low	58 Å²	58	60.3 Å²	60.3	31%	0.31	32%	0.32	S	S	.	.			trans	-65.1	105.2	-178.5	-175.4	-2.8	0	0	0	110.9	Y273 S278 V279	Y273-D276 HydrophobicContact CD2-CB 4.02Å; Y273-D276 HydrophobicContact CE2-CB 4.31Å; Y273-D276 WeakPolarHBondContact CE2-OD2 3.48Å; Y273-D276 HydrophobicContact CG-CB 4.46Å; Y273-D276 PolarHBondContact O-N 3.22Å; D276-S278 VanDerWaalsContact CG-OG 3.23Å; D276-S278 PolarHBondContact O-N 3.17Å; D276-S278 VanDerWaalsContact OD1-CB 3.26Å; D276-S278 WeakPolarHBondContact OD1-CB 3.3Å; D276-S278 PolarHBondContact OD1-N 3.19Å; D276-S278 PolarHBondContact OD1-OG 3.2Å; D276-S278 PolarHBondContact OD2-OG 3.36Å; D276-V279 HydrophobicContact CB-CG2 4.42Å
277	R	54.2	Low	69.4	Low	210 Å²	210	54.9 Å²	54.9	79%	0.792	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-10.6	-178.8	-61.8	-175.7	-176.3	174.9	1.5	113.4	Y275 V279	Y275-R277 PolarHBondContact O-N 3.16Å; R277-V279 PolarHBondContact O-N 2.87Å
278	S	54.7	Low	70.6	Confident	71 Å²	71	53.5 Å²	53.5	50%	0.497	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-12.7	179.2	73.9	0	0	0	0	113	D276	D276-S278 VanDerWaalsContact CG-OG 3.23Å; D276-S278 PolarHBondContact O-N 3.17Å; D276-S278 VanDerWaalsContact OD1-CB 3.26Å; D276-S278 WeakPolarHBondContact OD1-CB 3.3Å; D276-S278 PolarHBondContact OD1-N 3.19Å; D276-S278 PolarHBondContact OD1-OG 3.2Å; D276-S278 PolarHBondContact OD2-OG 3.36Å
279	V	57.2	Low	71.6	Confident	18 Å²	18	49.5 Å²	49.5	11%	0.109	27%	0.271	C	S	.	.			trans	-96.1	110.3	-177.8	-174.7	0	0	0	0	110.7	S265 D276 R277	S265-V279 VanDerWaalsContact OG-CG2 3.28Å; S265-V279 WeakPolarHBondContact OG-CG2 3.13Å; D276-V279 HydrophobicContact CB-CG2 4.42Å; R277-V279 PolarHBondContact O-N 2.87Å
280	D	64.2	Low	72.2	Confident	67 Å²	67	43.8 Å²	43.8	36%	0.358	23%	0.234	S	C	.	.			trans	-82	-17.1	-177.6	-71.3	-49.2	0	0	0	113.9	R262 K263	R262-D280 WeakPolarHBondContact CA-OD2 3.43Å; R262-D280 HydrophobicContact CB-CB 3.85Å; R262-D280 HydrophobicContact CG-CB 3.78Å; R262-D280 WeakPolarHBondContact CG-OD2 3.36Å; K263-D280 PolarHBondContact O-N 2.61Å
281	I	74.5	Confident	72.5	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.021	22%	0.215	C	C	.	.			trans	-143.1	101.4	-169.4	-41.2	179.5	0	0	0	112.3	R216 R218 R262 R264	R216-I281 VanDerWaalsContact CD-CD1 3.47Å; R218-I281 HydrophobicContact CG-CG2 4.22Å; R262-I281 HydrophobicContact CB-CD1 3.97Å; R262-I281 HydrophobicContact CB-CG1 4.27Å; R264-I281 PolarHBondContact NE-O 3.15Å; R264-I281 VanDerWaalsContact NE-O 3.13Å; R264-I281 VanDerWaalsContact NH2-CG2 3.26Å; R264-I281 PolarHBondContact NH2-O 2.85Å
282	T	82.8	Confident	72.7	Confident	29 Å²	29	35.9 Å²	35.9	18%	0.178	19%	0.185	C	C	.	.			trans	-83.3	158.7	173.5	59.7	0	0	0	0	112.4	R100 R264	R100-T282 HydrophobicContact CB-CG2 3.89Å; R100-T282 HydrophobicContact CG-CG2 4.16Å; R264-T282 PolarHBondContact NH2-O 3.06Å
283	L	88.8	Confident	73	Confident	3 Å²	3	35 Å²	35	2%	0.016	17%	0.168	C	C	.	.			trans	-122.7	118.1	174.1	179.3	70.7	0	0	0	109	R100 L217 R218 L220 L244 K285	R100-L283 PolarHBondContact NE-O 2.94Å; R100-L283 PolarHBondContact NH2-O 3.41Å; L217-L283 HydrophobicContact CD2-CD1 4.01Å; L217-L283 HydrophobicContact CG-CD1 3.89Å; R218-L283 WeakPolarHBondContact O-CA 3.26Å; L220-L283 HydrophobicContact CB-CD1 4.02Å; L244-L283 HydrophobicContact CD1-CD2 3.9Å; L283-K285 HydrophobicContact CD2-CG 4.44Å
284	Q	92.8	Very high	73.2	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	130.4	167.8	-161.6	-178.7	22.4	0	0	109.4	Y90 P101 R102 R218 I219 L220	Y90-Q284 VanDerWaalsContact CE2-OE1 3.27Å; Y90-Q284 WeakPolarHBondContact OH-CB 3.31Å; Y90-Q284 PolarHBondContact OH-OE1 2.99Å; P101-Q284 HydrophobicContact CB-CB 4.49Å; P101-Q284 HydrophobicContact CB-CG 4.1Å; P101-Q284 HydrophobicContact CG-CB 3.74Å; P101-Q284 HydrophobicContact CG-CG 3.89Å; R102-Q284 WeakPolarHBondContact O-CG 3.15Å; R102-Q284 PolarHBondContact O-NE2 3.19Å; R218-Q284 PolarHBondContact O-N 3.05Å; I219-Q284 WeakPolarHBondContact CA-O 3.42Å; L220-Q284 PolarHBondContact N-O 3.36Å
285	K	95	Very high	73.5	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.3	173.7	-53.4	172.6	-168.8	171.7	0	109	D103 I104 L220 Y237 L283 L287 F302 N303 L304	D103-K285 CarbonylContact C-O 3.49Å; D103-K285 VanDerWaalsContact CA-O 3.24Å; D103-K285 WeakPolarHBondContact CA-O 3.29Å; D103-K285 HydrophobicContact CB-CB 4.2Å; D103-K285 WeakPolarHBondContact CB-O 3.42Å; D103-K285 PolarHBondContact OD1-N 3.35Å; D103-K285 WeakPolarHBondContact OD2-CD 3.37Å; I104-K285 PolarHBondContact N-O 2.96Å; L220-K285 CarbonylContact O-C 3.46Å; L220-K285 WeakPolarHBondContact O-CA 3.3Å; Y237-K285 WeakPolarHBondContact OH-CE 3.34Å; Y237-K285 PolarHBondContact OH-NZ 2.96Å; L283-K285 HydrophobicContact CD2-CG 4.44Å; K285-L287 HydrophobicContact CB-CD1 4.22Å; K285-F302 WeakPolarHBondContact CD-O 3.49Å; K285-F302 PolarHBondContact NZ-O 3.11Å; K285-N303 PolarHBondContact NZ-O 2.99Å; K285-L304 HydrophobicContact CB-CD2 4.12Å; K285-L304 HydrophobicContact CD-CD2 4.05Å
286	I	96.2	Very high	73.8	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	109.1	179.5	-54.7	177.6	0	0	0	107.9	M86 I104 I106 I219 L220 V221 I222 V288	M86-I286 HydrophobicContact CE-CD1 3.6Å; M86-I286 HydrophobicContact SD-CD1 3.64Å; I104-I286 HydrophobicContact CB-CG1 4.34Å; I104-I286 HydrophobicContact CB-CG2 4.3Å; I104-I286 HydrophobicContact CG2-CG2 4.49Å; I104-I286 CarbonylContact O-C 3.5Å; I104-I286 VanDerWaalsContact O-CA 3.25Å; I104-I286 WeakPolarHBondContact O-CA 3.45Å; I106-I286 HydrophobicContact CD1-CG2 4.22Å; I219-I286 HydrophobicContact CG2-CD1 3.93Å; L220-I286 PolarHBondContact O-N 3.43Å; V221-I286 CarbonylContact C-O 3.57Å; V221-I286 VanDerWaalsContact CA-O 3.3Å; V221-I286 WeakPolarHBondContact CA-O 3.19Å; V221-I286 HydrophobicContact CG2-CB 4.24Å; V221-I286 HydrophobicContact CG2-CD1 4.36Å; I222-I286 PolarHBondContact N-O 3.03Å; I286-V288 HydrophobicContact CG2-CG2 3.98Å
287	L	94.6	Very high	74.3	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.1	178.3	-80.5	62.3	0	0	0	108.9	I104 C105 I106 I222 A225 K285 L299 F302 L304	I104-L287 PolarHBondContact O-N 3.09Å; C105-L287 CarbonylContact C-O 3.25Å; C105-L287 WeakPolarHBondContact CA-O 3.37Å; I106-L287 PolarHBondContact N-O 2.96Å; I222-L287 HydrophobicContact CB-CG 4.41Å; I222-L287 HydrophobicContact CD1-CD1 4.12Å; I222-L287 HydrophobicContact CD1-CG 4.4Å; I222-L287 HydrophobicContact CG1-CD1 4.47Å; A225-L287 HydrophobicContact CB-CB 4.11Å; A225-L287 HydrophobicContact CB-CD2 4.39Å; A225-L287 HydrophobicContact CB-CG 4.08Å; K285-L287 HydrophobicContact CB-CD1 4.22Å; L287-L299 HydrophobicContact CD2-CD2 3.71Å; L287-F302 HydrophobicContact CD2-CD2 3.56Å; L287-F302 HydrophobicContact CD2-CE2 4.04Å; L287-F302 HydrophobicContact CD2-CG 4.43Å; L287-F302 HydrophobicContact CG-CD2 4.31Å; L287-L304 HydrophobicContact CD1-CD2 3.63Å; L287-L304 HydrophobicContact CD2-CD1 4.07Å; L287-L304 HydrophobicContact CD2-CD2 4.16Å
288	V	92.7	Very high	75	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.8	-175.5	-174.2	0	0	0	0	108.4	I106 K114 Y118 V221 I222 D223 E224 A225 I286	I106-V288 HydrophobicContact CB-CG1 4.45Å; I106-V288 HydrophobicContact CB-CG2 4.45Å; I106-V288 HydrophobicContact CD1-CG2 4.08Å; K114-V288 HydrophobicContact CB-CG1 3.71Å; K114-V288 HydrophobicContact CD-CG1 3.55Å; K114-V288 HydrophobicContact CG-CG1 4.17Å; Y118-V288 HydrophobicContact CD1-CG2 3.95Å; Y118-V288 HydrophobicContact CE1-CG2 4.24Å; V221-V288 HydrophobicContact CG1-CG2 4.23Å; I222-V288 PolarHBondContact O-N 3.36Å; D223-V288 WeakPolarHBondContact OD1-CG1 3.27Å; E224-V288 CarbonylContact C-O 3.5Å; E224-V288 VanDerWaalsContact CA-O 3.28Å; E224-V288 WeakPolarHBondContact CA-O 3.48Å; E224-V288 PolarHBondContact N-O 3.49Å; A225-V288 PolarHBondContact N-O 2.85Å; I286-V288 HydrophobicContact CG2-CG2 3.98Å
289	S	87.2	Confident	76	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	154.4	172.5	-179.9	0	0	0	0	111.8	I106 C107 A108 D226 T291 L292	I106-S289 PolarHBondContact O-N 3.46Å; I106-S289 VanDerWaalsContact O-O 3.07Å; C107-S289 WeakPolarHBondContact CA-O 3.38Å; A108-S289 PolarHBondContact N-O 3.4Å; D226-S289 WeakPolarHBondContact OD1-CB 3.42Å; D226-S289 PolarHBondContact OD1-OG 2.8Å; D226-S289 PolarHBondContact OD2-OG 3.43Å; S289-T291 PolarHBondContact OG-N 3.14Å; S289-L292 PolarHBondContact OG-N 3.41Å
290	A	77.9	Confident	76.9	Confident	2 Å²	2	31.2 Å²	31.2	2%	0.017	16%	0.161	C	C	.	.	S	Bend	trans	-82.6	-21.5	168	0	0	0	0	0	113.6	A108 T110	A108-A290 WeakPolarHBondContact O-CA 3.44Å; A108-A290 WeakPolarHBondContact O-CB 3.44Å; T110-A290 HydrophobicContact CG2-CB 3.82Å
291	T	69.6	Low	77.5	Confident	4 Å²	4	31.7 Å²	31.7	3%	0.025	16%	0.161	C	C	.	.	S	Bend	trans	-131.6	38.9	-174.1	49.1	0	0	0	0	109.4	D226 S289 T293 F372 I489 H490	D226-T291 PolarHBondContact OD2-OG1 2.91Å; S289-T291 PolarHBondContact OG-N 3.14Å; T291-T293 PolarHBondContact O-N 3.49Å; T291-F372 HydrophobicContact CG2-CD1 3.54Å; T291-F372 HydrophobicContact CG2-CE1 4.05Å; T291-F372 HydrophobicContact CG2-CG 4.5Å; T291-I489 HydrophobicContact CG2-CB 4.23Å; T291-I489 HydrophobicContact CG2-CG2 3.71Å; T291-H490 PolarHBondContact OG1-CE1 3.35Å; T291-H490 PolarHBondContact OG1-NE2 3.26Å
292	L	63.4	Low	78	Confident	10 Å²	10	31.5 Å²	31.5	5%	0.052	16%	0.16	C	C	.	.			trans	-52.6	112.7	-180	-164.5	70.6	0	0	0	107.5	C105 C107 S289 H294 L299 L309	C105-L292 HydrophobicContact CB-CD2 3.83Å; C107-L292 HydrophobicContact CB-CB 4.17Å; S289-L292 PolarHBondContact OG-N 3.41Å; L292-H294 PolarHBondContact O-N 3.03Å; L292-L299 HydrophobicContact CD1-CD2 4Å; L292-L309 HydrophobicContact CD2-CD1 3.89Å
293	T	63.6	Low	78.1	Confident	44 Å²	44	34.2 Å²	34.2	27%	0.27	17%	0.173	S	C	.	.			trans	-61.9	128.6	178.9	34.9	0	0	0	0	107.8	T291 D295	T291-T293 PolarHBondContact O-N 3.49Å; T293-D295 PolarHBondContact O-N 3.14Å
294	H	60.9	Low	78	Confident	31 Å²	31	35.6 Å²	35.6	14%	0.144	18%	0.181	C	C	.	.	S	Bend	trans	-73.1	-12.6	172.4	-72.4	-84.5	0	0	0	112.2	I37 L292 P296 V369 G370	I37-H294 HydrophobicContact CG2-CB 4.35Å; I37-H294 WeakPolarHBondContact CG2-ND1 3.39Å; L292-H294 PolarHBondContact O-N 3.03Å; H294-P296 VanDerWaalsContact O-CD 3.28Å; H294-P296 WeakPolarHBondContact O-CD 3.11Å; H294-V369 HydrophobicContact CB-CG1 4.06Å; H294-G370 PolarHBondContact CD2-N 3.26Å
295	D	61.7	Low	77.7	Confident	70 Å²	70	36 Å²	36	37%	0.374	18%	0.182	S	C	.	.			trans	-56.6	115.7	167	-177.8	1.1	0	0	0	108.8	T293 E297 P298	T293-D295 PolarHBondContact O-N 3.14Å; D295-E297 PolarHBondContact O-N 2.84Å; D295-E297 WeakPolarHBondContact OD1-CB 3.13Å; D295-E297 PolarHBondContact OD1-N 2.98Å; D295-P298 VanDerWaalsContact CG-CD 3.49Å; D295-P298 WeakPolarHBondContact O-CD 3.46Å; D295-P298 WeakPolarHBondContact OD2-CD 3.33Å
296	P	62.3	Low	77.3	Confident	41 Å²	41	41.9 Å²	41.9	27%	0.266	21%	0.208	S	C	.	.	H	α-helix	trans	-71.7	-16.9	179.7	30.8	-35.4	0	0	0	112.3	P34 I37 H294 L299 K300	P34-P296 HydrophobicContact CG-CB 3.95Å; P34-P296 HydrophobicContact CG-CG 4.4Å; I37-P296 HydrophobicContact CD1-CB 4.39Å; H294-P296 VanDerWaalsContact O-CD 3.28Å; H294-P296 WeakPolarHBondContact O-CD 3.11Å; P296-L299 CarbonylContact O-C 3.42Å; P296-L299 PolarHBondContact O-N 2.82Å; P296-K300 WeakPolarHBondContact O-CB 3.42Å; P296-K300 PolarHBondContact O-N 3.07Å
297	E	65.9	Low	77	Confident	148 Å²	148	42.5 Å²	42.5	69%	0.692	21%	0.212	S	C	*	.	H	α-helix	trans	-62.6	-50.8	-174.1	-66.8	-174.4	170	0	0	113.4	D295 L299 K300	D295-E297 PolarHBondContact O-N 2.84Å; D295-E297 WeakPolarHBondContact OD1-CB 3.13Å; D295-E297 PolarHBondContact OD1-N 2.98Å; E297-L299 PolarHBondContact O-N 3.34Å; E297-K300 VanDerWaalsContact O-CB 3.3Å; E297-K300 WeakPolarHBondContact O-CB 3.46Å; E297-K300 PolarHBondContact O-N 3.29Å
298	P	68.7	Low	76.8	Confident	35 Å²	35	42.8 Å²	42.8	23%	0.227	21%	0.213	C	C	.	.	H	α-helix	trans	-62.4	-32.5	175.9	-22.1	34.1	0	0	0	112.4	I229 D295 Q301	I229-P298 HydrophobicContact CD1-CB 3.81Å; I229-P298 WeakPolarHBondContact CD1-O 3.17Å; I229-P298 HydrophobicContact CG2-CB 4.16Å; D295-P298 VanDerWaalsContact CG-CD 3.49Å; D295-P298 WeakPolarHBondContact O-CD 3.46Å; D295-P298 WeakPolarHBondContact OD2-CD 3.33Å; P298-Q301 WeakPolarHBondContact O-CB 3.32Å
299	L	75.5	Confident	76.8	Confident	6 Å²	6	42.9 Å²	42.9	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-77	-27.4	-179.7	-59.4	179.3	0	0	0	112.5	W36 L287 L292 P296 E297 Q301 F302	W36-L299 HydrophobicContact CH2-CD1 3.87Å; W36-L299 HydrophobicContact CZ2-CD1 4.36Å; L287-L299 HydrophobicContact CD2-CD2 3.71Å; L292-L299 HydrophobicContact CD1-CD2 4Å; P296-L299 CarbonylContact O-C 3.42Å; P296-L299 PolarHBondContact O-N 2.82Å; E297-L299 PolarHBondContact O-N 3.34Å; L299-Q301 PolarHBondContact O-N 3.06Å; L299-F302 PolarHBondContact O-N 3.24Å
300	K	76.1	Confident	77	Confident	161 Å²	161	43.4 Å²	43.4	70%	0.7	22%	0.216	S	C	*	.	H	α-helix	trans	-57.7	-32.7	176.1	-171.5	178.8	179.2	-178.8	0	111.3	P296 E297 F302 N303	P296-K300 WeakPolarHBondContact O-CB 3.42Å; P296-K300 PolarHBondContact O-N 3.07Å; E297-K300 VanDerWaalsContact O-CB 3.3Å; E297-K300 WeakPolarHBondContact O-CB 3.46Å; E297-K300 PolarHBondContact O-N 3.29Å; K300-F302 PolarHBondContact O-N 3.1Å; K300-F302 VanDerWaalsContact O-N 3.12Å; K300-N303 PolarHBondContact O-N 3.05Å; K300-N303 PolarHBondContact O-OD1 2.62Å
301	Q	77.8	Confident	77.4	Confident	76 Å²	76	44.1 Å²	44.1	36%	0.355	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-29.5	177	-164.5	-178.3	5.2	0	0	112.9	E232 Y237 P298 L299	E232-Q301 PolarHBondContact OE1-NE2 3.15Å; E232-Q301 PolarHBondContact OE2-NE2 2.88Å; E232-Q301 PolarHBondContact OE2-OE1 2.97Å; Y237-Q301 WeakPolarHBondContact CD1-O 3.34Å; Y237-Q301 VanDerWaalsContact CE1-O 3.24Å; Y237-Q301 WeakPolarHBondContact CE1-O 3.26Å; P298-Q301 WeakPolarHBondContact O-CB 3.32Å; L299-Q301 PolarHBondContact O-N 3.06Å
302	F	85.5	Confident	78.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	2.7	-179.9	-63.1	-52.6	0	0	0	114.5	I222 I229 W236 Y237 K285 L287 L299 K300 L304	I222-F302 HydrophobicContact CD1-CD1 3.62Å; I222-F302 HydrophobicContact CD1-CD2 4.23Å; I222-F302 HydrophobicContact CD1-CE1 3.44Å; I222-F302 VanDerWaalsContact CD1-CE1 3.44Å; I222-F302 HydrophobicContact CD1-CE2 3.99Å; I222-F302 HydrophobicContact CD1-CG 4.02Å; I222-F302 HydrophobicContact CD1-CZ 3.61Å; I222-F302 HydrophobicContact CG2-CZ 4.29Å; I229-F302 HydrophobicContact CD1-CD2 4.33Å; I229-F302 HydrophobicContact CD1-CE2 3.49Å; I229-F302 VanDerWaalsContact CD1-CE2 3.49Å; I229-F302 HydrophobicContact CD1-CZ 4.1Å; I229-F302 HydrophobicContact CG1-CE2 3.48Å; I229-F302 VanDerWaalsContact CG1-CE2 3.48Å; I229-F302 HydrophobicContact CG1-CZ 3.52Å; W236-F302 HydrophobicContact CH2-CE1 4.15Å; W236-F302 AromaticContact CZ2-CE1 3.74Å; W236-F302 HydrophobicContact CZ2-CE1 3.74Å; W236-F302 HydrophobicContact CZ2-CZ 4.27Å; Y237-F302 HydrophobicContact CD1-CD1 4.25Å; Y237-F302 AromaticContact CD2-CD1 3.66Å; Y237-F302 HydrophobicContact CD2-CD1 3.66Å; Y237-F302 AromaticContact CD2-CE1 3.98Å; Y237-F302 HydrophobicContact CD2-CE1 3.98Å; Y237-F302 HydrophobicContact CE1-CD1 4.32Å; Y237-F302 AromaticContact CE2-CD1 3.74Å; Y237-F302 HydrophobicContact CE2-CD1 3.74Å; Y237-F302 HydrophobicContact CE2-CE1 4.46Å; Y237-F302 AromaticContact CG-CD1 3.93Å; Y237-F302 HydrophobicContact CG-CD1 3.93Å; Y237-F302 HydrophobicContact CG-CE1 4.18Å; Y237-F302 PolarHBondContact OH-O 3.45Å; K285-F302 WeakPolarHBondContact CD-O 3.49Å; K285-F302 PolarHBondContact NZ-O 3.11Å; L287-F302 HydrophobicContact CD2-CD2 3.56Å; L287-F302 HydrophobicContact CD2-CE2 4.04Å; L287-F302 HydrophobicContact CD2-CG 4.43Å; L287-F302 HydrophobicContact CG-CD2 4.31Å; L299-F302 PolarHBondContact O-N 3.24Å; K300-F302 PolarHBondContact O-N 3.1Å; K300-F302 VanDerWaalsContact O-N 3.12Å; F302-L304 VanDerWaalsContact C-N 3.3Å; F302-L304 HydrophobicContact CB-CD2 3.84Å; F302-L304 HydrophobicContact CB-CG 4.28Å; F302-L304 PolarHBondContact O-N 3.29Å; F302-L304 VanDerWaalsContact O-N 3.17Å
303	N	84.1	Confident	78.6	Confident	86 Å²	86	47.5 Å²	47.5	46%	0.46	24%	0.239	S	C	.	.			trans	44.2	53.9	176.7	-65.4	-35.9	0	0	0	112.5	K285 K300 Y305	K285-N303 PolarHBondContact NZ-O 2.99Å; K300-N303 PolarHBondContact O-N 3.05Å; K300-N303 PolarHBondContact O-OD1 2.62Å; N303-Y305 PolarHBondContact O-N 3.4Å
304	L	87.7	Confident	78.4	Confident	33 Å²	33	49.5 Å²	49.5	17%	0.173	24%	0.241	C	C	.	.			trans	-66	134.2	-173.7	-58.9	179.5	0	0	0	111.1	D103 K285 L287 F302 P307	D103-L304 HydrophobicContact CB-CB 4.37Å; D103-L304 HydrophobicContact CB-CD2 4.35Å; D103-L304 WeakPolarHBondContact OD2-CA 3.38Å; K285-L304 HydrophobicContact CB-CD2 4.12Å; K285-L304 HydrophobicContact CD-CD2 4.05Å; L287-L304 HydrophobicContact CD1-CD2 3.63Å; L287-L304 HydrophobicContact CD2-CD1 4.07Å; L287-L304 HydrophobicContact CD2-CD2 4.16Å; F302-L304 VanDerWaalsContact C-N 3.3Å; F302-L304 HydrophobicContact CB-CD2 3.84Å; F302-L304 HydrophobicContact CB-CG 4.28Å; F302-L304 PolarHBondContact O-N 3.29Å; F302-L304 VanDerWaalsContact O-N 3.17Å; L304-P307 HydrophobicContact CB-CB 4.04Å; L304-P307 HydrophobicContact CB-CG 4.04Å; L304-P307 HydrophobicContact CD1-CB 4.14Å
305	Y	85.9	Confident	77.5	Confident	9 Å²	9	53.6 Å²	53.6	4%	0.035	26%	0.263	C	S	.	.	S	Bend	trans	-94.5	115.4	179	174.9	-96.2	0	0	0	111.1	R100 D103 P267 H274 N303 P307	R100-Y305 HydrophobicContact CB-CD1 4.48Å; R100-Y305 HydrophobicContact CB-CE1 3.72Å; R100-Y305 HydrophobicContact CG-CD1 3.76Å; R100-Y305 HydrophobicContact CG-CE1 3.5Å; R100-Y305 VanDerWaalsContact CG-CE1 3.5Å; D103-Y305 WeakPolarHBondContact CB-O 3.35Å; D103-Y305 PolarHBondContact N-O 2.93Å; D103-Y305 PolarHBondContact OD2-N 3.06Å; P267-Y305 HydrophobicContact CB-CD2 3.63Å; P267-Y305 HydrophobicContact CB-CE2 4.39Å; P267-Y305 HydrophobicContact CB-CG 4.16Å; H274-Y305 PolarHBondContact CD2-OH 2.75Å; H274-Y305 AromaticContact CE1-CE2 3.44Å; H274-Y305 VanDerWaalsContact CE1-CE2 3.44Å; H274-Y305 WeakPolarHBondContact CE1-CE2 3.34Å; H274-Y305 AromaticContact CE1-CZ 3.16Å; H274-Y305 PolarHBondContact CE1-OH 2.74Å; H274-Y305 AromaticContact ND1-CE2 3.83Å; H274-Y305 AromaticContact ND1-CZ 3.51Å; H274-Y305 PolarHBondContact ND1-OH 3.34Å; H274-Y305 AromaticContact NE2-CZ 3.64Å; H274-Y305 PolarHBondContact NE2-OH 2.71Å; N303-Y305 PolarHBondContact O-N 3.4Å; Y305-P307 VanDerWaalsContact C-N 3.33Å
306	F	86.9	Confident	76.3	Confident	123 Å²	123	58.6 Å²	58.6	54%	0.539	28%	0.277	S	S	.	.	S	Bend	trans	39.5	55	-179.9	-160.1	-130.9	0	0	0	113.6	R102	R102-F306 WeakPolarHBondContact CB-O 3.35Å; R102-F306 VanDerWaalsContact CD-CD1 3.48Å; R102-F306 HydrophobicContact CG-CB 4.41Å; R102-F306 HydrophobicContact CG-CD1 3.63Å; R102-F306 HydrophobicContact CG-CE1 4.4Å; R102-F306 HydrophobicContact CG-CG 4.42Å; R102-F306 WeakPolarHBondContact CG-O 3.28Å; R102-F306 PolarHBondContact NE-O 3.01Å
307	P	89.3	Confident	74.6	Confident	13 Å²	13	63.9 Å²	63.9	8%	0.084	30%	0.298	C	S	.	.			trans	-62.5	151	-168.5	24.6	-34.5	0	0	0	113.1	W36 R102 D103 L304 Y305	W36-P307 HydrophobicContact CB-CG 4.49Å; W36-P307 VanDerWaalsContact CB-O 3.28Å; W36-P307 WeakPolarHBondContact CB-O 3.21Å; W36-P307 HydrophobicContact CD2-CB 3.95Å; W36-P307 HydrophobicContact CD2-CG 3.6Å; W36-P307 HydrophobicContact CE3-CB 4.09Å; W36-P307 HydrophobicContact CE3-CG 4.25Å; W36-P307 HydrophobicContact CG-CB 4.35Å; W36-P307 HydrophobicContact CG-CG 3.69Å; W36-P307 HydrophobicContact CZ2-CG 4.15Å; W36-P307 HydrophobicContact CZ3-CB 4.44Å; R102-P307 PolarHBondContact NH2-O 2.96Å; D103-P307 CarbonylContact O-C 3.47Å; D103-P307 VanDerWaalsContact O-CA 3.24Å; D103-P307 WeakPolarHBondContact O-CA 3.49Å; L304-P307 HydrophobicContact CB-CB 4.04Å; L304-P307 HydrophobicContact CB-CG 4.04Å; L304-P307 HydrophobicContact CD1-CB 4.14Å; Y305-P307 VanDerWaalsContact C-N 3.33Å
308	I	90.9	Very high	72.9	Confident	6 Å²	6	63 Å²	63	3%	0.031	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136.1	167.2	-163.6	174.3	0	0	0	109.6	E41 Y85 R102 D103 I104 C105 F310	E41-I308 HydrophobicContact CG-CD1 3.43Å; E41-I308 VanDerWaalsContact CG-CD1 3.43Å; E41-I308 HydrophobicContact CG-CG1 3.93Å; Y85-I308 HydrophobicContact CE1-CD1 4.42Å; Y85-I308 HydrophobicContact CE1-CG2 3.97Å; Y85-I308 HydrophobicContact CE2-CD1 3.91Å; R102-I308 VanDerWaalsContact CZ-CB 3.48Å; R102-I308 VanDerWaalsContact NH1-CD1 3.31Å; R102-I308 VanDerWaalsContact NH2-CB 3.34Å; D103-I308 PolarHBondContact O-N 2.64Å; I104-I308 HydrophobicContact CB-CG2 4.33Å; I104-I308 HydrophobicContact CG1-CG2 3.98Å; I104-I308 HydrophobicContact CG2-CG2 4.36Å; C105-I308 PolarHBondContact N-O 2.89Å; I308-F310 HydrophobicContact CD1-CE2 4.01Å; I308-F310 HydrophobicContact CD1-CZ 4.05Å; I308-F310 HydrophobicContact CG1-CE2 4.31Å; I308-F310 HydrophobicContact CG2-CD2 4.08Å; I308-F310 HydrophobicContact CG2-CE2 3.58Å
309	L	91.4	Very high	70.9	Confident	3 Å²	3	69.7 Å²	69.7	2%	0.016	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.6	174	178.2	56.9	0	0	0	109.9	W36 I37 P40 E41 C105 C107 L292	W36-L309 HydrophobicContact CE3-CB 3.77Å; W36-L309 HydrophobicContact CZ3-CB 3.85Å; I37-L309 HydrophobicContact CG2-CD2 4.41Å; P40-L309 CarbonylContact C-O 3.59Å; P40-L309 VanDerWaalsContact CA-O 3.27Å; P40-L309 WeakPolarHBondContact CA-O 3.49Å; P40-L309 HydrophobicContact CB-CB 3.92Å; P40-L309 HydrophobicContact CB-CD2 3.95Å; P40-L309 HydrophobicContact CB-CG 3.81Å; P40-L309 WeakPolarHBondContact CB-O 3.16Å; E41-L309 PolarHBondContact N-O 3.1Å; C105-L309 HydrophobicContact CB-CD1 3.8Å; C105-L309 CarbonylContact O-C 3.56Å; C105-L309 WeakPolarHBondContact O-CA 3.46Å; C107-L309 HydrophobicContact CB-CD1 4.16Å; L292-L309 HydrophobicContact CD2-CD1 3.89Å
310	F	91.8	Very high	68.5	Low	10 Å²	10	76.5 Å²	76.5	4%	0.044	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	121.2	163	-71.2	-91.3	0	0	0	108.6	E41 F43 A81 V82 Y85 I104 C105 C107 I308	E41-F310 HydrophobicContact CB-CD1 3.67Å; E41-F310 HydrophobicContact CB-CE1 3.76Å; E41-F310 HydrophobicContact CB-CG 4.26Å; E41-F310 HydrophobicContact CB-CZ 4.42Å; E41-F310 HydrophobicContact CG-CD1 4.47Å; E41-F310 HydrophobicContact CG-CE1 4.12Å; E41-F310 HydrophobicContact CG-CZ 4.38Å; E41-F310 WeakPolarHBondContact O-CA 3.39Å; F43-F310 HydrophobicContact CD1-CB 4.23Å; F43-F310 HydrophobicContact CE1-CB 3.9Å; A81-F310 HydrophobicContact CB-CD1 4.08Å; A81-F310 HydrophobicContact CB-CE1 4.28Å; V82-F310 HydrophobicContact CG2-CB 4.17Å; V82-F310 HydrophobicContact CG2-CD1 4.12Å; V82-F310 HydrophobicContact CG2-CD2 4.13Å; V82-F310 HydrophobicContact CG2-CG 3.87Å; Y85-F310 AromaticContact CD1-CE2 3.84Å; Y85-F310 HydrophobicContact CD1-CE2 3.84Å; Y85-F310 AromaticContact CD1-CZ 3.68Å; Y85-F310 HydrophobicContact CD1-CZ 3.68Å; Y85-F310 HydrophobicContact CD2-CZ 4.02Å; Y85-F310 HydrophobicContact CE1-CE2 4.07Å; Y85-F310 HydrophobicContact CE1-CZ 4.17Å; Y85-F310 HydrophobicContact CE2-CZ 4.47Å; Y85-F310 HydrophobicContact CG-CE2 4.25Å; Y85-F310 AromaticContact CG-CZ 3.6Å; Y85-F310 HydrophobicContact CG-CZ 3.6Å; I104-F310 HydrophobicContact CG2-CD2 3.78Å; I104-F310 HydrophobicContact CG2-CE2 4Å; C105-F310 PolarHBondContact O-N 2.98Å; C107-F310 PolarHBondContact N-O 3.32Å; I308-F310 HydrophobicContact CD1-CE2 4.01Å; I308-F310 HydrophobicContact CD1-CZ 4.05Å; I308-F310 HydrophobicContact CG1-CE2 4.31Å; I308-F310 HydrophobicContact CG2-CD2 4.08Å; I308-F310 HydrophobicContact CG2-CE2 3.58Å
311	T	87.6	Confident	66	Low	17 Å²	17	76.8 Å²	76.8	10%	0.104	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	148.9	175.6	-168.8	0	0	0	0	111.1	P40 E41 L42 F43 C107	P40-T311 HydrophobicContact CB-CG2 3.66Å; P40-T311 HydrophobicContact CG-CG2 3.68Å; E41-T311 PolarHBondContact O-N 3.13Å; L42-T311 WeakPolarHBondContact CA-O 3.46Å; L42-T311 HydrophobicContact CD2-CG2 3.43Å; L42-T311 VanDerWaalsContact CD2-CG2 3.43Å; F43-T311 WeakPolarHBondContact CD1-O 2.85Å; F43-T311 PolarHBondContact N-O 3.17Å; F43-T311 VanDerWaalsContact N-O 3.09Å; C107-T311 WeakPolarHBondContact O-CA 3.34Å
312	S	82.4	Confident	63.6	Low	7 Å²	7	81 Å²	81	5%	0.049	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	138.6	176.2	159.5	0	0	0	0	111.1	F43 S45 C107 M373	F43-S312 VanDerWaalsContact CE2-CB 3.47Å; F43-S312 CarbonylContact O-C 3.52Å; F43-S312 WeakPolarHBondContact O-CA 3.47Å; S45-S312 WeakPolarHBondContact CA-OG 3.46Å; S45-S312 WeakPolarHBondContact CB-OG 3.47Å; S45-S312 PolarHBondContact N-OG 3.09Å; C107-S312 PolarHBondContact O-N 3.07Å; S312-M373 WeakPolarHBondContact OG-CE 3.41Å
313	N	75.3	Confident	60.7	Low	78 Å²	78	87.4 Å²	87.4	42%	0.417	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-69	146.2	179.5	-164	9.4	0	0	0	110.8	L42 F43	L42-N313 HydrophobicContact CB-CB 4.34Å; F43-N313 PolarHBondContact O-N 3.31Å
314	R	59.4	Low	57.8	Low	86 Å²	86	87.5 Å²	87.5	33%	0.325	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-103.2	119.3	167	-68.7	-173.5	-177.6	-143.8	-9.6	108.7	R316 Q371 F372	R314-R316 PolarHBondContact O-N 3.4Å; R314-R316 VanDerWaalsContact O-N 3.08Å; R314-Q371 VanDerWaalsContact CZ-CB 3.44Å; R314-Q371 VanDerWaalsContact CZ-OE1 3.25Å; R314-Q371 VanDerWaalsContact NH2-C 3.26Å; R314-Q371 PolarHBondContact NH2-O 3.01Å; R314-F372 PolarHBondContact NH2-O 3.11Å
315	I	40.5	Very low	54.8	Low	118 Å²	118	91.4 Å²	91.4	61%	0.605	46%	0.461	S	S	*	.			trans	-65.1	108.8	160	-58.1	171.4	0	0	0	106.3	H317	I315-H317 VanDerWaalsContact C-N 3.33Å; I315-H317 PolarHBondContact O-N 3.45Å
316	R	36.5	Very low	51.8	Low	174 Å²	174	96.1 Å²	96.1	66%	0.657	49%	0.492	S	S	*	.			trans	-66.1	97.1	164.2	-72.6	-173.4	-178.2	179.2	5.4	106.8	R314 D318 T365	R314-R316 PolarHBondContact O-N 3.4Å; R314-R316 VanDerWaalsContact O-N 3.08Å; R316-D318 PolarHBondContact O-N 2.99Å; R316-T365 PolarHBondContact NH2-OG1 3.38Å
317	H	28.1	Very low	48.8	Very low	152 Å²	152	98.5 Å²	98.5	70%	0.704	51%	0.505	S	S	*	.			trans	-74.4	69.3	156.1	-81.9	-71.9	0	0	0	108.3	I315	I315-H317 VanDerWaalsContact C-N 3.33Å; I315-H317 PolarHBondContact O-N 3.45Å
318	D	28.9	Very low	45.6	Very low	129 Å²	129	104.5 Å²	104.5	69%	0.69	54%	0.536	S	S	*	.			trans	-142.6	60.8	164.7	-80.6	-27.6	0	0	0	106.9	R316	R316-D318 PolarHBondContact O-N 2.99Å
319	E	26.6	Very low	42.4	Very low	177 Å²	177	113.2 Å²	113.2	83%	0.827	58%	0.576	S	S	*	*			trans	-102	132.9	141	-73.1	-173.9	174.8	0	0	105.1
320	N	26.1	Very low	39	Very low	148 Å²	148	121.8 Å²	121.8	79%	0.791	61%	0.614	S	S	*	*	S	Bend	trans	92	70	-176.3	-48.3	-20.5	0	0	0	115.5
321	H	24	Very low	35.7	Very low	168 Å²	168	128.5 Å²	128.5	78%	0.778	65%	0.65	S	S	*	*				175.1	73.6	122.2	-97.6	-76.3	0	0	0	107.1	D323	H321-D323 PolarHBondContact O-N 3.17Å
322	I	27.2	Very low	32.6	Very low	164 Å²	164	132 Å²	132	84%	0.841	68%	0.68	S	S	*	*			trans	-73.6	105.3	153.4	-64	172.2	0	0	0	103.4	A324	I322-A324 PolarHBondContact O-N 3.07Å
323	D	24.7	Very low	29.5	Very low	135 Å²	135	139.9 Å²	139.9	72%	0.722	72%	0.717	S	S	*	*			trans	-57.3	95.8	161	-71.9	-37.8	0	0	0	106.3	H321 V325	H321-D323 PolarHBondContact O-N 3.17Å; D323-V325 VanDerWaalsContact C-N 3.28Å; D323-V325 PolarHBondContact O-N 3.04Å
324	A	23.4	Very low	26.9	Very low	87 Å²	87	142.5 Å²	142.5	72%	0.719	73%	0.731	S	S	*	*			trans	-65.5	93.4	172.3	0	0	0	0	0	107.2	I322 P326	I322-A324 PolarHBondContact O-N 3.07Å; A324-P326 WeakPolarHBondContact O-CD 3.38Å
325	V	24.1	Very low	25	Very low	115 Å²	115	144.8 Å²	144.8	70%	0.697	75%	0.749	S	S	*	*			trans	-72.1	116.8	156.2	179.5	0	0	0	0	105.6	D323 H327	D323-V325 VanDerWaalsContact C-N 3.28Å; D323-V325 PolarHBondContact O-N 3.04Å; V325-H327 PolarHBondContact O-N 2.86Å; V325-H327 VanDerWaalsContact O-N 3.16Å
326	P	23.6	Very low	24	Very low	108 Å²	108	143.8 Å²	143.8	70%	0.701	75%	0.753	S	S	*	*			trans	-76.5	108.3	-170.2	29.6	-30.9	0	0	0	108.9	A324	A324-P326 WeakPolarHBondContact O-CD 3.38Å
327	H	23.8	Very low	23.2	Very low	174 Å²	174	140.4 Å²	140.4	81%	0.806	76%	0.756	S	S	*	*			trans	-101.1	102.6	157.1	-87.3	-68.6	0	0	0	107.9	V325 H329	V325-H327 PolarHBondContact O-N 2.86Å; V325-H327 VanDerWaalsContact O-N 3.16Å; H327-H329 PolarHBondContact O-N 3.39Å
328	D	20.7	Very low	22.8	Very low	139 Å²	139	140.9 Å²	140.9	74%	0.743	76%	0.758	S	S	*	*			trans	-43.1	118.1	160.8	-74.1	-48.6	0	0	0	110.5
329	H	25.4	Very low	22.6	Very low	188 Å²	188	143 Å²	143	87%	0.87	77%	0.768	S	S	*	*			trans	-152.6	104.2	142.4	-89.8	-59.5	0	0	0	109.4	H327	H327-H329 PolarHBondContact O-N 3.39Å
330	K	19.6	Very low	22.2	Very low	183 Å²	183	143 Å²	143	80%	0.796	77%	0.765	S	S	*	*			trans	-55.6	133.3	162	-59.1	170.1	175.1	175.6	0	109.5
331	N	21.6	Very low	21.9	Very low	152 Å²	152	145.2 Å²	145.2	81%	0.813	77%	0.767	S	S	*	*				160.9	136.3	116.2	-85.2	-16.1	0	0	0	113.3
332	A	22.6	Very low	21.5	Very low	89 Å²	89	145.8 Å²	145.8	74%	0.736	77%	0.771	S	S	*	*			trans	70	97.2	139.2	0	0	0	0	0	119.5
333	E	17.5	Very low	21.3	Very low	174 Å²	174	147.2 Å²	147.2	81%	0.813	77%	0.774	S	S	*	*				20.8	131.2	108.5	-64.6	-177.8	167.7	0	0	119
334	N	20	Very low	21	Very low	133 Å²	133	150.2 Å²	150.2	71%	0.711	78%	0.78	S	S	*	*				129	132.2	128.2	-77.3	-27.7	0	0	0	117.8
335	N	21	Very low	20.7	Very low	134 Å²	134	151.3 Å²	151.3	72%	0.717	78%	0.781	S	S	*	*			trans	84.7	97.3	144.7	-61.9	-13.6	0	0	0	120.4
336	S	18.4	Very low	20.7	Very low	97 Å²	97	153.7 Å²	153.7	68%	0.678	79%	0.79	S	S	*	*				29.6	141.4	110.6	63.1	0	0	0	0	121.1
337	S	19.9	Very low	20.5	Very low	102 Å²	102	156.8 Å²	156.8	71%	0.713	80%	0.795	S	S	*	*			trans	104	115.5	138.8	70.1	0	0	0	0	119.8
338	E	20	Very low	20.4	Very low	162 Å²	162	155 Å²	155	76%	0.757	79%	0.792	S	S	*	*			trans	58.1	109.9	131.4	-62.6	-170.7	140.2	0	0	121.4
339	I	25.4	Very low	20.6	Very low	175 Å²	175	160 Å²	160	90%	0.897	80%	0.8	S	S	*	*			trans	-137.4	113	134.6	-60.5	-175.7	0	0	0	109.8
340	K	16.6	Very low	20.4	Very low	176 Å²	176	160.6 Å²	160.6	77%	0.765	80%	0.803	S	S	*	*			trans	-86.3	139.6	161.1	-73.4	169.9	174.6	164.5	0	109.3
341	K	21.1	Very low	20.8	Very low	194 Å²	194	158.2 Å²	158.2	84%	0.843	80%	0.798	S	S	*	*			trans	172.6	110.8	140.2	-96.4	167.4	-177.1	-175.8	0	108.8
342	Q	16	Very low	20.9	Very low	181 Å²	181	156.4 Å²	156.4	85%	0.846	80%	0.795	S	S	*	*				75.7	104.3	76.7	-121.9	172.7	-4.1	0	0	114.9
343	E	23	Very low	20.9	Very low	193 Å²	193	158.8 Å²	158.8	90%	0.902	80%	0.795	S	S	*	*			trans	-179.5	94.1	149.9	-102.4	170.7	-168	0	0	107.1
344	K	16.6	Very low	21.4	Very low	199 Å²	199	156.6 Å²	156.6	87%	0.865	79%	0.793	S	S	*	*				58.5	123.6	89.3	-94.6	-169.5	179.2	-176.3	0	117.5
345	C	18.7	Very low	21.7	Very low	109 Å²	109	157.3 Å²	157.3	74%	0.736	80%	0.796	S	S	*	*			trans	80.6	99.9	156.7	-59.8	0	0	0	0	118.7
346	D	23.5	Very low	22	Very low	166 Å²	166	155.8 Å²	155.8	89%	0.888	80%	0.795	S	S	*	*				-173.4	130.6	96	-91.4	-18	0	0	0	111.3
347	E	18.6	Very low	22.2	Very low	173 Å²	173	159.6 Å²	159.6	81%	0.808	80%	0.802	S	S	*	*			trans	-77.7	151.8	179.8	-65.8	-179.2	157	0	0	112.1
348	N	21.5	Very low	22.5	Very low	136 Å²	136	160.8 Å²	160.8	73%	0.727	81%	0.805	S	S	*	*			trans	78.7	91.5	155.1	-53.4	-39.4	0	0	0	117.9
349	R	26.7	Very low	22.6	Very low	243 Å²	243	162.5 Å²	162.5	92%	0.917	81%	0.81	S	S	*	*				-174	93.6	127.5	-96.8	158	-164.4	-167.6	7.8	109.8	I351	R349-I351 PolarHBondContact O-N 3.21Å; R349-I351 VanDerWaalsContact O-N 3.15Å
350	E	21	Very low	22.5	Very low	201 Å²	201	159.7 Å²	159.7	94%	0.939	81%	0.805	S	S	*	*			trans	-67.4	105.5	169.5	-69.8	178.3	159.2	0	0	109.6
351	I	26.4	Very low	22.9	Very low	133 Å²	133	156.1 Å²	156.1	68%	0.682	80%	0.802	S	S	*	*			trans	-88.8	131.1	161	-59.6	172.1	0	0	0	105.6	R349 N353	R349-I351 PolarHBondContact O-N 3.21Å; R349-I351 VanDerWaalsContact O-N 3.15Å; I351-N353 PolarHBondContact O-N 2.93Å
352	P	24.2	Very low	23.1	Very low	115 Å²	115	155.6 Å²	155.6	75%	0.747	80%	0.803	S	S	*	*			trans	-66.2	101.2	-176.8	-13.9	27.6	0	0	0	110	V354	P352-V354 VanDerWaalsContact C-N 3.32Å; P352-V354 PolarHBondContact O-N 3.43Å
353	N	23.8	Very low	23.5	Very low	139 Å²	139	152.9 Å²	152.9	74%	0.743	79%	0.794	S	S	*	*			trans	-70.9	86.9	173.4	-82.2	-21.3	0	0	0	109.4	I351	I351-N353 PolarHBondContact O-N 2.93Å
354	V	26.4	Very low	23.8	Very low	127 Å²	127	153 Å²	153	77%	0.77	80%	0.795	S	S	*	*			trans	-104.1	64.9	161.6	-170.8	0	0	0	0	108.3	P352	P352-V354 VanDerWaalsContact C-N 3.32Å; P352-V354 PolarHBondContact O-N 3.43Å
355	I	27.7	Very low	24.6	Very low	149 Å²	149	147.1 Å²	147.1	76%	0.764	78%	0.775	S	S	*	*	S	Bend	trans	-145.4	122.3	154.7	-73.2	106.4	0	0	0	106.6	H357	I355-H357 PolarHBondContact O-N 2.84Å
356	S	26.7	Very low	25.4	Very low	102 Å²	102	147.1 Å²	147.1	71%	0.713	77%	0.772	S	S	*	*			trans	-60	120.4	177.4	39.4	0	0	0	0	111.3	V358	S356-V358 VanDerWaalsContact C-N 3.34Å; S356-V358 PolarHBondContact O-N 3.44Å
357	H	21.9	Very low	26.2	Very low	176 Å²	176	142 Å²	142	82%	0.815	75%	0.753	S	S	*	*			trans	-63.8	90.4	166.1	-77.3	-80	0	0	0	110	I355 K359	I355-H357 PolarHBondContact O-N 2.84Å; H357-K359 PolarHBondContact O-N 2.93Å
358	V	26.6	Very low	27.3	Very low	127 Å²	127	134.8 Å²	134.8	77%	0.77	73%	0.725	S	S	*	*			trans	-82.2	112.5	161.6	179.3	0	0	0	0	107.1	S356 S360	S356-V358 VanDerWaalsContact C-N 3.34Å; S356-V358 PolarHBondContact O-N 3.44Å; V358-S360 PolarHBondContact O-N 3.11Å; V358-S360 VanDerWaalsContact O-N 3.14Å
359	K	22.1	Very low	28.3	Very low	199 Å²	199	130.9 Å²	130.9	87%	0.865	71%	0.706	S	S	*	*			trans	-49.3	116.3	178	-70.7	178.4	177	179	0	110.3	H357 S361	H357-K359 PolarHBondContact O-N 2.93Å; K359-S361 PolarHBondContact O-N 3.49Å
360	S	23.9	Very low	29.5	Very low	115 Å²	115	121.3 Å²	121.3	80%	0.804	68%	0.683	S	S	*	*			trans	-66	99.9	170.7	47.6	0	0	0	0	109.3	V358	V358-S360 PolarHBondContact O-N 3.11Å; V358-S360 VanDerWaalsContact O-N 3.14Å
361	S	25.4	Very low	31.4	Very low	101 Å²	101	115.2 Å²	115.2	71%	0.706	66%	0.655	S	S	*	*			trans	-71.3	128.9	163.9	-176.3	0	0	0	0	108.3	K359 N363	K359-S361 PolarHBondContact O-N 3.49Å; S361-N363 PolarHBondContact O-N 3.27Å
362	E	23.9	Very low	33.5	Very low	183 Å²	183	110.9 Å²	110.9	86%	0.855	63%	0.631	S	S	*	*	S	Bend	trans	-69.1	59.8	-172.9	-65.7	178.6	149.8	0	0	113.4
363	N	25.7	Very low	35.6	Very low	124 Å²	124	106.5 Å²	106.5	66%	0.663	60%	0.601	S	S	*	*			trans	-115.5	101.2	164.6	-78.7	-33.7	0	0	0	108.1	S361 T365	S361-N363 PolarHBondContact O-N 3.27Å; N363-T365 PolarHBondContact O-N 2.89Å
364	H	29	Very low	38.1	Very low	197 Å²	197	101 Å²	101	91%	0.912	57%	0.573	S	S	*	*			trans	-63.7	58.1	167.8	-73.9	-74.7	0	0	0	111.1	T366	H364-T366 PolarHBondContact O-N 3.04Å
365	T	32.4	Very low	40.4	Very low	74 Å²	74	96 Å²	96	45%	0.454	54%	0.542	S	S	.	.			trans	-83.3	110.6	165.7	55	0	0	0	0	107.2	R316 N363 A367	R316-T365 PolarHBondContact NH2-OG1 3.38Å; N363-T365 PolarHBondContact O-N 2.89Å; T365-A367 PolarHBondContact O-N 3.3Å; T365-A367 VanDerWaalsContact O-N 3.08Å
366	T	35.9	Very low	42.7	Very low	109 Å²	109	94.8 Å²	94.8	67%	0.669	53%	0.534	S	S	*	.			trans	-32.6	115.9	170.5	52.3	0	0	0	0	110	H364 G368	H364-T366 PolarHBondContact O-N 3.04Å; T366-G368 PolarHBondContact O-N 3.47Å
367	A	40.3	Very low	45.4	Very low	59 Å²	59	91.7 Å²	91.7	49%	0.488	51%	0.512	S	S	.	.	S	Bend	trans	-66.8	70.2	-173.5	0	0	0	0	0	112.4	T365 V369	T365-A367 PolarHBondContact O-N 3.3Å; T365-A367 VanDerWaalsContact O-N 3.08Å; A367-V369 PolarHBondContact O-N 3.22Å
368	G	41.9	Very low	48.5	Very low	22 Å²	22	84.1 Å²	84.1	23%	0.227	48%	0.477	C	S	.	.			trans	70.2	27.7	169	0	0	0	0	0	116.4	T366 G370 Q371	T366-G368 PolarHBondContact O-N 3.47Å; G368-G370 PolarHBondContact O-N 2.89Å; G368-Q371 WeakPolarHBondContact O-CB 3.26Å; G368-Q371 PolarHBondContact O-N 2.79Å; G368-Q371 VanDerWaalsContact O-N 3.13Å
369	V	42.4	Very low	51.7	Low	53 Å²	53	82.3 Å²	82.3	32%	0.321	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.5	124.1	177.3	-179.6	0	0	0	0	111	L33 H294 A367 Q371	L33-V369 HydrophobicContact CD1-CB 4.18Å; L33-V369 HydrophobicContact CD1-CG1 3.7Å; L33-V369 HydrophobicContact CD1-CG2 3.33Å; H294-V369 HydrophobicContact CB-CG1 4.06Å; A367-V369 PolarHBondContact O-N 3.22Å; V369-Q371 PolarHBondContact O-N 3.36Å
370	G	51.1	Low	55	Low	43 Å²	43	73.5 Å²	73.5	44%	0.443	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	2.5	175.9	0	0	0	0	0	116.5	H294 G368	H294-G370 PolarHBondContact CD2-N 3.26Å; G368-G370 PolarHBondContact O-N 2.89Å
371	Q	61.9	Low	58.4	Low	73 Å²	73	69.5 Å²	69.5	34%	0.341	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-95.8	116.3	-176.2	-55.2	-178.1	-1.7	0	0	112.6	R314 G368 V369	R314-Q371 VanDerWaalsContact CZ-CB 3.44Å; R314-Q371 VanDerWaalsContact CZ-OE1 3.25Å; R314-Q371 VanDerWaalsContact NH2-C 3.26Å; R314-Q371 PolarHBondContact NH2-O 3.01Å; G368-Q371 WeakPolarHBondContact O-CB 3.26Å; G368-Q371 PolarHBondContact O-N 2.79Å; G368-Q371 VanDerWaalsContact O-N 3.13Å; V369-Q371 PolarHBondContact O-N 3.36Å
372	F	70.8	Confident	61.7	Low	42 Å²	42	64.9 Å²	64.9	18%	0.184	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-72.5	146.3	-179	-57.1	-75.1	0	0	0	114	T291 R314 I485 K486 I489 A523	T291-F372 HydrophobicContact CG2-CD1 3.54Å; T291-F372 HydrophobicContact CG2-CE1 4.05Å; T291-F372 HydrophobicContact CG2-CG 4.5Å; R314-F372 PolarHBondContact NH2-O 3.11Å; F372-I485 HydrophobicContact CD2-CB 4.38Å; F372-I485 HydrophobicContact CD2-CG2 3.49Å; F372-I485 VanDerWaalsContact CD2-CG2 3.49Å; F372-I485 HydrophobicContact CE2-CB 3.95Å; F372-I485 HydrophobicContact CE2-CG2 3.56Å; F372-K486 HydrophobicContact CE1-CB 4.15Å; F372-K486 HydrophobicContact CE1-CG 4.31Å; F372-K486 HydrophobicContact CZ-CB 4.06Å; F372-I489 HydrophobicContact CB-CB 4.34Å; F372-I489 HydrophobicContact CB-CD1 3.54Å; F372-I489 HydrophobicContact CB-CG1 3.46Å; F372-I489 VanDerWaalsContact CB-CG1 3.46Å; F372-I489 HydrophobicContact CB-CG2 4.22Å; F372-I489 HydrophobicContact CD1-CG1 4.43Å; F372-I489 HydrophobicContact CD2-CG1 4.14Å; F372-I489 HydrophobicContact CG-CD1 4.35Å; F372-I489 HydrophobicContact CG-CG1 3.78Å; F372-A523 HydrophobicContact CD2-CB 4Å; F372-A523 HydrophobicContact CE2-CB 4.26Å
373	M	67.9	Low	65.2	Low	23 Å²	23	56.2 Å²	56.2	11%	0.113	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-97.2	142.6	-178.4	-58	-166.1	72.1	0	0	112.9	P109 S312	P109-M373 HydrophobicContact CB-CB 4.28Å; S312-M373 WeakPolarHBondContact OG-CE 3.41Å
374	V	76	Confident	68.4	Low	24 Å²	24	52 Å²	52	15%	0.145	30%	0.296	C	S	.	.			trans	-136.9	145.6	-177.9	-176.9	0	0	0	0	109	L378 I489 I492	V374-L378 HydrophobicContact CG1-CB 4.22Å; V374-L378 HydrophobicContact CG1-CD2 3.28Å; V374-L378 HydrophobicContact CG1-CG 4.35Å; V374-I489 HydrophobicContact CG2-CD1 3.45Å; V374-I489 VanDerWaalsContact CG2-CD1 3.45Å; V374-I492 HydrophobicContact CB-CD1 4.43Å; V374-I492 HydrophobicContact CG1-CD1 3.7Å; V374-I492 HydrophobicContact CG1-CG1 4.36Å; V374-I492 HydrophobicContact CG2-CD1 3.75Å
375	P	74.2	Confident	71.4	Confident	21 Å²	21	42.7 Å²	42.7	14%	0.136	25%	0.254	C	S	.	.			trans	-59.1	139.9	175.7	-22.3	33.2	0	0	0	112.7	S377 L378 A496	P375-S377 VanDerWaalsContact C-N 3.34Å; P375-S377 PolarHBondContact O-N 2.88Å; P375-L378 HydrophobicContact CB-CB 4.49Å; P375-L378 VanDerWaalsContact O-CB 3.25Å; P375-L378 WeakPolarHBondContact O-CB 3.4Å; P375-L378 PolarHBondContact O-N 3.3Å; P375-A496 HydrophobicContact CB-CB 3.88Å; P375-A496 WeakPolarHBondContact CB-O 3.4Å; P375-A496 HydrophobicContact CG-CB 4.26Å
376	E	76.7	Confident	74.2	Confident	124 Å²	124	45.9 Å²	45.9	58%	0.579	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-32	-178.3	-66.7	178.8	-175.9	0	0	113.3	S45 L378	S45-E376 WeakPolarHBondContact CB-OE1 3.17Å; S45-E376 PolarHBondContact OG-OE1 2.76Å; E376-L378 PolarHBondContact O-N 3.45Å
377	S	83.4	Confident	76.8	Confident	37 Å²	37	44.6 Å²	44.6	26%	0.259	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	5.8	178.6	58.4	0	0	0	0	113.9	P375 K500 G502	P375-S377 VanDerWaalsContact C-N 3.34Å; P375-S377 PolarHBondContact O-N 2.88Å; S377-K500 WeakPolarHBondContact CB-O 3.39Å; S377-K500 PolarHBondContact OG-O 3.26Å; S377-G502 PolarHBondContact O-N 3.45Å
378	L	88	Confident	79.1	Confident	16 Å²	16	46 Å²	46	8%	0.084	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	125	180	-175	73.6	0	0	0	111.8	V374 P375 E376 E380 I492 T495 A496 A504	V374-L378 HydrophobicContact CG1-CB 4.22Å; V374-L378 HydrophobicContact CG1-CD2 3.28Å; V374-L378 HydrophobicContact CG1-CG 4.35Å; P375-L378 HydrophobicContact CB-CB 4.49Å; P375-L378 VanDerWaalsContact O-CB 3.25Å; P375-L378 WeakPolarHBondContact O-CB 3.4Å; P375-L378 PolarHBondContact O-N 3.3Å; E376-L378 PolarHBondContact O-N 3.45Å; L378-E380 HydrophobicContact CD2-CG 3.66Å; L378-E380 HydrophobicContact CG-CG 4.07Å; L378-I492 HydrophobicContact CD2-CB 3.84Å; L378-I492 HydrophobicContact CD2-CD1 3.79Å; L378-I492 HydrophobicContact CD2-CG1 3.96Å; L378-T495 HydrophobicContact CD1-CG2 3.38Å; L378-A496 HydrophobicContact CB-CB 3.84Å; L378-A496 HydrophobicContact CD1-CB 3.85Å; L378-A496 HydrophobicContact CG-CB 4.48Å; L378-A504 HydrophobicContact CD1-CB 4.11Å; L378-A504 HydrophobicContact CD2-CB 4.35Å
379	E	91.9	Very high	81.4	Confident	90 Å²	90	45.9 Å²	45.9	42%	0.421	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	117.8	166.3	-62	-161.2	124.6	0	0	111.5	F381 G502 T503 A504 K529	E379-F381 HydrophobicContact CB-CE2 3.81Å; E379-G502 PolarHBondContact N-O 3.05Å; E379-T503 HydrophobicContact CB-CG2 4.31Å; E379-T503 CarbonylContact O-C 3.53Å; E379-T503 WeakPolarHBondContact O-CA 3.45Å; E379-A504 PolarHBondContact O-N 2.88Å; E379-K529 IonicContact OE1-NZ 2.94Å; E379-K529 PolarHBondContact OE1-NZ 3.13Å
380	E	93.1	Very high	83.9	Confident	14 Å²	14	44 Å²	44	7%	0.065	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	133.2	-179.5	-59.7	179.7	-89.5	0	0	111.7	L378 Y488 I492 R525 I528 K529	L378-E380 HydrophobicContact CD2-CG 3.66Å; L378-E380 HydrophobicContact CG-CG 4.07Å; E380-Y488 PolarHBondContact OE2-OH 3.24Å; E380-I492 WeakPolarHBondContact OE2-CD1 3.24Å; E380-R525 IonicContact OE1-CZ 3.67Å; E380-R525 IonicContact OE1-NE 3.91Å; E380-R525 IonicContact OE1-NH2 3.49Å; E380-R525 PolarHBondContact OE1-NH2 3.2Å; E380-I528 HydrophobicContact CB-CG1 4.4Å; E380-I528 HydrophobicContact CB-CG2 3.81Å; E380-K529 PolarHBondContact O-N 3.38Å
381	F	95.1	Very high	86.1	Confident	30 Å²	30	42.1 Å²	42.1	13%	0.132	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	124.5	177.4	-65.7	-86.3	0	0	0	112.1	E379 V383 T503 A504 Y505 N506 K529 L531	E379-F381 HydrophobicContact CB-CE2 3.81Å; F381-V383 HydrophobicContact CB-CG2 4.5Å; F381-T503 HydrophobicContact CD2-CG2 3.67Å; F381-T503 HydrophobicContact CE2-CG2 3.63Å; F381-A504 PolarHBondContact N-O 2.94Å; F381-Y505 HydrophobicContact CB-CD1 3.45Å; F381-Y505 VanDerWaalsContact CB-CD1 3.45Å; F381-Y505 HydrophobicContact CB-CE1 3.67Å; F381-Y505 HydrophobicContact CB-CG 4.43Å; F381-Y505 HydrophobicContact CD1-CE1 4.46Å; F381-Y505 HydrophobicContact CD2-CD1 4.08Å; F381-Y505 AromaticContact CD2-CE1 3.55Å; F381-Y505 HydrophobicContact CD2-CE1 3.55Å; F381-Y505 HydrophobicContact CE2-CE1 4.29Å; F381-Y505 AromaticContact CG-CD1 3.98Å; F381-Y505 HydrophobicContact CG-CD1 3.98Å; F381-Y505 AromaticContact CG-CE1 3.64Å; F381-Y505 HydrophobicContact CG-CE1 3.64Å; F381-Y505 WeakPolarHBondContact O-CA 3.35Å; F381-N506 PolarHBondContact O-N 3.42Å; F381-K529 CarbonylContact C-O 3.55Å; F381-K529 VanDerWaalsContact CA-O 3.3Å; F381-K529 WeakPolarHBondContact CA-O 3.24Å; F381-K529 HydrophobicContact CD1-CB 3.7Å; F381-K529 HydrophobicContact CD1-CD 4.36Å; F381-K529 HydrophobicContact CE1-CB 3.82Å; F381-K529 HydrophobicContact CE1-CD 3.64Å; F381-K529 HydrophobicContact CE1-CG 4.36Å; F381-K529 HydrophobicContact CZ-CD 3.9Å; F381-L531 HydrophobicContact CD1-CB 4.28Å; F381-L531 HydrophobicContact CD1-CD1 4.38Å
382	L	94.9	Very high	87.7	Confident	5 Å²	5	38.7 Å²	38.7	3%	0.026	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	120.8	165.8	-58.7	-175.4	0	0	0	109.2	N506 L508 F513 F516 L520 I528 K529 Q530 L531	L382-N506 HydrophobicContact CD2-CB 3.98Å; L382-L508 HydrophobicContact CB-CD1 4.27Å; L382-L508 HydrophobicContact CD1-CD1 4.48Å; L382-L508 HydrophobicContact CD2-CD1 4.01Å; L382-L508 HydrophobicContact CG-CD1 4.46Å; L382-F513 HydrophobicContact CB-CD2 4.29Å; L382-F513 HydrophobicContact CB-CE2 3.63Å; L382-F513 HydrophobicContact CB-CZ 4.49Å; L382-F513 HydrophobicContact CD1-CE2 4.02Å; L382-F513 HydrophobicContact CD1-CZ 4.32Å; L382-F513 HydrophobicContact CG-CE2 4.49Å; L382-F516 HydrophobicContact CD2-CD1 4.14Å; L382-F516 HydrophobicContact CD2-CE1 4.1Å; L382-L520 HydrophobicContact CD1-CD1 4.22Å; L382-L520 HydrophobicContact CD2-CD1 4.33Å; L382-I528 HydrophobicContact CD1-CG2 4.35Å; L382-I528 HydrophobicContact CD2-CG2 4.21Å; L382-I528 HydrophobicContact CG-CG2 3.71Å; L382-K529 PolarHBondContact N-O 3.13Å; L382-Q530 WeakPolarHBondContact O-CA 3.39Å; L382-L531 PolarHBondContact O-N 2.83Å
383	V	95.6	Very high	89	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	118.7	-175.3	-174.5	0	0	0	0	109.8	F381 A385 F393 Y505 N506 L507 L508 L531 F533	F381-V383 HydrophobicContact CB-CG2 4.5Å; V383-A385 PolarHBondContact O-N 3.17Å; V383-F393 HydrophobicContact CB-CZ 4.45Å; V383-F393 HydrophobicContact CG1-CD2 4.01Å; V383-F393 HydrophobicContact CG1-CE2 3.69Å; V383-F393 HydrophobicContact CG1-CZ 4.09Å; V383-F393 HydrophobicContact CG2-CE1 4.3Å; V383-F393 HydrophobicContact CG2-CE2 4.12Å; V383-F393 HydrophobicContact CG2-CZ 3.7Å; V383-Y505 HydrophobicContact CG2-CD1 3.7Å; V383-Y505 HydrophobicContact CG2-CG 4.4Å; V383-N506 PolarHBondContact N-O 3.3Å; V383-L507 HydrophobicContact CB-CD2 3.69Å; V383-L507 HydrophobicContact CG1-CD2 3.93Å; V383-L507 HydrophobicContact CG2-CD2 4.14Å; V383-L508 PolarHBondContact O-N 3.24Å; V383-L531 WeakPolarHBondContact CA-O 3.37Å; V383-L531 HydrophobicContact CG1-CD2 4.02Å; V383-L531 HydrophobicContact CG2-CB 4.32Å; V383-L531 HydrophobicContact CG2-CD2 4.28Å; V383-F533 HydrophobicContact CG1-CB 3.94Å
384	T	94.3	Very high	90.3	Very high	35 Å²	35	35.6 Å²	35.6	22%	0.215	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	113.4	173.7	-48.7	0	0	0	0	109.5	L508 L531	T384-L508 CarbonylContact C-O 3.59Å; T384-L508 WeakPolarHBondContact CA-O 3.34Å; T384-L531 PolarHBondContact N-O 2.67Å
385	A	92.6	Very high	91.3	Very high	3 Å²	3	34.4 Å²	34.4	3%	0.025	18%	0.178	C	C	.	.			trans	-146.7	133.5	-179.2	0	0	0	0	0	111.7	V383 I389 R390 L508 F533	V383-A385 PolarHBondContact O-N 3.17Å; A385-I389 HydrophobicContact CB-CD1 4.39Å; A385-I389 HydrophobicContact CB-CG1 4.28Å; A385-R390 HydrophobicContact CB-CG 4.28Å; A385-L508 PolarHBondContact N-O 2.99Å; A385-F533 HydrophobicContact CB-CD1 4.42Å
386	K	91	Very high	92.3	Very high	140 Å²	140	34 Å²	34	61%	0.609	17%	0.173	S	C	*	.			trans	-68.4	150.7	172.1	-64.3	-178	179.9	-179.6	0	110.6	D388 I389 R390	K386-D388 VanDerWaalsContact C-N 3.32Å; K386-D388 WeakPolarHBondContact CB-OD1 3.45Å; K386-D388 PolarHBondContact O-N 2.98Å; K386-I389 HydrophobicContact CB-CD1 4.42Å; K386-I389 HydrophobicContact CB-CG1 4.09Å; K386-I389 WeakPolarHBondContact O-CG1 3.44Å; K386-I389 PolarHBondContact O-N 3.19Å; K386-I389 VanDerWaalsContact O-N 3.12Å; K386-R390 WeakPolarHBondContact O-CG 3.47Å; K386-R390 PolarHBondContact O-N 2.99Å
387	P	88.9	Confident	93.3	Very high	83 Å²	83	28 Å²	28	54%	0.539	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-55.1	-41.6	-174.4	-27.7	36.1	0	0	0	114.9	I389 R390	P387-I389 VanDerWaalsContact C-N 3.33Å; P387-I389 PolarHBondContact O-N 3.39Å; P387-R390 PolarHBondContact O-N 3.38Å
388	D	88.6	Confident	93.8	Very high	89 Å²	89	26.8 Å²	26.8	48%	0.476	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-59.3	-38.3	177.1	56.9	-24.1	0	0	0	112.7	K386 Y545	K386-D388 VanDerWaalsContact C-N 3.32Å; K386-D388 WeakPolarHBondContact CB-OD1 3.45Å; K386-D388 PolarHBondContact O-N 2.98Å; D388-Y545 PolarHBondContact O-OH 3.24Å
389	I	91.9	Very high	94.1	Very high	18 Å²	18	29.7 Å²	29.7	9%	0.092	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-91.8	-3.9	-178.8	67.3	170.9	0	0	0	114.1	A385 K386 P387 V391 L392 F393 F533 W538	A385-I389 HydrophobicContact CB-CD1 4.39Å; A385-I389 HydrophobicContact CB-CG1 4.28Å; K386-I389 HydrophobicContact CB-CD1 4.42Å; K386-I389 HydrophobicContact CB-CG1 4.09Å; K386-I389 WeakPolarHBondContact O-CG1 3.44Å; K386-I389 PolarHBondContact O-N 3.19Å; K386-I389 VanDerWaalsContact O-N 3.12Å; P387-I389 VanDerWaalsContact C-N 3.33Å; P387-I389 PolarHBondContact O-N 3.39Å; I389-V391 PolarHBondContact O-N 2.97Å; I389-L392 HydrophobicContact CB-CD1 4.49Å; I389-L392 WeakPolarHBondContact O-CB 3.36Å; I389-L392 PolarHBondContact O-N 3.47Å; I389-L392 VanDerWaalsContact O-N 3.09Å; I389-F393 PolarHBondContact O-N 3.07Å; I389-F533 HydrophobicContact CD1-CD1 4.08Å; I389-W538 HydrophobicContact CD1-CZ2 4.39Å; I389-W538 HydrophobicContact CG2-CD2 4.5Å; I389-W538 HydrophobicContact CG2-CE3 4.48Å; I389-W538 HydrophobicContact CG2-CH2 3.96Å; I389-W538 HydrophobicContact CG2-CZ2 3.97Å; I389-W538 HydrophobicContact CG2-CZ3 4.19Å
390	R	95	Very high	94.1	Very high	14 Å²	14	29.2 Å²	29.2	5%	0.053	14%	0.144	C	C	.	.	H	α-helix	trans	-59.9	-35.4	-177.1	-72	-175.6	-179	175.5	0.2	112.8	A385 K386 P387 L392 F393 Y479 D480 L507 Q512	A385-R390 HydrophobicContact CB-CG 4.28Å; K386-R390 WeakPolarHBondContact O-CG 3.47Å; K386-R390 PolarHBondContact O-N 2.99Å; P387-R390 PolarHBondContact O-N 3.38Å; R390-L392 VanDerWaalsContact C-N 3.3Å; R390-L392 PolarHBondContact O-N 3.37Å; R390-F393 VanDerWaalsContact O-CB 3.3Å; R390-F393 WeakPolarHBondContact O-CB 3.39Å; R390-F393 PolarHBondContact O-N 3.36Å; R390-F393 VanDerWaalsContact O-N 3.15Å; R390-Y479 HydrophobicContact CB-CD2 3.97Å; R390-Y479 HydrophobicContact CB-CE2 3.34Å; R390-Y479 WeakPolarHBondContact CD-O 3.31Å; R390-Y479 HydrophobicContact CG-CE2 4.46Å; R390-Y479 PolarHBondContact NH1-O 2.83Å; R390-D480 IonicContact NH1-OD1 3.95Å; R390-L507 HydrophobicContact CB-CD1 3.87Å; R390-L507 HydrophobicContact CG-CB 4.4Å; R390-L507 HydrophobicContact CG-CD1 4.02Å; R390-Q512 VanDerWaalsContact NH2-OE1 3.09Å
391	V	95.9	Very high	94.2	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.024	16%	0.163	C	C	.	.	H	α-helix	trans	-64.1	-40.1	178.5	-176.7	0	0	0	0	110.5	I389 F393 L394 V395 L419 L422 L423 F426 Y479 Y545	I389-V391 PolarHBondContact O-N 2.97Å; V391-F393 PolarHBondContact O-N 3.18Å; V391-L394 WeakPolarHBondContact O-CB 3.23Å; V391-L394 PolarHBondContact O-N 3.23Å; V391-L394 VanDerWaalsContact O-N 3.08Å; V391-V395 PolarHBondContact O-N 2.82Å; V391-L419 HydrophobicContact CG1-CD1 4.38Å; V391-L419 HydrophobicContact CG2-CD1 3.81Å; V391-L422 HydrophobicContact CB-CD2 4.39Å; V391-L422 HydrophobicContact CG1-CD2 4.09Å; V391-L422 HydrophobicContact CG1-CG 4.16Å; V391-L422 HydrophobicContact CG2-CD2 3.78Å; V391-L423 HydrophobicContact CG1-CD2 3.95Å; V391-L423 HydrophobicContact CG1-CG 4.47Å; V391-F426 HydrophobicContact CG1-CE2 3.87Å; V391-F426 HydrophobicContact CG1-CZ 4.33Å; V391-Y479 HydrophobicContact CG2-CE2 4.09Å; V391-Y545 HydrophobicContact CB-CE2 4.48Å
392	L	96.2	Very high	94.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.8	-26.5	176.6	-61.7	-179.6	0	0	0	112.6	I389 R390 V395 Y396 F426 F533 W538 F541 Y545	I389-L392 HydrophobicContact CB-CD1 4.49Å; I389-L392 WeakPolarHBondContact O-CB 3.36Å; I389-L392 PolarHBondContact O-N 3.47Å; I389-L392 VanDerWaalsContact O-N 3.09Å; R390-L392 VanDerWaalsContact C-N 3.3Å; R390-L392 PolarHBondContact O-N 3.37Å; L392-V395 PolarHBondContact O-N 3.14Å; L392-Y396 VanDerWaalsContact O-CB 3.26Å; L392-Y396 WeakPolarHBondContact O-CB 3.25Å; L392-Y396 PolarHBondContact O-N 3.3Å; L392-F426 HydrophobicContact CD2-CE1 4.32Å; L392-F426 HydrophobicContact CD2-CZ 4.19Å; L392-F533 HydrophobicContact CB-CE1 4.34Å; L392-F533 HydrophobicContact CB-CZ 4.43Å; L392-W538 HydrophobicContact CB-CB 4.04Å; L392-W538 HydrophobicContact CD1-CB 4.07Å; L392-W538 HydrophobicContact CD1-CD2 4Å; L392-W538 HydrophobicContact CD1-CE3 3.47Å; L392-W538 VanDerWaalsContact CD1-CE3 3.47Å; L392-W538 HydrophobicContact CD1-CG 4.27Å; L392-W538 HydrophobicContact CD1-CZ3 4.21Å; L392-F541 HydrophobicContact CD2-CB 3.84Å; L392-Y545 HydrophobicContact CD1-CD1 4.11Å; L392-Y545 HydrophobicContact CD2-CD1 4.15Å; L392-Y545 HydrophobicContact CD2-CD2 4.2Å; L392-Y545 HydrophobicContact CD2-CG 3.77Å; L392-Y545 HydrophobicContact CG-CD1 4.25Å; L392-Y545 HydrophobicContact CG-CG 4.32Å
393	F	97	Very high	94	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65	-41	173.8	-170.8	-98.7	0	0	0	111.9	V383 I389 R390 V391 V395 Y396 L397 Y505 L507 L531 F533	V383-F393 HydrophobicContact CB-CZ 4.45Å; V383-F393 HydrophobicContact CG1-CD2 4.01Å; V383-F393 HydrophobicContact CG1-CE2 3.69Å; V383-F393 HydrophobicContact CG1-CZ 4.09Å; V383-F393 HydrophobicContact CG2-CE1 4.3Å; V383-F393 HydrophobicContact CG2-CE2 4.12Å; V383-F393 HydrophobicContact CG2-CZ 3.7Å; I389-F393 PolarHBondContact O-N 3.07Å; R390-F393 VanDerWaalsContact O-CB 3.3Å; R390-F393 WeakPolarHBondContact O-CB 3.39Å; R390-F393 PolarHBondContact O-N 3.36Å; R390-F393 VanDerWaalsContact O-N 3.15Å; V391-F393 PolarHBondContact O-N 3.18Å; F393-V395 VanDerWaalsContact C-N 3.35Å; F393-Y396 HydrophobicContact CD2-CD1 4.25Å; F393-Y396 HydrophobicContact CE2-CD1 4.15Å; F393-Y396 HydrophobicContact CE2-CE1 4.35Å; F393-Y396 WeakPolarHBondContact O-CB 3.35Å; F393-Y396 PolarHBondContact O-N 3.01Å; F393-L397 HydrophobicContact CD1-CD1 3.99Å; F393-L397 HydrophobicContact CD1-CG 4.11Å; F393-L397 HydrophobicContact CE1-CD1 3.62Å; F393-L397 HydrophobicContact CE1-CD2 4.05Å; F393-L397 HydrophobicContact CE1-CG 3.81Å; F393-L397 HydrophobicContact CZ-CD1 4.43Å; F393-L397 HydrophobicContact CZ-CD2 4.04Å; F393-L397 HydrophobicContact CZ-CG 4.25Å; F393-L397 WeakPolarHBondContact O-CG 3.39Å; F393-L397 PolarHBondContact O-N 3.41Å; F393-Y505 HydrophobicContact CE1-CD1 4.07Å; F393-Y505 HydrophobicContact CE1-CD2 4.3Å; F393-Y505 AromaticContact CE1-CG 3.82Å; F393-Y505 HydrophobicContact CE1-CG 3.82Å; F393-Y505 AromaticContact CZ-CD1 3.69Å; F393-Y505 HydrophobicContact CZ-CD1 3.69Å; F393-Y505 HydrophobicContact CZ-CE1 4.15Å; F393-Y505 AromaticContact CZ-CG 3.94Å; F393-Y505 HydrophobicContact CZ-CG 3.94Å; F393-L507 HydrophobicContact CB-CD1 4.28Å; F393-L507 HydrophobicContact CB-CD2 4.45Å; F393-L507 HydrophobicContact CD1-CD1 4.22Å; F393-L507 HydrophobicContact CD1-CD2 3.51Å; F393-L507 HydrophobicContact CD1-CG 4.42Å; F393-L507 HydrophobicContact CE1-CD2 3.76Å; F393-L507 HydrophobicContact CG-CD2 3.91Å; F393-L507 HydrophobicContact CZ-CD2 4.41Å; F393-L531 HydrophobicContact CE2-CD2 4.14Å; F393-F533 HydrophobicContact CB-CD1 4.28Å; F393-F533 HydrophobicContact CB-CE1 3.83Å; F393-F533 HydrophobicContact CB-CZ 4.03Å; F393-F533 HydrophobicContact CD2-CB 4.42Å; F393-F533 AromaticContact CD2-CD1 3.98Å; F393-F533 HydrophobicContact CD2-CD1 3.98Å; F393-F533 AromaticContact CD2-CD2 3.6Å; F393-F533 HydrophobicContact CD2-CD2 3.6Å; F393-F533 HydrophobicContact CD2-CE1 4.07Å; F393-F533 AromaticContact CD2-CE2 3.71Å; F393-F533 HydrophobicContact CD2-CE2 3.71Å; F393-F533 AromaticContact CD2-CG 3.75Å; F393-F533 HydrophobicContact CD2-CG 3.75Å; F393-F533 AromaticContact CD2-CZ 3.93Å; F393-F533 HydrophobicContact CD2-CZ 3.93Å; F393-F533 HydrophobicContact CE2-CD2 4.08Å; F393-F533 HydrophobicContact CE2-CE2 4.41Å; F393-F533 HydrophobicContact CE2-CG 4.39Å; F393-F533 HydrophobicContact CG-CE1 4.48Å; F393-F533 HydrophobicContact CG-CZ 4.47Å
394	L	97	Very high	93.8	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.5	-41.2	174.8	-66.2	173.1	0	0	0	111.4	V391 L397 V398 I406 C408 L419 L423 I457 V477 Y479	V391-L394 WeakPolarHBondContact O-CB 3.23Å; V391-L394 PolarHBondContact O-N 3.23Å; V391-L394 VanDerWaalsContact O-N 3.08Å; L394-L397 PolarHBondContact O-N 2.93Å; L394-V398 WeakPolarHBondContact O-CG2 3.4Å; L394-V398 PolarHBondContact O-N 3.28Å; L394-V398 VanDerWaalsContact O-N 3.15Å; L394-I406 HydrophobicContact CD2-CG2 4.35Å; L394-C408 HydrophobicContact CD2-CB 4.5Å; L394-L419 HydrophobicContact CD1-CD1 4.11Å; L394-L419 HydrophobicContact CD1-CD2 4.13Å; L394-L419 HydrophobicContact CD1-CG 4.46Å; L394-L423 HydrophobicContact CB-CD2 4.09Å; L394-L423 HydrophobicContact CD1-CD1 3.88Å; L394-L423 HydrophobicContact CD1-CD2 4.21Å; L394-I457 HydrophobicContact CB-CD1 4.16Å; L394-V477 HydrophobicContact CD2-CB 3.98Å; L394-V477 HydrophobicContact CD2-CG1 3.81Å; L394-V477 HydrophobicContact CD2-CG2 3.93Å; L394-Y479 HydrophobicContact CD1-CD2 4.27Å
395	V	96.3	Very high	93.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.2	-46.8	174.4	176.9	0	0	0	0	110.9	V391 L392 F393 L397 V398 R399 F426 I429 F541	V391-V395 PolarHBondContact O-N 2.82Å; L392-V395 PolarHBondContact O-N 3.14Å; F393-V395 VanDerWaalsContact C-N 3.35Å; V395-L397 VanDerWaalsContact C-N 3.34Å; V395-L397 PolarHBondContact O-N 2.95Å; V395-V398 PolarHBondContact O-N 3.45Å; V395-R399 HydrophobicContact CG1-CG 4.49Å; V395-R399 WeakPolarHBondContact O-CB 3.25Å; V395-R399 PolarHBondContact O-N 3.48Å; V395-F426 HydrophobicContact CG1-CD1 4.47Å; V395-F426 HydrophobicContact CG2-CD1 3.9Å; V395-F426 HydrophobicContact CG2-CD2 4.26Å; V395-F426 HydrophobicContact CG2-CE1 3.76Å; V395-F426 HydrophobicContact CG2-CE2 4.11Å; V395-F426 HydrophobicContact CG2-CG 4.14Å; V395-F426 HydrophobicContact CG2-CZ 3.83Å; V395-I429 HydrophobicContact CB-CD1 4.07Å; V395-I429 HydrophobicContact CG1-CD1 3.98Å; V395-I429 HydrophobicContact CG2-CD1 3.65Å; V395-F541 HydrophobicContact CG1-CD1 4.06Å; V395-F541 HydrophobicContact CG1-CD2 4.01Å; V395-F541 HydrophobicContact CG1-CE1 4.16Å; V395-F541 HydrophobicContact CG1-CE2 4.11Å; V395-F541 HydrophobicContact CG1-CG 4Å; V395-F541 HydrophobicContact CG1-CZ 4.17Å
396	Y	95.7	Very high	93.9	Very high	11 Å²	11	47.1 Å²	47.1	4%	0.043	22%	0.218	C	C	.	.	H	α-helix	trans	-57.7	-44.2	175.8	164.6	-99	0	0	0	112.1	L392 F393 V398 R399 Q400 K401 F533 K537	L392-Y396 VanDerWaalsContact O-CB 3.26Å; L392-Y396 WeakPolarHBondContact O-CB 3.25Å; L392-Y396 PolarHBondContact O-N 3.3Å; F393-Y396 HydrophobicContact CD2-CD1 4.25Å; F393-Y396 HydrophobicContact CE2-CD1 4.15Å; F393-Y396 HydrophobicContact CE2-CE1 4.35Å; F393-Y396 WeakPolarHBondContact O-CB 3.35Å; F393-Y396 PolarHBondContact O-N 3.01Å; Y396-V398 VanDerWaalsContact C-N 3.34Å; Y396-V398 PolarHBondContact O-N 3.39Å; Y396-R399 PolarHBondContact O-N 2.93Å; Y396-Q400 HydrophobicContact CD2-CB 3.86Å; Y396-Q400 HydrophobicContact CD2-CG 3.98Å; Y396-Q400 HydrophobicContact CE2-CB 3.89Å; Y396-Q400 HydrophobicContact CE2-CG 4.29Å; Y396-Q400 WeakPolarHBondContact O-CB 3.01Å; Y396-Q400 PolarHBondContact O-N 3.46Å; Y396-K401 HydrophobicContact CD1-CG 4.41Å; Y396-K401 HydrophobicContact CE1-CG 3.72Å; Y396-K401 PolarHBondContact O-N 2.95Å; Y396-K401 WeakPolarHBondContact OH-CE 3.49Å; Y396-F533 AromaticContact CD1-CE2 3.98Å; Y396-F533 HydrophobicContact CD1-CE2 3.98Å; Y396-F533 HydrophobicContact CD2-CE2 4.25Å; Y396-F533 AromaticContact CG-CE2 3.81Å; Y396-F533 HydrophobicContact CG-CE2 3.81Å; Y396-F533 HydrophobicContact CG-CZ 4.41Å; Y396-K537 HydrophobicContact CD2-CB 4.04Å; Y396-K537 HydrophobicContact CE2-CB 3.86Å; Y396-K537 HydrophobicContact CE2-CD 4.16Å; Y396-K537 HydrophobicContact CE2-CG 4.09Å
397	L	96.4	Very high	94.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61	-43.1	178.1	-72.9	-177	0	0	0	112	F393 L394 V395 K401 H402 K403 I406 V477 Y505	F393-L397 HydrophobicContact CD1-CD1 3.99Å; F393-L397 HydrophobicContact CD1-CG 4.11Å; F393-L397 HydrophobicContact CE1-CD1 3.62Å; F393-L397 HydrophobicContact CE1-CD2 4.05Å; F393-L397 HydrophobicContact CE1-CG 3.81Å; F393-L397 HydrophobicContact CZ-CD1 4.43Å; F393-L397 HydrophobicContact CZ-CD2 4.04Å; F393-L397 HydrophobicContact CZ-CG 4.25Å; F393-L397 WeakPolarHBondContact O-CG 3.39Å; F393-L397 PolarHBondContact O-N 3.41Å; L394-L397 PolarHBondContact O-N 2.93Å; V395-L397 VanDerWaalsContact C-N 3.34Å; V395-L397 PolarHBondContact O-N 2.95Å; L397-K401 HydrophobicContact CD2-CB 4.31Å; L397-K401 HydrophobicContact CD2-CG 4.28Å; L397-K401 CarbonylContact O-C 3.6Å; L397-K401 WeakPolarHBondContact O-CB 3.22Å; L397-K401 PolarHBondContact O-N 3.4Å; L397-H402 PolarHBondContact O-N 2.82Å; L397-H402 VanDerWaalsContact O-N 3.11Å; L397-K403 HydrophobicContact CB-CB 4.28Å; L397-K403 HydrophobicContact CB-CG 4.34Å; L397-K403 HydrophobicContact CD2-CG 4.28Å; L397-K403 WeakPolarHBondContact O-CB 3.32Å; L397-K403 PolarHBondContact O-N 3.48Å; L397-I406 HydrophobicContact CB-CD1 3.86Å; L397-I406 HydrophobicContact CD1-CD1 4.42Å; L397-V477 HydrophobicContact CD1-CG2 3.56Å; L397-Y505 HydrophobicContact CD1-CD2 3.93Å; L397-Y505 HydrophobicContact CD1-CE2 4.17Å; L397-Y505 HydrophobicContact CD2-CD2 4.21Å; L397-Y505 HydrophobicContact CD2-CE2 3.7Å
398	V	95.2	Very high	94.5	Very high	11 Å²	11	36.7 Å²	36.7	7%	0.067	16%	0.164	C	C	.	.	H	α-helix	trans	-70.3	-46.2	179.6	174.5	0	0	0	0	111.7	L394 V395 Y396 H402 I406 I457	L394-V398 WeakPolarHBondContact O-CG2 3.4Å; L394-V398 PolarHBondContact O-N 3.28Å; L394-V398 VanDerWaalsContact O-N 3.15Å; V395-V398 PolarHBondContact O-N 3.45Å; Y396-V398 VanDerWaalsContact C-N 3.34Å; Y396-V398 PolarHBondContact O-N 3.39Å; V398-H402 WeakPolarHBondContact O-CA 2.98Å; V398-I406 HydrophobicContact CG2-CD1 3.66Å; V398-I457 HydrophobicContact CG2-CD1 3.81Å; V398-I457 HydrophobicContact CG2-CG1 3.94Å
399	R	93.7	Very high	94.9	Very high	76 Å²	76	32.5 Å²	32.5	29%	0.287	14%	0.142	S	C	.	.	H	α-helix	trans	-87.7	-40.5	-169.5	-69.5	-172.3	175.8	171.4	1.8	114.5	V395 Y396 H402 K427 F541 E544	V395-R399 HydrophobicContact CG1-CG 4.49Å; V395-R399 WeakPolarHBondContact O-CB 3.25Å; V395-R399 PolarHBondContact O-N 3.48Å; Y396-R399 PolarHBondContact O-N 2.93Å; R399-H402 PolarHBondContact O-CE1 3.4Å; R399-K427 PolarHBondContact NH2-O 3.02Å; R399-F541 HydrophobicContact CB-CE1 4.46Å; R399-F541 HydrophobicContact CB-CZ 4.13Å; R399-E544 IonicContact CZ-OE1 3.8Å; R399-E544 IonicContact CZ-OE2 3.25Å; R399-E544 VanDerWaalsContact CZ-OE2 3.25Å; R399-E544 IonicContact NH1-OE1 3.94Å; R399-E544 IonicContact NH1-OE2 2.64Å; R399-E544 PolarHBondContact NH1-OE2 2.91Å; R399-E544 VanDerWaalsContact NH2-CD 3.28Å; R399-E544 IonicContact NH2-OE1 2.8Å; R399-E544 PolarHBondContact NH2-OE1 3.01Å; R399-E544 IonicContact NH2-OE2 2.96Å; R399-E544 PolarHBondContact NH2-OE2 3.09Å
400	Q	92.9	Very high	95.1	Very high	81 Å²	81	31.7 Å²	31.7	38%	0.379	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-35.4	-176.1	-63.7	-161.2	6.3	0	0	113.3	Y396 H540 F541	Y396-Q400 HydrophobicContact CD2-CB 3.86Å; Y396-Q400 HydrophobicContact CD2-CG 3.98Å; Y396-Q400 HydrophobicContact CE2-CB 3.89Å; Y396-Q400 HydrophobicContact CE2-CG 4.29Å; Y396-Q400 WeakPolarHBondContact O-CB 3.01Å; Y396-Q400 PolarHBondContact O-N 3.46Å; Q400-H540 PolarHBondContact NE2-CE1 3.46Å; Q400-H540 PolarHBondContact NE2-NE2 2.88Å; Q400-F541 HydrophobicContact CG-CZ 4.25Å
401	K	93.5	Very high	95	Very high	107 Å²	107	34 Å²	34	47%	0.465	15%	0.151	S	C	.	.	S	Bend	trans	-91.7	-3	176	-65.3	-70	178.1	-177.3	0	113	Y396 L397 K403	Y396-K401 HydrophobicContact CD1-CG 4.41Å; Y396-K401 HydrophobicContact CE1-CG 3.72Å; Y396-K401 PolarHBondContact O-N 2.95Å; Y396-K401 WeakPolarHBondContact OH-CE 3.49Å; L397-K401 HydrophobicContact CD2-CB 4.31Å; L397-K401 HydrophobicContact CD2-CG 4.28Å; L397-K401 CarbonylContact O-C 3.6Å; L397-K401 WeakPolarHBondContact O-CB 3.22Å; L397-K401 PolarHBondContact O-N 3.4Å; K401-K403 HydrophobicContact CB-CG 3.93Å; K401-K403 PolarHBondContact O-N 3.23Å
402	H	93.6	Very high	94.9	Very high	136 Å²	136	37.3 Å²	37.3	63%	0.63	17%	0.171	S	C	*	.			trans	49.4	29.7	180	-58.3	-70.1	0	0	0	113.7	L397 V398 R399	L397-H402 PolarHBondContact O-N 2.82Å; L397-H402 VanDerWaalsContact O-N 3.11Å; V398-H402 WeakPolarHBondContact O-CA 2.98Å; R399-H402 PolarHBondContact O-CE1 3.4Å
403	K	93.5	Very high	94.7	Very high	33 Å²	33	39.7 Å²	39.7	14%	0.143	19%	0.186	C	C	.	.			trans	-68.3	132.5	179.1	-68.1	-60.3	-174.1	173.7	0	109.6	L397 K401 I406 E474 C475 T503	L397-K403 HydrophobicContact CB-CB 4.28Å; L397-K403 HydrophobicContact CB-CG 4.34Å; L397-K403 HydrophobicContact CD2-CG 4.28Å; L397-K403 WeakPolarHBondContact O-CB 3.32Å; L397-K403 PolarHBondContact O-N 3.48Å; K401-K403 HydrophobicContact CB-CG 3.93Å; K401-K403 PolarHBondContact O-N 3.23Å; K403-I406 HydrophobicContact CB-CD1 3.84Å; K403-I406 HydrophobicContact CB-CG1 4.04Å; K403-E474 WeakPolarHBondContact CD-OE1 3.25Å; K403-E474 IonicContact NZ-OE1 2.97Å; K403-E474 PolarHBondContact NZ-OE1 3.4Å; K403-C475 HydrophobicContact CD-CB 4.46Å; K403-T503 PolarHBondContact NZ-OG1 3.2Å
404	K	91.3	Very high	94.5	Very high	125 Å²	125	44.2 Å²	44.2	54%	0.543	21%	0.21	S	C	.	.			trans	-112.1	164.7	175.7	-61.3	178.3	-175	176.4	0	109.2	I406 E474	K404-I406 VanDerWaalsContact C-N 3.31Å; K404-I406 PolarHBondContact O-N 2.57Å; K404-E474 PolarHBondContact N-OE2 3.43Å; K404-E474 WeakPolarHBondContact O-CB 3.35Å
405	R	93.1	Very high	94.3	Very high	62 Å²	62	45.5 Å²	45.5	23%	0.234	22%	0.219	C	C	.	.	S	Bend	trans	46.1	54.5	176	-58.9	-176.5	-60.1	-89.3	-7.9	112.4	L407 F450 Q456 D472	R405-L407 PolarHBondContact O-N 3.28Å; R405-F450 VanDerWaalsContact C-CE2 3.48Å; R405-F450 VanDerWaalsContact CA-CE2 3.45Å; R405-F450 VanDerWaalsContact CA-CZ 3.49Å; R405-F450 HydrophobicContact CB-CE1 4.18Å; R405-F450 HydrophobicContact CB-CE2 4.14Å; R405-F450 HydrophobicContact CB-CZ 3.86Å; R405-F450 WeakPolarHBondContact CD-O 3.17Å; R405-F450 WeakPolarHBondContact CG-O 3.36Å; R405-F450 WeakPolarHBondContact O-CZ 3.42Å; R405-Q456 PolarHBondContact N-O 3.01Å; R405-D472 PolarHBondContact NE-O 3.16Å; R405-D472 PolarHBondContact NH2-O 2.89Å
406	I	96.1	Very high	94.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	114.5	178.9	-53.7	178.8	0	0	0	108.8	L394 L397 V398 K403 K404 F450 Q456 I457 L458 C475 V477	L394-I406 HydrophobicContact CD2-CG2 4.35Å; L397-I406 HydrophobicContact CB-CD1 3.86Å; L397-I406 HydrophobicContact CD1-CD1 4.42Å; V398-I406 HydrophobicContact CG2-CD1 3.66Å; K403-I406 HydrophobicContact CB-CD1 3.84Å; K403-I406 HydrophobicContact CB-CG1 4.04Å; K404-I406 VanDerWaalsContact C-N 3.31Å; K404-I406 PolarHBondContact O-N 2.57Å; I406-F450 WeakPolarHBondContact O-CE2 3.35Å; I406-Q456 PolarHBondContact N-O 2.78Å; I406-I457 HydrophobicContact CB-CG1 4.24Å; I406-I457 HydrophobicContact CD1-CG1 4.25Å; I406-I457 CarbonylContact O-C 3.54Å; I406-I457 WeakPolarHBondContact O-CA 3.33Å; I406-L458 PolarHBondContact O-N 2.87Å; I406-C475 CarbonylContact C-O 3.35Å; I406-C475 WeakPolarHBondContact CA-O 3.32Å; I406-C475 HydrophobicContact CG1-CB 4.22Å; I406-V477 HydrophobicContact CG2-CB 4.41Å; I406-V477 HydrophobicContact CG2-CG2 3.64Å
407	L	95.5	Very high	94.1	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.016	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	111.6	172	-175.5	65.1	0	0	0	109.3	R405 F409 F450 L458 A465 I470 V473 C475 V476 V477 R494	R405-L407 PolarHBondContact O-N 3.28Å; L407-F409 HydrophobicContact CD2-CE2 3.78Å; L407-F409 HydrophobicContact CD2-CZ 3.89Å; L407-F409 HydrophobicContact CG-CE2 3.96Å; L407-F409 HydrophobicContact CG-CZ 4.3Å; L407-F450 HydrophobicContact CB-CZ 4.4Å; L407-L458 HydrophobicContact CD1-CB 4.2Å; L407-L458 HydrophobicContact CD1-CD2 3.97Å; L407-L458 HydrophobicContact CD1-CG 4.18Å; L407-A465 HydrophobicContact CD2-CB 4.47Å; L407-I470 HydrophobicContact CD1-CD1 4.13Å; L407-V473 HydrophobicContact CB-CG1 3.72Å; L407-C475 PolarHBondContact N-O 3.43Å; L407-V476 HydrophobicContact CB-CG2 4.38Å; L407-V476 CarbonylContact O-C 3.53Å; L407-V476 WeakPolarHBondContact O-CA 3.37Å; L407-V477 PolarHBondContact O-N 2.93Å; L407-R494 HydrophobicContact CD2-CB 3.6Å; L407-R494 HydrophobicContact CD2-CG 3.83Å
408	C	96.7	Very high	93.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	126.7	-174.8	-173.5	0	0	0	0	111.2	L394 I457 L458 V459 C460 V477	L394-C408 HydrophobicContact CD2-CB 4.5Å; C408-I457 HydrophobicContact CB-CG2 4.03Å; C408-L458 PolarHBondContact N-O 3.04Å; C408-V459 HydrophobicContact CB-CG2 4.25Å; C408-V459 CarbonylContact O-C 3.53Å; C408-V459 WeakPolarHBondContact O-CA 3.33Å; C408-C460 PolarHBondContact O-N 2.9Å; C408-V477 CarbonylContact C-O 3.59Å; C408-V477 WeakPolarHBondContact CA-O 3.44Å
409	F	96.6	Very high	93.9	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.009	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	123.2	-178.4	-77	-80.5	0	0	0	112.2	L407 C460 A465 V476 V477 Y479 D480 R491 R494	L407-F409 HydrophobicContact CD2-CE2 3.78Å; L407-F409 HydrophobicContact CD2-CZ 3.89Å; L407-F409 HydrophobicContact CG-CE2 3.96Å; L407-F409 HydrophobicContact CG-CZ 4.3Å; F409-C460 WeakPolarHBondContact CA-O 3.39Å; F409-A465 HydrophobicContact CD1-CB 4.45Å; F409-A465 HydrophobicContact CE1-CB 3.24Å; F409-A465 HydrophobicContact CZ-CB 3.33Å; F409-V476 HydrophobicContact CD2-CG1 3.82Å; F409-V476 HydrophobicContact CE2-CG1 3.8Å; F409-V477 PolarHBondContact N-O 2.95Å; F409-Y479 WeakPolarHBondContact O-CB 3.4Å; F409-Y479 PolarHBondContact O-N 3.02Å; F409-D480 PolarHBondContact O-N 3.34Å; F409-R491 HydrophobicContact CB-CG 4.38Å; F409-R491 HydrophobicContact CD1-CG 3.92Å; F409-R491 HydrophobicContact CD2-CB 3.89Å; F409-R491 HydrophobicContact CD2-CG 3.76Å; F409-R491 HydrophobicContact CE1-CG 4.05Å; F409-R491 HydrophobicContact CE2-CB 3.84Å; F409-R491 HydrophobicContact CE2-CG 3.92Å; F409-R491 HydrophobicContact CG-CB 4.4Å; F409-R491 HydrophobicContact CG-CG 3.76Å; F409-R491 HydrophobicContact CZ-CB 4.31Å; F409-R491 HydrophobicContact CZ-CG 4.06Å; F409-R494 HydrophobicContact CE2-CG 4.07Å; F409-R494 HydrophobicContact CZ-CG 3.81Å
410	A	95.7	Very high	94	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	151.2	166.9	0	0	0	0	0	110.3	C415 A416 C460 T461 D480	A410-C415 HydrophobicContact CB-CB 4.11Å; A410-A416 HydrophobicContact CB-CB 3.96Å; A410-C460 PolarHBondContact N-O 3.48Å; A410-T461 WeakPolarHBondContact O-CA 3.32Å; A410-D480 WeakPolarHBondContact CA-OD2 3.18Å
411	N	93.6	Very high	94	Very high	62 Å²	62	53.1 Å²	53.1	33%	0.332	25%	0.251	S	S	.	.	S	Bend	trans	-74.3	-30.8	-176.2	-74.9	-2.2	0	0	0	112.2	D480 V481 R491	N411-D480 HydrophobicContact CB-CB 4.01Å; N411-D480 VanDerWaalsContact CG-CB 3.43Å; N411-D480 PolarHBondContact N-OD2 3.36Å; N411-D480 WeakPolarHBondContact OD1-CB 3.16Å; N411-V481 PolarHBondContact ND2-O 2.82Å; N411-V481 PolarHBondContact OD1-O 3.06Å; N411-R491 PolarHBondContact OD1-NH2 3.12Å
412	T	93.4	Very high	94	Very high	74 Å²	74	48.7 Å²	48.7	45%	0.454	23%	0.232	S	C	.	.	S	Bend	trans	-121.2	153.1	-178.1	71	0	0	0	0	112.2	D414 C415 A416	T412-D414 VanDerWaalsContact C-N 3.3Å; T412-D414 PolarHBondContact O-N 3.36Å; T412-C415 PolarHBondContact O-N 3.08Å; T412-C415 WeakPolarHBondContact OG1-CB 3.3Å; T412-C415 PolarHBondContact OG1-N 2.67Å; T412-C415 VanDerWaalsContact OG1-N 3.08Å; T412-A416 WeakPolarHBondContact O-CB 2.95Å; T412-A416 PolarHBondContact O-N 2.72Å
413	V	91.7	Very high	94.1	Very high	50 Å²	50	42.2 Å²	42.2	30%	0.303	20%	0.202	S	C	.	.	H	α-helix	trans	-60.9	-41.5	176.3	176.1	0	0	0	0	110.5	A416 K417 F433 T461	V413-A416 PolarHBondContact O-N 3.3Å; V413-K417 WeakPolarHBondContact O-CB 3.49Å; V413-K417 PolarHBondContact O-N 3.07Å; V413-F433 HydrophobicContact CG1-CZ 3.91Å; V413-T461 HydrophobicContact CG2-CG2 4Å
414	D	92.2	Very high	94	Very high	95 Å²	95	43.5 Å²	43.5	51%	0.508	22%	0.22	S	C	.	.	H	α-helix	trans	-65.8	-42.9	177.9	-64.5	-51.7	0	0	0	112.3	T412 A416 K417 R418	T412-D414 VanDerWaalsContact C-N 3.3Å; T412-D414 PolarHBondContact O-N 3.36Å; D414-A416 VanDerWaalsContact C-N 3.34Å; D414-A416 PolarHBondContact O-N 3.19Å; D414-K417 PolarHBondContact O-N 3.4Å; D414-R418 VanDerWaalsContact O-CB 3.28Å; D414-R418 WeakPolarHBondContact O-CB 3.49Å; D414-R418 WeakPolarHBondContact O-CG 3.12Å; D414-R418 PolarHBondContact O-N 3.42Å
415	C	93.3	Very high	93.9	Very high	27 Å²	27	39.3 Å²	39.3	18%	0.182	21%	0.206	C	C	.	.	H	α-helix	trans	-60.3	-46.5	174.9	-175.4	0	0	0	0	110.7	A410 T412 K417 R418 L419 D480	A410-C415 HydrophobicContact CB-CB 4.11Å; T412-C415 PolarHBondContact O-N 3.08Å; T412-C415 WeakPolarHBondContact OG1-CB 3.3Å; T412-C415 PolarHBondContact OG1-N 2.67Å; T412-C415 VanDerWaalsContact OG1-N 3.08Å; C415-K417 PolarHBondContact O-N 2.96Å; C415-R418 PolarHBondContact O-N 2.86Å; C415-L419 WeakPolarHBondContact O-CB 3.39Å; C415-L419 PolarHBondContact O-N 2.67Å; C415-D480 PolarHBondContact SG-OD2 2.85Å
416	A	94.5	Very high	93.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.3	-44.1	177.6	0	0	0	0	0	112.6	A410 T412 V413 D414 N420 F433 V459 T461	A410-A416 HydrophobicContact CB-CB 3.96Å; T412-A416 WeakPolarHBondContact O-CB 2.95Å; T412-A416 PolarHBondContact O-N 2.72Å; V413-A416 PolarHBondContact O-N 3.3Å; D414-A416 VanDerWaalsContact C-N 3.34Å; D414-A416 PolarHBondContact O-N 3.19Å; A416-N420 WeakPolarHBondContact O-CB 3.25Å; A416-N420 PolarHBondContact O-N 2.71Å; A416-F433 HydrophobicContact CB-CD2 3.56Å; A416-F433 HydrophobicContact CB-CE2 3.24Å; A416-F433 HydrophobicContact CB-CZ 4.15Å; A416-V459 HydrophobicContact CB-CG1 3.83Å; A416-T461 HydrophobicContact CB-CG2 4.5Å
417	K	92.9	Very high	93.5	Very high	110 Å²	110	45 Å²	45	48%	0.478	23%	0.232	S	C	.	.	H	α-helix	trans	-64.3	-49.3	177.2	-175.6	-178.6	176.8	-174	0	111.3	V413 D414 C415 N420 M421 F433	V413-K417 WeakPolarHBondContact O-CB 3.49Å; V413-K417 PolarHBondContact O-N 3.07Å; D414-K417 PolarHBondContact O-N 3.4Å; C415-K417 PolarHBondContact O-N 2.96Å; K417-N420 PolarHBondContact O-N 3.34Å; K417-M421 HydrophobicContact CG-CE 4.36Å; K417-M421 WeakPolarHBondContact O-CG 3.48Å; K417-M421 PolarHBondContact O-N 2.94Å; K417-F433 HydrophobicContact CB-CD1 4.3Å; K417-F433 HydrophobicContact CB-CE1 4.12Å
418	R	93.3	Very high	93.2	Very high	145 Å²	145	48.1 Å²	48.1	55%	0.547	27%	0.265	S	S	.	.	H	α-helix	trans	-59.4	-47.1	178.1	-72.8	-179.1	-176.2	160.1	2.5	111.5	D414 C415 N420 M421 L422 Y552	D414-R418 VanDerWaalsContact O-CB 3.28Å; D414-R418 WeakPolarHBondContact O-CB 3.49Å; D414-R418 WeakPolarHBondContact O-CG 3.12Å; D414-R418 PolarHBondContact O-N 3.42Å; C415-R418 PolarHBondContact O-N 2.86Å; R418-N420 PolarHBondContact O-N 2.86Å; R418-M421 HydrophobicContact CG-CE 4.34Å; R418-M421 PolarHBondContact O-N 2.85Å; R418-L422 PolarHBondContact O-N 3.01Å; R418-Y552 HydrophobicContact CB-CE2 4.49Å; R418-Y552 WeakPolarHBondContact CB-OH 3.41Å; R418-Y552 WeakPolarHBondContact CG-OH 3.11Å; R418-Y552 WeakPolarHBondContact O-CE2 3.41Å
419	L	95.4	Very high	93.1	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-59	-46	177	178.5	58.3	0	0	0	111.7	V391 L394 C415 M421 L422 L423 V459 Y479	V391-L419 HydrophobicContact CG1-CD1 4.38Å; V391-L419 HydrophobicContact CG2-CD1 3.81Å; L394-L419 HydrophobicContact CD1-CD1 4.11Å; L394-L419 HydrophobicContact CD1-CD2 4.13Å; L394-L419 HydrophobicContact CD1-CG 4.46Å; C415-L419 WeakPolarHBondContact O-CB 3.39Å; C415-L419 PolarHBondContact O-N 2.67Å; L419-M421 PolarHBondContact O-N 2.75Å; L419-L422 PolarHBondContact O-N 3.31Å; L419-L423 HydrophobicContact CD1-CD1 4.07Å; L419-L423 HydrophobicContact CD1-CG 4.15Å; L419-L423 HydrophobicContact CG-CD1 3.95Å; L419-L423 HydrophobicContact CG-CG 4.46Å; L419-L423 WeakPolarHBondContact O-CB 3.31Å; L419-L423 VanDerWaalsContact O-CG 3.3Å; L419-L423 WeakPolarHBondContact O-CG 3.46Å; L419-L423 PolarHBondContact O-N 2.73Å; L419-V459 HydrophobicContact CB-CG1 4.46Å; L419-V459 HydrophobicContact CD2-CG1 3.9Å; L419-V459 HydrophobicContact CD2-CG2 4.37Å; L419-V459 HydrophobicContact CG-CG1 4.38Å; L419-V459 HydrophobicContact CG-CG2 4.39Å; L419-Y479 HydrophobicContact CD1-CD2 4.18Å; L419-Y479 HydrophobicContact CD1-CE2 3.71Å; L419-Y479 HydrophobicContact CD2-CD1 3.98Å; L419-Y479 HydrophobicContact CD2-CD2 3.69Å; L419-Y479 HydrophobicContact CD2-CE1 4.3Å; L419-Y479 HydrophobicContact CD2-CE2 4.01Å; L419-Y479 HydrophobicContact CD2-CG 3.67Å
420	N	95.2	Very high	93	Very high	28 Å²	28	54.9 Å²	54.9	15%	0.15	30%	0.295	C	S	.	.	H	α-helix	trans	-63.1	-41.1	177.6	172.9	82.1	0	0	0	113	A416 K417 R418 L422 L423 A424 S431 K432 F433 V459	A416-N420 WeakPolarHBondContact O-CB 3.25Å; A416-N420 PolarHBondContact O-N 2.71Å; K417-N420 PolarHBondContact O-N 3.34Å; R418-N420 PolarHBondContact O-N 2.86Å; N420-L422 VanDerWaalsContact C-N 3.34Å; N420-L423 PolarHBondContact O-N 3.4Å; N420-A424 WeakPolarHBondContact O-CB 3.44Å; N420-A424 PolarHBondContact O-N 3.06Å; N420-S431 VanDerWaalsContact OD1-C 3.31Å; N420-S431 PolarHBondContact OD1-O 3.26Å; N420-S431 PolarHBondContact OD1-OG 3.22Å; N420-K432 WeakPolarHBondContact OD1-CA 3.47Å; N420-K432 PolarHBondContact OD1-N 2.68Å; N420-F433 HydrophobicContact CB-CB 3.62Å; N420-F433 PolarHBondContact OD1-N 3.29Å; N420-F433 VanDerWaalsContact OD1-N 3.14Å; N420-V459 HydrophobicContact CB-CG2 4.34Å
421	M	92.3	Very high	93	Very high	53 Å²	53	55.4 Å²	55.4	26%	0.261	30%	0.298	S	S	.	.	H	α-helix	trans	-63.3	-41.2	176.8	-70.3	-173.5	-57.7	0	0	111.8	K417 R418 L419 A424 S425 Y552 I556	K417-M421 HydrophobicContact CG-CE 4.36Å; K417-M421 WeakPolarHBondContact O-CG 3.48Å; K417-M421 PolarHBondContact O-N 2.94Å; R418-M421 HydrophobicContact CG-CE 4.34Å; R418-M421 PolarHBondContact O-N 2.85Å; L419-M421 PolarHBondContact O-N 2.75Å; M421-A424 PolarHBondContact O-N 3.24Å; M421-S425 PolarHBondContact O-N 3.09Å; M421-S425 PolarHBondContact O-OG 3.29Å; M421-S425 VanDerWaalsContact O-OG 3.07Å; M421-Y552 HydrophobicContact CB-CD2 3.81Å; M421-Y552 HydrophobicContact CB-CE2 3.78Å; M421-Y552 HydrophobicContact CE-CE2 3.83Å; M421-I556 HydrophobicContact CE-CD1 4.3Å; M421-I556 HydrophobicContact CE-CG1 4.3Å
422	L	94.2	Very high	93	Very high	13 Å²	13	57.3 Å²	57.3	7%	0.068	30%	0.304	C	S	.	.	H	α-helix	trans	-67.9	-44.3	176.6	-179.4	55.9	0	0	0	111.8	V391 R418 L419 N420 A424 S425 F426 Y545 A548 L549 Y552	V391-L422 HydrophobicContact CB-CD2 4.39Å; V391-L422 HydrophobicContact CG1-CD2 4.09Å; V391-L422 HydrophobicContact CG1-CG 4.16Å; V391-L422 HydrophobicContact CG2-CD2 3.78Å; R418-L422 PolarHBondContact O-N 3.01Å; L419-L422 PolarHBondContact O-N 3.31Å; N420-L422 VanDerWaalsContact C-N 3.34Å; L422-A424 VanDerWaalsContact C-N 3.31Å; L422-A424 PolarHBondContact O-N 3.38Å; L422-S425 WeakPolarHBondContact O-CB 3.21Å; L422-S425 PolarHBondContact O-N 2.94Å; L422-S425 VanDerWaalsContact O-N 3.08Å; L422-F426 HydrophobicContact CD1-CE2 4.5Å; L422-F426 HydrophobicContact CG-CE2 4.44Å; L422-F426 WeakPolarHBondContact O-CD2 3.17Å; L422-Y545 HydrophobicContact CD1-CE2 4.48Å; L422-Y545 HydrophobicContact CD2-CE2 4.21Å; L422-A548 HydrophobicContact CD1-CB 4.11Å; L422-L549 HydrophobicContact CD1-CD2 3.89Å; L422-L549 HydrophobicContact CD1-CG 4.32Å; L422-L549 HydrophobicContact CD2-CD2 4.05Å; L422-Y552 HydrophobicContact CB-CD2 4.07Å; L422-Y552 HydrophobicContact CB-CE2 4.35Å; L422-Y552 HydrophobicContact CB-CG 4.43Å; L422-Y552 HydrophobicContact CD1-CG 4.36Å
423	L	95	Very high	93	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.7	-38.5	175.3	-74.5	169.9	0	0	0	112.7	V391 L394 L419 N420 S425 F426 I457 V459	V391-L423 HydrophobicContact CG1-CD2 3.95Å; V391-L423 HydrophobicContact CG1-CG 4.47Å; L394-L423 HydrophobicContact CB-CD2 4.09Å; L394-L423 HydrophobicContact CD1-CD1 3.88Å; L394-L423 HydrophobicContact CD1-CD2 4.21Å; L419-L423 HydrophobicContact CD1-CD1 4.07Å; L419-L423 HydrophobicContact CD1-CG 4.15Å; L419-L423 HydrophobicContact CG-CD1 3.95Å; L419-L423 HydrophobicContact CG-CG 4.46Å; L419-L423 WeakPolarHBondContact O-CB 3.31Å; L419-L423 VanDerWaalsContact O-CG 3.3Å; L419-L423 WeakPolarHBondContact O-CG 3.46Å; L419-L423 PolarHBondContact O-N 2.73Å; N420-L423 PolarHBondContact O-N 3.4Å; L423-S425 PolarHBondContact O-N 3.39Å; L423-F426 PolarHBondContact O-N 2.94Å; L423-I457 HydrophobicContact CD1-CD1 4.19Å; L423-I457 HydrophobicContact CD1-CG2 4.12Å; L423-I457 HydrophobicContact CD2-CD1 4.14Å; L423-V459 HydrophobicContact CD1-CG2 3.97Å
424	A	91.8	Very high	92.9	Very high	61 Å²	61	53 Å²	53	50%	0.504	28%	0.275	S	S	.	.	H	α-helix	trans	-66.6	-17.3	177.4	0	0	0	0	0	113.2	N420 M421 L422	N420-A424 WeakPolarHBondContact O-CB 3.44Å; N420-A424 PolarHBondContact O-N 3.06Å; M421-A424 PolarHBondContact O-N 3.24Å; L422-A424 VanDerWaalsContact C-N 3.31Å; L422-A424 PolarHBondContact O-N 3.38Å
425	S	90.5	Very high	92.6	Very high	36 Å²	36	48.9 Å²	48.9	25%	0.252	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-12	177.4	-58.2	0	0	0	0	112.9	M421 L422 L423	M421-S425 PolarHBondContact O-N 3.09Å; M421-S425 PolarHBondContact O-OG 3.29Å; M421-S425 VanDerWaalsContact O-OG 3.07Å; L422-S425 WeakPolarHBondContact O-CB 3.21Å; L422-S425 PolarHBondContact O-N 2.94Å; L422-S425 VanDerWaalsContact O-N 3.08Å; L423-S425 PolarHBondContact O-N 3.39Å
426	F	91.7	Very high	91.9	Very high	6 Å²	6	50.5 Å²	50.5	3%	0.026	27%	0.265	C	S	.	.	S	Bend	trans	-81.4	137.1	172.4	-74.2	-94.5	0	0	0	111.2	V391 L392 V395 L422 L423 G428 I429 E544 Y545 A548	V391-F426 HydrophobicContact CG1-CE2 3.87Å; V391-F426 HydrophobicContact CG1-CZ 4.33Å; L392-F426 HydrophobicContact CD2-CE1 4.32Å; L392-F426 HydrophobicContact CD2-CZ 4.19Å; V395-F426 HydrophobicContact CG1-CD1 4.47Å; V395-F426 HydrophobicContact CG2-CD1 3.9Å; V395-F426 HydrophobicContact CG2-CD2 4.26Å; V395-F426 HydrophobicContact CG2-CE1 3.76Å; V395-F426 HydrophobicContact CG2-CE2 4.11Å; V395-F426 HydrophobicContact CG2-CG 4.14Å; V395-F426 HydrophobicContact CG2-CZ 3.83Å; L422-F426 HydrophobicContact CD1-CE2 4.5Å; L422-F426 HydrophobicContact CG-CE2 4.44Å; L422-F426 WeakPolarHBondContact O-CD2 3.17Å; L423-F426 PolarHBondContact O-N 2.94Å; F426-G428 PolarHBondContact O-N 3.39Å; F426-I429 HydrophobicContact CB-CB 4.19Å; F426-I429 HydrophobicContact CB-CD1 3.65Å; F426-I429 HydrophobicContact CB-CG1 3.98Å; F426-I429 HydrophobicContact CG-CD1 4.12Å; F426-I429 PolarHBondContact O-N 3.46Å; F426-E544 HydrophobicContact CD1-CG 3.89Å; F426-E544 HydrophobicContact CE1-CG 4.32Å; F426-Y545 HydrophobicContact CE1-CD2 4.48Å; F426-Y545 HydrophobicContact CE2-CD2 4.26Å; F426-Y545 AromaticContact CZ-CD2 3.57Å; F426-Y545 HydrophobicContact CZ-CD2 3.57Å; F426-Y545 HydrophobicContact CZ-CE2 4.46Å; F426-Y545 HydrophobicContact CZ-CG 4.24Å; F426-A548 HydrophobicContact CD2-CB 4.1Å; F426-A548 HydrophobicContact CE2-CB 3.98Å; F426-A548 HydrophobicContact CG-CB 4.48Å; F426-A548 HydrophobicContact CZ-CB 4.24Å
427	K	88.5	Confident	91.1	Very high	176 Å²	176	58.2 Å²	58.2	77%	0.765	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	133.1	179.8	-68.1	-176.9	179.9	-179.7	0	110.5	R399 I429 E544	R399-K427 PolarHBondContact NH2-O 3.02Å; K427-I429 PolarHBondContact O-N 3.17Å; K427-E544 PolarHBondContact N-OE1 3.48Å
428	G	89.4	Confident	90.6	Very high	69 Å²	69	54.9 Å²	54.9	71%	0.711	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	1.8	175.8	0	0	0	0	0	115.8	F426 Q456	F426-G428 PolarHBondContact O-N 3.39Å; G428-Q456 PolarHBondContact O-OE1 3.47Å
429	I	93.6	Very high	90.1	Very high	11 Å²	11	53.6 Å²	53.6	6%	0.056	29%	0.288	C	S	.	.			trans	-95.7	117.2	175.5	-60.1	-172.5	0	0	0	109.9	V395 F426 K427 S431 I457	V395-I429 HydrophobicContact CB-CD1 4.07Å; V395-I429 HydrophobicContact CG1-CD1 3.98Å; V395-I429 HydrophobicContact CG2-CD1 3.65Å; F426-I429 HydrophobicContact CB-CB 4.19Å; F426-I429 HydrophobicContact CB-CD1 3.65Å; F426-I429 HydrophobicContact CB-CG1 3.98Å; F426-I429 HydrophobicContact CG-CD1 4.12Å; F426-I429 PolarHBondContact O-N 3.46Å; K427-I429 PolarHBondContact O-N 3.17Å; I429-S431 PolarHBondContact O-N 3.19Å; I429-I457 HydrophobicContact CG2-CD1 3.84Å
430	K	94.6	Very high	89.2	Confident	133 Å²	133	55.3 Å²	55.3	58%	0.578	30%	0.3	S	S	*	.			trans	-97.1	93	177.8	-64	-176.7	-176.3	178.2	0	110.5	Q454 C455 Q456 I457	K430-Q454 WeakPolarHBondContact CD-O 3.45Å; K430-C455 PolarHBondContact O-SG 2.83Å; K430-Q456 PolarHBondContact O-N 2.87Å; K430-I457 PolarHBondContact O-N 2.91Å
431	S	95.5	Very high	88.5	Confident	10 Å²	10	58.5 Å²	58.5	7%	0.07	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	146.1	175.8	-169.6	0	0	0	0	112.8	N420 I429 I457	N420-S431 VanDerWaalsContact OD1-C 3.31Å; N420-S431 PolarHBondContact OD1-O 3.26Å; N420-S431 PolarHBondContact OD1-OG 3.22Å; I429-S431 PolarHBondContact O-N 3.19Å; S431-I457 CarbonylContact C-O 3.58Å; S431-I457 VanDerWaalsContact CA-O 3.24Å; S431-I457 WeakPolarHBondContact CA-O 3.48Å; S431-I457 PolarHBondContact OG-O 2.85Å
432	K	94.6	Very high	88.2	Confident	103 Å²	103	61.4 Å²	61.4	45%	0.448	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	151	168.9	-66.4	-65.5	-179.6	-174.8	0	110.1	N420 I446 C455 I457 L458 V459	N420-K432 WeakPolarHBondContact OD1-CA 3.47Å; N420-K432 PolarHBondContact OD1-N 2.68Å; K432-I446 HydrophobicContact CB-CG2 3.93Å; K432-C455 HydrophobicContact CG-CB 4.41Å; K432-I457 PolarHBondContact N-O 2.86Å; K432-L458 HydrophobicContact CB-CD1 4.3Å; K432-L458 WeakPolarHBondContact O-CA 3.4Å; K432-V459 PolarHBondContact O-N 3.44Å
433	F	93.3	Very high	87.8	Confident	32 Å²	32	61.4 Å²	61.4	14%	0.14	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.9	174.5	165.2	-120.1	0	0	0	110.5	V413 A416 K417 N420 S435 V459	V413-F433 HydrophobicContact CG1-CZ 3.91Å; A416-F433 HydrophobicContact CB-CD2 3.56Å; A416-F433 HydrophobicContact CB-CE2 3.24Å; A416-F433 HydrophobicContact CB-CZ 4.15Å; K417-F433 HydrophobicContact CB-CD1 4.3Å; K417-F433 HydrophobicContact CB-CE1 4.12Å; N420-F433 HydrophobicContact CB-CB 3.62Å; N420-F433 PolarHBondContact OD1-N 3.29Å; N420-F433 VanDerWaalsContact OD1-N 3.14Å; F433-S435 VanDerWaalsContact CE1-CB 3.48Å; F433-V459 WeakPolarHBondContact CA-O 3.33Å; F433-V459 WeakPolarHBondContact CD2-O 3.35Å
434	L	89.4	Confident	87.3	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.348	C	S	.	.			trans	-107.5	122.2	174.7	-166.4	69.8	0	0	0	111	L438 R443 I446 L447 L458 V459 C460 I468	L434-L438 HydrophobicContact CD1-CD1 4.42Å; L434-R443 HydrophobicContact CD1-CB 3.87Å; L434-R443 HydrophobicContact CD1-CG 3.79Å; L434-I446 HydrophobicContact CD1-CG2 4.45Å; L434-L447 HydrophobicContact CD2-CD2 4.12Å; L434-L458 HydrophobicContact CB-CD1 4.15Å; L434-V459 PolarHBondContact N-O 2.61Å; L434-C460 HydrophobicContact CB-CB 4.19Å; L434-I468 HydrophobicContact CD2-CD1 3.2Å
435	S	86.6	Confident	87.1	Confident	10 Å²	10	71.4 Å²	71.4	7%	0.07	36%	0.356	C	S	.	.			trans	-122.5	152	179.1	-174.1	0	0	0	0	111.9	F433 H437 L438	F433-S435 VanDerWaalsContact CE1-CB 3.48Å; S435-H437 PolarHBondContact O-N 3.14Å; S435-H437 PolarHBondContact OG-CD2 2.83Å; S435-H437 PolarHBondContact OG-N 2.89Å; S435-L438 WeakPolarHBondContact O-CB 3.36Å; S435-L438 PolarHBondContact O-N 2.81Å
436	S	77.1	Confident	87.1	Confident	61 Å²	61	70.5 Å²	70.5	43%	0.427	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-27.1	174.6	47.6	0	0	0	0	112.2	L438 M464	S436-L438 PolarHBondContact O-N 3.03Å; S436-M464 WeakPolarHBondContact CA-SD 3.12Å; S436-M464 PolarHBondContact N-SD 3.42Å
437	H	78.9	Confident	87	Confident	161 Å²	161	71 Å²	71	75%	0.745	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-6.7	179	-54.3	-64.6	0	0	0	113.5	S435	S435-H437 PolarHBondContact O-N 3.14Å; S435-H437 PolarHBondContact OG-CD2 2.83Å; S435-H437 PolarHBondContact OG-N 2.89Å
438	L	82.3	Confident	86.9	Confident	40 Å²	40	66.4 Å²	66.4	21%	0.209	33%	0.334	C	S	.	.	S	Bend	trans	-78.8	140.1	176.7	-65.6	175.6	0	0	0	110.7	L434 S435 S436 K442 R443 I446	L434-L438 HydrophobicContact CD1-CD1 4.42Å; S435-L438 WeakPolarHBondContact O-CB 3.36Å; S435-L438 PolarHBondContact O-N 2.81Å; S436-L438 PolarHBondContact O-N 3.03Å; L438-K442 HydrophobicContact CD2-CD 4.1Å; L438-R443 HydrophobicContact CB-CG 3.64Å; L438-R443 HydrophobicContact CD1-CG 4.43Å; L438-I446 HydrophobicContact CD1-CD1 3.81Å
439	H	82.1	Confident	87	Confident	119 Å²	119	66 Å²	66	55%	0.551	32%	0.316	S	S	*	.			trans	-53.8	137.5	170.6	-166.1	-96.2	0	0	0	110.6	D441 K442 R443	H439-D441 VanDerWaalsContact C-N 3.28Å; H439-D441 IonicContact CE1-OD2 3.84Å; H439-D441 PolarHBondContact CE1-OD2 3.37Å; H439-D441 PolarHBondContact ND1-N 3.39Å; H439-D441 IonicContact ND1-OD2 2.7Å; H439-D441 PolarHBondContact ND1-OD2 3.26Å; H439-D441 PolarHBondContact O-N 2.88Å; H439-K442 HydrophobicContact CB-CB 4.48Å; H439-K442 WeakPolarHBondContact O-CA 3.36Å; H439-K442 WeakPolarHBondContact O-CB 3.4Å; H439-K442 PolarHBondContact O-N 2.69Å; H439-R443 PolarHBondContact O-N 3.21Å
440	P	75.7	Confident	86.9	Confident	40 Å²	40	65.5 Å²	65.5	26%	0.26	31%	0.313	S	S	.	.	H	α-helix	trans	-46.2	-45.6	-180	-28.4	29.9	0	0	0	114.2	K442 R443 Q444	P440-K442 VanDerWaalsContact C-N 3.33Å; P440-K442 PolarHBondContact O-N 3.37Å; P440-R443 WeakPolarHBondContact O-CB 3.41Å; P440-R443 PolarHBondContact O-N 3.27Å; P440-Q444 PolarHBondContact O-N 3.4Å
441	D	81.3	Confident	86.6	Confident	94 Å²	94	61.4 Å²	61.4	50%	0.503	30%	0.301	S	S	.	.	H	α-helix	trans	-64.1	-38.7	179.4	-56.2	-29.3	0	0	0	112.5	H439 R443 Q444 R445	H439-D441 VanDerWaalsContact C-N 3.28Å; H439-D441 IonicContact CE1-OD2 3.84Å; H439-D441 PolarHBondContact CE1-OD2 3.37Å; H439-D441 PolarHBondContact ND1-N 3.39Å; H439-D441 IonicContact ND1-OD2 2.7Å; H439-D441 PolarHBondContact ND1-OD2 3.26Å; H439-D441 PolarHBondContact O-N 2.88Å; D441-R443 VanDerWaalsContact C-N 3.33Å; D441-Q444 PolarHBondContact O-N 3.42Å; D441-R445 VanDerWaalsContact O-CG 3.31Å; D441-R445 WeakPolarHBondContact O-CG 3.49Å; D441-R445 PolarHBondContact O-N 3.24Å
442	K	86.6	Confident	86.3	Confident	114 Å²	114	66 Å²	66	50%	0.496	33%	0.329	S	S	.	.	H	α-helix	trans	-67.8	-37.8	177.6	-173.9	170.8	177.4	179.1	0	110.7	L438 H439 P440 R445 I446	L438-K442 HydrophobicContact CD2-CD 4.1Å; H439-K442 HydrophobicContact CB-CB 4.48Å; H439-K442 WeakPolarHBondContact O-CA 3.36Å; H439-K442 WeakPolarHBondContact O-CB 3.4Å; H439-K442 PolarHBondContact O-N 2.69Å; P440-K442 VanDerWaalsContact C-N 3.33Å; P440-K442 PolarHBondContact O-N 3.37Å; K442-R445 PolarHBondContact O-N 3.02Å; K442-I446 WeakPolarHBondContact O-CG1 3.3Å; K442-I446 PolarHBondContact O-N 2.95Å; K442-I446 VanDerWaalsContact O-N 3.09Å
443	R	85.7	Confident	85.9	Confident	14 Å²	14	62.6 Å²	62.6	5%	0.053	32%	0.323	C	S	.	.	H	α-helix	trans	-61.2	-48.9	171.9	-67	177.9	38.5	146.2	9	111.1	D144 L434 L438 H439 P440 D441 R445 I446 L447 M464	D144-R443 IonicContact OD1-CZ 2.83Å; D144-R443 VanDerWaalsContact OD1-CZ 3.23Å; D144-R443 IonicContact OD1-NE 3.95Å; D144-R443 IonicContact OD1-NH1 2.76Å; D144-R443 IonicContact OD1-NH2 2.73Å; D144-R443 PolarHBondContact OD1-NH2 2.92Å; D144-R443 IonicContact OD2-CZ 3.1Å; D144-R443 IonicContact OD2-NH1 3.84Å; D144-R443 PolarHBondContact OD2-NH1 3.18Å; D144-R443 VanDerWaalsContact OD2-NH1 3.08Å; D144-R443 IonicContact OD2-NH2 2.68Å; D144-R443 PolarHBondContact OD2-NH2 3.09Å; L434-R443 HydrophobicContact CD1-CB 3.87Å; L434-R443 HydrophobicContact CD1-CG 3.79Å; L438-R443 HydrophobicContact CB-CG 3.64Å; L438-R443 HydrophobicContact CD1-CG 4.43Å; H439-R443 PolarHBondContact O-N 3.21Å; P440-R443 WeakPolarHBondContact O-CB 3.41Å; P440-R443 PolarHBondContact O-N 3.27Å; D441-R443 VanDerWaalsContact C-N 3.33Å; R443-R445 VanDerWaalsContact C-N 3.28Å; R443-R445 PolarHBondContact O-N 3.47Å; R443-I446 PolarHBondContact O-N 3.19Å; R443-I446 VanDerWaalsContact O-N 3.07Å; R443-L447 WeakPolarHBondContact O-CG 3.37Å; R443-L447 PolarHBondContact O-N 3.36Å; R443-M464 PolarHBondContact NH1-SD 3.28Å; R443-M464 VanDerWaalsContact NH1-SD 3.36Å
444	Q	83.2	Confident	85.7	Confident	97 Å²	97	66.6 Å²	66.6	45%	0.453	34%	0.342	S	S	.	.	H	α-helix	trans	-59.1	-40.4	178.6	-169.7	61.3	42.1	0	0	111.8	P440 D441 L447 N448	P440-Q444 PolarHBondContact O-N 3.4Å; D441-Q444 PolarHBondContact O-N 3.42Å; Q444-L447 PolarHBondContact O-N 3.36Å; Q444-N448 PolarHBondContact NE2-OD1 3.08Å; Q444-N448 WeakPolarHBondContact O-CB 3.41Å; Q444-N448 PolarHBondContact O-N 3.48Å; Q444-N448 PolarHBondContact O-OD1 2.99Å
445	R	88.8	Confident	85.8	Confident	173 Å²	173	66.8 Å²	66.8	65%	0.653	34%	0.343	S	S	*	.	H	α-helix	trans	-59.3	-46.4	173.2	-71.2	173.4	-168.9	165	4.8	112.1	D441 K442 R443 L447 N448 L449	D441-R445 VanDerWaalsContact O-CG 3.31Å; D441-R445 WeakPolarHBondContact O-CG 3.49Å; D441-R445 PolarHBondContact O-N 3.24Å; K442-R445 PolarHBondContact O-N 3.02Å; R443-R445 VanDerWaalsContact C-N 3.28Å; R443-R445 PolarHBondContact O-N 3.47Å; R445-L447 VanDerWaalsContact C-N 3.33Å; R445-L447 PolarHBondContact O-N 3.01Å; R445-N448 PolarHBondContact O-N 2.91Å; R445-L449 VanDerWaalsContact O-CG 3.31Å; R445-L449 WeakPolarHBondContact O-CG 3.23Å; R445-L449 PolarHBondContact O-N 2.91Å
446	I	90.3	Very high	86.2	Confident	18 Å²	18	68.6 Å²	68.6	9%	0.092	35%	0.351	C	S	.	.	H	α-helix	trans	-61.9	-42.3	177.1	-67.4	167.3	0	0	0	111	K432 L434 L438 K442 R443 L449 F450 L458	K432-I446 HydrophobicContact CB-CG2 3.93Å; L434-I446 HydrophobicContact CD1-CG2 4.45Å; L438-I446 HydrophobicContact CD1-CD1 3.81Å; K442-I446 WeakPolarHBondContact O-CG1 3.3Å; K442-I446 PolarHBondContact O-N 2.95Å; K442-I446 VanDerWaalsContact O-N 3.09Å; R443-I446 PolarHBondContact O-N 3.19Å; R443-I446 VanDerWaalsContact O-N 3.07Å; I446-L449 PolarHBondContact O-N 3.39Å; I446-F450 PolarHBondContact O-N 3.08Å; I446-L458 HydrophobicContact CG2-CD1 3.61Å
447	L	88.6	Confident	87.1	Confident	16 Å²	16	65.7 Å²	65.7	8%	0.084	33%	0.33	C	S	.	.	H	α-helix	trans	-63.8	-40.2	177.6	-67.4	174.7	0	0	0	112.1	L434 R443 Q444 R445 F450 S451 L458 I468 I470	L434-L447 HydrophobicContact CD2-CD2 4.12Å; R443-L447 WeakPolarHBondContact O-CG 3.37Å; R443-L447 PolarHBondContact O-N 3.36Å; Q444-L447 PolarHBondContact O-N 3.36Å; R445-L447 VanDerWaalsContact C-N 3.33Å; R445-L447 PolarHBondContact O-N 3.01Å; L447-F450 PolarHBondContact O-N 2.86Å; L447-S451 PolarHBondContact O-N 3.4Å; L447-S451 PolarHBondContact O-OG 2.93Å; L447-L458 HydrophobicContact CD2-CD2 3.89Å; L447-I468 HydrophobicContact CD1-CD1 4.34Å; L447-I468 HydrophobicContact CD1-CG2 3.71Å; L447-I468 HydrophobicContact CD2-CD1 4.13Å; L447-I468 HydrophobicContact CD2-CG2 3.59Å; L447-I468 HydrophobicContact CG-CG2 4.27Å; L447-I470 HydrophobicContact CD2-CD1 3.88Å; L447-I470 HydrophobicContact CD2-CG1 4.1Å
448	N	88.4	Confident	87.9	Confident	79 Å²	79	58 Å²	58	42%	0.422	30%	0.295	S	S	.	.	H	α-helix	trans	-65.7	-40.8	174.7	-68.1	-5.1	0	0	0	111.8	Q444 R445 F450 S451 V452	Q444-N448 PolarHBondContact NE2-OD1 3.08Å; Q444-N448 WeakPolarHBondContact O-CB 3.41Å; Q444-N448 PolarHBondContact O-N 3.48Å; Q444-N448 PolarHBondContact O-OD1 2.99Å; R445-N448 PolarHBondContact O-N 2.91Å; N448-F450 PolarHBondContact O-N 3.32Å; N448-S451 WeakPolarHBondContact CA-OG 3.37Å; N448-S451 PolarHBondContact O-N 2.87Å; N448-S451 PolarHBondContact O-OG 2.82Å; N448-V452 WeakPolarHBondContact O-CB 3.37Å; N448-V452 VanDerWaalsContact O-CG2 3.29Å; N448-V452 WeakPolarHBondContact O-CG2 3.42Å; N448-V452 PolarHBondContact O-N 2.78Å
449	L	91.2	Very high	88.5	Confident	62 Å²	62	56.1 Å²	56.1	33%	0.325	29%	0.285	S	S	.	.	H	α-helix	trans	-61.3	-35.5	174.6	-69.3	172.4	0	0	0	111.8	R445 I446 G453 Q454 C455	R445-L449 VanDerWaalsContact O-CG 3.31Å; R445-L449 WeakPolarHBondContact O-CG 3.23Å; R445-L449 PolarHBondContact O-N 2.91Å; I446-L449 PolarHBondContact O-N 3.39Å; L449-G453 PolarHBondContact O-N 3.48Å; L449-Q454 HydrophobicContact CD2-CB 4.28Å; L449-Q454 WeakPolarHBondContact O-CA 3.49Å; L449-Q454 WeakPolarHBondContact O-CB 3.46Å; L449-Q454 PolarHBondContact O-N 2.96Å; L449-C455 HydrophobicContact CB-CB 4.5Å; L449-C455 PolarHBondContact O-N 3.5Å
450	F	91.7	Very high	89.1	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-75	-42.8	176.9	-174.9	-107.3	0	0	0	112.4	R405 I406 L407 I446 L447 N448 V452 G453 C455 L458 I470 V473	R405-F450 VanDerWaalsContact C-CE2 3.48Å; R405-F450 VanDerWaalsContact CA-CE2 3.45Å; R405-F450 VanDerWaalsContact CA-CZ 3.49Å; R405-F450 HydrophobicContact CB-CE1 4.18Å; R405-F450 HydrophobicContact CB-CE2 4.14Å; R405-F450 HydrophobicContact CB-CZ 3.86Å; R405-F450 WeakPolarHBondContact CD-O 3.17Å; R405-F450 WeakPolarHBondContact CG-O 3.36Å; R405-F450 WeakPolarHBondContact O-CZ 3.42Å; I406-F450 WeakPolarHBondContact O-CE2 3.35Å; L407-F450 HydrophobicContact CB-CZ 4.4Å; I446-F450 PolarHBondContact O-N 3.08Å; L447-F450 PolarHBondContact O-N 2.86Å; N448-F450 PolarHBondContact O-N 3.32Å; F450-V452 PolarHBondContact O-N 2.83Å; F450-G453 PolarHBondContact O-N 3.04Å; F450-C455 HydrophobicContact CB-CB 4.25Å; F450-C455 HydrophobicContact CD2-CB 4.21Å; F450-C455 WeakPolarHBondContact CD2-O 3.48Å; F450-L458 HydrophobicContact CB-CD2 4.47Å; F450-L458 HydrophobicContact CD1-CB 4.33Å; F450-L458 HydrophobicContact CD1-CD2 4.05Å; F450-L458 HydrophobicContact CD2-CB 3.56Å; F450-L458 HydrophobicContact CE1-CB 4.3Å; F450-L458 HydrophobicContact CE1-CD2 4.38Å; F450-L458 HydrophobicContact CE2-CB 3.51Å; F450-L458 HydrophobicContact CG-CB 3.96Å; F450-L458 HydrophobicContact CG-CD2 4.13Å; F450-L458 HydrophobicContact CZ-CB 3.89Å; F450-I470 HydrophobicContact CD1-CD1 3.85Å; F450-I470 HydrophobicContact CD1-CG2 3.49Å; F450-I470 VanDerWaalsContact CD1-CG2 3.49Å; F450-I470 HydrophobicContact CE1-CD1 3.84Å; F450-I470 HydrophobicContact CE1-CG2 3.68Å; F450-V473 HydrophobicContact CE1-CG2 4.28Å
451	S	87.9	Confident	89.9	Confident	47 Å²	47	49.2 Å²	49.2	33%	0.329	25%	0.25	S	S	.	.	H	α-helix	trans	-63.7	-41.5	178	65.8	0	0	0	0	112.3	L447 N448 G453	L447-S451 PolarHBondContact O-N 3.4Å; L447-S451 PolarHBondContact O-OG 2.93Å; N448-S451 WeakPolarHBondContact CA-OG 3.37Å; N448-S451 PolarHBondContact O-N 2.87Å; N448-S451 PolarHBondContact O-OG 2.82Å; S451-G453 PolarHBondContact O-N 3.42Å
452	V	88.1	Confident	90.2	Very high	106 Å²	106	45.5 Å²	45.5	64%	0.642	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-9.7	175.2	179.9	0	0	0	0	112.1	N448 F450 Q454	N448-V452 WeakPolarHBondContact O-CB 3.37Å; N448-V452 VanDerWaalsContact O-CG2 3.29Å; N448-V452 WeakPolarHBondContact O-CG2 3.42Å; N448-V452 PolarHBondContact O-N 2.78Å; F450-V452 PolarHBondContact O-N 2.83Å; V452-Q454 HydrophobicContact CG1-CG 4.22Å
453	G	86.8	Confident	89.7	Confident	32 Å²	32	42.8 Å²	42.8	33%	0.33	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	10.2	177.8	0	0	0	0	0	114.9	L449 F450 S451 C455	L449-G453 PolarHBondContact O-N 3.48Å; F450-G453 PolarHBondContact O-N 3.04Å; S451-G453 PolarHBondContact O-N 3.42Å; G453-C455 VanDerWaalsContact C-N 3.26Å
454	Q	89.5	Confident	89.3	Confident	115 Å²	115	42.7 Å²	42.7	54%	0.537	23%	0.226	S	C	.	.	S	Bend	trans	-71.4	-23.9	172.3	-64.6	-172.9	-0.8	0	0	112.3	K430 L449 V452	K430-Q454 WeakPolarHBondContact CD-O 3.45Å; L449-Q454 HydrophobicContact CD2-CB 4.28Å; L449-Q454 WeakPolarHBondContact O-CA 3.49Å; L449-Q454 WeakPolarHBondContact O-CB 3.46Å; L449-Q454 PolarHBondContact O-N 2.96Å; V452-Q454 HydrophobicContact CG1-CG 4.22Å
455	C	90.9	Very high	88.8	Confident	4 Å²	4	38.2 Å²	38.2	3%	0.027	21%	0.205	C	C	.	.			trans	-106	123.3	167.5	180	0	0	0	0	109.6	K430 K432 L449 F450 G453 I457	K430-C455 PolarHBondContact O-SG 2.83Å; K432-C455 HydrophobicContact CG-CB 4.41Å; L449-C455 HydrophobicContact CB-CB 4.5Å; L449-C455 PolarHBondContact O-N 3.5Å; F450-C455 HydrophobicContact CB-CB 4.25Å; F450-C455 HydrophobicContact CD2-CB 4.21Å; F450-C455 WeakPolarHBondContact CD2-O 3.48Å; G453-C455 VanDerWaalsContact C-N 3.26Å; C455-I457 PolarHBondContact SG-O 2.83Å
456	Q	94.5	Very high	88	Confident	48 Å²	48	31.8 Å²	31.8	22%	0.224	18%	0.181	C	C	.	.	S	Bend	trans	-82.8	-37.6	-179.4	-68.5	167.3	-51	0	0	111.9	R405 I406 G428 K430	R405-Q456 PolarHBondContact N-O 3.01Å; I406-Q456 PolarHBondContact N-O 2.78Å; G428-Q456 PolarHBondContact O-OE1 3.47Å; K430-Q456 PolarHBondContact O-N 2.87Å
457	I	96.5	Very high	86.7	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	117.3	-176.9	-53.2	172.6	0	0	0	110.1	L394 V398 I406 C408 L423 I429 K430 S431 K432 C455 V459	L394-I457 HydrophobicContact CB-CD1 4.16Å; V398-I457 HydrophobicContact CG2-CD1 3.81Å; V398-I457 HydrophobicContact CG2-CG1 3.94Å; I406-I457 HydrophobicContact CB-CG1 4.24Å; I406-I457 HydrophobicContact CD1-CG1 4.25Å; I406-I457 CarbonylContact O-C 3.54Å; I406-I457 WeakPolarHBondContact O-CA 3.33Å; C408-I457 HydrophobicContact CB-CG2 4.03Å; L423-I457 HydrophobicContact CD1-CD1 4.19Å; L423-I457 HydrophobicContact CD1-CG2 4.12Å; L423-I457 HydrophobicContact CD2-CD1 4.14Å; I429-I457 HydrophobicContact CG2-CD1 3.84Å; K430-I457 PolarHBondContact O-N 2.91Å; S431-I457 CarbonylContact C-O 3.58Å; S431-I457 VanDerWaalsContact CA-O 3.24Å; S431-I457 WeakPolarHBondContact CA-O 3.48Å; S431-I457 PolarHBondContact OG-O 2.85Å; K432-I457 PolarHBondContact N-O 2.86Å; C455-I457 PolarHBondContact SG-O 2.83Å; I457-V459 HydrophobicContact CG2-CG2 4.03Å
458	L	95.4	Very high	85.8	Confident	1 Å²	1	31 Å²	31	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	112.2	170.4	-175.9	64	0	0	0	109.5	I406 L407 C408 K432 L434 I446 L447 F450 I470	I406-L458 PolarHBondContact O-N 2.87Å; L407-L458 HydrophobicContact CD1-CB 4.2Å; L407-L458 HydrophobicContact CD1-CD2 3.97Å; L407-L458 HydrophobicContact CD1-CG 4.18Å; C408-L458 PolarHBondContact N-O 3.04Å; K432-L458 HydrophobicContact CB-CD1 4.3Å; K432-L458 WeakPolarHBondContact O-CA 3.4Å; L434-L458 HydrophobicContact CB-CD1 4.15Å; I446-L458 HydrophobicContact CG2-CD1 3.61Å; L447-L458 HydrophobicContact CD2-CD2 3.89Å; F450-L458 HydrophobicContact CB-CD2 4.47Å; F450-L458 HydrophobicContact CD1-CB 4.33Å; F450-L458 HydrophobicContact CD1-CD2 4.05Å; F450-L458 HydrophobicContact CD2-CB 3.56Å; F450-L458 HydrophobicContact CE1-CB 4.3Å; F450-L458 HydrophobicContact CE1-CD2 4.38Å; F450-L458 HydrophobicContact CE2-CB 3.51Å; F450-L458 HydrophobicContact CG-CB 3.96Å; F450-L458 HydrophobicContact CG-CD2 4.13Å; F450-L458 HydrophobicContact CZ-CB 3.89Å; L458-I470 HydrophobicContact CD2-CD1 3.66Å
459	V	96.1	Very high	84.7	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	132	176.7	-168.8	0	0	0	0	109.5	C408 A416 L419 N420 L423 K432 F433 L434 I457	C408-V459 HydrophobicContact CB-CG2 4.25Å; C408-V459 CarbonylContact O-C 3.53Å; C408-V459 WeakPolarHBondContact O-CA 3.33Å; A416-V459 HydrophobicContact CB-CG1 3.83Å; L419-V459 HydrophobicContact CB-CG1 4.46Å; L419-V459 HydrophobicContact CD2-CG1 3.9Å; L419-V459 HydrophobicContact CD2-CG2 4.37Å; L419-V459 HydrophobicContact CG-CG1 4.38Å; L419-V459 HydrophobicContact CG-CG2 4.39Å; N420-V459 HydrophobicContact CB-CG2 4.34Å; L423-V459 HydrophobicContact CD1-CG2 3.97Å; K432-V459 PolarHBondContact O-N 3.44Å; F433-V459 WeakPolarHBondContact CA-O 3.33Å; F433-V459 WeakPolarHBondContact CD2-O 3.35Å; L434-V459 PolarHBondContact N-O 2.61Å; I457-V459 HydrophobicContact CG2-CG2 4.03Å
460	C	93.8	Very high	83.7	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.007	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	168.7	-179.4	64.1	0	0	0	0	112.2	C408 F409 A410 L434 M464	C408-C460 PolarHBondContact O-N 2.9Å; F409-C460 WeakPolarHBondContact CA-O 3.39Å; A410-C460 PolarHBondContact N-O 3.48Å; L434-C460 HydrophobicContact CB-CB 4.19Å; C460-M464 HydrophobicContact CB-CB 4.12Å
461	T	92.7	Very high	82.6	Confident	12 Å²	12	32.6 Å²	32.6	7%	0.074	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	165	169.9	63.5	0	0	0	0	111.5	A410 V413 A416 S463 M464 A465	A410-T461 WeakPolarHBondContact O-CA 3.32Å; V413-T461 HydrophobicContact CG2-CG2 4Å; A416-T461 HydrophobicContact CB-CG2 4.5Å; T461-S463 VanDerWaalsContact C-N 3.26Å; T461-S463 PolarHBondContact O-N 2.85Å; T461-M464 WeakPolarHBondContact O-CA 3.41Å; T461-M464 PolarHBondContact O-N 3.37Å; T461-A465 PolarHBondContact O-N 2.62Å
462	D	87.3	Confident	82.2	Confident	17 Å²	17	33.6 Å²	33.6	9%	0.091	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-41.7	176	-70.4	-68.8	0	0	0	112.9	M464 R466 I487 R491	D462-M464 PolarHBondContact O-N 3.29Å; D462-R466 WeakPolarHBondContact O-CD 3.37Å; D462-R466 WeakPolarHBondContact O-CG 3.29Å; D462-R466 PolarHBondContact O-NE 3.01Å; D462-R466 VanDerWaalsContact O-NE 3.07Å; D462-I487 HydrophobicContact CB-CG2 4.38Å; D462-I487 VanDerWaalsContact CG-CG2 3.43Å; D462-I487 WeakPolarHBondContact OD1-CG2 3.35Å; D462-R491 VanDerWaalsContact OD1-CG 3.24Å; D462-R491 WeakPolarHBondContact OD1-CG 3.34Å; D462-R491 IonicContact OD1-CZ 3.4Å; D462-R491 IonicContact OD1-NE 2.72Å; D462-R491 PolarHBondContact OD1-NE 3.42Å; D462-R491 IonicContact OD1-NH2 2.71Å; D462-R491 IonicContact OD2-CZ 3.24Å; D462-R491 IonicContact OD2-NE 3.08Å; D462-R491 PolarHBondContact OD2-NE 3.42Å; D462-R491 IonicContact OD2-NH2 3.18Å; D462-R491 PolarHBondContact OD2-NH2 3.3Å
463	S	76.4	Confident	82.2	Confident	56 Å²	56	29 Å²	29	39%	0.392	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-31.1	176.4	176.7	0	0	0	0	112.2	T461	T461-S463 VanDerWaalsContact C-N 3.26Å; T461-S463 PolarHBondContact O-N 2.85Å
464	M	77.8	Confident	82.5	Confident	13 Å²	13	30 Å²	30	6%	0.064	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-40.7	-178.4	-75.7	-65.1	87.8	0	0	114	S436 R443 C460 T461 D462 R466 I468	S436-M464 WeakPolarHBondContact CA-SD 3.12Å; S436-M464 PolarHBondContact N-SD 3.42Å; R443-M464 PolarHBondContact NH1-SD 3.28Å; R443-M464 VanDerWaalsContact NH1-SD 3.36Å; C460-M464 HydrophobicContact CB-CB 4.12Å; T461-M464 WeakPolarHBondContact O-CA 3.41Å; T461-M464 PolarHBondContact O-N 3.37Å; D462-M464 PolarHBondContact O-N 3.29Å; M464-R466 PolarHBondContact O-N 3.27Å; M464-I468 WeakPolarHBondContact O-CD1 3.23Å; M464-I468 VanDerWaalsContact O-CG1 3.25Å; M464-I468 WeakPolarHBondContact O-CG1 3.34Å
465	A	72	Confident	82.8	Confident	2 Å²	2	24.5 Å²	24.5	2%	0.017	13%	0.131	C	C	.	.	S	Bend	trans	-73.3	-5.1	178.3	0	0	0	0	0	114.3	L407 F409 T461 R494	L407-A465 HydrophobicContact CD2-CB 4.47Å; F409-A465 HydrophobicContact CD1-CB 4.45Å; F409-A465 HydrophobicContact CE1-CB 3.24Å; F409-A465 HydrophobicContact CZ-CB 3.33Å; T461-A465 PolarHBondContact O-N 2.62Å; A465-R494 PolarHBondContact O-NH1 3.22Å
466	R	72.8	Confident	83	Confident	39 Å²	39	24.3 Å²	24.3	15%	0.147	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	138.9	178.8	-44.5	-172.1	167.3	161	-0.4	109.2	V142 E231 D462 M464 I468	V142-R466 HydrophobicContact CG1-CB 4.24Å; V142-R466 HydrophobicContact CG2-CB 4.01Å; E231-R466 IonicContact OE1-CZ 3.12Å; E231-R466 IonicContact OE1-NH1 3.23Å; E231-R466 PolarHBondContact OE1-NH1 3.28Å; D462-R466 WeakPolarHBondContact O-CD 3.37Å; D462-R466 WeakPolarHBondContact O-CG 3.29Å; D462-R466 PolarHBondContact O-NE 3.01Å; D462-R466 VanDerWaalsContact O-NE 3.07Å; M464-R466 PolarHBondContact O-N 3.27Å; R466-I468 PolarHBondContact O-N 3.21Å
467	G	63.1	Low	83.2	Confident	5 Å²	5	22 Å²	22	5%	0.052	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	-6.7	-178.4	0	0	0	0	0	116.1	Q148 D469	Q148-G467 PolarHBondContact OE1-O 2.98Å; Q148-G467 VanDerWaalsContact OE1-O 3.13Å; G467-D469 PolarHBondContact O-N 3.47Å
468	I	69.9	Low	83.2	Confident	11 Å²	11	22.1 Å²	22.1	6%	0.056	12%	0.12	C	C	.	.			trans	-77.9	112.8	175	-50.3	-170.2	0	0	0	108.1	L434 L447 M464 R466 I470	L434-I468 HydrophobicContact CD2-CD1 3.2Å; L447-I468 HydrophobicContact CD1-CD1 4.34Å; L447-I468 HydrophobicContact CD1-CG2 3.71Å; L447-I468 HydrophobicContact CD2-CD1 4.13Å; L447-I468 HydrophobicContact CD2-CG2 3.59Å; L447-I468 HydrophobicContact CG-CG2 4.27Å; M464-I468 WeakPolarHBondContact O-CD1 3.23Å; M464-I468 VanDerWaalsContact O-CG1 3.25Å; M464-I468 WeakPolarHBondContact O-CG1 3.34Å; R466-I468 PolarHBondContact O-N 3.21Å; I468-I470 VanDerWaalsContact C-N 3.33Å; I468-I470 HydrophobicContact CB-CG1 4.22Å; I468-I470 HydrophobicContact CG2-CD1 3.9Å; I468-I470 HydrophobicContact CG2-CG1 3.24Å; I468-I470 PolarHBondContact O-N 2.73Å
469	D	64.6	Low	83.3	Confident	73 Å²	73	23.4 Å²	23.4	39%	0.39	13%	0.125	S	C	.	.			trans	-86.3	79.9	165.8	-156.6	17.4	0	0	0	110.1	Q148 G467 N471 R497	Q148-D469 VanDerWaalsContact CD-CB 3.49Å; Q148-D469 HydrophobicContact CG-CB 4.07Å; Q148-D469 PolarHBondContact NE2-OD2 3.36Å; G467-D469 PolarHBondContact O-N 3.47Å; D469-N471 PolarHBondContact O-N 3.15Å; D469-R497 IonicContact OD1-CZ 3.37Å; D469-R497 IonicContact OD1-NH1 2.7Å; D469-R497 PolarHBondContact OD1-NH1 2.97Å
470	I	70.8	Confident	83.3	Confident	10 Å²	10	24.6 Å²	24.6	5%	0.051	13%	0.131	C	C	.	.			trans	-83.5	102.7	166.6	-44.5	-177.2	0	0	0	106.7	L407 L447 F450 L458 I468 V473	L407-I470 HydrophobicContact CD1-CD1 4.13Å; L447-I470 HydrophobicContact CD2-CD1 3.88Å; L447-I470 HydrophobicContact CD2-CG1 4.1Å; F450-I470 HydrophobicContact CD1-CD1 3.85Å; F450-I470 HydrophobicContact CD1-CG2 3.49Å; F450-I470 VanDerWaalsContact CD1-CG2 3.49Å; F450-I470 HydrophobicContact CE1-CD1 3.84Å; F450-I470 HydrophobicContact CE1-CG2 3.68Å; L458-I470 HydrophobicContact CD2-CD1 3.66Å; I468-I470 VanDerWaalsContact C-N 3.33Å; I468-I470 HydrophobicContact CB-CG1 4.22Å; I468-I470 HydrophobicContact CG2-CD1 3.9Å; I468-I470 HydrophobicContact CG2-CG1 3.24Å; I468-I470 PolarHBondContact O-N 2.73Å; I470-V473 HydrophobicContact CB-CG2 3.69Å; I470-V473 HydrophobicContact CG2-CG2 3.87Å
471	N	68.6	Low	83.3	Confident	93 Å²	93	26 Å²	26	50%	0.497	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	140.9	165.8	-70.4	-23.8	0	0	0	109.2	D469 V473	D469-N471 PolarHBondContact O-N 3.15Å; N471-V473 PolarHBondContact O-N 3.28Å
472	D	77.6	Confident	83.3	Confident	68 Å²	68	25.8 Å²	25.8	36%	0.364	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	23.8	169.4	-51.9	-54.8	0	0	0	117.3	R405 E474 K500	R405-D472 PolarHBondContact NE-O 3.16Å; R405-D472 PolarHBondContact NH2-O 2.89Å; D472-E474 PolarHBondContact O-N 3.39Å; D472-K500 IonicContact OD1-NZ 3.27Å; D472-K500 PolarHBondContact OD1-NZ 2.84Å; D472-K500 IonicContact OD2-NZ 3.75Å
473	V	89.8	Confident	83.5	Confident	9 Å²	9	29.3 Å²	29.3	6%	0.055	16%	0.162	C	C	.	.			trans	-57.4	108.2	166.1	-176.6	0	0	0	0	108.8	L407 F450 I470 N471 C475 V476 R494 T495	L407-V473 HydrophobicContact CB-CG1 3.72Å; F450-V473 HydrophobicContact CE1-CG2 4.28Å; I470-V473 HydrophobicContact CB-CG2 3.69Å; I470-V473 HydrophobicContact CG2-CG2 3.87Å; N471-V473 PolarHBondContact O-N 3.28Å; V473-C475 WeakPolarHBondContact CG1-O 3.49Å; V473-V476 HydrophobicContact CG1-CG2 3.85Å; V473-R494 WeakPolarHBondContact CB-O 3.3Å; V473-T495 VanDerWaalsContact O-CB 3.29Å; V473-T495 WeakPolarHBondContact O-CB 3.33Å; V473-T495 PolarHBondContact O-OG1 3.04Å
474	E	92.4	Very high	84	Confident	53 Å²	53	29 Å²	29	25%	0.248	16%	0.16	C	C	.	.			trans	-77.2	-36.6	-179.7	-165.9	-157.7	142.4	0	0	110.4	K403 K404 D472 T495 T503	K403-E474 WeakPolarHBondContact CD-OE1 3.25Å; K403-E474 IonicContact NZ-OE1 2.97Å; K403-E474 PolarHBondContact NZ-OE1 3.4Å; K404-E474 PolarHBondContact N-OE2 3.43Å; K404-E474 WeakPolarHBondContact O-CB 3.35Å; D472-E474 PolarHBondContact O-N 3.39Å; E474-T495 PolarHBondContact O-OG1 3.34Å; E474-T503 PolarHBondContact O-N 3.09Å
475	C	95.4	Very high	84.5	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	131.4	-172.2	-176.1	0	0	0	0	111.6	K403 I406 L407 V473 T503 Y505	K403-C475 HydrophobicContact CD-CB 4.46Å; I406-C475 CarbonylContact C-O 3.35Å; I406-C475 WeakPolarHBondContact CA-O 3.32Å; I406-C475 HydrophobicContact CG1-CB 4.22Å; L407-C475 PolarHBondContact N-O 3.43Å; V473-C475 WeakPolarHBondContact CG1-O 3.49Å; C475-T503 CarbonylContact C-O 3.5Å; C475-T503 VanDerWaalsContact CA-O 3.23Å; C475-T503 WeakPolarHBondContact CA-O 2.96Å; C475-Y505 VanDerWaalsContact SG-CD2 3.54Å
476	V	95.8	Very high	85	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	135.1	168.6	171.2	0	0	0	0	109	L407 F409 V473 R491 R494 T495 T503 A504 Y505	L407-V476 HydrophobicContact CB-CG2 4.38Å; L407-V476 CarbonylContact O-C 3.53Å; L407-V476 WeakPolarHBondContact O-CA 3.37Å; F409-V476 HydrophobicContact CD2-CG1 3.82Å; F409-V476 HydrophobicContact CE2-CG1 3.8Å; V473-V476 HydrophobicContact CG1-CG2 3.85Å; V476-R491 HydrophobicContact CG1-CB 4.46Å; V476-R491 WeakPolarHBondContact CG1-O 3.35Å; V476-R494 HydrophobicContact CG2-CB 3.87Å; V476-T495 HydrophobicContact CB-CG2 4.11Å; V476-T495 HydrophobicContact CG2-CG2 3.63Å; V476-T503 PolarHBondContact N-O 2.94Å; V476-A504 CarbonylContact O-C 3.58Å; V476-A504 WeakPolarHBondContact O-CA 3.36Å; V476-Y505 PolarHBondContact O-N 3.46Å
477	V	97.8	Very high	85.7	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120.6	173.7	-177.7	0	0	0	0	109.2	L394 L397 I406 L407 C408 F409 Y479 Y505 L507	L394-V477 HydrophobicContact CD2-CB 3.98Å; L394-V477 HydrophobicContact CD2-CG1 3.81Å; L394-V477 HydrophobicContact CD2-CG2 3.93Å; L397-V477 HydrophobicContact CD1-CG2 3.56Å; I406-V477 HydrophobicContact CG2-CB 4.41Å; I406-V477 HydrophobicContact CG2-CG2 3.64Å; L407-V477 PolarHBondContact O-N 2.93Å; C408-V477 CarbonylContact C-O 3.59Å; C408-V477 WeakPolarHBondContact CA-O 3.44Å; F409-V477 PolarHBondContact N-O 2.95Å; V477-Y479 PolarHBondContact O-N 3.46Å; V477-Y505 CarbonylContact C-O 3.59Å; V477-Y505 WeakPolarHBondContact CA-O 3.37Å; V477-Y505 HydrophobicContact CG2-CD2 4.36Å; V477-L507 HydrophobicContact CG1-CD1 4.21Å; V477-L507 HydrophobicContact CG1-CG 4.11Å
478	S	97.4	Very high	87	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.007	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	100.4	163.6	-68.9	0	0	0	0	108.4	R491 Y505 N506 L507	S478-R491 VanDerWaalsContact CB-NH1 3.33Å; S478-R491 WeakPolarHBondContact OG-CD 3.31Å; S478-R491 PolarHBondContact OG-NH1 3.37Å; S478-Y505 PolarHBondContact N-O 3.33Å; S478-N506 WeakPolarHBondContact CB-OD1 3.31Å; S478-L507 WeakPolarHBondContact O-CB 3.44Å; S478-L507 WeakPolarHBondContact O-CG 3.41Å; S478-L507 PolarHBondContact O-N 3.32Å
479	Y	97.5	Very high	87.8	Confident	28 Å²	28	30.4 Å²	30.4	11%	0.11	17%	0.166	C	C	.	.	S	Bend	trans	-70.9	-42.1	178.7	178.6	-92.3	0	0	0	111.4	R390 V391 L394 F409 L419 V477 L507	R390-Y479 HydrophobicContact CB-CD2 3.97Å; R390-Y479 HydrophobicContact CB-CE2 3.34Å; R390-Y479 WeakPolarHBondContact CD-O 3.31Å; R390-Y479 HydrophobicContact CG-CE2 4.46Å; R390-Y479 PolarHBondContact NH1-O 2.83Å; V391-Y479 HydrophobicContact CG2-CE2 4.09Å; L394-Y479 HydrophobicContact CD1-CD2 4.27Å; F409-Y479 WeakPolarHBondContact O-CB 3.4Å; F409-Y479 PolarHBondContact O-N 3.02Å; L419-Y479 HydrophobicContact CD1-CD2 4.18Å; L419-Y479 HydrophobicContact CD1-CE2 3.71Å; L419-Y479 HydrophobicContact CD2-CD1 3.98Å; L419-Y479 HydrophobicContact CD2-CD2 3.69Å; L419-Y479 HydrophobicContact CD2-CE1 4.3Å; L419-Y479 HydrophobicContact CD2-CE2 4.01Å; L419-Y479 HydrophobicContact CD2-CG 3.67Å; V477-Y479 PolarHBondContact O-N 3.46Å; Y479-L507 HydrophobicContact CD2-CD1 4.2Å
480	D	95.3	Very high	88.8	Confident	26 Å²	26	27.1 Å²	27.1	14%	0.139	15%	0.149	C	C	.	.	S	Bend	trans	-100.8	150.3	169	-65.6	-39.2	0	0	0	110.7	R390 F409 A410 N411 C415 R491	R390-D480 IonicContact NH1-OD1 3.95Å; F409-D480 PolarHBondContact O-N 3.34Å; A410-D480 WeakPolarHBondContact CA-OD2 3.18Å; N411-D480 HydrophobicContact CB-CB 4.01Å; N411-D480 VanDerWaalsContact CG-CB 3.43Å; N411-D480 PolarHBondContact N-OD2 3.36Å; N411-D480 WeakPolarHBondContact OD1-CB 3.16Å; C415-D480 PolarHBondContact SG-OD2 2.85Å; D480-R491 PolarHBondContact O-NH1 3.43Å
481	V	94	Very high	89.8	Confident	31 Å²	31	26.6 Å²	26.6	19%	0.188	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-62.3	130.8	177.7	81.1	0	0	0	0	109.7	N411 L508 F516	N411-V481 PolarHBondContact ND2-O 2.82Å; N411-V481 PolarHBondContact OD1-O 3.06Å; V481-L508 HydrophobicContact CB-CD2 4.03Å; V481-L508 HydrophobicContact CG2-CD2 3.26Å; V481-F516 HydrophobicContact CG2-CD2 3.81Å; V481-F516 HydrophobicContact CG2-CE2 4.23Å; V481-F516 HydrophobicContact CG2-CG 4.41Å
482	P	93.8	Very high	90.7	Very high	6 Å²	6	22.3 Å²	22.3	4%	0.039	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-58.2	133.5	174.3	-22.9	32.2	0	0	0	110.6	S484 I487 Y488 N506 F516	P482-S484 PolarHBondContact O-N 3.03Å; P482-I487 HydrophobicContact CB-CB 4.4Å; P482-I487 HydrophobicContact CB-CG2 4.18Å; P482-Y488 HydrophobicContact CG-CD2 4.03Å; P482-Y488 HydrophobicContact CG-CG 4.45Å; P482-N506 WeakPolarHBondContact CD-OD1 3.2Å; P482-F516 HydrophobicContact CB-CE2 4.4Å; P482-F516 HydrophobicContact CG-CE2 4.24Å; P482-F516 HydrophobicContact CG-CZ 4.29Å
483	P	90.8	Very high	91.1	Very high	92 Å²	92	19.1 Å²	19.1	60%	0.597	11%	0.107	S	C	*	.	S	Bend	trans	-64	-21.9	179.8	-23.3	32.6	0	0	0	114.5	I487	P483-I487 HydrophobicContact CB-CD1 4.05Å; P483-I487 HydrophobicContact CG-CD1 4Å
484	S	87.9	Confident	91	Very high	48 Å²	48	19.3 Å²	19.3	34%	0.336	11%	0.106	S	C	.	.	S	Bend	trans	-147.9	159.3	176	71	0	0	0	0	111.2	P482 K486 I487 Y488	P482-S484 PolarHBondContact O-N 3.03Å; S484-K486 PolarHBondContact O-N 3.41Å; S484-I487 PolarHBondContact O-N 3.33Å; S484-I487 VanDerWaalsContact O-N 3.14Å; S484-I487 WeakPolarHBondContact OG-CG1 3.19Å; S484-I487 PolarHBondContact OG-N 3.14Å; S484-Y488 PolarHBondContact O-N 2.92Å
485	I	87.6	Confident	90.9	Very high	19 Å²	19	16.9 Å²	16.9	10%	0.097	10%	0.095	C	C	.	.	H	α-helix	trans	-61.7	-34.3	174.9	-59.6	-56.7	0	0	0	111.2	F372 I487 Y488 I489 F516 D519 L520 A523	F372-I485 HydrophobicContact CD2-CB 4.38Å; F372-I485 HydrophobicContact CD2-CG2 3.49Å; F372-I485 VanDerWaalsContact CD2-CG2 3.49Å; F372-I485 HydrophobicContact CE2-CB 3.95Å; F372-I485 HydrophobicContact CE2-CG2 3.56Å; I485-I487 VanDerWaalsContact C-N 3.34Å; I485-I487 PolarHBondContact O-N 3.31Å; I485-Y488 VanDerWaalsContact O-CB 3.31Å; I485-Y488 WeakPolarHBondContact O-CB 3.28Å; I485-Y488 PolarHBondContact O-N 2.8Å; I485-I489 HydrophobicContact CG2-CG1 4.3Å; I485-I489 VanDerWaalsContact O-CG1 3.26Å; I485-I489 WeakPolarHBondContact O-CG1 3.37Å; I485-I489 PolarHBondContact O-N 2.92Å; I485-F516 HydrophobicContact CD1-CD2 4.4Å; I485-F516 HydrophobicContact CD1-CE2 3.92Å; I485-F516 HydrophobicContact CD1-CZ 4.08Å; I485-D519 HydrophobicContact CD1-CB 3.76Å; I485-D519 HydrophobicContact CG1-CB 3.85Å; I485-L520 HydrophobicContact CD1-CD2 3.95Å; I485-L520 HydrophobicContact CD1-CG 3.95Å; I485-L520 HydrophobicContact CG2-CD2 4.45Å; I485-A523 HydrophobicContact CG2-CB 3.82Å
486	K	82.2	Confident	90.5	Very high	43 Å²	43	17.1 Å²	17.1	19%	0.187	10%	0.097	C	C	.	.	H	α-helix	trans	-56.7	-48.7	173.3	-173.8	178.1	-178.3	175.2	0	111.2	D226 F372 S484 Y488 I489 H490	D226-K486 PolarHBondContact O-NZ 3.07Å; D226-K486 VanDerWaalsContact O-NZ 3.14Å; D226-K486 WeakPolarHBondContact OD2-CE 3.39Å; D226-K486 IonicContact OD2-NZ 3.95Å; D226-K486 PolarHBondContact OD2-NZ 3.32Å; F372-K486 HydrophobicContact CE1-CB 4.15Å; F372-K486 HydrophobicContact CE1-CG 4.31Å; F372-K486 HydrophobicContact CZ-CB 4.06Å; S484-K486 PolarHBondContact O-N 3.41Å; K486-Y488 VanDerWaalsContact C-N 3.35Å; K486-Y488 PolarHBondContact O-N 3.47Å; K486-I489 PolarHBondContact O-N 3.29Å; K486-H490 PolarHBondContact O-CD2 3.3Å; K486-H490 PolarHBondContact O-N 3.02Å; K486-H490 VanDerWaalsContact O-N 3.15Å
487	I	87.5	Confident	89.9	Confident	32 Å²	32	19.1 Å²	19.1	16%	0.164	10%	0.104	C	C	.	.	H	α-helix	trans	-62.5	-42.5	176.5	-66.9	171	0	0	0	110.9	D462 P482 P483 S484 I485 I489 H490 R491	D462-I487 HydrophobicContact CB-CG2 4.38Å; D462-I487 VanDerWaalsContact CG-CG2 3.43Å; D462-I487 WeakPolarHBondContact OD1-CG2 3.35Å; P482-I487 HydrophobicContact CB-CB 4.4Å; P482-I487 HydrophobicContact CB-CG2 4.18Å; P483-I487 HydrophobicContact CB-CD1 4.05Å; P483-I487 HydrophobicContact CG-CD1 4Å; S484-I487 PolarHBondContact O-N 3.33Å; S484-I487 VanDerWaalsContact O-N 3.14Å; S484-I487 WeakPolarHBondContact OG-CG1 3.19Å; S484-I487 PolarHBondContact OG-N 3.14Å; I485-I487 VanDerWaalsContact C-N 3.34Å; I485-I487 PolarHBondContact O-N 3.31Å; I487-I489 VanDerWaalsContact C-N 3.34Å; I487-I489 PolarHBondContact O-N 2.88Å; I487-H490 PolarHBondContact O-N 2.96Å; I487-R491 HydrophobicContact CG2-CG 4.39Å; I487-R491 WeakPolarHBondContact O-CG 3.38Å; I487-R491 PolarHBondContact O-N 2.85Å
488	Y	91	Very high	88.9	Confident	3 Å²	3	21.6 Å²	21.6	1%	0.012	13%	0.125	C	C	.	.	H	α-helix	trans	-53.1	-50	175.1	169.9	-106.5	0	0	0	112.3	E380 P482 S484 I485 K486 H490 R491 I492 N506 F516 L520	E380-Y488 PolarHBondContact OE2-OH 3.24Å; P482-Y488 HydrophobicContact CG-CD2 4.03Å; P482-Y488 HydrophobicContact CG-CG 4.45Å; S484-Y488 PolarHBondContact O-N 2.92Å; I485-Y488 VanDerWaalsContact O-CB 3.31Å; I485-Y488 WeakPolarHBondContact O-CB 3.28Å; I485-Y488 PolarHBondContact O-N 2.8Å; K486-Y488 VanDerWaalsContact C-N 3.35Å; K486-Y488 PolarHBondContact O-N 3.47Å; Y488-H490 VanDerWaalsContact C-N 3.31Å; Y488-H490 PolarHBondContact O-N 2.97Å; Y488-R491 WeakPolarHBondContact O-CB 3.47Å; Y488-R491 PolarHBondContact O-N 3.44Å; Y488-R491 VanDerWaalsContact O-N 3.07Å; Y488-I492 HydrophobicContact CD1-CD1 4.25Å; Y488-I492 HydrophobicContact CD2-CG2 4.01Å; Y488-I492 HydrophobicContact CE1-CD1 3.64Å; Y488-I492 HydrophobicContact CE1-CG2 4.41Å; Y488-I492 HydrophobicContact CE2-CG2 3.58Å; Y488-I492 PolarHBondContact O-N 2.88Å; Y488-N506 HydrophobicContact CE2-CB 4.31Å; Y488-F516 HydrophobicContact CD1-CZ 4.3Å; Y488-F516 HydrophobicContact CD2-CE1 4.11Å; Y488-F516 AromaticContact CD2-CZ 3.59Å; Y488-F516 HydrophobicContact CD2-CZ 3.59Å; Y488-F516 HydrophobicContact CE2-CE1 4.16Å; Y488-F516 HydrophobicContact CE2-CZ 4.12Å; Y488-F516 HydrophobicContact CG-CE1 4.39Å; Y488-F516 AromaticContact CG-CZ 3.67Å; Y488-F516 HydrophobicContact CG-CZ 3.67Å; Y488-L520 HydrophobicContact CD1-CD2 3.9Å; Y488-L520 HydrophobicContact CE1-CD2 3.7Å
489	I	86.5	Confident	88	Confident	3 Å²	3	23.7 Å²	23.7	2%	0.015	15%	0.147	C	C	.	.	H	α-helix	trans	-60.2	-42.5	179.9	-63.7	-75.1	0	0	0	110.9	T291 F372 V374 I485 K486 I487 R491 I492 G493	T291-I489 HydrophobicContact CG2-CB 4.23Å; T291-I489 HydrophobicContact CG2-CG2 3.71Å; F372-I489 HydrophobicContact CB-CB 4.34Å; F372-I489 HydrophobicContact CB-CD1 3.54Å; F372-I489 HydrophobicContact CB-CG1 3.46Å; F372-I489 VanDerWaalsContact CB-CG1 3.46Å; F372-I489 HydrophobicContact CB-CG2 4.22Å; F372-I489 HydrophobicContact CD1-CG1 4.43Å; F372-I489 HydrophobicContact CD2-CG1 4.14Å; F372-I489 HydrophobicContact CG-CD1 4.35Å; F372-I489 HydrophobicContact CG-CG1 3.78Å; V374-I489 HydrophobicContact CG2-CD1 3.45Å; V374-I489 VanDerWaalsContact CG2-CD1 3.45Å; I485-I489 HydrophobicContact CG2-CG1 4.3Å; I485-I489 VanDerWaalsContact O-CG1 3.26Å; I485-I489 WeakPolarHBondContact O-CG1 3.37Å; I485-I489 PolarHBondContact O-N 2.92Å; K486-I489 PolarHBondContact O-N 3.29Å; I487-I489 VanDerWaalsContact C-N 3.34Å; I487-I489 PolarHBondContact O-N 2.88Å; I489-R491 VanDerWaalsContact C-N 3.31Å; I489-R491 PolarHBondContact O-N 3Å; I489-I492 HydrophobicContact CD1-CD1 4.26Å; I489-I492 WeakPolarHBondContact O-CG1 3.43Å; I489-G493 PolarHBondContact O-N 3.25Å
490	H	84.3	Confident	87.4	Confident	4 Å²	4	27.4 Å²	27.4	2%	0.019	16%	0.163	C	C	.	.	H	α-helix	trans	-66.9	-28.7	176.7	-67.8	-69.5	0	0	0	114.2	E224 R227 T291 K486 I487 Y488 R494	E224-H490 IonicContact OE2-CE1 3.08Å; R227-H490 PolarHBondContact NE-CE1 3.36Å; R227-H490 PolarHBondContact NE-NE2 3.32Å; R227-H490 VanDerWaalsContact NE-NE2 3.15Å; R227-H490 VanDerWaalsContact NH2-CB 3.27Å; R227-H490 PolarHBondContact NH2-CD2 2.97Å; R227-H490 PolarHBondContact NH2-NE2 3.3Å; T291-H490 PolarHBondContact OG1-CE1 3.35Å; T291-H490 PolarHBondContact OG1-NE2 3.26Å; K486-H490 PolarHBondContact O-CD2 3.3Å; K486-H490 PolarHBondContact O-N 3.02Å; K486-H490 VanDerWaalsContact O-N 3.15Å; I487-H490 PolarHBondContact O-N 2.96Å; Y488-H490 VanDerWaalsContact C-N 3.31Å; Y488-H490 PolarHBondContact O-N 2.97Å; H490-R494 PolarHBondContact O-NE 3.16Å
491	R	91.9	Very high	87.1	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-71.8	-53.8	174.8	-71.3	-176.5	-179.1	-175.2	-1.5	110.7	F409 N411 D462 V476 S478 D480 I487 Y488 I489 G493 R494	F409-R491 HydrophobicContact CB-CG 4.38Å; F409-R491 HydrophobicContact CD1-CG 3.92Å; F409-R491 HydrophobicContact CD2-CB 3.89Å; F409-R491 HydrophobicContact CD2-CG 3.76Å; F409-R491 HydrophobicContact CE1-CG 4.05Å; F409-R491 HydrophobicContact CE2-CB 3.84Å; F409-R491 HydrophobicContact CE2-CG 3.92Å; F409-R491 HydrophobicContact CG-CB 4.4Å; F409-R491 HydrophobicContact CG-CG 3.76Å; F409-R491 HydrophobicContact CZ-CB 4.31Å; F409-R491 HydrophobicContact CZ-CG 4.06Å; N411-R491 PolarHBondContact OD1-NH2 3.12Å; D462-R491 VanDerWaalsContact OD1-CG 3.24Å; D462-R491 WeakPolarHBondContact OD1-CG 3.34Å; D462-R491 IonicContact OD1-CZ 3.4Å; D462-R491 IonicContact OD1-NE 2.72Å; D462-R491 PolarHBondContact OD1-NE 3.42Å; D462-R491 IonicContact OD1-NH2 2.71Å; D462-R491 IonicContact OD2-CZ 3.24Å; D462-R491 IonicContact OD2-NE 3.08Å; D462-R491 PolarHBondContact OD2-NE 3.42Å; D462-R491 IonicContact OD2-NH2 3.18Å; D462-R491 PolarHBondContact OD2-NH2 3.3Å; V476-R491 HydrophobicContact CG1-CB 4.46Å; V476-R491 WeakPolarHBondContact CG1-O 3.35Å; S478-R491 VanDerWaalsContact CB-NH1 3.33Å; S478-R491 WeakPolarHBondContact OG-CD 3.31Å; S478-R491 PolarHBondContact OG-NH1 3.37Å; D480-R491 PolarHBondContact O-NH1 3.43Å; I487-R491 HydrophobicContact CG2-CG 4.39Å; I487-R491 WeakPolarHBondContact O-CG 3.38Å; I487-R491 PolarHBondContact O-N 2.85Å; Y488-R491 WeakPolarHBondContact O-CB 3.47Å; Y488-R491 PolarHBondContact O-N 3.44Å; Y488-R491 VanDerWaalsContact O-N 3.07Å; I489-R491 VanDerWaalsContact C-N 3.31Å; I489-R491 PolarHBondContact O-N 3Å; R491-G493 PolarHBondContact O-N 2.85Å; R491-R494 VanDerWaalsContact O-CB 3.31Å; R491-R494 WeakPolarHBondContact O-CB 3.37Å; R491-R494 WeakPolarHBondContact O-CG 3.36Å; R491-R494 PolarHBondContact O-N 3.47Å; R491-R494 VanDerWaalsContact O-N 3.09Å
492	I	89.3	Confident	87	Confident	3 Å²	3	33.8 Å²	33.8	2%	0.015	19%	0.189	C	C	.	.	H	α-helix	trans	-66	-29.9	-177.5	70.2	177.7	0	0	0	111.7	V374 L378 E380 Y488 I489 R494 T495 A504	V374-I492 HydrophobicContact CB-CD1 4.43Å; V374-I492 HydrophobicContact CG1-CD1 3.7Å; V374-I492 HydrophobicContact CG1-CG1 4.36Å; V374-I492 HydrophobicContact CG2-CD1 3.75Å; L378-I492 HydrophobicContact CD2-CB 3.84Å; L378-I492 HydrophobicContact CD2-CD1 3.79Å; L378-I492 HydrophobicContact CD2-CG1 3.96Å; E380-I492 WeakPolarHBondContact OE2-CD1 3.24Å; Y488-I492 HydrophobicContact CD1-CD1 4.25Å; Y488-I492 HydrophobicContact CD2-CG2 4.01Å; Y488-I492 HydrophobicContact CE1-CD1 3.64Å; Y488-I492 HydrophobicContact CE1-CG2 4.41Å; Y488-I492 HydrophobicContact CE2-CG2 3.58Å; Y488-I492 PolarHBondContact O-N 2.88Å; I489-I492 HydrophobicContact CD1-CD1 4.26Å; I489-I492 WeakPolarHBondContact O-CG1 3.43Å; I492-R494 PolarHBondContact O-N 2.8Å; I492-T495 WeakPolarHBondContact O-CG2 3.44Å; I492-T495 PolarHBondContact O-N 3.32Å; I492-A504 HydrophobicContact CB-CB 3.87Å; I492-A504 HydrophobicContact CG2-CB 3.58Å
493	G	84.9	Confident	87.1	Confident	1 Å²	1	34 Å²	34	1%	0.01	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	0.9	172.5	0	0	0	0	0	116.1	T110 I489 R491 R497	T110-G493 WeakPolarHBondContact CB-O 3.43Å; T110-G493 WeakPolarHBondContact OG1-CA 3.34Å; T110-G493 PolarHBondContact OG1-O 3.24Å; I489-G493 PolarHBondContact O-N 3.25Å; R491-G493 PolarHBondContact O-N 2.85Å; G493-R497 PolarHBondContact O-NE 3.15Å
494	R	87.9	Confident	87.3	Confident	12 Å²	12	29.6 Å²	29.6	5%	0.045	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-18.3	172.4	-56.4	-69.7	141.3	-171.1	-10.4	113	L407 F409 A465 V473 V476 H490 R491 I492	L407-R494 HydrophobicContact CD2-CB 3.6Å; L407-R494 HydrophobicContact CD2-CG 3.83Å; F409-R494 HydrophobicContact CE2-CG 4.07Å; F409-R494 HydrophobicContact CZ-CG 3.81Å; A465-R494 PolarHBondContact O-NH1 3.22Å; V473-R494 WeakPolarHBondContact CB-O 3.3Å; V476-R494 HydrophobicContact CG2-CB 3.87Å; H490-R494 PolarHBondContact O-NE 3.16Å; R491-R494 VanDerWaalsContact O-CB 3.31Å; R491-R494 WeakPolarHBondContact O-CB 3.37Å; R491-R494 WeakPolarHBondContact O-CG 3.36Å; R491-R494 PolarHBondContact O-N 3.47Å; R491-R494 VanDerWaalsContact O-N 3.09Å; I492-R494 PolarHBondContact O-N 2.8Å
495	T	90.6	Very high	87.8	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.012	15%	0.149	C	C	.	.	S	Bend	trans	-112.2	178.4	171.6	-175.2	0	0	0	0	109.8	L378 V473 E474 V476 I492 R497 G502	L378-T495 HydrophobicContact CD1-CG2 3.38Å; V473-T495 VanDerWaalsContact O-CB 3.29Å; V473-T495 WeakPolarHBondContact O-CB 3.33Å; V473-T495 PolarHBondContact O-OG1 3.04Å; E474-T495 PolarHBondContact O-OG1 3.34Å; V476-T495 HydrophobicContact CB-CG2 4.11Å; V476-T495 HydrophobicContact CG2-CG2 3.63Å; I492-T495 WeakPolarHBondContact O-CG2 3.44Å; I492-T495 PolarHBondContact O-N 3.32Å; T495-R497 VanDerWaalsContact C-N 3.29Å; T495-R497 PolarHBondContact O-N 3.39Å; T495-G502 WeakPolarHBondContact OG1-CA 3.34Å
496	A	86.4	Confident	88.2	Confident	5 Å²	5	27.4 Å²	27.4	4%	0.041	15%	0.145	C	C	.	.	S	Bend	trans	55.3	37.7	-177.8	0	0	0	0	0	114.6	P375 L378 K500	P375-A496 HydrophobicContact CB-CB 3.88Å; P375-A496 WeakPolarHBondContact CB-O 3.4Å; P375-A496 HydrophobicContact CG-CB 4.26Å; L378-A496 HydrophobicContact CB-CB 3.84Å; L378-A496 HydrophobicContact CD1-CB 3.85Å; L378-A496 HydrophobicContact CG-CB 4.48Å; A496-K500 VanDerWaalsContact CA-O 3.23Å; A496-K500 WeakPolarHBondContact CA-O 3.21Å
497	R	83.3	Confident	88.9	Confident	42 Å²	42	25.3 Å²	25.3	16%	0.158	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-83.2	149.5	178.5	-65	-173.7	171	-176.9	0.9	111.6	D469 G493 T495 G499 K500	D469-R497 IonicContact OD1-CZ 3.37Å; D469-R497 IonicContact OD1-NH1 2.7Å; D469-R497 PolarHBondContact OD1-NH1 2.97Å; G493-R497 PolarHBondContact O-NE 3.15Å; T495-R497 VanDerWaalsContact C-N 3.29Å; T495-R497 PolarHBondContact O-N 3.39Å; R497-G499 PolarHBondContact O-N 3.24Å; R497-G499 VanDerWaalsContact O-N 3.14Å; R497-K500 WeakPolarHBondContact O-CB 3.45Å; R497-K500 PolarHBondContact O-N 3.37Å
498	A	77.3	Confident	89.2	Confident	53 Å²	53	23.8 Å²	23.8	44%	0.438	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	49.1	40.2	174.7	0	0	0	0	0	113.6	F76 G111 K500	F76-A498 HydrophobicContact CE2-CB 4.19Å; F76-A498 HydrophobicContact CZ-CB 3.9Å; G111-A498 PolarHBondContact O-N 3.05Å; A498-K500 VanDerWaalsContact C-N 3.25Å; A498-K500 PolarHBondContact O-N 2.71Å
499	G	77.9	Confident	89.3	Confident	44 Å²	44	25 Å²	25	45%	0.454	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	79.3	-4.5	177.4	0	0	0	0	0	115.6	L47 R497	L47-G499 VanDerWaalsContact CD1-CA 3.47Å; R497-G499 PolarHBondContact O-N 3.24Å; R497-G499 VanDerWaalsContact O-N 3.14Å
500	K	84.8	Confident	89.4	Confident	106 Å²	106	29.8 Å²	29.8	46%	0.461	17%	0.166	S	C	.	.			trans	-63.9	151.1	174.5	-65.4	179.8	177.5	175.7	0	110.3	S377 D472 A496 R497 A498	S377-K500 WeakPolarHBondContact CB-O 3.39Å; S377-K500 PolarHBondContact OG-O 3.26Å; D472-K500 IonicContact OD1-NZ 3.27Å; D472-K500 PolarHBondContact OD1-NZ 2.84Å; D472-K500 IonicContact OD2-NZ 3.75Å; A496-K500 VanDerWaalsContact CA-O 3.23Å; A496-K500 WeakPolarHBondContact CA-O 3.21Å; R497-K500 WeakPolarHBondContact O-CB 3.45Å; R497-K500 PolarHBondContact O-N 3.37Å; A498-K500 VanDerWaalsContact C-N 3.25Å; A498-K500 PolarHBondContact O-N 2.71Å
501	K	89.5	Confident	89.7	Confident	188 Å²	188	35.8 Å²	35.8	82%	0.817	20%	0.198	S	C	*	.			trans	-71.4	146.8	170.5	-66.3	-174.8	179.4	-178.8	0	109.9
502	G	92.2	Very high	89.7	Confident	4 Å²	4	38.8 Å²	38.8	4%	0.041	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	154	176.8	0	0	0	0	0	111.7	S377 E379 T495	S377-G502 PolarHBondContact O-N 3.45Å; E379-G502 PolarHBondContact N-O 3.05Å; T495-G502 WeakPolarHBondContact OG1-CA 3.34Å
503	T	95.4	Very high	89.7	Confident	9 Å²	9	39.9 Å²	39.9	6%	0.055	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129	175.3	-45.1	0	0	0	0	110.7	E379 F381 K403 E474 C475 V476 Y505	E379-T503 HydrophobicContact CB-CG2 4.31Å; E379-T503 CarbonylContact O-C 3.53Å; E379-T503 WeakPolarHBondContact O-CA 3.45Å; F381-T503 HydrophobicContact CD2-CG2 3.67Å; F381-T503 HydrophobicContact CE2-CG2 3.63Å; K403-T503 PolarHBondContact NZ-OG1 3.2Å; E474-T503 PolarHBondContact O-N 3.09Å; C475-T503 CarbonylContact C-O 3.5Å; C475-T503 VanDerWaalsContact CA-O 3.23Å; C475-T503 WeakPolarHBondContact CA-O 2.96Å; V476-T503 PolarHBondContact N-O 2.94Å; T503-Y505 HydrophobicContact CG2-CD2 4.2Å; T503-Y505 HydrophobicContact CG2-CE1 4.31Å; T503-Y505 HydrophobicContact CG2-CE2 3.48Å; T503-Y505 VanDerWaalsContact CG2-CE2 3.48Å
504	A	95.5	Very high	89.9	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.008	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.7	175.7	0	0	0	0	0	111.2	L378 E379 F381 V476 I492	L378-A504 HydrophobicContact CD1-CB 4.11Å; L378-A504 HydrophobicContact CD2-CB 4.35Å; E379-A504 PolarHBondContact O-N 2.88Å; F381-A504 PolarHBondContact N-O 2.94Å; V476-A504 CarbonylContact O-C 3.58Å; V476-A504 WeakPolarHBondContact O-CA 3.36Å; I492-A504 HydrophobicContact CB-CB 3.87Å; I492-A504 HydrophobicContact CG2-CB 3.58Å
505	Y	97.5	Very high	89.9	Confident	18 Å²	18	52.4 Å²	52.4	7%	0.071	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.3	172.8	-62.5	-80.6	0	0	0	110.3	F381 V383 F393 L397 C475 V476 V477 S478 T503 L531	F381-Y505 HydrophobicContact CB-CD1 3.45Å; F381-Y505 VanDerWaalsContact CB-CD1 3.45Å; F381-Y505 HydrophobicContact CB-CE1 3.67Å; F381-Y505 HydrophobicContact CB-CG 4.43Å; F381-Y505 HydrophobicContact CD1-CE1 4.46Å; F381-Y505 HydrophobicContact CD2-CD1 4.08Å; F381-Y505 AromaticContact CD2-CE1 3.55Å; F381-Y505 HydrophobicContact CD2-CE1 3.55Å; F381-Y505 HydrophobicContact CE2-CE1 4.29Å; F381-Y505 AromaticContact CG-CD1 3.98Å; F381-Y505 HydrophobicContact CG-CD1 3.98Å; F381-Y505 AromaticContact CG-CE1 3.64Å; F381-Y505 HydrophobicContact CG-CE1 3.64Å; F381-Y505 WeakPolarHBondContact O-CA 3.35Å; V383-Y505 HydrophobicContact CG2-CD1 3.7Å; V383-Y505 HydrophobicContact CG2-CG 4.4Å; F393-Y505 HydrophobicContact CE1-CD1 4.07Å; F393-Y505 HydrophobicContact CE1-CD2 4.3Å; F393-Y505 AromaticContact CE1-CG 3.82Å; F393-Y505 HydrophobicContact CE1-CG 3.82Å; F393-Y505 AromaticContact CZ-CD1 3.69Å; F393-Y505 HydrophobicContact CZ-CD1 3.69Å; F393-Y505 HydrophobicContact CZ-CE1 4.15Å; F393-Y505 AromaticContact CZ-CG 3.94Å; F393-Y505 HydrophobicContact CZ-CG 3.94Å; L397-Y505 HydrophobicContact CD1-CD2 3.93Å; L397-Y505 HydrophobicContact CD1-CE2 4.17Å; L397-Y505 HydrophobicContact CD2-CD2 4.21Å; L397-Y505 HydrophobicContact CD2-CE2 3.7Å; C475-Y505 VanDerWaalsContact SG-CD2 3.54Å; V476-Y505 PolarHBondContact O-N 3.46Å; V477-Y505 CarbonylContact C-O 3.59Å; V477-Y505 WeakPolarHBondContact CA-O 3.37Å; V477-Y505 HydrophobicContact CG2-CD2 4.36Å; S478-Y505 PolarHBondContact N-O 3.33Å; T503-Y505 HydrophobicContact CG2-CD2 4.2Å; T503-Y505 HydrophobicContact CG2-CE1 4.31Å; T503-Y505 HydrophobicContact CG2-CE2 3.48Å; T503-Y505 VanDerWaalsContact CG2-CE2 3.48Å; Y505-L531 HydrophobicContact CE1-CD1 4.33Å
506	N	96.6	Very high	89.9	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.011	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	115.8	172.5	-168.6	22.4	0	0	0	110.3	F381 L382 V383 S478 P482 Y488 F516	F381-N506 PolarHBondContact O-N 3.42Å; L382-N506 HydrophobicContact CD2-CB 3.98Å; V383-N506 PolarHBondContact N-O 3.3Å; S478-N506 WeakPolarHBondContact CB-OD1 3.31Å; P482-N506 WeakPolarHBondContact CD-OD1 3.2Å; Y488-N506 HydrophobicContact CE2-CB 4.31Å; N506-F516 WeakPolarHBondContact ND2-CD1 3.46Å; N506-F516 WeakPolarHBondContact ND2-CE1 3.29Å; N506-F516 VanDerWaalsContact ND2-CZ 3.25Å; N506-F516 WeakPolarHBondContact ND2-CZ 3.39Å
507	L	97	Very high	90.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	118.5	-178.1	-55.3	-168	0	0	0	110.2	V383 R390 F393 V477 S478 Y479	V383-L507 HydrophobicContact CB-CD2 3.69Å; V383-L507 HydrophobicContact CG1-CD2 3.93Å; V383-L507 HydrophobicContact CG2-CD2 4.14Å; R390-L507 HydrophobicContact CB-CD1 3.87Å; R390-L507 HydrophobicContact CG-CB 4.4Å; R390-L507 HydrophobicContact CG-CD1 4.02Å; F393-L507 HydrophobicContact CB-CD1 4.28Å; F393-L507 HydrophobicContact CB-CD2 4.45Å; F393-L507 HydrophobicContact CD1-CD1 4.22Å; F393-L507 HydrophobicContact CD1-CD2 3.51Å; F393-L507 HydrophobicContact CD1-CG 4.42Å; F393-L507 HydrophobicContact CE1-CD2 3.76Å; F393-L507 HydrophobicContact CG-CD2 3.91Å; F393-L507 HydrophobicContact CZ-CD2 4.41Å; V477-L507 HydrophobicContact CG1-CD1 4.21Å; V477-L507 HydrophobicContact CG1-CG 4.11Å; S478-L507 WeakPolarHBondContact O-CB 3.44Å; S478-L507 WeakPolarHBondContact O-CG 3.41Å; S478-L507 PolarHBondContact O-N 3.32Å; Y479-L507 HydrophobicContact CD2-CD1 4.2Å
508	L	94.8	Very high	90.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136.7	-173.3	-61.6	172	0	0	0	109.8	L382 V383 T384 A385 V481 Q512 F513 F516	L382-L508 HydrophobicContact CB-CD1 4.27Å; L382-L508 HydrophobicContact CD1-CD1 4.48Å; L382-L508 HydrophobicContact CD2-CD1 4.01Å; L382-L508 HydrophobicContact CG-CD1 4.46Å; V383-L508 PolarHBondContact O-N 3.24Å; T384-L508 CarbonylContact C-O 3.59Å; T384-L508 WeakPolarHBondContact CA-O 3.34Å; A385-L508 PolarHBondContact N-O 2.99Å; V481-L508 HydrophobicContact CB-CD2 4.03Å; V481-L508 HydrophobicContact CG2-CD2 3.26Å; L508-Q512 HydrophobicContact CB-CB 4.43Å; L508-Q512 HydrophobicContact CD2-CB 4.2Å; L508-F513 HydrophobicContact CB-CB 4.38Å; L508-F513 HydrophobicContact CD1-CD2 4.02Å; L508-F516 HydrophobicContact CD1-CB 4.22Å; L508-F516 HydrophobicContact CD1-CD1 3.97Å; L508-F516 HydrophobicContact CD1-CG 4.3Å; L508-F516 HydrophobicContact CD2-CB 4.29Å; L508-F516 HydrophobicContact CD2-CD1 4.49Å; L508-F516 HydrophobicContact CD2-CG 4.23Å
509	S	92	Very high	90.7	Very high	27 Å²	27	61 Å²	61	19%	0.189	30%	0.301	C	S	.	.			trans	-70.4	164.6	161.7	61.7	0	0	0	0	110.5	N511 Q512 F513	S509-N511 VanDerWaalsContact C-N 3.27Å; S509-N511 PolarHBondContact O-N 2.85Å; S509-Q512 VanDerWaalsContact N-OE1 3.08Å; S509-Q512 PolarHBondContact O-N 2.88Å; S509-Q512 VanDerWaalsContact O-N 3.17Å; S509-Q512 WeakPolarHBondContact OG-CB 3.46Å; S509-Q512 WeakPolarHBondContact OG-CG 3.4Å; S509-Q512 PolarHBondContact OG-N 2.94Å; S509-Q512 PolarHBondContact OG-OE1 3.28Å; S509-F513 PolarHBondContact O-N 3.02Å
510	T	89.5	Confident	91.1	Very high	104 Å²	104	59 Å²	59	64%	0.638	28%	0.28	S	S	*	.	H	α-helix	trans	-54.2	-44	179.2	-47.7	0	0	0	0	112.1	F513	T510-F513 WeakPolarHBondContact O-CB 3.48Å; T510-F513 PolarHBondContact O-N 3.02Å
511	N	89.1	Confident	91.1	Very high	130 Å²	130	59.7 Å²	59.7	70%	0.695	28%	0.283	S	S	*	.	H	α-helix	trans	-67.8	-42.7	-179.7	-59.9	-2.1	0	0	0	111.1	S509 F513 H515	S509-N511 VanDerWaalsContact C-N 3.27Å; S509-N511 PolarHBondContact O-N 2.85Å; N511-F513 VanDerWaalsContact C-N 3.3Å; N511-F513 PolarHBondContact O-N 3.27Å; N511-H515 PolarHBondContact O-CD2 2.89Å; N511-H515 VanDerWaalsContact O-CD2 3.28Å
512	Q	91.5	Very high	90.5	Very high	63 Å²	63	57.1 Å²	57.1	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-66.5	-31.7	179	-71.9	166	-25.8	0	0	112.5	R390 L508 S509 Y514 H515 F516	R390-Q512 VanDerWaalsContact NH2-OE1 3.09Å; L508-Q512 HydrophobicContact CB-CB 4.43Å; L508-Q512 HydrophobicContact CD2-CB 4.2Å; S509-Q512 VanDerWaalsContact N-OE1 3.08Å; S509-Q512 PolarHBondContact O-N 2.88Å; S509-Q512 VanDerWaalsContact O-N 3.17Å; S509-Q512 WeakPolarHBondContact OG-CB 3.46Å; S509-Q512 WeakPolarHBondContact OG-CG 3.4Å; S509-Q512 PolarHBondContact OG-N 2.94Å; S509-Q512 PolarHBondContact OG-OE1 3.28Å; Q512-Y514 PolarHBondContact O-N 3.27Å; Q512-H515 PolarHBondContact O-N 2.91Å; Q512-F516 VanDerWaalsContact O-CB 3.23Å; Q512-F516 WeakPolarHBondContact O-CB 3Å; Q512-F516 PolarHBondContact O-N 3.45Å
513	F	90.3	Very high	89.7	Confident	26 Å²	26	57.3 Å²	57.3	11%	0.114	28%	0.278	C	S	.	.	H	α-helix	trans	-57.9	-45.5	-177.2	-174.3	-86.7	0	0	0	112.7	L382 L508 S509 T510 N511 K517 Q530	L382-F513 HydrophobicContact CB-CD2 4.29Å; L382-F513 HydrophobicContact CB-CE2 3.63Å; L382-F513 HydrophobicContact CB-CZ 4.49Å; L382-F513 HydrophobicContact CD1-CE2 4.02Å; L382-F513 HydrophobicContact CD1-CZ 4.32Å; L382-F513 HydrophobicContact CG-CE2 4.49Å; L508-F513 HydrophobicContact CB-CB 4.38Å; L508-F513 HydrophobicContact CD1-CD2 4.02Å; S509-F513 PolarHBondContact O-N 3.02Å; T510-F513 WeakPolarHBondContact O-CB 3.48Å; T510-F513 PolarHBondContact O-N 3.02Å; N511-F513 VanDerWaalsContact C-N 3.3Å; N511-F513 PolarHBondContact O-N 3.27Å; F513-K517 HydrophobicContact CE1-CD 3.84Å; F513-K517 HydrophobicContact CZ-CD 4.27Å; F513-K517 VanDerWaalsContact O-CB 3.22Å; F513-K517 WeakPolarHBondContact O-CB 3.46Å; F513-K517 PolarHBondContact O-N 2.94Å; F513-Q530 HydrophobicContact CE2-CG 3.86Å; F513-Q530 HydrophobicContact CZ-CB 4.32Å; F513-Q530 HydrophobicContact CZ-CG 3.78Å
514	Y	88.4	Confident	88.7	Confident	161 Å²	161	58 Å²	58	63%	0.631	29%	0.287	S	S	*	.	H	α-helix	trans	-63.7	-51.6	-179.2	177.5	-95.2	0	0	0	111.8	Q512 K517 K518	Q512-Y514 PolarHBondContact O-N 3.27Å; Y514-K517 PolarHBondContact O-N 3.45Å; Y514-K518 PolarHBondContact O-N 2.99Å
515	H	88.7	Confident	87.8	Confident	115 Å²	115	60.9 Å²	60.9	53%	0.532	30%	0.298	S	S	.	.	H	α-helix	trans	-61.3	-48.1	-179.8	-67.3	-69.6	0	0	0	111.4	N511 Q512 K517 K518 D519	N511-H515 PolarHBondContact O-CD2 2.89Å; N511-H515 VanDerWaalsContact O-CD2 3.28Å; Q512-H515 PolarHBondContact O-N 2.91Å; H515-K517 VanDerWaalsContact C-N 3.34Å; H515-K517 PolarHBondContact O-N 3.4Å; H515-K518 WeakPolarHBondContact O-CB 3.45Å; H515-K518 PolarHBondContact O-N 2.95Å; H515-K518 VanDerWaalsContact O-N 3.09Å; H515-D519 VanDerWaalsContact O-CG 3.29Å; H515-D519 PolarHBondContact O-N 3.41Å
516	F	91	Very high	86.4	Confident	11 Å²	11	68.1 Å²	68.1	5%	0.048	33%	0.329	C	S	.	.	H	α-helix	trans	-63.6	-39.5	-178.6	-164	-98.5	0	0	0	112.4	L382 V481 P482 I485 Y488 N506 L508 Q512 K518 D519 L520	L382-F516 HydrophobicContact CD2-CD1 4.14Å; L382-F516 HydrophobicContact CD2-CE1 4.1Å; V481-F516 HydrophobicContact CG2-CD2 3.81Å; V481-F516 HydrophobicContact CG2-CE2 4.23Å; V481-F516 HydrophobicContact CG2-CG 4.41Å; P482-F516 HydrophobicContact CB-CE2 4.4Å; P482-F516 HydrophobicContact CG-CE2 4.24Å; P482-F516 HydrophobicContact CG-CZ 4.29Å; I485-F516 HydrophobicContact CD1-CD2 4.4Å; I485-F516 HydrophobicContact CD1-CE2 3.92Å; I485-F516 HydrophobicContact CD1-CZ 4.08Å; Y488-F516 HydrophobicContact CD1-CZ 4.3Å; Y488-F516 HydrophobicContact CD2-CE1 4.11Å; Y488-F516 AromaticContact CD2-CZ 3.59Å; Y488-F516 HydrophobicContact CD2-CZ 3.59Å; Y488-F516 HydrophobicContact CE2-CE1 4.16Å; Y488-F516 HydrophobicContact CE2-CZ 4.12Å; Y488-F516 HydrophobicContact CG-CE1 4.39Å; Y488-F516 AromaticContact CG-CZ 3.67Å; Y488-F516 HydrophobicContact CG-CZ 3.67Å; N506-F516 WeakPolarHBondContact ND2-CD1 3.46Å; N506-F516 WeakPolarHBondContact ND2-CE1 3.29Å; N506-F516 VanDerWaalsContact ND2-CZ 3.25Å; N506-F516 WeakPolarHBondContact ND2-CZ 3.39Å; L508-F516 HydrophobicContact CD1-CB 4.22Å; L508-F516 HydrophobicContact CD1-CD1 3.97Å; L508-F516 HydrophobicContact CD1-CG 4.3Å; L508-F516 HydrophobicContact CD2-CB 4.29Å; L508-F516 HydrophobicContact CD2-CD1 4.49Å; L508-F516 HydrophobicContact CD2-CG 4.23Å; Q512-F516 VanDerWaalsContact O-CB 3.23Å; Q512-F516 WeakPolarHBondContact O-CB 3Å; Q512-F516 PolarHBondContact O-N 3.45Å; F516-K518 VanDerWaalsContact C-N 3.33Å; F516-K518 PolarHBondContact O-N 3.17Å; F516-D519 PolarHBondContact O-N 3.38Å; F516-L520 HydrophobicContact CD1-CD1 3.5Å; F516-L520 VanDerWaalsContact CD1-CD1 3.5Å; F516-L520 HydrophobicContact CD1-CG 4.11Å; F516-L520 HydrophobicContact CE1-CD1 3.38Å; F516-L520 HydrophobicContact CE1-CD2 4.28Å; F516-L520 HydrophobicContact CE1-CG 3.87Å; F516-L520 HydrophobicContact CZ-CD1 4.4Å; F516-L520 HydrophobicContact CZ-CG 4.47Å; F516-L520 WeakPolarHBondContact O-CB 3.35Å; F516-L520 VanDerWaalsContact O-CG 3.32Å; F516-L520 WeakPolarHBondContact O-CG 3.43Å; F516-L520 PolarHBondContact O-N 3.04Å
517	K	89.5	Confident	85.3	Confident	87 Å²	87	76.3 Å²	76.3	38%	0.378	37%	0.365	S	S	.	.	H	α-helix	trans	-65.8	-35.5	175.4	-172.6	174.8	-176.4	177.2	0	111.9	F513 Y514 H515 K521	F513-K517 HydrophobicContact CE1-CD 3.84Å; F513-K517 HydrophobicContact CZ-CD 4.27Å; F513-K517 VanDerWaalsContact O-CB 3.22Å; F513-K517 WeakPolarHBondContact O-CB 3.46Å; F513-K517 PolarHBondContact O-N 2.94Å; Y514-K517 PolarHBondContact O-N 3.45Å; H515-K517 VanDerWaalsContact C-N 3.34Å; H515-K517 PolarHBondContact O-N 3.4Å; K517-K521 WeakPolarHBondContact O-CG 3.48Å; K517-K521 PolarHBondContact O-N 3.38Å; K517-K521 VanDerWaalsContact O-N 3.14Å
518	K	87.3	Confident	84.7	Confident	113 Å²	113	77.9 Å²	77.9	49%	0.491	37%	0.373	S	S	.	.	H	α-helix	trans	-64.9	-48.2	174.2	-177.2	-176.1	175.1	-176.1	0	110.8	Y514 H515 F516 L520 K521 L522	Y514-K518 PolarHBondContact O-N 2.99Å; H515-K518 WeakPolarHBondContact O-CB 3.45Å; H515-K518 PolarHBondContact O-N 2.95Å; H515-K518 VanDerWaalsContact O-N 3.09Å; F516-K518 VanDerWaalsContact C-N 3.33Å; F516-K518 PolarHBondContact O-N 3.17Å; K518-L520 VanDerWaalsContact C-N 3.32Å; K518-L520 PolarHBondContact O-N 3.03Å; K518-K521 WeakPolarHBondContact O-CB 3.46Å; K518-K521 PolarHBondContact O-N 3.37Å; K518-K521 VanDerWaalsContact O-N 3.14Å; K518-L522 PolarHBondContact O-N 3.46Å
519	D	86.5	Confident	84.6	Confident	73 Å²	73	83.2 Å²	83.2	39%	0.39	40%	0.396	S	S	.	.	H	α-helix	trans	-63.6	-38.6	-179.6	-62.4	-17.1	0	0	0	111.8	I485 H515 F516 L522 A523	I485-D519 HydrophobicContact CD1-CB 3.76Å; I485-D519 HydrophobicContact CG1-CB 3.85Å; H515-D519 VanDerWaalsContact O-CG 3.29Å; H515-D519 PolarHBondContact O-N 3.41Å; F516-D519 PolarHBondContact O-N 3.38Å; D519-L522 PolarHBondContact O-N 2.99Å; D519-A523 WeakPolarHBondContact O-CB 3.42Å; D519-A523 PolarHBondContact O-N 3.48Å
520	L	86.5	Confident	84.6	Confident	2 Å²	2	86.5 Å²	86.5	1%	0.01	41%	0.409	C	S	.	.	H	α-helix	trans	-62	-42.5	172.8	-78.5	168.4	0	0	0	112.7	L382 I485 Y488 F516 K518 L522 A523 G524 R525 I528	L382-L520 HydrophobicContact CD1-CD1 4.22Å; L382-L520 HydrophobicContact CD2-CD1 4.33Å; I485-L520 HydrophobicContact CD1-CD2 3.95Å; I485-L520 HydrophobicContact CD1-CG 3.95Å; I485-L520 HydrophobicContact CG2-CD2 4.45Å; Y488-L520 HydrophobicContact CD1-CD2 3.9Å; Y488-L520 HydrophobicContact CE1-CD2 3.7Å; F516-L520 HydrophobicContact CD1-CD1 3.5Å; F516-L520 VanDerWaalsContact CD1-CD1 3.5Å; F516-L520 HydrophobicContact CD1-CG 4.11Å; F516-L520 HydrophobicContact CE1-CD1 3.38Å; F516-L520 HydrophobicContact CE1-CD2 4.28Å; F516-L520 HydrophobicContact CE1-CG 3.87Å; F516-L520 HydrophobicContact CZ-CD1 4.4Å; F516-L520 HydrophobicContact CZ-CG 4.47Å; F516-L520 WeakPolarHBondContact O-CB 3.35Å; F516-L520 VanDerWaalsContact O-CG 3.32Å; F516-L520 WeakPolarHBondContact O-CG 3.43Å; F516-L520 PolarHBondContact O-N 3.04Å; K518-L520 VanDerWaalsContact C-N 3.32Å; K518-L520 PolarHBondContact O-N 3.03Å; L520-L522 VanDerWaalsContact C-N 3.33Å; L520-A523 CarbonylContact O-C 3.56Å; L520-A523 PolarHBondContact O-N 2.88Å; L520-G524 PolarHBondContact O-N 3.27Å; L520-R525 CarbonylContact C-O 3.54Å; L520-R525 HydrophobicContact CB-CB 4.22Å; L520-R525 HydrophobicContact CD2-CB 4.21Å; L520-R525 HydrophobicContact CD2-CG 4.27Å; L520-R525 WeakPolarHBondContact O-CA 3.33Å; L520-R525 WeakPolarHBondContact O-CB 3.45Å; L520-R525 PolarHBondContact O-N 3.31Å; L520-I528 HydrophobicContact CD1-CD1 3.5Å; L520-I528 VanDerWaalsContact CD1-CD1 3.5Å; L520-I528 HydrophobicContact CD2-CD1 4.02Å; L520-I528 HydrophobicContact CG-CD1 4.22Å
521	K	83.9	Confident	84.7	Confident	120 Å²	120	82.9 Å²	82.9	52%	0.522	39%	0.385	S	S	.	.	H	α-helix	trans	-62.4	-42.2	176.4	-76.8	178.4	177.8	-171.2	0	111.4	K517 K518 A523 G524	K517-K521 WeakPolarHBondContact O-CG 3.48Å; K517-K521 PolarHBondContact O-N 3.38Å; K517-K521 VanDerWaalsContact O-N 3.14Å; K518-K521 WeakPolarHBondContact O-CB 3.46Å; K518-K521 PolarHBondContact O-N 3.37Å; K518-K521 VanDerWaalsContact O-N 3.14Å; K521-A523 VanDerWaalsContact C-N 3.28Å; K521-A523 PolarHBondContact O-N 2.97Å; K521-G524 WeakPolarHBondContact O-CA 3.45Å; K521-G524 PolarHBondContact O-N 3.21Å
522	L	77.6	Confident	84.7	Confident	133 Å²	133	83 Å²	83	70%	0.696	38%	0.382	S	S	*	.	H	α-helix	trans	-62.3	-37.6	175.3	-68.9	172.8	0	0	0	111.5	K518 D519 L520 G524	K518-L522 PolarHBondContact O-N 3.46Å; D519-L522 PolarHBondContact O-N 2.99Å; L520-L522 VanDerWaalsContact C-N 3.33Å; L522-G524 PolarHBondContact O-N 3.04Å; L522-G524 VanDerWaalsContact O-N 3.15Å
523	A	74.9	Confident	84.7	Confident	8 Å²	8	80.6 Å²	80.6	7%	0.066	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	7.9	172	0	0	0	0	0	114.4	F372 I485 D519 L520 K521	F372-A523 HydrophobicContact CD2-CB 4Å; F372-A523 HydrophobicContact CE2-CB 4.26Å; I485-A523 HydrophobicContact CG2-CB 3.82Å; D519-A523 WeakPolarHBondContact O-CB 3.42Å; D519-A523 PolarHBondContact O-N 3.48Å; L520-A523 CarbonylContact O-C 3.56Å; L520-A523 PolarHBondContact O-N 2.88Å; K521-A523 VanDerWaalsContact C-N 3.28Å; K521-A523 PolarHBondContact O-N 2.97Å
524	G	74.2	Confident	84.7	Confident	23 Å²	23	84.9 Å²	84.9	24%	0.237	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	15.4	178.1	0	0	0	0	0	115.3	L520 K521 L522	L520-G524 PolarHBondContact O-N 3.27Å; K521-G524 WeakPolarHBondContact O-CA 3.45Å; K521-G524 PolarHBondContact O-N 3.21Å; L522-G524 PolarHBondContact O-N 3.04Å; L522-G524 VanDerWaalsContact O-N 3.15Å
525	R	77.7	Confident	84.8	Confident	63 Å²	63	82.5 Å²	82.5	24%	0.238	39%	0.385	C	S	.	.			trans	-99.2	100.1	177	-63	-61.8	-51.5	160.5	2.2	110.7	E380 L520 I528	E380-R525 IonicContact OE1-CZ 3.67Å; E380-R525 IonicContact OE1-NE 3.91Å; E380-R525 IonicContact OE1-NH2 3.49Å; E380-R525 PolarHBondContact OE1-NH2 3.2Å; L520-R525 CarbonylContact C-O 3.54Å; L520-R525 HydrophobicContact CB-CB 4.22Å; L520-R525 HydrophobicContact CD2-CB 4.21Å; L520-R525 HydrophobicContact CD2-CG 4.27Å; L520-R525 WeakPolarHBondContact O-CA 3.33Å; L520-R525 WeakPolarHBondContact O-CB 3.45Å; L520-R525 PolarHBondContact O-N 3.31Å; R525-I528 HydrophobicContact CB-CD1 4.18Å
526	K	67.4	Low	84.9	Confident	169 Å²	169	80.8 Å²	80.8	74%	0.735	39%	0.386	S	S	*	.			trans	-96.9	-29.8	-177.4	-66.6	-177.7	-177.9	175.5	0	115.2
527	K	74.4	Confident	84.9	Confident	175 Å²	175	82.8 Å²	82.8	76%	0.761	39%	0.394	S	S	*	.			trans	-112.4	74.3	-168.9	-64.5	179.9	-179.1	173.8	0	112.7
528	I	84.5	Confident	85	Confident	32 Å²	32	80.2 Å²	80.2	16%	0.164	38%	0.382	C	S	.	.			trans	-111.8	131.6	173.1	-61.3	162.8	0	0	0	109.7	E380 L382 L520 R525	E380-I528 HydrophobicContact CB-CG1 4.4Å; E380-I528 HydrophobicContact CB-CG2 3.81Å; L382-I528 HydrophobicContact CD1-CG2 4.35Å; L382-I528 HydrophobicContact CD2-CG2 4.21Å; L382-I528 HydrophobicContact CG-CG2 3.71Å; L520-I528 HydrophobicContact CD1-CD1 3.5Å; L520-I528 VanDerWaalsContact CD1-CD1 3.5Å; L520-I528 HydrophobicContact CD2-CD1 4.02Å; L520-I528 HydrophobicContact CG-CD1 4.22Å; R525-I528 HydrophobicContact CB-CD1 4.18Å
529	K	90.9	Very high	85.1	Confident	112 Å²	112	77.2 Å²	77.2	49%	0.487	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	135.2	-178.5	-62.3	175.9	-177.2	173.9	0	109.6	E379 E380 F381 L382	E379-K529 IonicContact OE1-NZ 2.94Å; E379-K529 PolarHBondContact OE1-NZ 3.13Å; E380-K529 PolarHBondContact O-N 3.38Å; F381-K529 CarbonylContact C-O 3.55Å; F381-K529 VanDerWaalsContact CA-O 3.3Å; F381-K529 WeakPolarHBondContact CA-O 3.24Å; F381-K529 HydrophobicContact CD1-CB 3.7Å; F381-K529 HydrophobicContact CD1-CD 4.36Å; F381-K529 HydrophobicContact CE1-CB 3.82Å; F381-K529 HydrophobicContact CE1-CD 3.64Å; F381-K529 HydrophobicContact CE1-CG 4.36Å; F381-K529 HydrophobicContact CZ-CD 3.9Å; L382-K529 PolarHBondContact N-O 3.13Å
530	Q	92.1	Very high	85.4	Confident	97 Å²	97	78.4 Å²	78.4	45%	0.453	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134	172.2	-179.9	175.8	-9.3	0	0	109.5	L382 F513	L382-Q530 WeakPolarHBondContact O-CA 3.39Å; F513-Q530 HydrophobicContact CE2-CG 3.86Å; F513-Q530 HydrophobicContact CZ-CB 4.32Å; F513-Q530 HydrophobicContact CZ-CG 3.78Å
531	L	91.5	Very high	85.7	Confident	27 Å²	27	78.8 Å²	78.8	14%	0.141	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119.8	176	-176	152.1	0	0	0	109.7	F381 L382 V383 T384 F393 Y505	F381-L531 HydrophobicContact CD1-CB 4.28Å; F381-L531 HydrophobicContact CD1-CD1 4.38Å; L382-L531 PolarHBondContact O-N 2.83Å; V383-L531 WeakPolarHBondContact CA-O 3.37Å; V383-L531 HydrophobicContact CG1-CD2 4.02Å; V383-L531 HydrophobicContact CG2-CB 4.32Å; V383-L531 HydrophobicContact CG2-CD2 4.28Å; T384-L531 PolarHBondContact N-O 2.67Å; F393-L531 HydrophobicContact CE2-CD2 4.14Å; Y505-L531 HydrophobicContact CE1-CD1 4.33Å
532	Q	89.6	Confident	86	Confident	134 Å²	134	75.4 Å²	75.4	63%	0.626	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	126.8	171.4	-63.3	-170.1	13	0	0	110.4	H534 K537	Q532-H534 VanDerWaalsContact C-N 3.32Å; Q532-H534 PolarHBondContact O-N 3.5Å; Q532-K537 PolarHBondContact O-NZ 2.85Å
533	F	92.4	Very high	86.8	Confident	12 Å²	12	72.8 Å²	72.8	5%	0.053	37%	0.366	C	S	.	.			trans	-91.2	69.4	177.3	-169.1	-135.7	0	0	0	111.1	V383 A385 I389 L392 F393 Y396 K537 W538	V383-F533 HydrophobicContact CG1-CB 3.94Å; A385-F533 HydrophobicContact CB-CD1 4.42Å; I389-F533 HydrophobicContact CD1-CD1 4.08Å; L392-F533 HydrophobicContact CB-CE1 4.34Å; L392-F533 HydrophobicContact CB-CZ 4.43Å; F393-F533 HydrophobicContact CB-CD1 4.28Å; F393-F533 HydrophobicContact CB-CE1 3.83Å; F393-F533 HydrophobicContact CB-CZ 4.03Å; F393-F533 HydrophobicContact CD2-CB 4.42Å; F393-F533 AromaticContact CD2-CD1 3.98Å; F393-F533 HydrophobicContact CD2-CD1 3.98Å; F393-F533 AromaticContact CD2-CD2 3.6Å; F393-F533 HydrophobicContact CD2-CD2 3.6Å; F393-F533 HydrophobicContact CD2-CE1 4.07Å; F393-F533 AromaticContact CD2-CE2 3.71Å; F393-F533 HydrophobicContact CD2-CE2 3.71Å; F393-F533 AromaticContact CD2-CG 3.75Å; F393-F533 HydrophobicContact CD2-CG 3.75Å; F393-F533 AromaticContact CD2-CZ 3.93Å; F393-F533 HydrophobicContact CD2-CZ 3.93Å; F393-F533 HydrophobicContact CE2-CD2 4.08Å; F393-F533 HydrophobicContact CE2-CE2 4.41Å; F393-F533 HydrophobicContact CE2-CG 4.39Å; F393-F533 HydrophobicContact CG-CE1 4.48Å; F393-F533 HydrophobicContact CG-CZ 4.47Å; Y396-F533 AromaticContact CD1-CE2 3.98Å; Y396-F533 HydrophobicContact CD1-CE2 3.98Å; Y396-F533 HydrophobicContact CD2-CE2 4.25Å; Y396-F533 AromaticContact CG-CE2 3.81Å; Y396-F533 HydrophobicContact CG-CE2 3.81Å; Y396-F533 HydrophobicContact CG-CZ 4.41Å; F533-K537 HydrophobicContact CD2-CB 4.01Å; F533-K537 HydrophobicContact CD2-CD 4Å; F533-K537 HydrophobicContact CE2-CB 3.75Å; F533-K537 HydrophobicContact CE2-CD 4.44Å; F533-W538 AromaticContact CD1-CD1 3.77Å; F533-W538 HydrophobicContact CE1-CB 4.07Å; F533-W538 AromaticContact CE1-CD1 3.49Å; F533-W538 VanDerWaalsContact CE1-CD1 3.49Å; F533-W538 AromaticContact CE1-CG 3.96Å; F533-W538 HydrophobicContact CE1-CG 3.96Å; F533-W538 HydrophobicContact CE2-CB 4.31Å; F533-W538 HydrophobicContact CZ-CB 3.63Å; F533-W538 AromaticContact CZ-CD1 3.65Å; F533-W538 AromaticContact CZ-CG 3.96Å; F533-W538 HydrophobicContact CZ-CG 3.96Å; F533-W538 PolarHBondContact O-NE1 2.8Å
534	H	90.1	Very high	87.7	Confident	115 Å²	115	74.6 Å²	74.6	53%	0.532	37%	0.373	S	S	.	.			trans	-60.5	151	-177.9	-170.7	-95.3	0	0	0	113	Q532 S536 K537	Q532-H534 VanDerWaalsContact C-N 3.32Å; Q532-H534 PolarHBondContact O-N 3.5Å; H534-S536 VanDerWaalsContact C-N 3.27Å; H534-S536 PolarHBondContact ND1-N 3.5Å; H534-S536 PolarHBondContact ND1-OG 3.04Å; H534-S536 PolarHBondContact O-N 3.05Å; H534-K537 WeakPolarHBondContact O-CB 3.49Å; H534-K537 PolarHBondContact O-N 3.25Å
535	Q	90.3	Very high	88.6	Confident	112 Å²	112	74.7 Å²	74.7	52%	0.523	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-55.8	-35.7	-176.1	-171.7	170.9	10	0	0	114	K537 W538 S539	Q535-K537 PolarHBondContact O-N 3.35Å; Q535-K537 VanDerWaalsContact O-N 3.09Å; Q535-W538 HydrophobicContact CB-CZ2 4.11Å; Q535-W538 HydrophobicContact CG-CH2 4.1Å; Q535-W538 HydrophobicContact CG-CZ2 3.83Å; Q535-W538 PolarHBondContact O-N 3.43Å; Q535-S539 VanDerWaalsContact O-CB 3.31Å; Q535-S539 WeakPolarHBondContact O-CB 3.4Å; Q535-S539 PolarHBondContact O-N 3.28Å; Q535-S539 PolarHBondContact O-OG 3.2Å
536	S	91.6	Very high	89.4	Confident	78 Å²	78	76.2 Å²	76.2	55%	0.545	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-56.4	-26.5	175.8	56.3	0	0	0	0	113.9	H534	H534-S536 VanDerWaalsContact C-N 3.27Å; H534-S536 PolarHBondContact ND1-N 3.5Å; H534-S536 PolarHBondContact ND1-OG 3.04Å; H534-S536 PolarHBondContact O-N 3.05Å
537	K	90.6	Very high	90.6	Very high	53 Å²	53	71.6 Å²	71.6	23%	0.23	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-79	-18	179.7	-63.3	178.2	-179.9	172.1	0	113.5	Y396 Q532 F533 H534 Q535 H540	Y396-K537 HydrophobicContact CD2-CB 4.04Å; Y396-K537 HydrophobicContact CE2-CB 3.86Å; Y396-K537 HydrophobicContact CE2-CD 4.16Å; Y396-K537 HydrophobicContact CE2-CG 4.09Å; Q532-K537 PolarHBondContact O-NZ 2.85Å; F533-K537 HydrophobicContact CD2-CB 4.01Å; F533-K537 HydrophobicContact CD2-CD 4Å; F533-K537 HydrophobicContact CE2-CB 3.75Å; F533-K537 HydrophobicContact CE2-CD 4.44Å; H534-K537 WeakPolarHBondContact O-CB 3.49Å; H534-K537 PolarHBondContact O-N 3.25Å; Q535-K537 PolarHBondContact O-N 3.35Å; Q535-K537 VanDerWaalsContact O-N 3.09Å; K537-H540 PolarHBondContact O-CE1 2.94Å; K537-H540 VanDerWaalsContact O-CE1 3.23Å
538	W	90.7	Very high	91.4	Very high	34 Å²	34	63.3 Å²	63.3	13%	0.129	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.9	-12	-173.5	60.4	-100.1	0	0	0	115.7	I389 L392 F533 Q535 H540 F541 N542	I389-W538 HydrophobicContact CD1-CZ2 4.39Å; I389-W538 HydrophobicContact CG2-CD2 4.5Å; I389-W538 HydrophobicContact CG2-CE3 4.48Å; I389-W538 HydrophobicContact CG2-CH2 3.96Å; I389-W538 HydrophobicContact CG2-CZ2 3.97Å; I389-W538 HydrophobicContact CG2-CZ3 4.19Å; L392-W538 HydrophobicContact CB-CB 4.04Å; L392-W538 HydrophobicContact CD1-CB 4.07Å; L392-W538 HydrophobicContact CD1-CD2 4Å; L392-W538 HydrophobicContact CD1-CE3 3.47Å; L392-W538 VanDerWaalsContact CD1-CE3 3.47Å; L392-W538 HydrophobicContact CD1-CG 4.27Å; L392-W538 HydrophobicContact CD1-CZ3 4.21Å; F533-W538 AromaticContact CD1-CD1 3.77Å; F533-W538 HydrophobicContact CE1-CB 4.07Å; F533-W538 AromaticContact CE1-CD1 3.49Å; F533-W538 VanDerWaalsContact CE1-CD1 3.49Å; F533-W538 AromaticContact CE1-CG 3.96Å; F533-W538 HydrophobicContact CE1-CG 3.96Å; F533-W538 HydrophobicContact CE2-CB 4.31Å; F533-W538 HydrophobicContact CZ-CB 3.63Å; F533-W538 AromaticContact CZ-CD1 3.65Å; F533-W538 AromaticContact CZ-CG 3.96Å; F533-W538 HydrophobicContact CZ-CG 3.96Å; F533-W538 PolarHBondContact O-NE1 2.8Å; Q535-W538 HydrophobicContact CB-CZ2 4.11Å; Q535-W538 HydrophobicContact CG-CH2 4.1Å; Q535-W538 HydrophobicContact CG-CZ2 3.83Å; Q535-W538 PolarHBondContact O-N 3.43Å; W538-H540 VanDerWaalsContact C-N 3.28Å; W538-H540 PolarHBondContact O-N 3.24Å; W538-F541 HydrophobicContact CB-CD2 4.42Å; W538-F541 WeakPolarHBondContact O-CB 3.33Å; W538-F541 PolarHBondContact O-N 3.46Å; W538-N542 WeakPolarHBondContact CZ3-ND2 3.41Å; W538-N542 WeakPolarHBondContact CZ3-OD1 3.23Å
539	S	90.9	Very high	91.8	Very high	50 Å²	50	63.5 Å²	63.5	35%	0.35	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-54.7	-40.3	-176.4	54.9	0	0	0	0	113.8	Q535 F541 N542	Q535-S539 VanDerWaalsContact O-CB 3.31Å; Q535-S539 WeakPolarHBondContact O-CB 3.4Å; Q535-S539 PolarHBondContact O-N 3.28Å; Q535-S539 PolarHBondContact O-OG 3.2Å; S539-F541 PolarHBondContact O-N 3.49Å; S539-N542 VanDerWaalsContact O-CB 3.25Å; S539-N542 WeakPolarHBondContact O-CB 3.09Å; S539-N542 VanDerWaalsContact O-CG 3.32Å; S539-N542 PolarHBondContact O-N 2.85Å; S539-N542 VanDerWaalsContact O-N 3.1Å; S539-N542 PolarHBondContact O-ND2 2.9Å
540	H	92.2	Very high	91.9	Very high	97 Å²	97	64.9 Å²	64.9	45%	0.449	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-70	-12.5	179.1	53.4	-81.7	0	0	0	113.4	Q400 K537 W538	Q400-H540 PolarHBondContact NE2-CE1 3.46Å; Q400-H540 PolarHBondContact NE2-NE2 2.88Å; K537-H540 PolarHBondContact O-CE1 2.94Å; K537-H540 VanDerWaalsContact O-CE1 3.23Å; W538-H540 VanDerWaalsContact C-N 3.28Å; W538-H540 PolarHBondContact O-N 3.24Å
541	F	92.1	Very high	91.7	Very high	10 Å²	10	64 Å²	64	4%	0.044	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-88.9	-7.5	171.9	-56.9	-47.9	0	0	0	113.1	L392 V395 R399 Q400 W538 S539 A543 E544 Y545	L392-F541 HydrophobicContact CD2-CB 3.84Å; V395-F541 HydrophobicContact CG1-CD1 4.06Å; V395-F541 HydrophobicContact CG1-CD2 4.01Å; V395-F541 HydrophobicContact CG1-CE1 4.16Å; V395-F541 HydrophobicContact CG1-CE2 4.11Å; V395-F541 HydrophobicContact CG1-CG 4Å; V395-F541 HydrophobicContact CG1-CZ 4.17Å; R399-F541 HydrophobicContact CB-CE1 4.46Å; R399-F541 HydrophobicContact CB-CZ 4.13Å; Q400-F541 HydrophobicContact CG-CZ 4.25Å; W538-F541 HydrophobicContact CB-CD2 4.42Å; W538-F541 WeakPolarHBondContact O-CB 3.33Å; W538-F541 PolarHBondContact O-N 3.46Å; S539-F541 PolarHBondContact O-N 3.49Å; F541-A543 PolarHBondContact O-N 3.22Å; F541-E544 PolarHBondContact O-N 3.39Å; F541-Y545 VanDerWaalsContact O-CB 3.31Å; F541-Y545 WeakPolarHBondContact O-CB 3.3Å; F541-Y545 PolarHBondContact O-N 3.23Å
542	N	91.4	Very high	91.5	Very high	49 Å²	49	64.2 Å²	64.2	26%	0.262	33%	0.326	S	S	.	.	H	α-helix	trans	-60.8	-43.7	-172.8	-77.5	-18.5	0	0	0	113.6	W538 S539 E544 Y545 Q546	W538-N542 WeakPolarHBondContact CZ3-ND2 3.41Å; W538-N542 WeakPolarHBondContact CZ3-OD1 3.23Å; S539-N542 VanDerWaalsContact O-CB 3.25Å; S539-N542 WeakPolarHBondContact O-CB 3.09Å; S539-N542 VanDerWaalsContact O-CG 3.32Å; S539-N542 PolarHBondContact O-N 2.85Å; S539-N542 VanDerWaalsContact O-N 3.1Å; S539-N542 PolarHBondContact O-ND2 2.9Å; N542-E544 VanDerWaalsContact C-N 3.35Å; N542-E544 PolarHBondContact O-N 3Å; N542-Y545 PolarHBondContact O-N 3.08Å; N542-Q546 WeakPolarHBondContact O-CG 3.43Å; N542-Q546 PolarHBondContact O-N 3.34Å
543	A	92.9	Very high	91.4	Very high	79 Å²	79	62.6 Å²	62.6	65%	0.653	32%	0.319	S	S	*	.	H	α-helix	trans	-60.4	-46.3	179.9	0	0	0	0	0	111.4	F541 Q546 V547	F541-A543 PolarHBondContact O-N 3.22Å; A543-Q546 PolarHBondContact O-N 2.82Å; A543-V547 WeakPolarHBondContact O-CG2 3.5Å; A543-V547 PolarHBondContact O-N 2.94Å
544	E	93.4	Very high	91.2	Very high	46 Å²	46	67.5 Å²	67.5	22%	0.215	34%	0.343	C	S	.	.	H	α-helix	trans	-66.5	-38.8	176.3	-174	178.8	-178.6	0	0	111.8	R399 F426 K427 F541 N542 Q546 V547 A548	R399-E544 IonicContact CZ-OE1 3.8Å; R399-E544 IonicContact CZ-OE2 3.25Å; R399-E544 VanDerWaalsContact CZ-OE2 3.25Å; R399-E544 IonicContact NH1-OE1 3.94Å; R399-E544 IonicContact NH1-OE2 2.64Å; R399-E544 PolarHBondContact NH1-OE2 2.91Å; R399-E544 VanDerWaalsContact NH2-CD 3.28Å; R399-E544 IonicContact NH2-OE1 2.8Å; R399-E544 PolarHBondContact NH2-OE1 3.01Å; R399-E544 IonicContact NH2-OE2 2.96Å; R399-E544 PolarHBondContact NH2-OE2 3.09Å; F426-E544 HydrophobicContact CD1-CG 3.89Å; F426-E544 HydrophobicContact CE1-CG 4.32Å; K427-E544 PolarHBondContact N-OE1 3.48Å; F541-E544 PolarHBondContact O-N 3.39Å; N542-E544 VanDerWaalsContact C-N 3.35Å; N542-E544 PolarHBondContact O-N 3Å; E544-Q546 PolarHBondContact O-N 3.37Å; E544-V547 PolarHBondContact O-N 3.26Å; E544-A548 WeakPolarHBondContact O-CB 3.47Å; E544-A548 PolarHBondContact O-N 3.44Å
545	Y	94.6	Very high	90.9	Very high	25 Å²	25	64.3 Å²	64.3	10%	0.098	33%	0.334	C	S	.	.	H	α-helix	trans	-62.3	-41.8	178.9	179	-135.7	0	0	0	112.5	D388 V391 L392 L422 F426 F541 N542 V547 A548 L549	D388-Y545 PolarHBondContact O-OH 3.24Å; V391-Y545 HydrophobicContact CB-CE2 4.48Å; L392-Y545 HydrophobicContact CD1-CD1 4.11Å; L392-Y545 HydrophobicContact CD2-CD1 4.15Å; L392-Y545 HydrophobicContact CD2-CD2 4.2Å; L392-Y545 HydrophobicContact CD2-CG 3.77Å; L392-Y545 HydrophobicContact CG-CD1 4.25Å; L392-Y545 HydrophobicContact CG-CG 4.32Å; L422-Y545 HydrophobicContact CD1-CE2 4.48Å; L422-Y545 HydrophobicContact CD2-CE2 4.21Å; F426-Y545 HydrophobicContact CE1-CD2 4.48Å; F426-Y545 HydrophobicContact CE2-CD2 4.26Å; F426-Y545 AromaticContact CZ-CD2 3.57Å; F426-Y545 HydrophobicContact CZ-CD2 3.57Å; F426-Y545 HydrophobicContact CZ-CE2 4.46Å; F426-Y545 HydrophobicContact CZ-CG 4.24Å; F541-Y545 VanDerWaalsContact O-CB 3.31Å; F541-Y545 WeakPolarHBondContact O-CB 3.3Å; F541-Y545 PolarHBondContact O-N 3.23Å; N542-Y545 PolarHBondContact O-N 3.08Å; Y545-V547 VanDerWaalsContact C-N 3.33Å; Y545-V547 PolarHBondContact O-N 3.15Å; Y545-A548 PolarHBondContact O-N 3.44Å; Y545-L549 HydrophobicContact CD1-CD1 4.3Å; Y545-L549 HydrophobicContact CD2-CD1 4.28Å; Y545-L549 HydrophobicContact CD2-CG 4.07Å; Y545-L549 HydrophobicContact CE1-CD1 3.84Å; Y545-L549 HydrophobicContact CE2-CD1 3.84Å; Y545-L549 HydrophobicContact CE2-CD2 3.92Å; Y545-L549 HydrophobicContact CE2-CG 3.67Å; Y545-L549 WeakPolarHBondContact O-CG 3.44Å; Y545-L549 PolarHBondContact O-N 3.31Å
546	Q	93.8	Very high	90.6	Very high	94 Å²	94	60.9 Å²	60.9	44%	0.439	32%	0.319	S	S	.	.	H	α-helix	trans	-63.3	-39.5	175	-67.6	-60.7	-26	0	0	111.8	N542 A543 E544 L549 R550	N542-Q546 WeakPolarHBondContact O-CG 3.43Å; N542-Q546 PolarHBondContact O-N 3.34Å; A543-Q546 PolarHBondContact O-N 2.82Å; E544-Q546 PolarHBondContact O-N 3.37Å; Q546-L549 PolarHBondContact O-N 2.92Å; Q546-R550 WeakPolarHBondContact O-CG 3.45Å; Q546-R550 PolarHBondContact O-N 3.47Å; Q546-R550 VanDerWaalsContact O-N 3.08Å
547	V	93	Very high	90.3	Very high	72 Å²	72	64 Å²	64	44%	0.436	32%	0.323	S	S	.	.	H	α-helix	trans	-65	-44	173.8	174.2	0	0	0	0	111	A543 E544 Y545 L549 R550 N551	A543-V547 WeakPolarHBondContact O-CG2 3.5Å; A543-V547 PolarHBondContact O-N 2.94Å; E544-V547 PolarHBondContact O-N 3.26Å; Y545-V547 VanDerWaalsContact C-N 3.33Å; Y545-V547 PolarHBondContact O-N 3.15Å; V547-L549 VanDerWaalsContact C-N 3.34Å; V547-L549 PolarHBondContact O-N 3.04Å; V547-R550 PolarHBondContact O-N 3.21Å; V547-N551 VanDerWaalsContact O-CG 3.24Å; V547-N551 PolarHBondContact O-N 2.92Å; V547-N551 PolarHBondContact O-ND2 2.91Å
548	A	91.7	Very high	89.9	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.008	34%	0.336	C	S	.	.	H	α-helix	trans	-62	-40.3	177.7	0	0	0	0	0	112	L422 F426 E544 Y545 N551 Y552	L422-A548 HydrophobicContact CD1-CB 4.11Å; F426-A548 HydrophobicContact CD2-CB 4.1Å; F426-A548 HydrophobicContact CE2-CB 3.98Å; F426-A548 HydrophobicContact CG-CB 4.48Å; F426-A548 HydrophobicContact CZ-CB 4.24Å; E544-A548 WeakPolarHBondContact O-CB 3.47Å; E544-A548 PolarHBondContact O-N 3.44Å; Y545-A548 PolarHBondContact O-N 3.44Å; A548-N551 PolarHBondContact O-N 3.11Å; A548-Y552 WeakPolarHBondContact O-CB 3.12Å; A548-Y552 PolarHBondContact O-N 3.01Å
549	L	92.2	Very high	89.2	Confident	36 Å²	36	67.5 Å²	67.5	19%	0.188	35%	0.35	C	S	.	.	H	α-helix	trans	-62.8	-45.8	174.5	-77.2	173.7	0	0	0	112.1	L422 Y545 Q546 V547 N551 Y552 E553	L422-L549 HydrophobicContact CD1-CD2 3.89Å; L422-L549 HydrophobicContact CD1-CG 4.32Å; L422-L549 HydrophobicContact CD2-CD2 4.05Å; Y545-L549 HydrophobicContact CD1-CD1 4.3Å; Y545-L549 HydrophobicContact CD2-CD1 4.28Å; Y545-L549 HydrophobicContact CD2-CG 4.07Å; Y545-L549 HydrophobicContact CE1-CD1 3.84Å; Y545-L549 HydrophobicContact CE2-CD1 3.84Å; Y545-L549 HydrophobicContact CE2-CD2 3.92Å; Y545-L549 HydrophobicContact CE2-CG 3.67Å; Y545-L549 WeakPolarHBondContact O-CG 3.44Å; Y545-L549 PolarHBondContact O-N 3.31Å; Q546-L549 PolarHBondContact O-N 2.92Å; V547-L549 VanDerWaalsContact C-N 3.34Å; V547-L549 PolarHBondContact O-N 3.04Å; L549-N551 PolarHBondContact O-N 3.23Å; L549-Y552 WeakPolarHBondContact O-CB 3.29Å; L549-Y552 PolarHBondContact O-N 2.98Å; L549-E553 WeakPolarHBondContact O-CG 3.43Å; L549-E553 PolarHBondContact O-N 3.2Å
550	R	92	Very high	88.7	Confident	142 Å²	142	69.3 Å²	69.3	54%	0.536	36%	0.356	S	S	.	.	H	α-helix	trans	-61.3	-45.8	176.2	-71	-178.9	-165.3	130.7	0.9	112	Q546 V547 Y552 E553 M554	Q546-R550 WeakPolarHBondContact O-CG 3.45Å; Q546-R550 PolarHBondContact O-N 3.47Å; Q546-R550 VanDerWaalsContact O-N 3.08Å; V547-R550 PolarHBondContact O-N 3.21Å; R550-Y552 VanDerWaalsContact C-N 3.29Å; R550-Y552 PolarHBondContact O-N 3.23Å; R550-E553 PolarHBondContact O-N 2.94Å; R550-M554 VanDerWaalsContact O-CG 3.3Å; R550-M554 WeakPolarHBondContact O-CG 3.26Å; R550-M554 PolarHBondContact O-N 3.39Å
551	N	88.2	Confident	88	Confident	77 Å²	77	71.1 Å²	71.1	41%	0.412	36%	0.363	S	S	.	.	H	α-helix	trans	-61.6	-41.4	177.4	-68.5	-13	0	0	0	111.4	V547 A548 L549 M554 S555	V547-N551 VanDerWaalsContact O-CG 3.24Å; V547-N551 PolarHBondContact O-N 2.92Å; V547-N551 PolarHBondContact O-ND2 2.91Å; A548-N551 PolarHBondContact O-N 3.11Å; L549-N551 PolarHBondContact O-N 3.23Å; N551-M554 PolarHBondContact O-N 2.84Å; N551-S555 WeakPolarHBondContact O-CB 3.5Å; N551-S555 PolarHBondContact O-N 3.5Å
552	Y	87.6	Confident	87.1	Confident	32 Å²	32	76.9 Å²	76.9	13%	0.125	39%	0.387	C	S	.	.	H	α-helix	trans	-62.2	-49.1	175.6	168.8	-98.6	0	0	0	111.9	R418 M421 L422 A548 L549 R550 M554 S555 I556	R418-Y552 HydrophobicContact CB-CE2 4.49Å; R418-Y552 WeakPolarHBondContact CB-OH 3.41Å; R418-Y552 WeakPolarHBondContact CG-OH 3.11Å; R418-Y552 WeakPolarHBondContact O-CE2 3.41Å; M421-Y552 HydrophobicContact CB-CD2 3.81Å; M421-Y552 HydrophobicContact CB-CE2 3.78Å; M421-Y552 HydrophobicContact CE-CE2 3.83Å; L422-Y552 HydrophobicContact CB-CD2 4.07Å; L422-Y552 HydrophobicContact CB-CE2 4.35Å; L422-Y552 HydrophobicContact CB-CG 4.43Å; L422-Y552 HydrophobicContact CD1-CG 4.36Å; A548-Y552 WeakPolarHBondContact O-CB 3.12Å; A548-Y552 PolarHBondContact O-N 3.01Å; L549-Y552 WeakPolarHBondContact O-CB 3.29Å; L549-Y552 PolarHBondContact O-N 2.98Å; R550-Y552 VanDerWaalsContact C-N 3.29Å; R550-Y552 PolarHBondContact O-N 3.23Å; Y552-M554 VanDerWaalsContact C-N 3.33Å; Y552-M554 PolarHBondContact O-N 2.93Å; Y552-S555 PolarHBondContact O-N 2.98Å; Y552-S555 VanDerWaalsContact O-N 3.11Å; Y552-S555 PolarHBondContact O-OG 3.08Å; Y552-I556 HydrophobicContact CD1-CD1 4.15Å; Y552-I556 HydrophobicContact CD2-CD1 4.31Å; Y552-I556 HydrophobicContact CE1-CD1 3.45Å; Y552-I556 VanDerWaalsContact CE1-CD1 3.45Å; Y552-I556 HydrophobicContact CE2-CD1 3.65Å; Y552-I556 HydrophobicContact CE2-CG1 4.36Å; Y552-I556 PolarHBondContact O-N 3.01Å; Y552-I556 VanDerWaalsContact OH-CD1 3.23Å; Y552-I556 WeakPolarHBondContact OH-CD1 3.49Å
553	E	88.7	Confident	86.3	Confident	101 Å²	101	81.8 Å²	81.8	47%	0.472	40%	0.404	S	S	.	.	H	α-helix	trans	-59.3	-42.7	176.2	-76	176.4	-168	0	0	112.1	L549 R550 S555 I556 K557	L549-E553 WeakPolarHBondContact O-CG 3.43Å; L549-E553 PolarHBondContact O-N 3.2Å; R550-E553 PolarHBondContact O-N 2.94Å; E553-S555 VanDerWaalsContact C-N 3.34Å; E553-S555 PolarHBondContact O-N 3.49Å; E553-I556 PolarHBondContact O-N 2.73Å; E553-K557 WeakPolarHBondContact O-CG 3.37Å; E553-K557 PolarHBondContact O-N 3.41Å
554	M	86.8	Confident	85.4	Confident	114 Å²	114	83.1 Å²	83.1	56%	0.562	40%	0.398	S	S	*	.	H	α-helix	trans	-60.8	-43.6	173.8	-70.9	177.4	-172.7	0	0	111.4	R550 N551 Y552 I556 K557 I558	R550-M554 VanDerWaalsContact O-CG 3.3Å; R550-M554 WeakPolarHBondContact O-CG 3.26Å; R550-M554 PolarHBondContact O-N 3.39Å; N551-M554 PolarHBondContact O-N 2.84Å; Y552-M554 VanDerWaalsContact C-N 3.33Å; Y552-M554 PolarHBondContact O-N 2.93Å; M554-I556 VanDerWaalsContact C-N 3.32Å; M554-I556 PolarHBondContact O-N 2.98Å; M554-K557 PolarHBondContact O-N 3.45Å; M554-I558 WeakPolarHBondContact O-CD1 3.48Å; M554-I558 VanDerWaalsContact O-CG1 3.26Å; M554-I558 WeakPolarHBondContact O-CG1 3.44Å; M554-I558 PolarHBondContact O-N 3.37Å
555	S	83.6	Confident	84.5	Confident	49 Å²	49	84.1 Å²	84.1	34%	0.343	41%	0.405	S	S	.	.	H	α-helix	trans	-63	-36.8	179.4	76.7	0	0	0	0	113	N551 Y552 E553 S559	N551-S555 WeakPolarHBondContact O-CB 3.5Å; N551-S555 PolarHBondContact O-N 3.5Å; Y552-S555 PolarHBondContact O-N 2.98Å; Y552-S555 VanDerWaalsContact O-N 3.11Å; Y552-S555 PolarHBondContact O-OG 3.08Å; E553-S555 VanDerWaalsContact C-N 3.34Å; E553-S555 PolarHBondContact O-N 3.49Å; S555-S559 PolarHBondContact O-N 3.5Å; S555-S559 VanDerWaalsContact O-N 3.08Å; S555-S559 PolarHBondContact O-OG 3.4Å
556	I	84.1	Confident	83.6	Confident	40 Å²	40	87 Å²	87	21%	0.205	42%	0.423	C	S	.	.	H	α-helix	trans	-71	-46.4	176.3	-71.2	-179.4	0	0	0	111	M421 Y552 E553 M554 I558 S559 D560	M421-I556 HydrophobicContact CE-CD1 4.3Å; M421-I556 HydrophobicContact CE-CG1 4.3Å; Y552-I556 HydrophobicContact CD1-CD1 4.15Å; Y552-I556 HydrophobicContact CD2-CD1 4.31Å; Y552-I556 HydrophobicContact CE1-CD1 3.45Å; Y552-I556 VanDerWaalsContact CE1-CD1 3.45Å; Y552-I556 HydrophobicContact CE2-CD1 3.65Å; Y552-I556 HydrophobicContact CE2-CG1 4.36Å; Y552-I556 PolarHBondContact O-N 3.01Å; Y552-I556 VanDerWaalsContact OH-CD1 3.23Å; Y552-I556 WeakPolarHBondContact OH-CD1 3.49Å; E553-I556 PolarHBondContact O-N 2.73Å; M554-I556 VanDerWaalsContact C-N 3.32Å; M554-I556 PolarHBondContact O-N 2.98Å; I556-I558 PolarHBondContact O-N 3.36Å; I556-S559 WeakPolarHBondContact CA-OG 2.97Å; I556-S559 PolarHBondContact O-N 2.94Å; I556-S559 PolarHBondContact O-OG 3.01Å; I556-D560 WeakPolarHBondContact CG2-OD2 3.39Å; I556-D560 WeakPolarHBondContact O-CB 3.4Å; I556-D560 VanDerWaalsContact O-CG 3.26Å; I556-D560 PolarHBondContact O-N 2.66Å
557	K	85.1	Confident	82.7	Confident	144 Å²	144	85.8 Å²	85.8	63%	0.626	42%	0.418	S	S	*	.	H	α-helix	trans	-57.9	-37.5	176.6	-73.1	174.2	-179.4	175.6	0	111.8	E553 M554 K561	E553-K557 WeakPolarHBondContact O-CG 3.37Å; E553-K557 PolarHBondContact O-N 3.41Å; M554-K557 PolarHBondContact O-N 3.45Å; K557-K561 VanDerWaalsContact O-CB 3.26Å; K557-K561 WeakPolarHBondContact O-CB 3.47Å; K557-K561 PolarHBondContact O-N 3.49Å
558	I	82.5	Confident	81.8	Confident	100 Å²	100	84.8 Å²	84.8	51%	0.513	42%	0.415	S	S	.	.	H	α-helix	trans	-68	-42.6	175	-67.3	163.7	0	0	0	111.2	M554 I556 D560 K561 K562	M554-I558 WeakPolarHBondContact O-CD1 3.48Å; M554-I558 VanDerWaalsContact O-CG1 3.26Å; M554-I558 WeakPolarHBondContact O-CG1 3.44Å; M554-I558 PolarHBondContact O-N 3.37Å; I556-I558 PolarHBondContact O-N 3.36Å; I558-D560 VanDerWaalsContact C-N 3.34Å; I558-K561 PolarHBondContact O-N 2.84Å; I558-K562 HydrophobicContact CG2-CD 4.42Å; I558-K562 WeakPolarHBondContact O-CG 3.26Å; I558-K562 PolarHBondContact O-N 3.28Å
559	S	77.2	Confident	80.9	Confident	60 Å²	60	90.7 Å²	90.7	42%	0.42	44%	0.44	S	S	.	.	H	α-helix	trans	-64.9	-39.8	177.2	59.6	0	0	0	0	112.3	S555 I556 Y563	S555-S559 PolarHBondContact O-N 3.5Å; S555-S559 VanDerWaalsContact O-N 3.08Å; S555-S559 PolarHBondContact O-OG 3.4Å; I556-S559 WeakPolarHBondContact CA-OG 2.97Å; I556-S559 PolarHBondContact O-N 2.94Å; I556-S559 PolarHBondContact O-OG 3.01Å; S559-Y563 WeakPolarHBondContact O-CB 3.4Å; S559-Y563 PolarHBondContact O-N 3.33Å
560	D	80.6	Confident	79.6	Confident	88 Å²	88	94.9 Å²	94.9	47%	0.471	46%	0.459	S	S	.	.	H	α-helix	trans	-70.1	-40.3	179.1	-64.7	-11.4	0	0	0	110.7	I556 I558 Y563 I564	I556-D560 WeakPolarHBondContact CG2-OD2 3.39Å; I556-D560 WeakPolarHBondContact O-CB 3.4Å; I556-D560 VanDerWaalsContact O-CG 3.26Å; I556-D560 PolarHBondContact O-N 2.66Å; I558-D560 VanDerWaalsContact C-N 3.34Å; D560-Y563 WeakPolarHBondContact O-CB 3.46Å; D560-Y563 PolarHBondContact O-N 3.11Å; D560-I564 WeakPolarHBondContact O-CG1 3.46Å; D560-I564 PolarHBondContact O-N 2.92Å
561	K	76.8	Confident	78.5	Confident	135 Å²	135	93.8 Å²	93.8	59%	0.587	46%	0.46	S	S	*	.	H	α-helix	trans	-63.8	-44.5	174.9	-170.6	175	-179.1	178.1	0	112.3	K557 I558 Y563 I564 D565	K557-K561 VanDerWaalsContact O-CB 3.26Å; K557-K561 WeakPolarHBondContact O-CB 3.47Å; K557-K561 PolarHBondContact O-N 3.49Å; I558-K561 PolarHBondContact O-N 2.84Å; K561-Y563 VanDerWaalsContact C-N 3.27Å; K561-Y563 PolarHBondContact O-N 2.89Å; K561-I564 PolarHBondContact O-N 3.43Å; K561-D565 WeakPolarHBondContact O-CB 3.39Å; K561-D565 VanDerWaalsContact O-CG 3.23Å; K561-D565 PolarHBondContact O-N 3.49Å
562	K	73.8	Confident	77.3	Confident	130 Å²	130	94.4 Å²	94.4	57%	0.565	46%	0.463	S	S	*	.	H	α-helix	trans	-58.9	-40.8	174	-77.4	-178	178.9	-176.5	0	111.8	I558 D565 D566	I558-K562 HydrophobicContact CG2-CD 4.42Å; I558-K562 WeakPolarHBondContact O-CG 3.26Å; I558-K562 PolarHBondContact O-N 3.28Å; K562-D565 PolarHBondContact O-N 3.08Å; K562-D566 WeakPolarHBondContact O-CB 3.42Å; K562-D566 PolarHBondContact O-N 3.3Å
563	Y	73.5	Confident	75.9	Confident	153 Å²	153	97.5 Å²	97.5	60%	0.6	48%	0.482	S	S	*	.	H	α-helix	trans	-63.1	-42.6	176.7	-177.9	-105.9	0	0	0	112.3	S559 D560 K561 D566 L567	S559-Y563 WeakPolarHBondContact O-CB 3.4Å; S559-Y563 PolarHBondContact O-N 3.33Å; D560-Y563 WeakPolarHBondContact O-CB 3.46Å; D560-Y563 PolarHBondContact O-N 3.11Å; K561-Y563 VanDerWaalsContact C-N 3.27Å; K561-Y563 PolarHBondContact O-N 2.89Å; Y563-D566 PolarHBondContact O-N 3.45Å; Y563-L567 HydrophobicContact CD1-CD1 3.71Å; Y563-L567 HydrophobicContact CE1-CD1 3.32Å; Y563-L567 HydrophobicContact CE1-CG 4.44Å; Y563-L567 HydrophobicContact CE2-CD1 4.39Å; Y563-L567 HydrophobicContact CG-CD1 4.4Å; Y563-L567 WeakPolarHBondContact O-CB 3.16Å; Y563-L567 PolarHBondContact O-N 2.86Å
564	I	73.7	Confident	74.6	Confident	106 Å²	106	98.1 Å²	98.1	54%	0.544	49%	0.488	S	S	.	.	H	α-helix	trans	-65.2	-44.5	174.7	-66.3	165.6	0	0	0	111.3	D560 K561 D566 L567 S568	D560-I564 WeakPolarHBondContact O-CG1 3.46Å; D560-I564 PolarHBondContact O-N 2.92Å; K561-I564 PolarHBondContact O-N 3.43Å; I564-D566 VanDerWaalsContact C-N 3.34Å; I564-D566 PolarHBondContact O-N 3.07Å; I564-L567 WeakPolarHBondContact O-CB 3.35Å; I564-L567 PolarHBondContact O-N 3.41Å; I564-S568 PolarHBondContact O-N 3.47Å
565	D	75.6	Confident	73.2	Confident	67 Å²	67	98.5 Å²	98.5	36%	0.358	49%	0.487	S	S	.	.	H	α-helix	trans	-61.9	-41.9	178	-68.5	-20.1	0	0	0	110.9	K561 K562 S568 K569	K561-D565 WeakPolarHBondContact O-CB 3.39Å; K561-D565 VanDerWaalsContact O-CG 3.23Å; K561-D565 PolarHBondContact O-N 3.49Å; K562-D565 PolarHBondContact O-N 3.08Å; D565-S568 PolarHBondContact O-N 3.2Å; D565-S568 PolarHBondContact O-OG 3.25Å; D565-K569 WeakPolarHBondContact O-CG 3.4Å; D565-K569 PolarHBondContact O-N 3.08Å
566	D	75.4	Confident	71.8	Confident	87 Å²	87	100.4 Å²	100.4	47%	0.465	49%	0.493	S	S	.	.	H	α-helix	trans	-67.5	-38.7	177.2	-70.7	-21.4	0	0	0	112.3	K562 Y563 I564 K569 Q570	K562-D566 WeakPolarHBondContact O-CB 3.42Å; K562-D566 PolarHBondContact O-N 3.3Å; Y563-D566 PolarHBondContact O-N 3.45Å; I564-D566 VanDerWaalsContact C-N 3.34Å; I564-D566 PolarHBondContact O-N 3.07Å; D566-K569 PolarHBondContact O-N 3.4Å; D566-Q570 WeakPolarHBondContact O-CG 3.42Å; D566-Q570 PolarHBondContact O-N 3.48Å
567	L	74.4	Confident	70.3	Confident	67 Å²	67	103 Å²	103	35%	0.351	51%	0.51	S	S	.	.	H	α-helix	trans	-59.9	-47.3	171.4	-88.6	159.1	0	0	0	111.5	Y563 I564 K569 Q570 E571	Y563-L567 HydrophobicContact CD1-CD1 3.71Å; Y563-L567 HydrophobicContact CE1-CD1 3.32Å; Y563-L567 HydrophobicContact CE1-CG 4.44Å; Y563-L567 HydrophobicContact CE2-CD1 4.39Å; Y563-L567 HydrophobicContact CG-CD1 4.4Å; Y563-L567 WeakPolarHBondContact O-CB 3.16Å; Y563-L567 PolarHBondContact O-N 2.86Å; I564-L567 WeakPolarHBondContact O-CB 3.35Å; I564-L567 PolarHBondContact O-N 3.41Å; L567-K569 VanDerWaalsContact C-N 3.31Å; L567-K569 PolarHBondContact O-N 3.43Å; L567-Q570 PolarHBondContact O-N 2.96Å; L567-E571 PolarHBondContact O-N 3.46Å
568	S	75	Confident	68.7	Low	52 Å²	52	98.8 Å²	98.8	36%	0.364	50%	0.499	S	S	.	.	H	α-helix	trans	-63.6	-34.8	179	74.6	0	0	0	0	112.8	I564 D565 N572	I564-S568 PolarHBondContact O-N 3.47Å; D565-S568 PolarHBondContact O-N 3.2Å; D565-S568 PolarHBondContact O-OG 3.25Å; S568-N572 WeakPolarHBondContact O-CB 3.34Å; S568-N572 PolarHBondContact O-N 2.85Å; S568-N572 PolarHBondContact O-ND2 3.28Å
569	K	72	Confident	67.2	Low	124 Å²	124	99 Å²	99	54%	0.539	50%	0.498	S	S	.	.	H	α-helix	trans	-68.6	-38.7	173.8	-74.7	173.4	-174.8	168.7	0	112.3	D565 D566 L567 N572 N573	D565-K569 WeakPolarHBondContact O-CG 3.4Å; D565-K569 PolarHBondContact O-N 3.08Å; D566-K569 PolarHBondContact O-N 3.4Å; L567-K569 VanDerWaalsContact C-N 3.31Å; L567-K569 PolarHBondContact O-N 3.43Å; K569-N572 PolarHBondContact O-N 3.23Å; K569-N573 WeakPolarHBondContact O-CB 3.32Å; K569-N573 PolarHBondContact O-N 3.26Å
570	Q	65.1	Low	65.8	Low	124 Å²	124	102.3 Å²	102.3	58%	0.579	51%	0.507	S	S	*	.	H	α-helix	trans	-65.6	-41.8	175.3	-75.6	-176.5	-8.5	0	0	111.7	D566 L567 N573 N574	D566-Q570 WeakPolarHBondContact O-CG 3.42Å; D566-Q570 PolarHBondContact O-N 3.48Å; L567-Q570 PolarHBondContact O-N 2.96Å; Q570-N573 PolarHBondContact O-N 3.36Å; Q570-N574 WeakPolarHBondContact O-CB 3.31Å; Q570-N574 VanDerWaalsContact O-CG 3.23Å; Q570-N574 PolarHBondContact O-N 3.1Å; Q570-N574 PolarHBondContact O-ND2 3.38Å
571	E	68.1	Low	64.2	Low	119 Å²	119	101.6 Å²	101.6	56%	0.556	51%	0.509	S	S	*	.	H	α-helix	trans	-62.9	-42.3	174.5	-71.7	-176.9	170.9	0	0	112.3	L567 N574 K575	L567-E571 PolarHBondContact O-N 3.46Å; E571-N574 PolarHBondContact O-N 3.5Å; E571-K575 WeakPolarHBondContact O-CG 3.25Å; E571-K575 PolarHBondContact O-N 2.93Å
572	N	63.1	Low	62.7	Low	90 Å²	90	102.4 Å²	102.4	48%	0.481	52%	0.517	S	S	.	.	H	α-helix	trans	-67.6	-39.1	176.4	-76.7	-19.4	0	0	0	112.6	S568 K569 K575 L576	S568-N572 WeakPolarHBondContact O-CB 3.34Å; S568-N572 PolarHBondContact O-N 2.85Å; S568-N572 PolarHBondContact O-ND2 3.28Å; K569-N572 PolarHBondContact O-N 3.23Å; N572-K575 PolarHBondContact O-N 3.25Å; N572-L576 WeakPolarHBondContact O-CG 3.42Å; N572-L576 PolarHBondContact O-N 3.5Å
573	N	59.1	Low	61.1	Low	98 Å²	98	103.7 Å²	103.7	52%	0.524	52%	0.522	S	S	.	.	H	α-helix	trans	-65.2	-39.1	174.2	-79.7	-7.9	0	0	0	111.8	K569 Q570 K575 L576 V577	K569-N573 WeakPolarHBondContact O-CB 3.32Å; K569-N573 PolarHBondContact O-N 3.26Å; Q570-N573 PolarHBondContact O-N 3.36Å; N573-K575 VanDerWaalsContact C-N 3.31Å; N573-K575 PolarHBondContact O-N 3.21Å; N573-L576 PolarHBondContact O-N 3.33Å; N573-V577 VanDerWaalsContact O-CG2 3.29Å; N573-V577 WeakPolarHBondContact O-CG2 3.12Å; N573-V577 PolarHBondContact O-N 3.09Å
574	N	61.7	Low	59.3	Low	113 Å²	113	103.3 Å²	103.3	60%	0.604	53%	0.531	S	S	*	.	H	α-helix	trans	-66	-33.6	175	-71.1	-17.4	0	0	0	112.2	Q570 E571 S578	Q570-N574 WeakPolarHBondContact O-CB 3.31Å; Q570-N574 VanDerWaalsContact O-CG 3.23Å; Q570-N574 PolarHBondContact O-N 3.1Å; Q570-N574 PolarHBondContact O-ND2 3.38Å; E571-N574 PolarHBondContact O-N 3.5Å; N574-S578 PolarHBondContact O-N 2.91Å; N574-S578 VanDerWaalsContact O-N 3.15Å; N574-S578 PolarHBondContact O-OG 3.49Å
575	K	57.7	Low	57.3	Low	123 Å²	123	105.1 Å²	105.1	54%	0.535	54%	0.541	S	S	.	.	H	α-helix	trans	-67.7	-42.5	171	-75.5	177.7	-178.8	173.4	0	112.4	E571 N572 N573 S578 E579	E571-K575 WeakPolarHBondContact O-CG 3.25Å; E571-K575 PolarHBondContact O-N 2.93Å; N572-K575 PolarHBondContact O-N 3.25Å; N573-K575 VanDerWaalsContact C-N 3.31Å; N573-K575 PolarHBondContact O-N 3.21Å; K575-S578 VanDerWaalsContact CA-OG 3.31Å; K575-S578 WeakPolarHBondContact CA-OG 3.38Å; K575-S578 PolarHBondContact O-N 2.83Å; K575-S578 PolarHBondContact O-OG 2.97Å; K575-E579 WeakPolarHBondContact O-CB 3.31Å; K575-E579 WeakPolarHBondContact O-CG 3.48Å; K575-E579 PolarHBondContact O-N 3.47Å
576	L	52.8	Low	55.1	Low	89 Å²	89	110.7 Å²	110.7	47%	0.466	56%	0.562	S	S	.	*	H	α-helix	trans	-65.1	-40.1	177	-73.3	165.8	0	0	0	112.4	N572 N573 S578 E579 E580	N572-L576 WeakPolarHBondContact O-CG 3.42Å; N572-L576 PolarHBondContact O-N 3.5Å; N573-L576 PolarHBondContact O-N 3.33Å; L576-S578 VanDerWaalsContact C-N 3.33Å; L576-S578 PolarHBondContact O-N 3.17Å; L576-E579 PolarHBondContact O-N 3.2Å; L576-E580 WeakPolarHBondContact O-CB 3.26Å; L576-E580 WeakPolarHBondContact O-CG 3.3Å; L576-E580 PolarHBondContact O-N 3.27Å
577	V	53.8	Low	52.8	Low	93 Å²	93	116.4 Å²	116.4	56%	0.564	58%	0.583	S	S	*	*	H	α-helix	trans	-66	-35.4	175.5	174	0	0	0	0	111.7	N573 S581	N573-V577 VanDerWaalsContact O-CG2 3.29Å; N573-V577 WeakPolarHBondContact O-CG2 3.12Å; N573-V577 PolarHBondContact O-N 3.09Å; V577-S581 WeakPolarHBondContact O-CB 3.42Å; V577-S581 PolarHBondContact O-N 2.83Å; V577-S581 VanDerWaalsContact O-N 3.16Å; V577-S581 PolarHBondContact O-OG 3.47Å
578	S	51.2	Low	50.6	Low	56 Å²	56	118.7 Å²	118.7	39%	0.392	60%	0.602	S	S	.	*	H	α-helix	trans	-73.2	-33	173.9	46.6	0	0	0	0	112.8	N574 K575 L576 S581 M582	N574-S578 PolarHBondContact O-N 2.91Å; N574-S578 VanDerWaalsContact O-N 3.15Å; N574-S578 PolarHBondContact O-OG 3.49Å; K575-S578 VanDerWaalsContact CA-OG 3.31Å; K575-S578 WeakPolarHBondContact CA-OG 3.38Å; K575-S578 PolarHBondContact O-N 2.83Å; K575-S578 PolarHBondContact O-OG 2.97Å; L576-S578 VanDerWaalsContact C-N 3.33Å; L576-S578 PolarHBondContact O-N 3.17Å; S578-S581 WeakPolarHBondContact CA-OG 3.45Å; S578-S581 PolarHBondContact O-OG 2.82Å; S578-M582 WeakPolarHBondContact O-CG 3.33Å; S578-M582 PolarHBondContact O-N 3.25Å
579	E	51.5	Low	48.1	Very low	105 Å²	105	126.3 Å²	126.3	49%	0.491	63%	0.628	S	S	.	*	H	α-helix	trans	-74.6	-36.5	174.6	-75.1	-179.6	-176.6	0	0	113.4	K575 L576 M582 K583	K575-E579 WeakPolarHBondContact O-CB 3.31Å; K575-E579 WeakPolarHBondContact O-CG 3.48Å; K575-E579 PolarHBondContact O-N 3.47Å; L576-E579 PolarHBondContact O-N 3.2Å; E579-M582 PolarHBondContact O-N 3.45Å; E579-K583 PolarHBondContact O-N 2.96Å
580	E	46.3	Very low	45.9	Very low	129 Å²	129	126 Å²	126	60%	0.603	64%	0.642	S	S	*	*	H	α-helix	trans	-69.2	-38.4	175.5	-78.7	-177.2	162.9	0	0	112.2	L576 M582 K583 N584	L576-E580 WeakPolarHBondContact O-CB 3.26Å; L576-E580 WeakPolarHBondContact O-CG 3.3Å; L576-E580 PolarHBondContact O-N 3.27Å; E580-M582 VanDerWaalsContact C-N 3.26Å; E580-M582 PolarHBondContact O-N 3.3Å; E580-K583 PolarHBondContact O-N 2.64Å; E580-N584 PolarHBondContact O-N 2.84Å
581	S	47.5	Very low	43.9	Very low	74 Å²	74	129.3 Å²	129.3	52%	0.517	65%	0.654	S	S	.	*	H	α-helix	trans	-66.7	-27.5	171.9	48.7	0	0	0	0	112.6	V577 S578	V577-S581 WeakPolarHBondContact O-CB 3.42Å; V577-S581 PolarHBondContact O-N 2.83Å; V577-S581 VanDerWaalsContact O-N 3.16Å; V577-S581 PolarHBondContact O-OG 3.47Å; S578-S581 WeakPolarHBondContact CA-OG 3.45Å; S578-S581 PolarHBondContact O-OG 2.82Å
582	M	45.1	Very low	41.8	Very low	152 Å²	152	134.7 Å²	134.7	75%	0.749	67%	0.671	S	S	*	*	H	α-helix	trans	-77.1	-30.6	171.1	-75.8	-166.2	178.1	0	0	113.9	S578 E579 E580	S578-M582 WeakPolarHBondContact O-CG 3.33Å; S578-M582 PolarHBondContact O-N 3.25Å; E579-M582 PolarHBondContact O-N 3.45Å; E580-M582 VanDerWaalsContact C-N 3.26Å; E580-M582 PolarHBondContact O-N 3.3Å
583	K	41.2	Very low	39.9	Very low	156 Å²	156	139.6 Å²	139.6	68%	0.678	69%	0.688	S	S	*	*	H	α-helix	trans	-76	-28	-179.3	-80.7	176.2	-179.3	167.8	0	114	E579 E580 N585	E579-K583 PolarHBondContact O-N 2.96Å; E580-K583 PolarHBondContact O-N 2.64Å; K583-N585 VanDerWaalsContact C-N 3.32Å; K583-N585 PolarHBondContact O-N 2.8Å
584	N	34.9	Very low	38.2	Very low	146 Å²	146	142.3 Å²	142.3	78%	0.781	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-1.8	-179.9	-83.5	-14.5	0	0	0	115.4	E580 K586	E580-N584 PolarHBondContact O-N 2.84Å; N584-K586 PolarHBondContact O-N 2.77Å
585	N	32.8	Very low	36.4	Very low	144 Å²	144	146 Å²	146	77%	0.77	71%	0.713	S	S	*	*			trans	-100.8	56.2	174	-84.2	-20	0	0	0	112.4	K583	K583-N585 VanDerWaalsContact C-N 3.32Å; K583-N585 PolarHBondContact O-N 2.8Å
586	K	29	Very low	34.9	Very low	183 Å²	183	146.6 Å²	146.6	80%	0.796	72%	0.723	S	S	*	*			trans	-135.6	80.9	165.8	-73.5	-172.1	-179.8	177.8	0	111.1	N584	N584-K586 PolarHBondContact O-N 2.77Å
587	K	27.3	Very low	33.6	Very low	207 Å²	207	152.2 Å²	152.2	90%	0.9	74%	0.743	S	S	*	*	S	Bend	trans	-161.8	147.5	147.8	-105.3	168.7	-169.5	-176.1	0	110.7
588	P	27.1	Very low	32.4	Very low	115 Å²	115	155 Å²	155	75%	0.747	75%	0.754	S	S	*	*			trans	-98.7	149	-147	36.2	-33.1	0	0	0	115.3
589	K	23.3	Very low	31.1	Very low	212 Å²	212	159.8 Å²	159.8	92%	0.922	77%	0.772	S	S	*	*			trans	17.4	109.1	145.4	-63.5	178	179.2	174.7	0	116.7
590	S	25	Very low	30.3	Very low	118 Å²	118	164 Å²	164	83%	0.825	79%	0.789	S	S	*	*			trans	-125.4	136.7	147.6	77	0	0	0	0	110.6
591	K	23.2	Very low	29.1	Very low	194 Å²	194	162.4 Å²	162.4	84%	0.843	79%	0.792	S	S	*	*			trans	-68.2	134.1	-177.4	-65.7	162.2	173.2	168.3	0	109.7
592	Y	24.7	Very low	28.3	Very low	231 Å²	231	169.9 Å²	169.9	91%	0.906	81%	0.809	S	S	*	*			trans	-145.4	111.6	142.5	-99.5	-78.1	0	0	0	110.8
593	K	23.2	Very low	27.8	Very low	193 Å²	193	174.1 Å²	174.1	84%	0.839	84%	0.835	S	S	*	*			trans	-79.7	143.8	163.2	-85.1	178.1	169.8	178.7	0	108.6
594	N	22.4	Very low	27.1	Very low	155 Å²	155	175 Å²	175	83%	0.829	84%	0.842	S	S	*	*			trans	28.4	121.5	148.8	-78.6	-8	0	0	0	119.2
595	K	24.6	Very low	26.7	Very low	191 Å²	191	176.5 Å²	176.5	83%	0.83	85%	0.846	S	S	*	*				-178.1	138.2	116.5	-101.8	171.4	-179.8	-178	0	113.4
596	N	26.1	Very low	26.4	Very low	136 Å²	136	178.3 Å²	178.3	73%	0.727	85%	0.85	S	S	*	*			trans	82.2	107.6	145.1	-64.5	-6.1	0	0	0	122.2
597	K	25	Very low	26.2	Very low	206 Å²	206	178.1 Å²	178.1	90%	0.896	85%	0.853	S	S	*	*				-4.6	120.3	123.4	-87.9	176	168.7	176	0	115.7
598	L	28	Very low	26.1	Very low	151 Å²	151	176.3 Å²	176.3	79%	0.791	85%	0.85	S	S	*	*			trans	-141.5	104.7	143.4	-107.3	108.6	0	0	0	105.6
599	M	24.2	Very low	26.1	Very low	157 Å²	157	180.3 Å²	180.3	77%	0.773	86%	0.857	S	S	*	*				45.2	95.9	93.5	-93.2	-78.8	-132.7	0	0	113.2
600	F	35.2	Very low	26.3	Very low	195 Å²	195	178.1 Å²	178.1	86%	0.855	85%	0.852	S	S	*	*			trans	-144.2	93.5	144.9	-95.5	-78.1	0	0	0	108.7
601	S	22.2	Very low	26.4	Very low	94 Å²	94	182.7 Å²	182.7	66%	0.657	85%	0.854	S	S	*	*			trans	-95.5	132.9	148.5	64.9	0	0	0	0	107.5
602	R	30.9	Very low	26.6	Very low	231 Å²	231	181.8 Å²	181.8	87%	0.872	86%	0.855	S	S	*	*			trans	-155.1	108.1	149.2	-108.1	177.1	-174.6	-179.4	1	108.2
603	N	33.3	Very low	26.8	Very low	241 Å²	241	177.3 Å²	177.3	100%	1.289	85%	0.851	S	S	*	*			trans	47.2	0	161.2	-62.4	-4	0	0	0	119

Retrieved 603 of 603 residues in 915.3 ms (Link to these results)

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