G4V9R1_SCHMA Loading...

Probable ATP-dependent RNA helicase DDX23

Involved in pre-mRNA splicing and its phosphorylated form (by SRPK2) is required for spliceosomal B complex formation. Independently of its spliceosome formation function, required for the suppression of incorrect R-loops formed during transcription; R-loops are composed of a DNA:RNA hybrid and the associated non-template single-stranded DNA.

AlphaFold DB , UniProt , Accession G4V9R1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 793 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.6	Very low	39	Very low	229 Å²	229	146.9 Å²	146.9	100%	1.128	85%	0.849	S	S	*	*				0	97.1	0	-56.6	172.7	-173.3	0	0	105.8
2	D	39	Very low	38.4	Very low	156 Å²	156	150.3 Å²	150.3	83%	0.834	85%	0.851	S	S	*	*			cis	-139.7	164.4	3.4	-76.9	-42.6	0	0	0	112.2
3	N	37.5	Very low	38.3	Very low	175 Å²	175	151.4 Å²	151.4	94%	0.936	85%	0.852	S	S	*	*			trans	-102.7	154.8	-178.5	-78.9	-15.8	0	0	0	111.9
4	G	45.3	Very low	37.9	Very low	82 Å²	82	152 Å²	152	85%	0.845	85%	0.852	S	S	*	*			trans	160.4	135.6	159.2	0	0	0	0	0	110
5	G	40.4	Very low	37.9	Very low	64 Å²	64	150.3 Å²	150.3	66%	0.66	85%	0.847	S	S	*	*			cis	165.1	121.2	-5.4	0	0	0	0	0	107
6	I	38	Very low	37.4	Very low	158 Å²	158	150.1 Å²	150.1	81%	0.81	84%	0.843	S	S	*	*				115.8	148.7	90.9	-84.8	167.3	0	0	0	109.4
7	N	39.9	Very low	37.2	Very low	138 Å²	138	151.6 Å²	151.6	74%	0.738	85%	0.847	S	S	*	*			trans	74.7	140.9	178.4	-59.7	-19.1	0	0	0	117.2
8	L	36.6	Very low	37	Very low	143 Å²	143	148.6 Å²	148.6	75%	0.749	84%	0.838	S	S	*	*			cis	149.7	117.9	-19.4	-103.4	171.1	0	0	0	104.5
9	E	41.4	Very low	37.1	Very low	199 Å²	199	148.4 Å²	148.4	93%	0.93	84%	0.835	S	S	*	*			trans	-169.8	154.9	133.7	-110.3	174.3	-172.2	0	0	110.5
10	E	34.9	Very low	37.2	Very low	195 Å²	195	149.6 Å²	149.6	91%	0.911	83%	0.833	S	S	*	*			trans	-97.1	162	-163.5	-61.3	172.7	142.7	0	0	112.6
11	G	37	Very low	37.2	Very low	77 Å²	77	150.6 Å²	150.6	79%	0.794	83%	0.831	S	S	*	*			trans	177.7	68.4	178.6	0	0	0	0	0	113.6
12	E	32.7	Very low	37.2	Very low	188 Å²	188	141.2 Å²	141.2	88%	0.879	79%	0.794	S	S	*	*			trans	-66.7	133.1	169.5	-70.6	179.5	138.2	0	0	111.2
13	L	36.3	Very low	37.2	Very low	164 Å²	164	137.9 Å²	137.9	86%	0.859	78%	0.781	S	S	*	*			trans	-151.3	98	156.2	-101.8	174.5	0	0	0	108.9
14	D	33.4	Very low	37.4	Very low	160 Å²	160	137.3 Å²	137.3	86%	0.856	77%	0.77	S	S	*	*			trans	-64	131.9	168.6	-78.3	-47.6	0	0	0	110.9
15	V	36.9	Very low	37.2	Very low	127 Å²	127	141 Å²	141	77%	0.77	76%	0.764	S	S	*	*			trans	-142.7	127.5	160.8	-174.2	0	0	0	0	109.6
16	D	31.4	Very low	37.4	Very low	147 Å²	147	145.3 Å²	145.3	79%	0.786	76%	0.764	S	S	*	*			trans	-64.7	127	-169.3	-61.8	-73.4	0	0	0	115.5
17	L	33.7	Very low	37.8	Very low	176 Å²	176	144 Å²	144	92%	0.921	75%	0.754	S	S	*	*			trans	-144.3	70.2	166.6	-78.6	174.2	0	0	0	110.8
18	S	32.4	Very low	38.2	Very low	96 Å²	96	142.5 Å²	142.5	67%	0.671	74%	0.743	S	S	*	*			trans	-148	25.4	-174.9	72.7	0	0	0	0	120
19	D	38.7	Very low	39	Very low	146 Å²	146	138.7 Å²	138.7	78%	0.781	73%	0.728	S	S	*	*	S	Bend	trans	-101.6	-33.5	-176.6	-81.2	-50.1	0	0	0	118
20	E	41	Very low	39.6	Very low	171 Å²	171	134.7 Å²	134.7	80%	0.799	71%	0.709	S	S	*	*	H	α-helix	trans	-86	-37.8	-171.7	-65.2	-149.3	144.3	0	0	115.4
21	E	36.9	Very low	40.7	Very low	171 Å²	171	129.4 Å²	129.4	80%	0.799	69%	0.686	S	S	*	*	H	α-helix	trans	-79.9	-33	-178.1	-61.6	-158.3	138.6	0	0	112.8	C23 F25	E21-C23 VanDerWaalsContact C-N 3.27Å; E21-C23 PolarHBondContact O-N 2.76Å; E21-F25 PolarHBondContact O-N 3.41Å
22	G	37.3	Very low	41.9	Very low	33 Å²	33	131.8 Å²	131.8	34%	0.34	68%	0.675	S	S	.	*	H	α-helix	trans	-63.9	-30.5	177.6	0	0	0	0	0	113.4	K26	G22-K26 WeakPolarHBondContact O-CB 3.47Å; G22-K26 VanDerWaalsContact O-CG 3.31Å; G22-K26 WeakPolarHBondContact O-CG 3.46Å; G22-K26 PolarHBondContact O-N 3.19Å; G22-K26 VanDerWaalsContact O-N 3.12Å
23	C	40.1	Very low	43.3	Very low	85 Å²	85	129.7 Å²	129.7	57%	0.574	66%	0.663	S	S	*	*	H	α-helix	trans	-73.6	-44.3	-177.8	-151.9	0	0	0	0	112	E21 F25 K26 H27	E21-C23 VanDerWaalsContact C-N 3.27Å; E21-C23 PolarHBondContact O-N 2.76Å; C23-F25 PolarHBondContact O-N 3.22Å; C23-K26 PolarHBondContact O-N 2.99Å; C23-H27 WeakPolarHBondContact O-CB 3.41Å; C23-H27 PolarHBondContact O-N 3.32Å
24	K	41.6	Very low	44.4	Very low	163 Å²	163	127.4 Å²	127.4	71%	0.709	65%	0.648	S	S	*	*	H	α-helix	trans	-62.8	-41.9	175.9	-74.6	173.6	-179.6	162.4	0	112.3	H27 E28	K24-H27 PolarHBondContact O-N 2.99Å; K24-E28 PolarHBondContact O-N 3.35Å
25	F	41.6	Very low	45.7	Very low	161 Å²	161	124.6 Å²	124.6	71%	0.706	63%	0.63	S	S	*	*	H	α-helix	trans	-69.5	-37.4	178.8	-113.8	-88.2	0	0	0	113.5	E21 C23 S29	E21-F25 PolarHBondContact O-N 3.41Å; C23-F25 PolarHBondContact O-N 3.22Å; F25-S29 WeakPolarHBondContact O-CB 3.29Å; F25-S29 PolarHBondContact O-N 3.15Å; F25-S29 VanDerWaalsContact O-N 3.16Å; F25-S29 PolarHBondContact O-OG 2.93Å
26	K	44.1	Very low	47.1	Very low	154 Å²	154	125.8 Å²	125.8	67%	0.67	63%	0.625	S	S	*	*	H	α-helix	trans	-66.5	-38.2	173	-75.6	173.3	-177	169.7	0	111.7	G22 C23 S29 H30	G22-K26 WeakPolarHBondContact O-CB 3.47Å; G22-K26 VanDerWaalsContact O-CG 3.31Å; G22-K26 WeakPolarHBondContact O-CG 3.46Å; G22-K26 PolarHBondContact O-N 3.19Å; G22-K26 VanDerWaalsContact O-N 3.12Å; C23-K26 PolarHBondContact O-N 2.99Å; K26-S29 PolarHBondContact O-OG 3.44Å; K26-S29 VanDerWaalsContact O-OG 3.09Å; K26-H30 PolarHBondContact O-N 2.72Å
27	H	46.2	Very low	48.7	Very low	130 Å²	130	124.3 Å²	124.3	60%	0.602	62%	0.616	S	S	*	*	H	α-helix	trans	-70.7	-46.1	-179.6	-143.2	-12.7	0	0	0	112.5	C23 K24 S29 H30 I31	C23-H27 WeakPolarHBondContact O-CB 3.41Å; C23-H27 PolarHBondContact O-N 3.32Å; K24-H27 PolarHBondContact O-N 2.99Å; H27-S29 PolarHBondContact O-N 3.44Å; H27-H30 PolarHBondContact O-N 2.78Å; H27-I31 WeakPolarHBondContact O-CD1 3.36Å; H27-I31 WeakPolarHBondContact O-CG1 3.4Å; H27-I31 PolarHBondContact O-N 2.88Å; H27-I31 VanDerWaalsContact O-N 3.11Å
28	E	49.1	Very low	50.2	Low	107 Å²	107	121.1 Å²	121.1	50%	0.5	60%	0.6	S	S	.	*	H	α-helix	trans	-62.5	-39.5	175.9	-82.6	-150.2	164.9	0	0	113.2	K24 H30 I31 K32	K24-E28 PolarHBondContact O-N 3.35Å; E28-H30 VanDerWaalsContact C-N 3.35Å; E28-I31 PolarHBondContact O-N 3.3Å; E28-K32 WeakPolarHBondContact O-CB 3.36Å; E28-K32 WeakPolarHBondContact O-CG 3.31Å; E28-K32 PolarHBondContact O-N 3.21Å; E28-K32 IonicContact OE2-NZ 3.09Å; E28-K32 PolarHBondContact OE2-NZ 2.95Å
29	S	51.3	Low	51.8	Low	63 Å²	63	122.1 Å²	122.1	44%	0.441	59%	0.592	S	S	.	*	H	α-helix	trans	-70.2	-31.7	-178.6	57.2	0	0	0	0	112.3	F25 K26 H27 K33	F25-S29 WeakPolarHBondContact O-CB 3.29Å; F25-S29 PolarHBondContact O-N 3.15Å; F25-S29 VanDerWaalsContact O-N 3.16Å; F25-S29 PolarHBondContact O-OG 2.93Å; K26-S29 PolarHBondContact O-OG 3.44Å; K26-S29 VanDerWaalsContact O-OG 3.09Å; H27-S29 PolarHBondContact O-N 3.44Å; S29-K33 PolarHBondContact O-N 3.03Å
30	H	54.7	Low	53.1	Low	115 Å²	115	119.9 Å²	119.9	53%	0.532	58%	0.577	S	S	.	*	H	α-helix	trans	-66.2	-50.2	169.2	-100.2	-99.7	0	0	0	112.4	K26 H27 E28 K32 K33 E34	K26-H30 PolarHBondContact O-N 2.72Å; H27-H30 PolarHBondContact O-N 2.78Å; E28-H30 VanDerWaalsContact C-N 3.35Å; H30-K32 VanDerWaalsContact C-N 3.3Å; H30-K32 PolarHBondContact O-N 2.84Å; H30-K33 WeakPolarHBondContact O-CA 3.4Å; H30-K33 WeakPolarHBondContact O-CB 3.29Å; H30-K33 PolarHBondContact O-N 3.28Å; H30-E34 PolarHBondContact O-N 3.24Å
31	I	59	Low	54.4	Low	83 Å²	83	114 Å²	114	43%	0.426	56%	0.558	S	S	.	*	H	α-helix	trans	-57.7	-43.6	179.3	-66	163.2	0	0	0	110.9	H27 E28 K33 E34 E35	H27-I31 WeakPolarHBondContact O-CD1 3.36Å; H27-I31 WeakPolarHBondContact O-CG1 3.4Å; H27-I31 PolarHBondContact O-N 2.88Å; H27-I31 VanDerWaalsContact O-N 3.11Å; E28-I31 PolarHBondContact O-N 3.3Å; I31-K33 VanDerWaalsContact C-N 3.26Å; I31-K33 PolarHBondContact O-N 3.45Å; I31-E34 PolarHBondContact O-N 3.5Å; I31-E35 PolarHBondContact O-N 2.68Å
32	K	60.6	Low	55.8	Low	128 Å²	128	112.2 Å²	112.2	56%	0.557	55%	0.549	S	S	*	.	H	α-helix	trans	-66	-24.2	175.9	-73.4	165	-178.7	162	0	113.3	E28 H30 K36	E28-K32 WeakPolarHBondContact O-CB 3.36Å; E28-K32 WeakPolarHBondContact O-CG 3.31Å; E28-K32 PolarHBondContact O-N 3.21Å; E28-K32 IonicContact OE2-NZ 3.09Å; E28-K32 PolarHBondContact OE2-NZ 2.95Å; H30-K32 VanDerWaalsContact C-N 3.3Å; H30-K32 PolarHBondContact O-N 2.84Å; K32-K36 WeakPolarHBondContact O-CB 3.48Å
33	K	63.1	Low	57.3	Low	144 Å²	144	114.6 Å²	114.6	63%	0.626	56%	0.557	S	S	*	*	H	α-helix	trans	-79.8	-44	175.4	-129.1	173.2	-176.7	175.8	0	111.4	S29 H30 I31 K36 L37	S29-K33 PolarHBondContact O-N 3.03Å; H30-K33 WeakPolarHBondContact O-CA 3.4Å; H30-K33 WeakPolarHBondContact O-CB 3.29Å; H30-K33 PolarHBondContact O-N 3.28Å; I31-K33 VanDerWaalsContact C-N 3.26Å; I31-K33 PolarHBondContact O-N 3.45Å; K33-K36 PolarHBondContact O-N 3.33Å; K33-L37 WeakPolarHBondContact O-CG 3.3Å; K33-L37 PolarHBondContact O-N 3.25Å
34	E	58.8	Low	58.7	Low	116 Å²	116	116.9 Å²	116.9	54%	0.542	56%	0.557	S	S	.	*	H	α-helix	trans	-64.3	-48.8	177	-70.6	-175.3	142.8	0	0	111.5	H30 I31 K36 L37 D38	H30-E34 PolarHBondContact O-N 3.24Å; I31-E34 PolarHBondContact O-N 3.5Å; E34-K36 PolarHBondContact O-N 3.37Å; E34-K36 VanDerWaalsContact O-N 3.08Å; E34-L37 PolarHBondContact O-N 3.21Å; E34-D38 PolarHBondContact O-N 3.36Å
35	E	61.4	Low	59.8	Low	101 Å²	101	116.9 Å²	116.9	47%	0.472	56%	0.557	S	S	.	*	H	α-helix	trans	-53.5	-36.1	174.6	-85.8	-155.2	173	0	0	112.9	I31 K39	I31-E35 PolarHBondContact O-N 2.68Å; E35-K39 WeakPolarHBondContact O-CB 3.33Å; E35-K39 VanDerWaalsContact O-CD 3.26Å; E35-K39 WeakPolarHBondContact O-CD 3.22Å; E35-K39 WeakPolarHBondContact O-CG 3.32Å; E35-K39 PolarHBondContact O-N 3.4Å; E35-K39 IonicContact OE2-NZ 2.65Å; E35-K39 PolarHBondContact OE2-NZ 3.29Å
36	K	65.7	Low	61.1	Low	152 Å²	152	115.7 Å²	115.7	66%	0.661	55%	0.554	S	S	*	*	H	α-helix	trans	-75.5	-37.8	-177.8	-157.2	176.7	-173.3	-178	0	111.3	K32 K33 E34 E40	K32-K36 WeakPolarHBondContact O-CB 3.48Å; K33-K36 PolarHBondContact O-N 3.33Å; E34-K36 PolarHBondContact O-N 3.37Å; E34-K36 VanDerWaalsContact O-N 3.08Å; K36-E40 PolarHBondContact O-N 2.97Å; K36-E40 VanDerWaalsContact O-N 3.09Å
37	L	65.8	Low	62.2	Low	115 Å²	115	115 Å²	115	60%	0.602	55%	0.551	S	S	*	*	H	α-helix	trans	-66.3	-42.3	173.5	-75.8	164.4	0	0	0	111.7	K33 E34 E40 A41	K33-L37 WeakPolarHBondContact O-CG 3.3Å; K33-L37 PolarHBondContact O-N 3.25Å; E34-L37 PolarHBondContact O-N 3.21Å; L37-E40 PolarHBondContact O-N 3.44Å; L37-A41 WeakPolarHBondContact O-CB 3.39Å; L37-A41 PolarHBondContact O-N 2.83Å
38	D	64.9	Low	63.2	Low	110 Å²	110	116.7 Å²	116.7	59%	0.588	56%	0.556	S	S	*	*	H	α-helix	trans	-66.1	-43	176.7	-82.9	-22.6	0	0	0	112.3	E34 E40 A41 E42	E34-D38 PolarHBondContact O-N 3.36Å; D38-E40 VanDerWaalsContact C-N 3.3Å; D38-E40 PolarHBondContact O-N 2.98Å; D38-A41 WeakPolarHBondContact O-CB 3.09Å; D38-A41 PolarHBondContact O-N 3.5Å; D38-A41 VanDerWaalsContact O-N 3.09Å; D38-E42 PolarHBondContact O-N 3.48Å
39	K	65.3	Low	64	Low	117 Å²	117	119.4 Å²	119.4	51%	0.509	57%	0.566	S	S	.	*	H	α-helix	trans	-60.6	-38	173.7	-74	162.7	-170.3	163	0	111.8	E35 V43	E35-K39 WeakPolarHBondContact O-CB 3.33Å; E35-K39 VanDerWaalsContact O-CD 3.26Å; E35-K39 WeakPolarHBondContact O-CD 3.22Å; E35-K39 WeakPolarHBondContact O-CG 3.32Å; E35-K39 PolarHBondContact O-N 3.4Å; E35-K39 IonicContact OE2-NZ 2.65Å; E35-K39 PolarHBondContact OE2-NZ 3.29Å; K39-V43 VanDerWaalsContact O-CG2 3.28Å; K39-V43 WeakPolarHBondContact O-CG2 3.41Å; K39-V43 PolarHBondContact O-N 3.27Å; K39-V43 VanDerWaalsContact O-N 3.16Å
40	E	67.6	Low	64.6	Low	99 Å²	99	121 Å²	121	46%	0.463	57%	0.567	S	S	.	*	H	α-helix	trans	-68.3	-38.2	171.7	-83.6	-157.4	-162.5	0	0	113.5	K36 L37 D38 V43 K44	K36-E40 PolarHBondContact O-N 2.97Å; K36-E40 VanDerWaalsContact O-N 3.09Å; L37-E40 PolarHBondContact O-N 3.44Å; D38-E40 VanDerWaalsContact C-N 3.3Å; D38-E40 PolarHBondContact O-N 2.98Å; E40-V43 PolarHBondContact O-N 3.24Å; E40-K44 WeakPolarHBondContact O-CB 3.39Å; E40-K44 WeakPolarHBondContact O-CG 3.26Å; E40-K44 PolarHBondContact O-N 3.37Å; E40-K44 IonicContact OE2-NZ 3.53Å; E40-K44 PolarHBondContact OE2-NZ 3.16Å
41	A	67.2	Low	65.2	Low	48 Å²	48	123.1 Å²	123.1	40%	0.397	57%	0.574	S	S	.	*	H	α-helix	trans	-66	-42.2	178.2	0	0	0	0	0	111.6	L37 D38 K44 K45	L37-A41 WeakPolarHBondContact O-CB 3.39Å; L37-A41 PolarHBondContact O-N 2.83Å; D38-A41 WeakPolarHBondContact O-CB 3.09Å; D38-A41 PolarHBondContact O-N 3.5Å; D38-A41 VanDerWaalsContact O-N 3.09Å; A41-K44 PolarHBondContact O-N 3.4Å; A41-K45 WeakPolarHBondContact O-CB 3.32Å; A41-K45 PolarHBondContact O-N 2.94Å
42	E	65.5	Low	65.3	Low	133 Å²	133	128 Å²	128	62%	0.621	59%	0.588	S	S	*	*	H	α-helix	trans	-59.4	-50	171.8	-78.8	-140.3	113.7	0	0	112	D38 K44 K45 H46	D38-E42 PolarHBondContact O-N 3.48Å; E42-K44 VanDerWaalsContact C-N 3.29Å; E42-K44 PolarHBondContact O-N 3.03Å; E42-K45 CarbonylContact O-C 3.59Å; E42-K45 WeakPolarHBondContact O-CA 3.43Å; E42-K45 WeakPolarHBondContact O-CB 3.47Å; E42-K45 PolarHBondContact O-N 3.23Å; E42-K45 VanDerWaalsContact O-N 3.09Å; E42-H46 PolarHBondContact O-N 3.45Å
43	V	69.2	Low	65.4	Low	83 Å²	83	124.1 Å²	124.1	50%	0.503	58%	0.58	S	S	.	*	H	α-helix	trans	-61.4	-38.3	179.4	170.3	0	0	0	0	111.3	K39 E40 K47	K39-V43 VanDerWaalsContact O-CG2 3.28Å; K39-V43 WeakPolarHBondContact O-CG2 3.41Å; K39-V43 PolarHBondContact O-N 3.27Å; K39-V43 VanDerWaalsContact O-N 3.16Å; E40-V43 PolarHBondContact O-N 3.24Å; V43-K47 PolarHBondContact O-N 3.46Å
44	K	69.5	Low	65.5	Low	132 Å²	132	123.4 Å²	123.4	57%	0.574	58%	0.576	S	S	*	*	H	α-helix	trans	-66.7	-42.2	172.9	-74.2	165.6	-171.2	156	0	111.5	E40 A41 E42 K48	E40-K44 WeakPolarHBondContact O-CB 3.39Å; E40-K44 WeakPolarHBondContact O-CG 3.26Å; E40-K44 PolarHBondContact O-N 3.37Å; E40-K44 IonicContact OE2-NZ 3.53Å; E40-K44 PolarHBondContact OE2-NZ 3.16Å; A41-K44 PolarHBondContact O-N 3.4Å; E42-K44 VanDerWaalsContact C-N 3.29Å; E42-K44 PolarHBondContact O-N 3.03Å; K44-K48 WeakPolarHBondContact O-CB 3.4Å; K44-K48 PolarHBondContact O-N 3.14Å; K44-K48 VanDerWaalsContact O-N 3.11Å
45	K	65.4	Low	65.5	Low	164 Å²	164	127.3 Å²	127.3	71%	0.713	59%	0.586	S	S	*	*	H	α-helix	trans	-57.9	-47.9	172.4	-99.5	175.5	175.9	171.9	0	111.4	A41 E42 K48 K49	A41-K45 WeakPolarHBondContact O-CB 3.32Å; A41-K45 PolarHBondContact O-N 2.94Å; E42-K45 CarbonylContact O-C 3.59Å; E42-K45 WeakPolarHBondContact O-CA 3.43Å; E42-K45 WeakPolarHBondContact O-CB 3.47Å; E42-K45 PolarHBondContact O-N 3.23Å; E42-K45 VanDerWaalsContact O-N 3.09Å; K45-K48 PolarHBondContact O-N 2.94Å; K45-K48 VanDerWaalsContact O-N 3.16Å; K45-K49 PolarHBondContact O-N 3.29Å
46	H	68.4	Low	65.3	Low	136 Å²	136	128.1 Å²	128.1	63%	0.63	59%	0.59	S	S	*	*	H	α-helix	trans	-63.8	-48.1	-178	-124.4	-81.4	0	0	0	112	E42 K48 K49 E50	E42-H46 PolarHBondContact O-N 3.45Å; H46-K48 PolarHBondContact O-N 2.87Å; H46-K49 PolarHBondContact O-N 3.01Å; H46-E50 WeakPolarHBondContact O-CB 3.41Å; H46-E50 PolarHBondContact O-N 2.79Å
47	K	67.3	Low	64.8	Low	139 Å²	139	128.7 Å²	128.7	60%	0.604	59%	0.592	S	S	*	*	H	α-helix	trans	-58.8	-32.1	173.6	-81.6	179.7	174.2	173.8	0	112.7	V43 K51	V43-K47 PolarHBondContact O-N 3.46Å; K47-K51 PolarHBondContact O-N 3.22Å; K47-K51 VanDerWaalsContact O-N 3.11Å
48	K	67.4	Low	64.2	Low	166 Å²	166	131.2 Å²	131.2	72%	0.722	60%	0.598	S	S	*	*	H	α-helix	trans	-74.5	-44	176.8	-136.4	172.8	-173.5	177.3	0	112.1	K44 K45 H46 E50 K51 R52	K44-K48 WeakPolarHBondContact O-CB 3.4Å; K44-K48 PolarHBondContact O-N 3.14Å; K44-K48 VanDerWaalsContact O-N 3.11Å; K45-K48 PolarHBondContact O-N 2.94Å; K45-K48 VanDerWaalsContact O-N 3.16Å; H46-K48 PolarHBondContact O-N 2.87Å; K48-E50 VanDerWaalsContact C-N 3.33Å; K48-E50 PolarHBondContact O-N 3.14Å; K48-K51 PolarHBondContact O-N 3.25Å; K48-R52 PolarHBondContact O-N 2.87Å
49	K	65.6	Low	63.6	Low	163 Å²	163	133 Å²	133	71%	0.709	60%	0.603	S	S	*	*	H	α-helix	trans	-56.9	-45.8	171.2	-98.4	-174.6	174.6	-180	0	110.8	K45 H46 R52 A53	K45-K49 PolarHBondContact O-N 3.29Å; H46-K49 PolarHBondContact O-N 3.01Å; K49-R52 WeakPolarHBondContact O-CB 3.42Å; K49-R52 PolarHBondContact O-N 2.92Å; K49-R52 VanDerWaalsContact O-N 3.14Å; K49-A53 PolarHBondContact O-N 3.26Å
50	E	64.6	Low	62.8	Low	98 Å²	98	135.7 Å²	135.7	46%	0.458	62%	0.615	S	S	.	*	H	α-helix	trans	-66.3	-41.3	-178.5	-151	-155.7	141.3	0	0	113	H46 K48 R52 A53 K54	H46-E50 WeakPolarHBondContact O-CB 3.41Å; H46-E50 PolarHBondContact O-N 2.79Å; K48-E50 VanDerWaalsContact C-N 3.33Å; K48-E50 PolarHBondContact O-N 3.14Å; E50-R52 VanDerWaalsContact C-N 3.3Å; E50-R52 PolarHBondContact O-N 3.42Å; E50-A53 PolarHBondContact O-N 3.13Å; E50-K54 WeakPolarHBondContact O-CB 3.2Å; E50-K54 WeakPolarHBondContact O-CG 3.26Å; E50-K54 PolarHBondContact O-N 3.21Å; E50-K54 VanDerWaalsContact OE1-CE 3.32Å; E50-K54 WeakPolarHBondContact OE1-CE 3.42Å; E50-K54 IonicContact OE1-NZ 3.25Å; E50-K54 PolarHBondContact OE1-NZ 3.13Å
51	K	67	Low	61.7	Low	158 Å²	158	139.7 Å²	139.7	69%	0.687	63%	0.631	S	S	*	*	H	α-helix	trans	-63	-33.8	171.4	-80.3	-174.4	176.2	-177.4	0	112.5	K47 K48 R55	K47-K51 PolarHBondContact O-N 3.22Å; K47-K51 VanDerWaalsContact O-N 3.11Å; K48-K51 PolarHBondContact O-N 3.25Å; K51-R55 PolarHBondContact O-N 3.01Å; K51-R55 VanDerWaalsContact O-N 3.11Å
52	R	60.9	Low	60.7	Low	186 Å²	186	146.3 Å²	146.3	70%	0.702	65%	0.65	S	S	*	*	H	α-helix	trans	-69.4	-48.1	176.6	-147.2	174.7	-172.9	179.1	0.4	111.1	K48 K49 E50 K54 R55 E56	K48-R52 PolarHBondContact O-N 2.87Å; K49-R52 WeakPolarHBondContact O-CB 3.42Å; K49-R52 PolarHBondContact O-N 2.92Å; K49-R52 VanDerWaalsContact O-N 3.14Å; E50-R52 VanDerWaalsContact C-N 3.3Å; E50-R52 PolarHBondContact O-N 3.42Å; R52-K54 VanDerWaalsContact C-N 3.33Å; R52-K54 PolarHBondContact O-N 2.89Å; R52-R55 WeakPolarHBondContact O-CB 3.48Å; R52-R55 PolarHBondContact O-N 3Å; R52-E56 PolarHBondContact O-N 3.29Å
53	A	63	Low	59.5	Low	47 Å²	47	149.3 Å²	149.3	39%	0.388	66%	0.661	S	S	.	*	H	α-helix	trans	-60.7	-37.3	174.7	0	0	0	0	0	113.1	K49 E50 E56 K57	K49-A53 PolarHBondContact O-N 3.26Å; E50-A53 PolarHBondContact O-N 3.13Å; A53-E56 PolarHBondContact O-N 3.14Å; A53-K57 WeakPolarHBondContact O-CB 3.47Å; A53-K57 PolarHBondContact O-N 2.77Å
54	K	64.6	Low	58	Low	129 Å²	129	154.4 Å²	154.4	56%	0.561	68%	0.677	S	S	*	*	H	α-helix	trans	-67.5	-31.6	173	-79.3	170.6	170.1	166.9	0	112.9	E50 R52 K58	E50-K54 WeakPolarHBondContact O-CB 3.2Å; E50-K54 WeakPolarHBondContact O-CG 3.26Å; E50-K54 PolarHBondContact O-N 3.21Å; E50-K54 VanDerWaalsContact OE1-CE 3.32Å; E50-K54 WeakPolarHBondContact OE1-CE 3.42Å; E50-K54 IonicContact OE1-NZ 3.25Å; E50-K54 PolarHBondContact OE1-NZ 3.13Å; R52-K54 VanDerWaalsContact C-N 3.33Å; R52-K54 PolarHBondContact O-N 2.89Å; K54-K58 PolarHBondContact O-N 3.28Å
55	R	58.9	Low	56.3	Low	198 Å²	198	158.8 Å²	158.8	75%	0.747	69%	0.69	S	S	*	*	H	α-helix	trans	-72.4	-41.8	171.6	-82.4	-176.4	166.3	-173.5	-4.8	112.4	K51 R52 K58 H59	K51-R55 PolarHBondContact O-N 3.01Å; K51-R55 VanDerWaalsContact O-N 3.11Å; R52-R55 WeakPolarHBondContact O-CB 3.48Å; R52-R55 PolarHBondContact O-N 3Å; R55-K58 PolarHBondContact O-N 3.16Å; R55-H59 PolarHBondContact O-N 3.03Å
56	E	58	Low	55	Low	118 Å²	118	160 Å²	160	55%	0.551	70%	0.697	S	S	*	*	H	α-helix	trans	-67.2	-39.8	177.3	-74.4	172.9	174.3	0	0	112.9	R52 A53 K58 H59 K60	R52-E56 PolarHBondContact O-N 3.29Å; A53-E56 PolarHBondContact O-N 3.14Å; E56-K58 VanDerWaalsContact C-N 3.27Å; E56-K58 PolarHBondContact O-N 2.71Å; E56-H59 PolarHBondContact O-N 3.05Å; E56-H59 VanDerWaalsContact O-N 3.14Å; E56-K60 PolarHBondContact O-N 3.26Å
57	K	55.7	Low	53.2	Low	163 Å²	163	165.2 Å²	165.2	71%	0.709	71%	0.712	S	S	*	*	H	α-helix	trans	-62.4	-32.3	171.6	-77	-176.8	175.4	-179.5	0	112.4	A53 K61	A53-K57 WeakPolarHBondContact O-CB 3.47Å; A53-K57 PolarHBondContact O-N 2.77Å; K57-K61 PolarHBondContact O-N 3.38Å
58	K	53.3	Low	51.6	Low	168 Å²	168	167.6 Å²	167.6	73%	0.73	72%	0.724	S	S	*	*	H	α-helix	trans	-69.8	-38.2	170.8	-80.9	-171.4	173.5	-172.3	0	112.8	K54 R55 E56 K61 K62	K54-K58 PolarHBondContact O-N 3.28Å; R55-K58 PolarHBondContact O-N 3.16Å; E56-K58 VanDerWaalsContact C-N 3.27Å; E56-K58 PolarHBondContact O-N 2.71Å; K58-K61 PolarHBondContact O-N 2.69Å; K58-K62 PolarHBondContact O-N 2.94Å
59	H	51.2	Low	50.1	Low	148 Å²	148	168.6 Å²	168.6	69%	0.685	73%	0.732	S	S	*	*	H	α-helix	trans	-69.5	-41.3	174.9	-99.8	-78.5	0	0	0	113.3	R55 E56 K61 K62	R55-H59 PolarHBondContact O-N 3.03Å; E56-H59 PolarHBondContact O-N 3.05Å; E56-H59 VanDerWaalsContact O-N 3.14Å; H59-K61 VanDerWaalsContact C-N 3.3Å; H59-K61 PolarHBondContact O-N 2.79Å; H59-K62 PolarHBondContact O-N 3.39Å
60	K	49	Very low	48.6	Very low	173 Å²	173	168.3 Å²	168.3	75%	0.752	74%	0.738	S	S	*	*	H	α-helix	trans	-65.7	-28.1	174.6	-83.2	-176.7	173.2	177.3	0	113	E56	E56-K60 PolarHBondContact O-N 3.26Å
61	K	44.3	Very low	47.3	Very low	184 Å²	184	173.4 Å²	173.4	80%	0.8	76%	0.759	S	S	*	*	H	α-helix	trans	-72.9	-23.7	172.6	-105.1	-174.3	173.5	-174	0	114.4	K57 K58 H59	K57-K61 PolarHBondContact O-N 3.38Å; K58-K61 PolarHBondContact O-N 2.69Å; H59-K61 VanDerWaalsContact C-N 3.3Å; H59-K61 PolarHBondContact O-N 2.79Å
62	K	45.1	Very low	45.7	Very low	186 Å²	186	169 Å²	169	81%	0.809	76%	0.759	S	S	*	*	H	α-helix	trans	-81.8	-18.8	175.6	-91.5	-168.3	171.5	-170	0	114.5	K58 H59	K58-K62 PolarHBondContact O-N 2.94Å; H59-K62 PolarHBondContact O-N 3.39Å
63	K	41.5	Very low	44.6	Very low	197 Å²	197	170 Å²	170	86%	0.857	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	5.2	179.5	-88.4	-168.8	171.5	-171.6	0	115.6
64	K	37.7	Very low	43.1	Very low	190 Å²	190	173.8 Å²	173.8	83%	0.826	79%	0.79	S	S	*	*	S	Bend	trans	-113.8	44.5	-179	-81.1	-162.9	167.9	-163.3	0	113.5
65	R	33.5	Very low	41.8	Very low	223 Å²	223	173 Å²	173	84%	0.842	80%	0.801	S	S	*	*			trans	-130.8	12.7	-175	-110.4	-173.5	175	-162.3	-4.3	116.9
66	H	38	Very low	41	Very low	189 Å²	189	168.5 Å²	168.5	88%	0.875	80%	0.797	S	S	*	*	S	Bend	trans	-134	150.9	168.6	-73.3	-79.1	0	0	0	110.7
67	R	29.7	Very low	39.9	Very low	247 Å²	247	169.5 Å²	169.5	93%	0.932	81%	0.806	S	S	*	*			trans	69.8	94.6	-171.3	-77.3	-177.8	164	172.2	-5.3	116.3
68	H	34.6	Very low	38.9	Very low	188 Å²	188	167.3 Å²	167.3	87%	0.87	80%	0.802	S	S	*	*			trans	-123.5	167.8	143.8	-116.1	-89.6	0	0	0	107.6
69	E	35.4	Very low	38.1	Very low	187 Å²	187	165.1 Å²	165.1	87%	0.874	80%	0.799	S	S	*	*			trans	76	116	-175.6	-51.7	-178.8	166.7	0	0	113.2
70	N	35.1	Very low	37.5	Very low	158 Å²	158	165 Å²	165	85%	0.845	80%	0.803	S	S	*	*			cis	-145.1	173.3	39.5	-139	-23.9	0	0	0	114.7
71	K	36.7	Very low	36.9	Very low	204 Å²	204	162.2 Å²	162.2	89%	0.887	80%	0.8	S	S	*	*			trans	-87.9	166.9	-174.5	-59.4	160.2	-180	169.4	0	111.9
72	G	34.3	Very low	36.5	Very low	67 Å²	67	160.4 Å²	160.4	69%	0.691	80%	0.799	S	S	*	*			cis	165.8	-175.4	-1.1	0	0	0	0	0	112.5
73	K	37	Very low	36	Very low	207 Å²	207	160.1 Å²	160.1	90%	0.9	80%	0.8	S	S	*	*			trans	80.2	117.9	-179.2	-55.9	179.8	177.7	-178.6	0	115.1
74	C	31.2	Very low	35.7	Very low	125 Å²	125	155.9 Å²	155.9	85%	0.845	79%	0.793	S	S	*	*				75.6	134.2	59.6	-63.1	0	0	0	0	112.6
75	S	36.7	Very low	35.5	Very low	114 Å²	114	152 Å²	152	80%	0.797	79%	0.79	S	S	*	*			cis	-158.4	178.4	8.3	-104.9	0	0	0	0	112
76	P	42.2	Very low	35.5	Very low	103 Å²	103	147.1 Å²	147.1	67%	0.669	78%	0.784	S	S	*	*			trans	-114.1	-168.5	-155.9	43.7	-36.6	0	0	0	117.2
77	N	35.5	Very low	35.1	Very low	138 Å²	138	144.4 Å²	144.4	74%	0.738	78%	0.776	S	S	*	*			trans	86.6	144.9	168.3	-57.8	2.9	0	0	0	115.6
78	N	35.6	Very low	35.1	Very low	117 Å²	117	140.4 Å²	140.4	63%	0.626	77%	0.768	S	S	*	*			cis	-161.5	166.2	-7.5	-122.4	29.3	0	0	0	111.9
79	D	36.5	Very low	34.8	Very low	123 Å²	123	136.9 Å²	136.9	66%	0.658	76%	0.76	S	S	*	*			trans	68.3	127.4	145.1	-54	-22.4	0	0	0	124.4
80	D	37.3	Very low	34.5	Very low	144 Å²	144	136.5 Å²	136.5	77%	0.77	76%	0.756	S	S	*	*			trans	97.2	106.9	133.5	-71.6	-11.5	0	0	0	125.8
81	V	36.5	Very low	34.4	Very low	115 Å²	115	135.1 Å²	135.1	70%	0.697	75%	0.747	S	S	*	*				75.9	95.2	122.1	-177.8	0	0	0	0	119.8
82	L	35.4	Very low	34.1	Very low	147 Å²	147	132.6 Å²	132.6	77%	0.77	74%	0.739	S	S	*	*				45.2	107.7	114.1	-97.5	158.1	0	0	0	119.6
83	Q	36	Very low	34	Very low	180 Å²	180	137.2 Å²	137.2	84%	0.841	75%	0.748	S	S	*	*				178	165.4	97.9	-93.6	-170.1	26.4	0	0	112.9
84	P	35.3	Very low	34	Very low	107 Å²	107	131.9 Å²	131.9	70%	0.695	73%	0.734	S	S	*	*			trans	-114.6	175.3	-160.2	42.1	-34.3	0	0	0	116.1
85	S	32	Very low	33.9	Very low	109 Å²	109	130.1 Å²	130.1	76%	0.762	74%	0.737	S	S	*	*			trans	121.4	150.7	140.2	75.6	0	0	0	0	118.5
86	V	33.5	Very low	33.9	Very low	120 Å²	120	129.6 Å²	129.6	73%	0.727	73%	0.734	S	S	*	*			trans	81.8	101.1	162.9	-169.1	0	0	0	0	119.4
87	N	29.8	Very low	33.9	Very low	133 Å²	133	129.3 Å²	129.3	71%	0.711	73%	0.731	S	S	*	*			trans	57.8	155.3	133.7	-66	4.2	0	0	0	125.6
88	E	30.8	Very low	33.8	Very low	163 Å²	163	131.8 Å²	131.8	76%	0.762	74%	0.736	S	S	*	*			trans	74	97.8	157.7	-76.1	152	-131.2	0	0	117.7
89	T	27.7	Very low	33.6	Very low	114 Å²	114	135.2 Å²	135.2	70%	0.699	75%	0.745	S	S	*	*				58.5	114.3	78	53.3	0	0	0	0	117.2
90	K	30.3	Very low	33.5	Very low	179 Å²	179	137.8 Å²	137.8	78%	0.778	75%	0.753	S	S	*	*			trans	67.4	165.7	157.1	-54	172.7	-179.1	-174.7	0	114.2
91	L	31.1	Very low	33.2	Very low	128 Å²	128	139.2 Å²	139.2	67%	0.67	76%	0.759	S	S	*	*			cis	-118.9	150.6	-1.4	-94.4	92.3	0	0	0	108.7
92	E	32.3	Very low	33	Very low	152 Å²	152	136.9 Å²	136.9	71%	0.71	76%	0.758	S	S	*	*				44.2	130	94.6	-41.8	173.5	-162.5	0	0	114.9
93	D	31.3	Very low	33	Very low	164 Å²	164	137.7 Å²	137.7	88%	0.877	76%	0.763	S	S	*	*			trans	-146	121	133.6	-149.3	8.4	0	0	0	110.8
94	P	37.7	Very low	33	Very low	95 Å²	95	136.7 Å²	136.7	62%	0.617	76%	0.762	S	S	*	*			trans	-99.4	146.9	179.6	36	-32.4	0	0	0	113.5	S96	P94-S96 PolarHBondContact O-N 3.28Å
95	G	28.9	Very low	33.2	Very low	88 Å²	88	136.8 Å²	136.8	91%	0.907	76%	0.762	S	S	*	*			trans	-84.5	100.3	171.1	0	0	0	0	0	113.2
96	S	35.8	Very low	33.3	Very low	103 Å²	103	137.2 Å²	137.2	72%	0.72	76%	0.764	S	S	*	*			trans	-100.8	-168.3	164.1	69.4	0	0	0	0	109.4	P94	P94-S96 PolarHBondContact O-N 3.28Å
97	P	41.6	Very low	33.9	Very low	96 Å²	96	138.4 Å²	138.4	62%	0.623	77%	0.771	S	S	*	*			cis	-137.3	178.2	-48.9	32.2	-13.1	0	0	0	115.1
98	K	33.6	Very low	34.9	Very low	190 Å²	190	137.2 Å²	137.2	83%	0.826	77%	0.771	S	S	*	*			trans	77.3	151.4	141.4	-83.8	163.5	-175.5	177.1	0	122.8
99	K	32.8	Very low	35.4	Very low	189 Å²	189	139.7 Å²	139.7	82%	0.822	78%	0.779	S	S	*	*			trans	84.5	123.2	164.9	-72.8	-176.9	-178.8	-170.1	0	116.1
100	E	33.7	Very low	36.4	Very low	177 Å²	177	145.9 Å²	145.9	83%	0.827	79%	0.79	S	S	*	*				52.9	104	51.1	-63.6	-176.5	163.9	0	0	111.3
101	I	32.2	Very low	37.8	Very low	174 Å²	174	143.5 Å²	143.5	89%	0.892	79%	0.79	S	S	*	*			cis	-136	175.1	29.4	-71.8	152.1	0	0	0	108.3
102	G	31.5	Very low	39	Very low	66 Å²	66	143.4 Å²	143.4	68%	0.68	80%	0.797	S	S	*	*			trans	-64.2	172.6	-166.7	0	0	0	0	0	119.1
103	D	34.2	Very low	40.3	Very low	165 Å²	165	141.6 Å²	141.6	88%	0.882	79%	0.791	S	S	*	*			trans	76	161	173.9	-57.4	-23.2	0	0	0	119.4
104	I	35.9	Very low	42	Very low	159 Å²	159	137.2 Å²	137.2	82%	0.815	77%	0.773	S	S	*	*			trans	-140.3	152.2	-138.3	-71.3	162.2	0	0	0	110
105	P	39.9	Very low	43.5	Very low	108 Å²	108	139.2 Å²	139.2	70%	0.701	78%	0.778	S	S	*	*			cis	-134.8	-161.2	12.5	31.3	-6.2	0	0	0	116.1
106	C	35	Very low	45.8	Very low	118 Å²	118	142.4 Å²	142.4	80%	0.797	77%	0.769	S	S	*	*			trans	83.5	129.8	152.3	-70.6	0	0	0	0	120.9
107	V	45.1	Very low	47.6	Very low	145 Å²	145	142.7 Å²	142.7	88%	0.879	76%	0.759	S	S	*	*			trans	-121.9	127.6	-175	177.6	0	0	0	0	112.6
108	P	50.5	Low	49.1	Very low	109 Å²	109	143.4 Å²	143.4	71%	0.708	76%	0.757	S	S	*	*			trans	-100.6	154.2	165.2	35.9	-29.9	0	0	0	113.2
109	K	42.1	Very low	51.3	Low	214 Å²	214	138.6 Å²	138.6	93%	0.93	74%	0.739	S	S	*	*			trans	-71.9	145.1	-174.7	-62.2	173	-179.8	175.1	0	112.7
110	R	48.8	Very low	53.5	Low	245 Å²	245	135.6 Å²	135.6	93%	0.925	73%	0.732	S	S	*	*			trans	-116.5	149	172.8	-70.2	-172.8	178	-169.6	-0.9	112.2
111	V	59.5	Low	55.7	Low	128 Å²	128	133.6 Å²	133.6	78%	0.776	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-91.1	146.6	-176.5	-175	0	0	0	0	109.7
112	P	56.6	Low	58	Low	127 Å²	127	132 Å²	132	83%	0.825	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-61.7	145.8	178.4	23.1	-34.7	0	0	0	113.9
113	I	59.9	Low	60.4	Low	114 Å²	114	135.4 Å²	135.4	59%	0.585	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-87.3	151.3	-178.2	-69.3	162	0	0	0	110.3	E117	I113-E117 HydrophobicContact CG2-CB 3.9Å; I113-E117 HydrophobicContact CG2-CG 4.25Å; I113-E117 WeakPolarHBondContact CG2-OE2 3.44Å
114	S	67.5	Low	62.5	Low	71 Å²	71	130.2 Å²	130.2	50%	0.497	68%	0.683	S	S	.	*	P	Polyproline II helix	trans	-71.9	157.5	-179	75.5	0	0	0	0	113.2	E116 E117	S114-E116 PolarHBondContact O-N 3.12Å; S114-E117 PolarHBondContact O-N 3.2Å
115	L	69.2	Low	64.6	Low	137 Å²	137	128.6 Å²	128.6	72%	0.717	67%	0.672	S	S	*	*	H	α-helix	trans	-66.7	-22.5	-167.5	-148.1	143.2	0	0	0	113.8	I119	L115-I119 HydrophobicContact CD2-CD1 4.13Å
116	E	75.8	Confident	66.4	Low	156 Å²	156	129 Å²	129	73%	0.729	67%	0.665	S	S	*	*	H	α-helix	trans	-72.2	-37.6	-177.7	-62.2	-176.2	154.2	0	0	113	S114 L118 I119	S114-E116 PolarHBondContact O-N 3.12Å; E116-L118 VanDerWaalsContact C-N 3.32Å; E116-L118 PolarHBondContact O-N 3.28Å; E116-I119 PolarHBondContact O-N 2.66Å
117	E	74.6	Confident	68.4	Low	108 Å²	108	125.8 Å²	125.8	51%	0.505	65%	0.647	S	S	.	*	H	α-helix	trans	-68.2	-30	-179.1	-68.6	-168.3	176.5	0	0	113	I113 S114 K121	I113-E117 HydrophobicContact CG2-CB 3.9Å; I113-E117 HydrophobicContact CG2-CG 4.25Å; I113-E117 WeakPolarHBondContact CG2-OE2 3.44Å; S114-E117 PolarHBondContact O-N 3.2Å; E117-K121 PolarHBondContact O-N 3.21Å
118	L	72	Confident	69.7	Low	111 Å²	111	125.8 Å²	125.8	58%	0.581	64%	0.637	S	S	*	*	H	α-helix	trans	-69.1	-36.8	178.2	-81.6	172.2	0	0	0	112.6	E116 L120 K121 K122	E116-L118 VanDerWaalsContact C-N 3.32Å; E116-L118 PolarHBondContact O-N 3.28Å; L118-L120 VanDerWaalsContact C-N 3.33Å; L118-K121 PolarHBondContact O-N 2.96Å; L118-K122 PolarHBondContact O-N 2.98Å; L118-K122 VanDerWaalsContact O-N 3.16Å
119	I	80.3	Confident	70.7	Confident	89 Å²	89	127.7 Å²	127.7	46%	0.456	64%	0.64	S	S	.	*	H	α-helix	trans	-67.1	-38.1	-179.8	-64.1	170.5	0	0	0	110.4	L115 E116 K123	L115-I119 HydrophobicContact CD2-CD1 4.13Å; E116-I119 PolarHBondContact O-N 2.66Å; I119-K123 HydrophobicContact CG2-CD 4.43Å; I119-K123 WeakPolarHBondContact O-CG 3.11Å; I119-K123 PolarHBondContact O-N 3.33Å
120	L	79	Confident	72.4	Confident	127 Å²	127	124 Å²	124	67%	0.665	63%	0.629	S	S	*	*	H	α-helix	trans	-65.5	-41.5	176.3	-75.7	167.4	0	0	0	112.3	L118 K123 A124	L118-L120 VanDerWaalsContact C-N 3.33Å; L120-K123 PolarHBondContact O-N 2.92Å; L120-A124 PolarHBondContact O-N 2.73Å; L120-A124 VanDerWaalsContact O-N 3.13Å
121	K	79.6	Confident	73.8	Confident	135 Å²	135	119.3 Å²	119.3	59%	0.587	62%	0.616	S	S	*	*	H	α-helix	trans	-63.1	-46.9	176.2	-79.7	-178	177.5	170.1	0	112.9	E117 L118 K123 A124 E125	E117-K121 PolarHBondContact O-N 3.21Å; L118-K121 PolarHBondContact O-N 2.96Å; K121-K123 VanDerWaalsContact C-N 3.34Å; K121-K123 PolarHBondContact O-N 3.37Å; K121-A124 WeakPolarHBondContact O-CB 3.41Å; K121-A124 PolarHBondContact O-N 3.19Å; K121-A124 VanDerWaalsContact O-N 3.12Å; K121-E125 PolarHBondContact O-N 2.69Å
122	K	81.9	Confident	74.6	Confident	141 Å²	141	119.3 Å²	119.3	61%	0.613	62%	0.618	S	S	*	*	H	α-helix	trans	-59.3	-43.1	177.2	-84.2	-167.6	170.8	-174.3	0	112.6	L118 A124 E125 E126	L118-K122 PolarHBondContact O-N 2.98Å; L118-K122 VanDerWaalsContact O-N 3.16Å; K122-A124 VanDerWaalsContact C-N 3.28Å; K122-A124 PolarHBondContact O-N 3.45Å; K122-E125 PolarHBondContact O-N 3.43Å; K122-E126 WeakPolarHBondContact O-CG 3.31Å; K122-E126 PolarHBondContact O-N 3.2Å
123	K	80.5	Confident	75.5	Confident	136 Å²	136	122.2 Å²	122.2	59%	0.591	62%	0.618	S	S	*	*	H	α-helix	trans	-62.5	-33.3	176.3	-75.2	-178.6	176	-177.8	0	113	I119 L120 K121 A127	I119-K123 HydrophobicContact CG2-CD 4.43Å; I119-K123 WeakPolarHBondContact O-CG 3.11Å; I119-K123 PolarHBondContact O-N 3.33Å; L120-K123 PolarHBondContact O-N 2.92Å; K121-K123 VanDerWaalsContact C-N 3.34Å; K121-K123 PolarHBondContact O-N 3.37Å; K123-A127 VanDerWaalsContact O-CB 3.32Å; K123-A127 WeakPolarHBondContact O-CB 3.46Å; K123-A127 PolarHBondContact O-N 3Å; K123-A127 VanDerWaalsContact O-N 3.15Å
124	A	79.6	Confident	76.4	Confident	56 Å²	56	125.3 Å²	125.3	46%	0.463	63%	0.627	S	S	.	*	H	α-helix	trans	-70.1	-44.4	174.6	0	0	0	0	0	111.9	L120 K121 K122 A127 E128	L120-A124 PolarHBondContact O-N 2.73Å; L120-A124 VanDerWaalsContact O-N 3.13Å; K121-A124 WeakPolarHBondContact O-CB 3.41Å; K121-A124 PolarHBondContact O-N 3.19Å; K121-A124 VanDerWaalsContact O-N 3.12Å; K122-A124 VanDerWaalsContact C-N 3.28Å; K122-A124 PolarHBondContact O-N 3.45Å; A124-A127 PolarHBondContact O-N 2.81Å; A124-E128 PolarHBondContact O-N 3.35Å
125	E	79.3	Confident	77	Confident	125 Å²	125	124.3 Å²	124.3	58%	0.584	62%	0.616	S	S	*	*	H	α-helix	trans	-63.6	-42.7	177	-70.3	179.3	159.6	0	0	112.2	K121 K122 A127 E128 L129	K121-E125 PolarHBondContact O-N 2.69Å; K122-E125 PolarHBondContact O-N 3.43Å; E125-A127 VanDerWaalsContact C-N 3.33Å; E125-A127 PolarHBondContact O-N 3.21Å; E125-E128 PolarHBondContact O-N 2.96Å; E125-L129 WeakPolarHBondContact O-CG 3.41Å; E125-L129 PolarHBondContact O-N 2.93Å
126	E	77.7	Confident	77.8	Confident	118 Å²	118	119.9 Å²	119.9	55%	0.551	60%	0.596	S	S	*	*	H	α-helix	trans	-60.5	-40.8	173.3	-73.5	175.3	174.8	0	0	111.8	K122 E128 L129 I130	K122-E126 WeakPolarHBondContact O-CG 3.31Å; K122-E126 PolarHBondContact O-N 3.2Å; E126-E128 VanDerWaalsContact C-N 3.31Å; E126-E128 PolarHBondContact O-N 3.37Å; E126-L129 PolarHBondContact O-N 3.24Å; E126-I130 WeakPolarHBondContact O-CD1 3.46Å; E126-I130 VanDerWaalsContact O-CG1 3.29Å; E126-I130 WeakPolarHBondContact O-CG1 3.39Å; E126-I130 PolarHBondContact O-N 3.21Å; E126-I130 VanDerWaalsContact O-N 3.13Å
127	A	75.9	Confident	78.1	Confident	50 Å²	50	120.1 Å²	120.1	41%	0.413	60%	0.595	S	S	.	*	H	α-helix	trans	-69.6	-23.8	177.4	0	0	0	0	0	114	K123 A124 E125	K123-A127 VanDerWaalsContact O-CB 3.32Å; K123-A127 WeakPolarHBondContact O-CB 3.46Å; K123-A127 PolarHBondContact O-N 3Å; K123-A127 VanDerWaalsContact O-N 3.15Å; A124-A127 PolarHBondContact O-N 2.81Å; E125-A127 VanDerWaalsContact C-N 3.33Å; E125-A127 PolarHBondContact O-N 3.21Å
128	E	74.1	Confident	78.7	Confident	144 Å²	144	121.9 Å²	121.9	67%	0.673	60%	0.603	S	S	*	*	H	α-helix	trans	-78.4	-39.2	170	-71.2	-166.2	158.4	0	0	112.1	A124 E125 E126 I130 K131	A124-E128 PolarHBondContact O-N 3.35Å; E125-E128 PolarHBondContact O-N 2.96Å; E126-E128 VanDerWaalsContact C-N 3.31Å; E126-E128 PolarHBondContact O-N 3.37Å; E128-I130 VanDerWaalsContact C-N 3.29Å; E128-I130 PolarHBondContact O-N 3.28Å; E128-K131 PolarHBondContact O-N 3.22Å
129	L	71.7	Confident	79.4	Confident	149 Å²	149	121.1 Å²	121.1	78%	0.78	60%	0.597	S	S	*	*	H	α-helix	trans	-65.7	-28	177.7	-72.4	168.5	0	0	0	113.7	E125 E126 K131	E125-L129 WeakPolarHBondContact O-CG 3.41Å; E125-L129 PolarHBondContact O-N 2.93Å; E126-L129 PolarHBondContact O-N 3.24Å; L129-K131 VanDerWaalsContact C-N 3.28Å; L129-K131 PolarHBondContact O-N 2.77Å
130	I	77.2	Confident	79.5	Confident	136 Å²	136	123.3 Å²	123.3	70%	0.697	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-20.1	177.2	-70.8	163.9	0	0	0	112.4	E126 E128 P132	E126-I130 WeakPolarHBondContact O-CD1 3.46Å; E126-I130 VanDerWaalsContact O-CG1 3.29Å; E126-I130 WeakPolarHBondContact O-CG1 3.39Å; E126-I130 PolarHBondContact O-N 3.21Å; E126-I130 VanDerWaalsContact O-N 3.13Å; E128-I130 VanDerWaalsContact C-N 3.29Å; E128-I130 PolarHBondContact O-N 3.28Å; I130-P132 WeakPolarHBondContact O-CD 3.48Å
131	K	77.6	Confident	79.9	Confident	148 Å²	148	121.5 Å²	121.5	64%	0.643	59%	0.589	S	S	*	*	S	Bend	trans	-78	117.7	-178.1	-67.5	173.7	-173.5	169.6	0	110.6	E128 L129 K133	E128-K131 PolarHBondContact O-N 3.22Å; L129-K131 VanDerWaalsContact C-N 3.28Å; L129-K131 PolarHBondContact O-N 2.77Å; K131-K133 PolarHBondContact O-N 3.03Å; K131-K133 VanDerWaalsContact O-N 3.12Å
132	P	77.3	Confident	80.3	Confident	128 Å²	128	120.7 Å²	120.7	83%	0.831	59%	0.588	S	S	*	*			trans	-66.7	115.5	-178.9	26.7	-33.8	0	0	0	110.7	I130 F134	I130-P132 WeakPolarHBondContact O-CD 3.48Å; P132-F134 PolarHBondContact O-N 3.46Å
133	K	75.7	Confident	80.5	Confident	187 Å²	187	118.8 Å²	118.8	81%	0.813	58%	0.581	S	S	*	*			trans	-73.8	124.5	176.2	-166.5	174.3	-176.3	-180	0	110	K131 I135	K131-K133 PolarHBondContact O-N 3.03Å; K131-K133 VanDerWaalsContact O-N 3.12Å; K133-I135 PolarHBondContact O-N 2.82Å
134	F	78.9	Confident	80.8	Confident	179 Å²	179	115.1 Å²	115.1	79%	0.785	58%	0.576	S	S	*	*			trans	-68.3	128.5	174.3	-175.4	-96.6	0	0	0	110.2	P132	P132-F134 PolarHBondContact O-N 3.46Å
135	I	78.6	Confident	81.2	Confident	51 Å²	51	116.6 Å²	116.6	26%	0.262	58%	0.575	S	S	.	*			trans	-116.5	129	-178.8	-65.1	171.7	0	0	0	108.1	K133 E139 R140	K133-I135 PolarHBondContact O-N 2.82Å; I135-E139 HydrophobicContact CG2-CB 3.45Å; I135-E139 VanDerWaalsContact CG2-CB 3.45Å; I135-R140 HydrophobicContact CG2-CB 4.41Å; I135-R140 HydrophobicContact CG2-CG 4.28Å; I135-R140 PolarHBondContact O-NE 3.43Å; I135-R140 PolarHBondContact O-NH2 3.05Å
136	S	85.8	Confident	81.7	Confident	43 Å²	43	116.5 Å²	116.5	30%	0.301	58%	0.575	S	S	.	*			trans	-52.5	153.1	177.9	163.5	0	0	0	0	111.5	E138 E139 R140	S136-E138 PolarHBondContact O-N 3.22Å; S136-E138 PolarHBondContact OG-N 3.06Å; S136-E138 VanDerWaalsContact OG-N 3.16Å; S136-E139 WeakPolarHBondContact CB-OE2 3.18Å; S136-E139 PolarHBondContact N-OE2 2.91Å; S136-E139 PolarHBondContact O-N 3.31Å; S136-R140 WeakPolarHBondContact O-CB 3.46Å; S136-R140 PolarHBondContact O-N 2.7Å
137	K	84	Confident	82.2	Confident	162 Å²	162	119.6 Å²	119.6	70%	0.704	58%	0.582	S	S	*	*	H	α-helix	trans	-58.4	-36.6	173.8	-173	-179.7	177.2	-175.1	0	111.1	I141	K137-I141 HydrophobicContact CG-CD1 4.27Å; K137-I141 WeakPolarHBondContact O-CD1 3.37Å; K137-I141 VanDerWaalsContact O-CG1 3.27Å; K137-I141 WeakPolarHBondContact O-CG1 3.33Å; K137-I141 PolarHBondContact O-N 3.35Å; K137-I141 VanDerWaalsContact O-N 3.13Å
138	E	86.4	Confident	82.9	Confident	144 Å²	144	126.2 Å²	126.2	67%	0.673	60%	0.596	S	S	*	*	H	α-helix	trans	-71.2	-46.5	178.3	-63	-177.6	151	0	0	111.8	S136 R140 I141 Q142	S136-E138 PolarHBondContact O-N 3.22Å; S136-E138 PolarHBondContact OG-N 3.06Å; S136-E138 VanDerWaalsContact OG-N 3.16Å; E138-R140 VanDerWaalsContact C-N 3.27Å; E138-R140 PolarHBondContact O-N 3.39Å; E138-I141 WeakPolarHBondContact O-CB 3.43Å; E138-I141 PolarHBondContact O-N 3.48Å; E138-I141 VanDerWaalsContact O-N 3.09Å; E138-Q142 WeakPolarHBondContact O-CG 3.14Å; E138-Q142 PolarHBondContact O-N 2.77Å
139	E	86	Confident	83.6	Confident	96 Å²	96	125 Å²	125	45%	0.449	59%	0.59	S	S	.	*	H	α-helix	trans	-59.3	-38.9	174.6	-69.7	175.9	135.6	0	0	111.6	I135 S136 I141 Q142 Q143	I135-E139 HydrophobicContact CG2-CB 3.45Å; I135-E139 VanDerWaalsContact CG2-CB 3.45Å; S136-E139 WeakPolarHBondContact CB-OE2 3.18Å; S136-E139 PolarHBondContact N-OE2 2.91Å; S136-E139 PolarHBondContact O-N 3.31Å; E139-I141 VanDerWaalsContact C-N 3.34Å; E139-I141 PolarHBondContact O-N 3.48Å; E139-Q142 PolarHBondContact O-N 3.18Å; E139-Q143 WeakPolarHBondContact O-CB 3.26Å; E139-Q143 WeakPolarHBondContact O-CG 3.48Å; E139-Q143 PolarHBondContact O-N 3.19Å
140	R	83.3	Confident	84.5	Confident	135 Å²	135	120.5 Å²	120.5	51%	0.509	58%	0.575	S	S	.	*	H	α-helix	trans	-63.2	-39.9	174.8	-122.3	177.6	-64.9	162.6	-1.2	112.2	I135 S136 E138 A144	I135-R140 HydrophobicContact CG2-CB 4.41Å; I135-R140 HydrophobicContact CG2-CG 4.28Å; I135-R140 PolarHBondContact O-NE 3.43Å; I135-R140 PolarHBondContact O-NH2 3.05Å; S136-R140 WeakPolarHBondContact O-CB 3.46Å; S136-R140 PolarHBondContact O-N 2.7Å; E138-R140 VanDerWaalsContact C-N 3.27Å; E138-R140 PolarHBondContact O-N 3.39Å; R140-A144 VanDerWaalsContact O-CB 3.3Å; R140-A144 WeakPolarHBondContact O-CB 3.48Å; R140-A144 PolarHBondContact O-N 3.43Å
141	I	86.3	Confident	85	Confident	88 Å²	88	119.2 Å²	119.2	45%	0.451	57%	0.566	S	S	.	*	H	α-helix	trans	-67.1	-43.5	175.3	-70.2	163.6	0	0	0	110.1	K137 E138 E139 A144 I145	K137-I141 HydrophobicContact CG-CD1 4.27Å; K137-I141 WeakPolarHBondContact O-CD1 3.37Å; K137-I141 VanDerWaalsContact O-CG1 3.27Å; K137-I141 WeakPolarHBondContact O-CG1 3.33Å; K137-I141 PolarHBondContact O-N 3.35Å; K137-I141 VanDerWaalsContact O-N 3.13Å; E138-I141 WeakPolarHBondContact O-CB 3.43Å; E138-I141 PolarHBondContact O-N 3.48Å; E138-I141 VanDerWaalsContact O-N 3.09Å; E139-I141 VanDerWaalsContact C-N 3.34Å; E139-I141 PolarHBondContact O-N 3.48Å; I141-A144 PolarHBondContact O-N 3.24Å; I141-I145 HydrophobicContact CG2-CD1 3.75Å; I141-I145 HydrophobicContact CG2-CG1 4.45Å; I141-I145 WeakPolarHBondContact O-CB 3.38Å; I141-I145 VanDerWaalsContact O-CG1 3.27Å; I141-I145 WeakPolarHBondContact O-CG1 3.34Å; I141-I145 PolarHBondContact O-N 2.97Å
142	Q	88.2	Confident	85.6	Confident	118 Å²	118	115.3 Å²	115.3	55%	0.551	55%	0.554	S	S	*	*	H	α-helix	trans	-62.1	-45.8	176.1	-70.9	-179.5	1.9	0	0	112.3	E138 E139 A144 I145 Q146	E138-Q142 WeakPolarHBondContact O-CG 3.14Å; E138-Q142 PolarHBondContact O-N 2.77Å; E139-Q142 PolarHBondContact O-N 3.18Å; Q142-A144 VanDerWaalsContact C-N 3.35Å; Q142-A144 PolarHBondContact O-N 2.97Å; Q142-I145 PolarHBondContact O-N 2.94Å; Q142-Q146 WeakPolarHBondContact O-CG 3.49Å; Q142-Q146 PolarHBondContact O-N 3.19Å
143	Q	85.9	Confident	86.1	Confident	101 Å²	101	115.4 Å²	115.4	47%	0.472	54%	0.543	S	S	.	.	H	α-helix	trans	-62.5	-40	175.2	-73.8	-179.5	0.2	0	0	112	E139 Q146 R147	E139-Q143 WeakPolarHBondContact O-CB 3.26Å; E139-Q143 WeakPolarHBondContact O-CG 3.48Å; E139-Q143 PolarHBondContact O-N 3.19Å; Q143-Q146 PolarHBondContact O-N 2.97Å; Q143-R147 VanDerWaalsContact O-CB 3.31Å; Q143-R147 WeakPolarHBondContact O-CB 3.17Å; Q143-R147 PolarHBondContact O-N 3.24Å
144	A	87.5	Confident	86.7	Confident	60 Å²	60	108.5 Å²	108.5	50%	0.496	52%	0.521	S	S	.	.	H	α-helix	trans	-65.1	-39.1	174.7	0	0	0	0	0	112.4	R140 I141 Q142 R148	R140-A144 VanDerWaalsContact O-CB 3.3Å; R140-A144 WeakPolarHBondContact O-CB 3.48Å; R140-A144 PolarHBondContact O-N 3.43Å; I141-A144 PolarHBondContact O-N 3.24Å; Q142-A144 VanDerWaalsContact C-N 3.35Å; Q142-A144 PolarHBondContact O-N 2.97Å; A144-R148 VanDerWaalsContact O-CB 3.31Å; A144-R148 WeakPolarHBondContact O-CB 3.34Å; A144-R148 PolarHBondContact O-N 3.09Å
145	I	88.8	Confident	87	Confident	86 Å²	86	105.8 Å²	105.8	44%	0.441	51%	0.511	S	S	.	.	H	α-helix	trans	-65.3	-47.4	175	-70.9	166.2	0	0	0	110.7	I141 Q142 R147 R148 Q149	I141-I145 HydrophobicContact CG2-CD1 3.75Å; I141-I145 HydrophobicContact CG2-CG1 4.45Å; I141-I145 WeakPolarHBondContact O-CB 3.38Å; I141-I145 VanDerWaalsContact O-CG1 3.27Å; I141-I145 WeakPolarHBondContact O-CG1 3.34Å; I141-I145 PolarHBondContact O-N 2.97Å; Q142-I145 PolarHBondContact O-N 2.94Å; I145-R147 PolarHBondContact O-N 3.29Å; I145-R148 PolarHBondContact O-N 3.45Å; I145-Q149 HydrophobicContact CG2-CG 4.43Å; I145-Q149 WeakPolarHBondContact O-CB 3.45Å; I145-Q149 WeakPolarHBondContact O-CG 3.39Å; I145-Q149 PolarHBondContact O-N 2.71Å
146	Q	89.5	Confident	87.5	Confident	124 Å²	124	111.6 Å²	111.6	58%	0.579	53%	0.529	S	S	*	.	H	α-helix	trans	-59.9	-44.9	176.8	-74.9	-179.6	-2.3	0	0	111.7	Q142 Q143 R148 Q149 A150	Q142-Q146 WeakPolarHBondContact O-CG 3.49Å; Q142-Q146 PolarHBondContact O-N 3.19Å; Q143-Q146 PolarHBondContact O-N 2.97Å; Q146-R148 PolarHBondContact O-N 2.97Å; Q146-Q149 PolarHBondContact O-N 3.37Å; Q146-A150 WeakPolarHBondContact O-CB 3.39Å; Q146-A150 PolarHBondContact O-N 3.25Å
147	R	88.6	Confident	87.6	Confident	182 Å²	182	116 Å²	116	69%	0.687	55%	0.545	S	S	*	.	H	α-helix	trans	-62.1	-43	177.6	-166.4	173	-172.9	149.7	3.8	111.8	Q143 I145 A150 E151	Q143-R147 VanDerWaalsContact O-CB 3.31Å; Q143-R147 WeakPolarHBondContact O-CB 3.17Å; Q143-R147 PolarHBondContact O-N 3.24Å; I145-R147 PolarHBondContact O-N 3.29Å; R147-A150 PolarHBondContact O-N 2.94Å; R147-E151 WeakPolarHBondContact O-CG 3.09Å; R147-E151 PolarHBondContact O-N 3.06Å
148	R	88.9	Confident	87.7	Confident	190 Å²	190	115.8 Å²	115.8	72%	0.717	54%	0.544	S	S	*	.	H	α-helix	trans	-65.4	-37.4	174.9	-171.2	176.1	-177.9	177.4	1	112.5	A144 I145 Q146 V152	A144-R148 VanDerWaalsContact O-CB 3.31Å; A144-R148 WeakPolarHBondContact O-CB 3.34Å; A144-R148 PolarHBondContact O-N 3.09Å; I145-R148 PolarHBondContact O-N 3.45Å; Q146-R148 PolarHBondContact O-N 2.97Å; R148-V152 VanDerWaalsContact O-CG2 3.29Å; R148-V152 WeakPolarHBondContact O-CG2 3.35Å; R148-V152 PolarHBondContact O-N 3.03Å
149	Q	90.6	Very high	87.7	Confident	119 Å²	119	115.4 Å²	115.4	56%	0.556	54%	0.543	S	S	*	.	H	α-helix	trans	-65.3	-43.7	174.3	-76.2	175.3	-13.9	0	0	111.6	I145 Q146 V152 Q153	I145-Q149 HydrophobicContact CG2-CG 4.43Å; I145-Q149 WeakPolarHBondContact O-CB 3.45Å; I145-Q149 WeakPolarHBondContact O-CG 3.39Å; I145-Q149 PolarHBondContact O-N 2.71Å; Q146-Q149 PolarHBondContact O-N 3.37Å; Q149-V152 PolarHBondContact O-N 3.09Å; Q149-Q153 PolarHBondContact O-N 3Å
150	A	90.1	Very high	87.7	Confident	54 Å²	54	117.2 Å²	117.2	45%	0.446	55%	0.552	S	S	.	*	H	α-helix	trans	-63	-42.2	176.2	0	0	0	0	0	112.3	Q146 R147 Q153 A154	Q146-A150 WeakPolarHBondContact O-CB 3.39Å; Q146-A150 PolarHBondContact O-N 3.25Å; R147-A150 PolarHBondContact O-N 2.94Å; A150-Q153 PolarHBondContact O-N 3.48Å; A150-A154 WeakPolarHBondContact O-CB 3.3Å; A150-A154 PolarHBondContact O-N 3.12Å
151	E	87.6	Confident	87.8	Confident	109 Å²	109	115.4 Å²	115.4	51%	0.509	55%	0.553	S	S	.	*	H	α-helix	trans	-62.9	-40.7	174.9	-75.4	172	-168.8	0	0	112.3	R147 A154 Q155	R147-E151 WeakPolarHBondContact O-CG 3.09Å; R147-E151 PolarHBondContact O-N 3.06Å; E151-A154 PolarHBondContact O-N 3.39Å; E151-Q155 WeakPolarHBondContact O-CG 3.25Å; E151-Q155 PolarHBondContact O-N 2.96Å
152	V	89.3	Confident	87.8	Confident	66 Å²	66	114 Å²	114	40%	0.4	55%	0.554	S	S	.	*	H	α-helix	trans	-67.6	-37.9	175.6	169.8	0	0	0	0	112	R148 Q149 Q155 R156	R148-V152 VanDerWaalsContact O-CG2 3.29Å; R148-V152 WeakPolarHBondContact O-CG2 3.35Å; R148-V152 PolarHBondContact O-N 3.03Å; Q149-V152 PolarHBondContact O-N 3.09Å; V152-Q155 PolarHBondContact O-N 3.43Å; V152-R156 WeakPolarHBondContact O-CG 3.08Å; V152-R156 PolarHBondContact O-N 2.85Å
153	Q	88.4	Confident	87.7	Confident	129 Å²	129	114.8 Å²	114.8	60%	0.603	56%	0.556	S	S	*	*	H	α-helix	trans	-63.3	-48.8	172.7	-79.1	179.4	-36.8	0	0	111.4	Q149 A150 Q155 R156 E157	Q149-Q153 PolarHBondContact O-N 3Å; A150-Q153 PolarHBondContact O-N 3.48Å; Q153-Q155 VanDerWaalsContact C-N 3.28Å; Q153-Q155 PolarHBondContact O-N 3.31Å; Q153-R156 WeakPolarHBondContact O-CB 3.42Å; Q153-R156 PolarHBondContact O-N 2.91Å; Q153-E157 PolarHBondContact O-N 2.77Å
154	A	88.8	Confident	87.7	Confident	42 Å²	42	115.6 Å²	115.6	35%	0.347	56%	0.558	S	S	.	*	H	α-helix	trans	-62.2	-32.2	178.1	0	0	0	0	0	113.1	A150 E151 K158	A150-A154 WeakPolarHBondContact O-CB 3.3Å; A150-A154 PolarHBondContact O-N 3.12Å; E151-A154 PolarHBondContact O-N 3.39Å; A154-K158 WeakPolarHBondContact O-CG 3.36Å; A154-K158 PolarHBondContact O-N 3.47Å
155	Q	85.6	Confident	87.7	Confident	123 Å²	123	119.3 Å²	119.3	58%	0.575	56%	0.563	S	S	*	*	H	α-helix	trans	-68.5	-41.6	171.1	-76.4	-176.6	4.3	0	0	112.3	E151 V152 Q153 K158 Q159	E151-Q155 WeakPolarHBondContact O-CG 3.25Å; E151-Q155 PolarHBondContact O-N 2.96Å; V152-Q155 PolarHBondContact O-N 3.43Å; Q153-Q155 VanDerWaalsContact C-N 3.28Å; Q153-Q155 PolarHBondContact O-N 3.31Å; Q155-K158 PolarHBondContact O-N 2.93Å; Q155-Q159 WeakPolarHBondContact O-CG 3.39Å; Q155-Q159 PolarHBondContact O-N 3.11Å
156	R	87.6	Confident	87.4	Confident	172 Å²	172	121.1 Å²	121.1	65%	0.649	57%	0.57	S	S	*	*	H	α-helix	trans	-63.9	-42.9	176	-77.1	-180	172.6	-173.1	-2	112.3	V152 Q153 Q159 M160	V152-R156 WeakPolarHBondContact O-CG 3.08Å; V152-R156 PolarHBondContact O-N 2.85Å; Q153-R156 WeakPolarHBondContact O-CB 3.42Å; Q153-R156 PolarHBondContact O-N 2.91Å; R156-Q159 PolarHBondContact O-N 3.39Å; R156-M160 WeakPolarHBondContact O-CG 3.45Å; R156-M160 PolarHBondContact O-N 3.13Å
157	E	87.7	Confident	87.1	Confident	135 Å²	135	117.8 Å²	117.8	63%	0.631	56%	0.558	S	S	*	*	H	α-helix	trans	-60.4	-46	175.6	-71.8	-178.9	156.4	0	0	111.5	Q153 Q159 M160 D161	Q153-E157 PolarHBondContact O-N 2.77Å; E157-Q159 VanDerWaalsContact C-N 3.3Å; E157-Q159 PolarHBondContact O-N 3.32Å; E157-M160 PolarHBondContact O-N 3.2Å; E157-D161 PolarHBondContact O-N 3.11Å
158	K	87	Confident	86.8	Confident	159 Å²	159	114.5 Å²	114.5	69%	0.691	55%	0.55	S	S	*	*	H	α-helix	trans	-60	-36.8	174.9	-75.8	177.8	179.6	179.5	0	113.3	A154 Q155 A162	A154-K158 WeakPolarHBondContact O-CG 3.36Å; A154-K158 PolarHBondContact O-N 3.47Å; Q155-K158 PolarHBondContact O-N 2.93Å; K158-A162 WeakPolarHBondContact O-CB 3.5Å; K158-A162 PolarHBondContact O-N 2.99Å
159	Q	85.4	Confident	86.5	Confident	136 Å²	136	114 Å²	114	64%	0.636	55%	0.549	S	S	*	.	H	α-helix	trans	-68.8	-41.7	175.2	-74.1	177.8	-2.8	0	0	112	Q155 R156 E157 A162 F163	Q155-Q159 WeakPolarHBondContact O-CG 3.39Å; Q155-Q159 PolarHBondContact O-N 3.11Å; R156-Q159 PolarHBondContact O-N 3.39Å; E157-Q159 VanDerWaalsContact C-N 3.3Å; E157-Q159 PolarHBondContact O-N 3.32Å; Q159-A162 PolarHBondContact O-N 3.27Å; Q159-F163 WeakPolarHBondContact O-CB 3.03Å; Q159-F163 PolarHBondContact O-N 3.28Å
160	M	85.9	Confident	86	Confident	133 Å²	133	112.5 Å²	112.5	66%	0.655	55%	0.545	S	S	*	.	H	α-helix	trans	-63.7	-43.3	176.2	-71.1	-65.8	-66.9	0	0	112.1	R156 E157 F163 K164	R156-M160 WeakPolarHBondContact O-CG 3.45Å; R156-M160 PolarHBondContact O-N 3.13Å; E157-M160 PolarHBondContact O-N 3.2Å; M160-F163 PolarHBondContact O-N 3.1Å; M160-K164 WeakPolarHBondContact O-CB 3.27Å; M160-K164 PolarHBondContact O-N 2.9Å
161	D	86.9	Confident	85.5	Confident	98 Å²	98	116.5 Å²	116.5	52%	0.524	55%	0.554	S	S	.	*	H	α-helix	trans	-65.5	-38.2	175.9	-95.6	1.9	0	0	0	112.6	E157 K164 K165	E157-D161 PolarHBondContact O-N 3.11Å; D161-K164 PolarHBondContact O-N 2.64Å; D161-K165 WeakPolarHBondContact O-CG 3.37Å; D161-K165 PolarHBondContact O-N 3.44Å
162	A	85.7	Confident	85.1	Confident	57 Å²	57	113.3 Å²	113.3	47%	0.471	55%	0.551	S	S	.	*	H	α-helix	trans	-64.3	-45.1	174.5	0	0	0	0	0	111.4	K158 Q159 K164 K165 Q166	K158-A162 WeakPolarHBondContact O-CB 3.5Å; K158-A162 PolarHBondContact O-N 2.99Å; Q159-A162 PolarHBondContact O-N 3.27Å; A162-K164 PolarHBondContact O-N 3.25Å; A162-K165 PolarHBondContact O-N 3.27Å; A162-Q166 PolarHBondContact O-N 3.15Å
163	F	85.7	Confident	84.5	Confident	135 Å²	135	112.5 Å²	112.5	59%	0.592	55%	0.552	S	S	*	*	H	α-helix	trans	-60.2	-45.2	175.3	-176	-98.9	0	0	0	111.6	Q159 M160 K165 Q166 T167	Q159-F163 WeakPolarHBondContact O-CB 3.03Å; Q159-F163 PolarHBondContact O-N 3.28Å; M160-F163 PolarHBondContact O-N 3.1Å; F163-K165 PolarHBondContact O-N 3.34Å; F163-Q166 WeakPolarHBondContact O-CB 3Å; F163-Q166 PolarHBondContact O-N 2.99Å; F163-Q166 VanDerWaalsContact O-N 3.14Å; F163-T167 HydrophobicContact CD1-CG2 4.38Å; F163-T167 HydrophobicContact CE1-CG2 3.94Å; F163-T167 HydrophobicContact CZ-CG2 4.13Å; F163-T167 PolarHBondContact O-N 3.13Å; F163-T167 PolarHBondContact O-OG1 3.41Å
164	K	86.9	Confident	84.1	Confident	118 Å²	118	113.6 Å²	113.6	51%	0.513	55%	0.554	S	S	.	*	H	α-helix	trans	-61.3	-44.2	179.1	-169.4	176.3	177.7	-175.9	0	112.7	M160 D161 A162 Q166 T167 E168	M160-K164 WeakPolarHBondContact O-CB 3.27Å; M160-K164 PolarHBondContact O-N 2.9Å; D161-K164 PolarHBondContact O-N 2.64Å; A162-K164 PolarHBondContact O-N 3.25Å; K164-Q166 VanDerWaalsContact C-N 3.31Å; K164-Q166 PolarHBondContact O-N 3.27Å; K164-T167 WeakPolarHBondContact CA-OG1 3.24Å; K164-T167 PolarHBondContact O-N 2.94Å; K164-T167 PolarHBondContact O-OG1 3.23Å; K164-E168 PolarHBondContact O-N 2.88Å
165	K	86.4	Confident	83.6	Confident	139 Å²	139	115.7 Å²	115.7	60%	0.604	56%	0.559	S	S	*	*	H	α-helix	trans	-62.3	-37.1	173.9	-73.9	172.6	-177.9	171.5	0	112.4	D161 A162 F163 Y169	D161-K165 WeakPolarHBondContact O-CG 3.37Å; D161-K165 PolarHBondContact O-N 3.44Å; A162-K165 PolarHBondContact O-N 3.27Å; F163-K165 PolarHBondContact O-N 3.34Å; K165-Y169 PolarHBondContact O-N 3.5Å; K165-Y169 VanDerWaalsContact O-N 3.09Å
166	Q	82.5	Confident	83	Confident	123 Å²	123	114.9 Å²	114.9	58%	0.575	56%	0.559	S	S	*	*	H	α-helix	trans	-67.9	-38.7	176.3	-168.7	173.6	7.1	0	0	111.8	A162 F163 K164 L170	A162-Q166 PolarHBondContact O-N 3.15Å; F163-Q166 WeakPolarHBondContact O-CB 3Å; F163-Q166 PolarHBondContact O-N 2.99Å; F163-Q166 VanDerWaalsContact O-N 3.14Å; K164-Q166 VanDerWaalsContact C-N 3.31Å; K164-Q166 PolarHBondContact O-N 3.27Å; Q166-L170 HydrophobicContact CG-CD1 4.37Å; Q166-L170 WeakPolarHBondContact O-CG 3.41Å; Q166-L170 PolarHBondContact O-N 2.91Å; Q166-L170 VanDerWaalsContact O-N 3.15Å
167	T	82.7	Confident	82.4	Confident	54 Å²	54	111.5 Å²	111.5	33%	0.331	55%	0.55	S	S	.	*	H	α-helix	trans	-65.8	-44.5	173.9	47.2	0	0	0	0	112.6	F163 K164 Y169 L170 E171	F163-T167 HydrophobicContact CD1-CG2 4.38Å; F163-T167 HydrophobicContact CE1-CG2 3.94Å; F163-T167 HydrophobicContact CZ-CG2 4.13Å; F163-T167 PolarHBondContact O-N 3.13Å; F163-T167 PolarHBondContact O-OG1 3.41Å; K164-T167 WeakPolarHBondContact CA-OG1 3.24Å; K164-T167 PolarHBondContact O-N 2.94Å; K164-T167 PolarHBondContact O-OG1 3.23Å; T167-Y169 VanDerWaalsContact C-N 3.33Å; T167-Y169 PolarHBondContact O-N 3.14Å; T167-L170 PolarHBondContact O-N 2.69Å; T167-E171 PolarHBondContact O-N 2.97Å
168	E	83.4	Confident	81.8	Confident	113 Å²	113	113.7 Å²	113.7	53%	0.528	55%	0.553	S	S	.	*	H	α-helix	trans	-61.1	-39.5	177.3	-74.5	175.1	-178.9	0	0	112.1	K164 G172	K164-E168 PolarHBondContact O-N 2.88Å; E168-G172 PolarHBondContact O-N 3.19Å
169	Y	81.8	Confident	81.1	Confident	179 Å²	179	112.2 Å²	112.2	70%	0.702	55%	0.546	S	S	*	.	H	α-helix	trans	-63.6	-43.5	174.9	179.6	-97.4	0	0	0	112.6	K165 T167 G172 A173	K165-Y169 PolarHBondContact O-N 3.5Å; K165-Y169 VanDerWaalsContact O-N 3.09Å; T167-Y169 VanDerWaalsContact C-N 3.33Å; T167-Y169 PolarHBondContact O-N 3.14Å; Y169-G172 PolarHBondContact O-N 3.14Å; Y169-A173 WeakPolarHBondContact O-CB 3.5Å; Y169-A173 PolarHBondContact O-N 2.8Å
170	L	80.9	Confident	80.4	Confident	89 Å²	89	113.6 Å²	113.6	47%	0.466	55%	0.546	S	S	.	.	H	α-helix	trans	-69.2	-35	179.6	-72.4	170	0	0	0	112.8	Q166 T167 K174	Q166-L170 HydrophobicContact CG-CD1 4.37Å; Q166-L170 WeakPolarHBondContact O-CG 3.41Å; Q166-L170 PolarHBondContact O-N 2.91Å; Q166-L170 VanDerWaalsContact O-N 3.15Å; T167-L170 PolarHBondContact O-N 2.69Å; L170-K174 WeakPolarHBondContact O-CG 3.48Å; L170-K174 PolarHBondContact O-N 2.71Å; L170-K174 VanDerWaalsContact O-N 3.14Å
171	E	80.5	Confident	79.7	Confident	137 Å²	137	115.3 Å²	115.3	64%	0.64	55%	0.545	S	S	*	.	H	α-helix	trans	-68.5	-45.1	171.7	-71.2	-169	150.9	0	0	111.6	T167 A173 K174 D175	T167-E171 PolarHBondContact O-N 2.97Å; E171-A173 VanDerWaalsContact C-N 3.3Å; E171-A173 PolarHBondContact O-N 3.48Å; E171-K174 PolarHBondContact O-N 3.04Å; E171-K174 VanDerWaalsContact O-N 3.15Å; E171-D175 PolarHBondContact O-N 3.39Å
172	G	78.3	Confident	78.9	Confident	43 Å²	43	114.4 Å²	114.4	44%	0.443	54%	0.543	S	S	.	.	H	α-helix	trans	-57.6	-40	175.4	0	0	0	0	0	113.3	E168 Y169 L176	E168-G172 PolarHBondContact O-N 3.19Å; Y169-G172 PolarHBondContact O-N 3.14Å; G172-L176 WeakPolarHBondContact O-CB 3.5Å; G172-L176 PolarHBondContact O-N 2.8Å; G172-L176 VanDerWaalsContact O-N 3.1Å
173	A	77.7	Confident	77.8	Confident	49 Å²	49	117.6 Å²	117.6	41%	0.405	55%	0.548	S	S	.	.	H	α-helix	trans	-65.2	-45.9	174.2	0	0	0	0	0	112.4	Y169 E171 D175 L176 E177	Y169-A173 WeakPolarHBondContact O-CB 3.5Å; Y169-A173 PolarHBondContact O-N 2.8Å; E171-A173 VanDerWaalsContact C-N 3.3Å; E171-A173 PolarHBondContact O-N 3.48Å; A173-D175 VanDerWaalsContact C-N 3.35Å; A173-D175 PolarHBondContact O-N 3.43Å; A173-L176 PolarHBondContact O-N 3.08Å; A173-E177 PolarHBondContact O-N 3Å
174	K	78.3	Confident	76.8	Confident	152 Å²	152	115.6 Å²	115.6	66%	0.661	54%	0.543	S	S	*	.	H	α-helix	trans	-60.6	-42.1	176.8	-77.2	173.6	179.9	174.9	0	112.1	L170 E171 E177 R178	L170-K174 WeakPolarHBondContact O-CG 3.48Å; L170-K174 PolarHBondContact O-N 2.71Å; L170-K174 VanDerWaalsContact O-N 3.14Å; E171-K174 PolarHBondContact O-N 3.04Å; E171-K174 VanDerWaalsContact O-N 3.15Å; K174-E177 PolarHBondContact O-N 2.78Å; K174-R178 WeakPolarHBondContact O-CB 3.47Å; K174-R178 PolarHBondContact O-N 3Å
175	D	78.2	Confident	75.8	Confident	85 Å²	85	116.1 Å²	116.1	46%	0.455	55%	0.546	S	S	.	.	H	α-helix	trans	-68.2	-34.7	178.8	-106.8	11.5	0	0	0	112.7	E171 A173 R178 K179	E171-D175 PolarHBondContact O-N 3.39Å; A173-D175 VanDerWaalsContact C-N 3.35Å; A173-D175 PolarHBondContact O-N 3.43Å; D175-R178 PolarHBondContact O-N 2.94Å; D175-K179 WeakPolarHBondContact O-CG 3.35Å; D175-K179 PolarHBondContact O-N 2.86Å
176	L	73.5	Confident	74.6	Confident	107 Å²	107	114.9 Å²	114.9	56%	0.56	54%	0.542	S	S	*	.	H	α-helix	trans	-69.2	-37.6	175.7	-157.6	146.2	0	0	0	111.4	G172 A173 R180	G172-L176 WeakPolarHBondContact O-CB 3.5Å; G172-L176 PolarHBondContact O-N 2.8Å; G172-L176 VanDerWaalsContact O-N 3.1Å; A173-L176 PolarHBondContact O-N 3.08Å; L176-R180 PolarHBondContact O-N 3.37Å
177	E	74.5	Confident	73.5	Confident	100 Å²	100	114 Å²	114	47%	0.467	54%	0.538	S	S	.	.	H	α-helix	trans	-70.4	-36.3	171.4	-163.9	177.7	146.9	0	0	112.4	A173 K174 K179 R180 R181	A173-E177 PolarHBondContact O-N 3Å; K174-E177 PolarHBondContact O-N 2.78Å; E177-K179 VanDerWaalsContact C-N 3.32Å; E177-K179 PolarHBondContact O-N 3.31Å; E177-R180 PolarHBondContact O-N 2.88Å; E177-R181 WeakPolarHBondContact O-CG 3.44Å; E177-R181 PolarHBondContact O-N 3.43Å; E177-R181 IonicContact OE1-CZ 2.82Å; E177-R181 IonicContact OE1-NE 2.67Å; E177-R181 PolarHBondContact OE1-NE 3.48Å; E177-R181 IonicContact OE1-NH2 2.8Å; E177-R181 PolarHBondContact OE1-NH2 3.04Å
178	R	76.1	Confident	72.3	Confident	182 Å²	182	120.1 Å²	120.1	69%	0.687	56%	0.555	S	S	*	*	H	α-helix	trans	-61.6	-41.1	174.4	-146.8	176.6	-164.5	-174.8	4.3	111.4	K174 D175 R181 T182	K174-R178 WeakPolarHBondContact O-CB 3.47Å; K174-R178 PolarHBondContact O-N 3Å; D175-R178 PolarHBondContact O-N 2.94Å; R178-R181 PolarHBondContact O-N 3.24Å; R178-T182 PolarHBondContact O-N 3.32Å; R178-T182 VanDerWaalsContact O-N 3.09Å; R178-T182 PolarHBondContact O-OG1 3.03Å
179	K	72.8	Confident	71.1	Confident	128 Å²	128	120 Å²	120	56%	0.557	56%	0.556	S	S	*	*	H	α-helix	trans	-61.9	-49.7	172.4	-76.3	169.6	-177.2	165.6	0	111.8	D175 E177 R181 T182 E183	D175-K179 WeakPolarHBondContact O-CG 3.35Å; D175-K179 PolarHBondContact O-N 2.86Å; E177-K179 VanDerWaalsContact C-N 3.32Å; E177-K179 PolarHBondContact O-N 3.31Å; K179-R181 VanDerWaalsContact C-N 3.34Å; K179-R181 PolarHBondContact O-N 3.08Å; K179-T182 WeakPolarHBondContact CA-OG1 3.48Å; K179-T182 PolarHBondContact O-N 2.95Å; K179-T182 VanDerWaalsContact O-N 3.09Å; K179-T182 PolarHBondContact O-OG1 3.22Å; K179-E183 WeakPolarHBondContact O-CG 3.28Å; K179-E183 PolarHBondContact O-N 3.18Å
180	R	70.8	Confident	69.8	Low	165 Å²	165	118.8 Å²	118.8	62%	0.623	55%	0.55	S	S	*	.	H	α-helix	trans	-54.8	-45.5	174.5	-80.6	-178	164.8	-173.6	-4.9	112.5	L176 E177 T182 E183 D184	L176-R180 PolarHBondContact O-N 3.37Å; E177-R180 PolarHBondContact O-N 2.88Å; R180-T182 VanDerWaalsContact C-N 3.34Å; R180-T182 PolarHBondContact O-N 3.45Å; R180-E183 PolarHBondContact O-N 3.2Å; R180-D184 WeakPolarHBondContact O-CB 3.43Å; R180-D184 PolarHBondContact O-N 3.4Å
181	R	70.5	Confident	68.4	Low	169 Å²	169	120.4 Å²	120.4	64%	0.638	56%	0.555	S	S	*	*	H	α-helix	trans	-63.6	-35.5	177.2	-70	-177.9	-171.4	-159.7	4	113	E177 R178 K179 F185	E177-R181 WeakPolarHBondContact O-CG 3.44Å; E177-R181 PolarHBondContact O-N 3.43Å; E177-R181 IonicContact OE1-CZ 2.82Å; E177-R181 IonicContact OE1-NE 2.67Å; E177-R181 PolarHBondContact OE1-NE 3.48Å; E177-R181 IonicContact OE1-NH2 2.8Å; E177-R181 PolarHBondContact OE1-NH2 3.04Å; R178-R181 PolarHBondContact O-N 3.24Å; K179-R181 VanDerWaalsContact C-N 3.34Å; K179-R181 PolarHBondContact O-N 3.08Å; R181-F185 WeakPolarHBondContact O-CB 3.07Å; R181-F185 PolarHBondContact O-N 3.11Å
182	T	70.4	Confident	66.9	Low	78 Å²	78	121 Å²	121	48%	0.479	56%	0.563	S	S	.	*	H	α-helix	trans	-73.1	-32.7	173.5	48.4	0	0	0	0	113.4	R178 K179 R180 Q186	R178-T182 PolarHBondContact O-N 3.32Å; R178-T182 VanDerWaalsContact O-N 3.09Å; R178-T182 PolarHBondContact O-OG1 3.03Å; K179-T182 WeakPolarHBondContact CA-OG1 3.48Å; K179-T182 PolarHBondContact O-N 2.95Å; K179-T182 VanDerWaalsContact O-N 3.09Å; K179-T182 PolarHBondContact O-OG1 3.22Å; R180-T182 VanDerWaalsContact C-N 3.34Å; R180-T182 PolarHBondContact O-N 3.45Å; T182-Q186 WeakPolarHBondContact O-CG 3.3Å; T182-Q186 PolarHBondContact O-N 3.02Å
183	E	61.6	Low	65.5	Low	125 Å²	125	129.1 Å²	129.1	58%	0.584	58%	0.58	S	S	*	*	H	α-helix	trans	-67.8	-50.1	173.4	-72.4	173.6	160.3	0	0	110.5	K179 R180 F185 Q186 E187	K179-E183 WeakPolarHBondContact O-CG 3.28Å; K179-E183 PolarHBondContact O-N 3.18Å; R180-E183 PolarHBondContact O-N 3.2Å; E183-F185 VanDerWaalsContact C-N 3.29Å; E183-F185 PolarHBondContact O-N 3.44Å; E183-Q186 CarbonylContact O-C 3.45Å; E183-Q186 PolarHBondContact O-N 2.82Å; E183-Q186 VanDerWaalsContact O-N 3.1Å; E183-E187 WeakPolarHBondContact O-CB 3.19Å; E183-E187 PolarHBondContact O-N 2.88Å
184	D	65.5	Low	64.1	Low	92 Å²	92	130.8 Å²	130.8	49%	0.492	58%	0.582	S	S	.	*	H	α-helix	trans	-54.7	-41.6	173	-85.6	-7.4	0	0	0	112.4	R180 E187 R188	R180-D184 WeakPolarHBondContact O-CB 3.43Å; R180-D184 PolarHBondContact O-N 3.4Å; D184-E187 PolarHBondContact O-N 3.01Å; D184-R188 WeakPolarHBondContact O-CB 3.38Å; D184-R188 WeakPolarHBondContact O-CG 3.27Å; D184-R188 PolarHBondContact O-N 3.35Å
185	F	66.4	Low	62.3	Low	130 Å²	130	132.5 Å²	132.5	57%	0.57	59%	0.59	S	S	*	*	H	α-helix	trans	-67.8	-41.8	177.4	-173.9	-96.6	0	0	0	112	R181 E183 E187 M189	R181-F185 WeakPolarHBondContact O-CB 3.07Å; R181-F185 PolarHBondContact O-N 3.11Å; E183-F185 VanDerWaalsContact C-N 3.29Å; E183-F185 PolarHBondContact O-N 3.44Å; F185-E187 VanDerWaalsContact C-N 3.3Å; F185-E187 PolarHBondContact O-N 3.17Å; F185-M189 HydrophobicContact CD1-CG 4.4Å; F185-M189 HydrophobicContact CE1-CE 3.98Å; F185-M189 HydrophobicContact CE1-CG 4.12Å; F185-M189 HydrophobicContact CE2-CE 4.38Å; F185-M189 HydrophobicContact CZ-CE 3.6Å; F185-M189 HydrophobicContact CZ-CG 4.42Å; F185-M189 WeakPolarHBondContact O-CB 3.4Å; F185-M189 WeakPolarHBondContact O-CG 3.42Å; F185-M189 PolarHBondContact O-N 2.83Å
186	Q	61.4	Low	60.6	Low	112 Å²	112	139.7 Å²	139.7	52%	0.523	61%	0.611	S	S	.	*	H	α-helix	trans	-65.8	-33	172.5	-74.5	-173	29.5	0	0	112.3	T182 E183 R190	T182-Q186 WeakPolarHBondContact O-CG 3.3Å; T182-Q186 PolarHBondContact O-N 3.02Å; E183-Q186 CarbonylContact O-C 3.45Å; E183-Q186 PolarHBondContact O-N 2.82Å; E183-Q186 VanDerWaalsContact O-N 3.1Å; Q186-R190 WeakPolarHBondContact O-CB 3.41Å; Q186-R190 VanDerWaalsContact O-CG 3.27Å; Q186-R190 WeakPolarHBondContact O-CG 3.33Å; Q186-R190 PolarHBondContact O-N 3.25Å
187	E	57.6	Low	59.1	Low	105 Å²	105	140.8 Å²	140.8	49%	0.491	62%	0.617	S	S	.	*	H	α-helix	trans	-73.8	-43.1	179.5	-165	135.8	-110	0	0	111.5	E183 D184 F185 M189 R190 Q191	E183-E187 WeakPolarHBondContact O-CB 3.19Å; E183-E187 PolarHBondContact O-N 2.88Å; D184-E187 PolarHBondContact O-N 3.01Å; F185-E187 VanDerWaalsContact C-N 3.3Å; F185-E187 PolarHBondContact O-N 3.17Å; E187-M189 VanDerWaalsContact C-N 3.35Å; E187-M189 PolarHBondContact O-N 2.91Å; E187-R190 CarbonylContact O-C 3.57Å; E187-R190 WeakPolarHBondContact O-CA 3.35Å; E187-R190 WeakPolarHBondContact O-CB 3.45Å; E187-R190 PolarHBondContact O-N 3.44Å; E187-R190 VanDerWaalsContact O-N 3.09Å; E187-Q191 WeakPolarHBondContact O-CG 3.48Å; E187-Q191 PolarHBondContact O-N 2.88Å
188	R	58.4	Low	57.3	Low	182 Å²	182	142 Å²	142	69%	0.687	63%	0.631	S	S	*	*	H	α-helix	trans	-60	-41.8	168.9	-72.7	179.9	-178.1	-164.7	0.9	112.1	D184 R190 Q191 N192	D184-R188 WeakPolarHBondContact O-CB 3.38Å; D184-R188 WeakPolarHBondContact O-CG 3.27Å; D184-R188 PolarHBondContact O-N 3.35Å; R188-R190 VanDerWaalsContact C-N 3.31Å; R188-R190 PolarHBondContact O-N 2.81Å; R188-Q191 PolarHBondContact O-N 2.9Å; R188-N192 PolarHBondContact O-N 2.85Å
189	M	57.5	Low	55.5	Low	110 Å²	110	138.4 Å²	138.4	54%	0.542	64%	0.635	S	S	.	*	H	α-helix	trans	-65.2	-30.7	173	-78.4	-72.7	-172.4	0	0	113.2	F185 E187 R193	F185-M189 HydrophobicContact CD1-CG 4.4Å; F185-M189 HydrophobicContact CE1-CE 3.98Å; F185-M189 HydrophobicContact CE1-CG 4.12Å; F185-M189 HydrophobicContact CE2-CE 4.38Å; F185-M189 HydrophobicContact CZ-CE 3.6Å; F185-M189 HydrophobicContact CZ-CG 4.42Å; F185-M189 WeakPolarHBondContact O-CB 3.4Å; F185-M189 WeakPolarHBondContact O-CG 3.42Å; F185-M189 PolarHBondContact O-N 2.83Å; E187-M189 VanDerWaalsContact C-N 3.35Å; E187-M189 PolarHBondContact O-N 2.91Å; M189-R193 PolarHBondContact O-N 2.82Å
190	R	54.1	Low	54.2	Low	154 Å²	154	141.5 Å²	141.5	58%	0.581	65%	0.648	S	S	*	*	H	α-helix	trans	-73.8	-40.5	171.6	-79.2	171.7	176.7	175.9	3.1	111.9	Q186 E187 R188 R193 N194	Q186-R190 WeakPolarHBondContact O-CB 3.41Å; Q186-R190 VanDerWaalsContact O-CG 3.27Å; Q186-R190 WeakPolarHBondContact O-CG 3.33Å; Q186-R190 PolarHBondContact O-N 3.25Å; E187-R190 CarbonylContact O-C 3.57Å; E187-R190 WeakPolarHBondContact O-CA 3.35Å; E187-R190 WeakPolarHBondContact O-CB 3.45Å; E187-R190 PolarHBondContact O-N 3.44Å; E187-R190 VanDerWaalsContact O-N 3.09Å; R188-R190 VanDerWaalsContact C-N 3.31Å; R188-R190 PolarHBondContact O-N 2.81Å; R190-R193 CarbonylContact O-C 3.5Å; R190-R193 PolarHBondContact O-N 3.1Å; R190-R193 VanDerWaalsContact O-N 3.14Å; R190-N194 WeakPolarHBondContact O-CB 3.41Å; R190-N194 PolarHBondContact O-N 2.84Å; R190-N194 PolarHBondContact O-ND2 2.91Å
191	Q	51.4	Low	52.8	Low	124 Å²	124	145.3 Å²	145.3	58%	0.579	66%	0.662	S	S	*	*	H	α-helix	trans	-61.8	-46.2	176.9	-72.7	175	6.7	0	0	111.1	E187 R188 R193 N194	E187-Q191 WeakPolarHBondContact O-CG 3.48Å; E187-Q191 PolarHBondContact O-N 2.88Å; R188-Q191 PolarHBondContact O-N 2.9Å; Q191-R193 PolarHBondContact O-N 2.94Å; Q191-N194 PolarHBondContact O-N 2.86Å
192	N	49.4	Very low	51.4	Low	149 Å²	149	142.5 Å²	142.5	80%	0.797	68%	0.675	S	S	*	*	H	α-helix	trans	-65.6	-19.5	174.2	-100.8	-2.3	0	0	0	114.5	R188	R188-N192 PolarHBondContact O-N 2.85Å
193	R	50.4	Low	50.1	Low	213 Å²	213	143.5 Å²	143.5	80%	0.804	69%	0.691	S	S	*	*	H	α-helix	trans	-88	-17.9	169.9	-92	-178.1	165.9	172.9	-2.2	114.1	M189 R190 Q191	M189-R193 PolarHBondContact O-N 2.82Å; R190-R193 CarbonylContact O-C 3.5Å; R190-R193 PolarHBondContact O-N 3.1Å; R190-R193 VanDerWaalsContact O-N 3.14Å; Q191-R193 PolarHBondContact O-N 2.94Å
194	N	46.4	Very low	49.1	Very low	84 Å²	84	146.4 Å²	146.4	45%	0.449	71%	0.705	S	S	.	*	H	α-helix	trans	-89.4	-14.4	-173.5	-78	-19.9	0	0	0	114.2	R190 Q191 R196 N197	R190-N194 WeakPolarHBondContact O-CB 3.41Å; R190-N194 PolarHBondContact O-N 2.84Å; R190-N194 PolarHBondContact O-ND2 2.91Å; Q191-N194 PolarHBondContact O-N 2.86Å; N194-R196 PolarHBondContact O-N 2.85Å; N194-N197 PolarHBondContact O-N 3.08Å
195	F	41.7	Very low	47.8	Very low	189 Å²	189	145.7 Å²	145.7	83%	0.829	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	4	174.1	-141.7	-93.8	0	0	0	114.6
196	R	43.1	Very low	46.7	Very low	235 Å²	235	148.5 Å²	148.5	89%	0.887	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.7	9.3	176.5	-99.8	-177.7	172.5	179.3	-1.9	114.8	N194	N194-R196 PolarHBondContact O-N 2.85Å
197	N	41.7	Very low	46	Very low	131 Å²	131	147.7 Å²	147.7	70%	0.701	74%	0.736	S	S	*	*			trans	-141.5	18.9	-176.5	-89.4	-57.7	0	0	0	115.4	N194 S199	N194-N197 PolarHBondContact O-N 3.08Å; N197-S199 PolarHBondContact O-N 2.85Å; N197-S199 VanDerWaalsContact O-N 3.08Å
198	T	36.4	Very low	45.7	Very low	124 Å²	124	147.5 Å²	147.5	76%	0.761	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	69.8	-179.7	30.8	0	0	0	0	113.2
199	S	38.5	Very low	45.4	Very low	108 Å²	108	141.2 Å²	141.2	76%	0.755	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-157.9	-3.4	167	61.4	0	0	0	0	117.9	N197	N197-S199 PolarHBondContact O-N 2.85Å; N197-S199 VanDerWaalsContact O-N 3.08Å
200	K	44.7	Very low	45.3	Very low	193 Å²	193	140.7 Å²	140.7	84%	0.839	73%	0.728	S	S	*	*	S	Bend	trans	-135.7	26.5	-167.3	-80.1	-179	176.6	166	0	117.3
201	R	41.2	Very low	45.4	Very low	245 Å²	245	141.5 Å²	141.5	93%	0.925	74%	0.736	S	S	*	*			trans	-125.3	4.2	-175.9	-92.3	-176.7	166.6	-179.6	-5.5	117.9
202	A	41.3	Very low	45.9	Very low	109 Å²	109	140.4 Å²	140.4	90%	0.901	73%	0.732	S	S	*	*	S	Bend	trans	-93.7	11	-175.6	0	0	0	0	0	115.9
203	A	43.6	Very low	46.9	Very low	99 Å²	99	134.8 Å²	134.8	82%	0.818	70%	0.702	S	S	*	*			trans	-122.1	33.6	-165.2	0	0	0	0	0	115.3
204	Q	41.4	Very low	48.1	Very low	187 Å²	187	129 Å²	129	87%	0.874	69%	0.688	S	S	*	*			trans	-135.8	78.1	172.1	-69.4	-173.7	-0.9	0	0	110.4	E206	Q204-E206 PolarHBondContact O-N 2.71Å
205	G	37.3	Very low	49.7	Very low	77 Å²	77	127.8 Å²	127.8	79%	0.794	69%	0.685	S	S	*	*			trans	-73.3	110.4	161.6	0	0	0	0	0	109.2
206	E	43	Very low	51.6	Low	189 Å²	189	122.4 Å²	122.4	88%	0.883	66%	0.663	S	S	*	*			trans	-72.2	136.8	164.9	-70.9	-176.8	150.1	0	0	109.1	Q204	Q204-E206 PolarHBondContact O-N 2.71Å
207	V	47.4	Very low	53.6	Low	94 Å²	94	115.2 Å²	115.2	57%	0.57	64%	0.639	S	S	*	*			trans	-80.5	141.8	-155.3	-173.3	0	0	0	0	111.6	S209	V207-S209 WeakPolarHBondContact CG1-OG 3.19Å; V207-S209 PolarHBondContact O-N 3.47Å; V207-S209 VanDerWaalsContact O-N 3.09Å
208	P	51.7	Low	55.6	Low	102 Å²	102	113.9 Å²	113.9	66%	0.662	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60	-18	179	-26.9	35.7	0	0	0	116.2	D210	P208-D210 PolarHBondContact O-N 2.93Å
209	S	51.8	Low	57.8	Low	50 Å²	50	113 Å²	113	35%	0.35	62%	0.616	S	S	.	*	H	α-helix	trans	-59.6	-41.3	-174.4	50.9	0	0	0	0	114.1	V207 K211 I212 N213	V207-S209 WeakPolarHBondContact CG1-OG 3.19Å; V207-S209 PolarHBondContact O-N 3.47Å; V207-S209 VanDerWaalsContact O-N 3.09Å; S209-K211 VanDerWaalsContact C-N 3.27Å; S209-K211 PolarHBondContact O-N 2.7Å; S209-I212 PolarHBondContact O-N 3.48Å; S209-N213 PolarHBondContact O-N 3.49Å
210	D	54.1	Low	60	Low	98 Å²	98	109.4 Å²	109.4	52%	0.524	59%	0.593	S	S	.	*	H	α-helix	trans	-74.2	-24.8	-166.9	-62.6	0.4	0	0	0	111.4	P208 N214	P208-D210 PolarHBondContact O-N 2.93Å; D210-N214 WeakPolarHBondContact O-CB 3.28Å; D210-N214 PolarHBondContact O-N 3.09Å; D210-N214 PolarHBondContact O-ND2 2.93Å; D210-N214 PolarHBondContact O-OD1 3.25Å
211	K	57.1	Low	62	Low	172 Å²	172	104 Å²	104	75%	0.748	57%	0.572	S	S	*	*	H	α-helix	trans	-68.9	-35.9	173.5	-69.6	-178.3	178.6	179.1	0	112.5	S209 S215	S209-K211 VanDerWaalsContact C-N 3.27Å; S209-K211 PolarHBondContact O-N 2.7Å; K211-S215 WeakPolarHBondContact O-CB 3.23Å; K211-S215 PolarHBondContact O-N 3.31Å; K211-S215 VanDerWaalsContact O-N 3.17Å
212	I	62.3	Low	64.1	Low	100 Å²	100	96.9 Å²	96.9	51%	0.513	55%	0.548	S	S	.	.	H	α-helix	trans	-71.3	-48.9	-178.5	-60.5	173.6	0	0	0	109.8	S209 N214 S215 Q216	S209-I212 PolarHBondContact O-N 3.48Å; I212-N214 PolarHBondContact O-N 3.03Å; I212-S215 PolarHBondContact O-N 3.21Å; I212-S215 VanDerWaalsContact O-N 3.16Å; I212-Q216 PolarHBondContact O-N 3.16Å
213	N	70.6	Confident	66	Low	31 Å²	31	97.5 Å²	97.5	17%	0.166	53%	0.533	C	S	.	.	H	α-helix	trans	-58.9	-46.1	179.1	-62.9	-16.4	0	0	0	111.6	S209 S215 Q216 E217	S209-N213 PolarHBondContact O-N 3.49Å; N213-S215 VanDerWaalsContact C-N 3.31Å; N213-S215 PolarHBondContact O-N 3.12Å; N213-Q216 PolarHBondContact O-N 3.01Å; N213-E217 PolarHBondContact O-N 3.29Å
214	N	74.6	Confident	67.9	Low	93 Å²	93	102 Å²	102	50%	0.497	53%	0.528	S	S	.	.	H	α-helix	trans	-62.8	-37.6	177.8	-67.5	-2.8	0	0	0	112	D210 I212 E217 E218	D210-N214 WeakPolarHBondContact O-CB 3.28Å; D210-N214 PolarHBondContact O-N 3.09Å; D210-N214 PolarHBondContact O-ND2 2.93Å; D210-N214 PolarHBondContact O-OD1 3.25Å; I212-N214 PolarHBondContact O-N 3.03Å; N214-E217 PolarHBondContact O-N 3.43Å; N214-E218 PolarHBondContact O-N 2.65Å
215	S	80.9	Confident	69.8	Low	57 Å²	57	100.9 Å²	100.9	40%	0.399	52%	0.517	S	S	.	.	H	α-helix	trans	-68.4	-35.5	176.7	-170.2	0	0	0	0	112.6	K211 I212 N213 Q219	K211-S215 WeakPolarHBondContact O-CB 3.23Å; K211-S215 PolarHBondContact O-N 3.31Å; K211-S215 VanDerWaalsContact O-N 3.17Å; I212-S215 PolarHBondContact O-N 3.21Å; I212-S215 VanDerWaalsContact O-N 3.16Å; N213-S215 VanDerWaalsContact C-N 3.31Å; N213-S215 PolarHBondContact O-N 3.12Å; S215-Q219 WeakPolarHBondContact O-CB 3.24Å; S215-Q219 VanDerWaalsContact O-CG 3.26Å; S215-Q219 WeakPolarHBondContact O-CG 3.42Å; S215-Q219 PolarHBondContact O-N 3.35Å
216	Q	80.7	Confident	71.8	Confident	77 Å²	77	103.3 Å²	103.3	36%	0.36	51%	0.511	S	S	.	.	H	α-helix	trans	-70	-39.2	174.5	-72.4	178.5	-13.7	0	0	111.6	I212 N213 Q219 A220 Y258	I212-Q216 PolarHBondContact O-N 3.16Å; N213-Q216 PolarHBondContact O-N 3.01Å; Q216-Q219 PolarHBondContact O-N 3.49Å; Q216-A220 WeakPolarHBondContact O-CB 3.43Å; Q216-A220 PolarHBondContact O-N 3.11Å; Q216-Y258 HydrophobicContact CB-CG 4.33Å
217	E	84.8	Confident	72.7	Confident	83 Å²	83	97.2 Å²	97.2	39%	0.388	50%	0.499	S	S	.	.	H	α-helix	trans	-60.3	-48.2	172.8	-177.6	168.4	-161.9	0	0	111.2	N213 N214 Q219 A220 I221 Y258	N213-E217 PolarHBondContact O-N 3.29Å; N214-E217 PolarHBondContact O-N 3.43Å; E217-Q219 VanDerWaalsContact C-N 3.31Å; E217-Q219 PolarHBondContact O-N 2.77Å; E217-A220 PolarHBondContact O-N 3.21Å; E217-I221 HydrophobicContact CG-CD1 3.94Å; E217-I221 VanDerWaalsContact O-CG1 3.27Å; E217-I221 WeakPolarHBondContact O-CG1 3.27Å; E217-I221 PolarHBondContact O-N 2.64Å; E217-Y258 HydrophobicContact CB-CD2 3.57Å; E217-Y258 HydrophobicContact CB-CE2 3.8Å; E217-Y258 HydrophobicContact CB-CG 4.38Å; E217-Y258 HydrophobicContact CG-CD2 4.04Å; E217-Y258 HydrophobicContact CG-CE2 3.78Å
218	E	84	Confident	73.2	Confident	104 Å²	104	99.5 Å²	99.5	49%	0.486	50%	0.504	S	S	.	.	H	α-helix	trans	-58.8	-40.1	174.2	-82.8	-168.5	-148.8	0	0	112.7	N214 K222	N214-E218 PolarHBondContact O-N 2.65Å; E218-K222 VanDerWaalsContact O-CB 3.32Å; E218-K222 WeakPolarHBondContact O-CB 3.39Å; E218-K222 VanDerWaalsContact O-CD 3.3Å; E218-K222 WeakPolarHBondContact O-CD 3.33Å; E218-K222 WeakPolarHBondContact O-CG 3.46Å; E218-K222 PolarHBondContact O-N 3.46Å; E218-K222 IonicContact OE2-NZ 3.9Å; E218-K222 PolarHBondContact OE2-NZ 2.97Å
219	Q	83.2	Confident	73.3	Confident	105 Å²	105	104 Å²	104	49%	0.491	51%	0.513	S	S	.	.	H	α-helix	trans	-64.9	-47.4	176.6	-78.3	169.6	-10.7	0	0	111.4	S215 Q216 E217 I221 K222 E223	S215-Q219 WeakPolarHBondContact O-CB 3.24Å; S215-Q219 VanDerWaalsContact O-CG 3.26Å; S215-Q219 WeakPolarHBondContact O-CG 3.42Å; S215-Q219 PolarHBondContact O-N 3.35Å; Q216-Q219 PolarHBondContact O-N 3.49Å; E217-Q219 VanDerWaalsContact C-N 3.31Å; E217-Q219 PolarHBondContact O-N 2.77Å; Q219-I221 VanDerWaalsContact C-N 3.3Å; Q219-I221 PolarHBondContact O-N 3.33Å; Q219-K222 PolarHBondContact O-N 3.12Å; Q219-K222 VanDerWaalsContact O-N 3.13Å; Q219-E223 WeakPolarHBondContact O-CG 3.48Å; Q219-E223 PolarHBondContact O-N 3.49Å
220	A	84.4	Confident	73.4	Confident	32 Å²	32	112.3 Å²	112.3	26%	0.264	54%	0.537	S	S	.	.	H	α-helix	trans	-60.9	-37.8	177.1	0	0	0	0	0	112.5	Q216 E217 R224 Y258	Q216-A220 WeakPolarHBondContact O-CB 3.43Å; Q216-A220 PolarHBondContact O-N 3.11Å; E217-A220 PolarHBondContact O-N 3.21Å; A220-R224 WeakPolarHBondContact O-CB 3.44Å; A220-R224 PolarHBondContact O-N 3.16Å; A220-R224 VanDerWaalsContact O-N 3.15Å; A220-Y258 HydrophobicContact CB-CE1 3.83Å
221	I	86	Confident	73.2	Confident	79 Å²	79	115.6 Å²	115.6	41%	0.405	55%	0.553	S	S	.	*	H	α-helix	trans	-65.1	-49.3	172.2	-68.8	167.6	0	0	0	110.3	E217 Q219 E223 R224 Y225	E217-I221 HydrophobicContact CG-CD1 3.94Å; E217-I221 VanDerWaalsContact O-CG1 3.27Å; E217-I221 WeakPolarHBondContact O-CG1 3.27Å; E217-I221 PolarHBondContact O-N 2.64Å; Q219-I221 VanDerWaalsContact C-N 3.3Å; Q219-I221 PolarHBondContact O-N 3.33Å; I221-E223 PolarHBondContact O-N 3.14Å; I221-R224 PolarHBondContact O-N 2.85Å; I221-Y225 HydrophobicContact CG2-CD2 3.82Å; I221-Y225 HydrophobicContact CG2-CE2 4.06Å; I221-Y225 WeakPolarHBondContact O-CD2 3.3Å; I221-Y225 PolarHBondContact O-N 3.1Å; I221-Y225 VanDerWaalsContact O-N 3.12Å
222	K	85.6	Confident	72.8	Confident	97 Å²	97	113.3 Å²	113.3	42%	0.422	55%	0.554	S	S	.	*	H	α-helix	trans	-58.5	-48.3	179.3	-75.9	162	-166.5	166	0	111.6	E218 Q219 R224 Y225 L226	E218-K222 VanDerWaalsContact O-CB 3.32Å; E218-K222 WeakPolarHBondContact O-CB 3.39Å; E218-K222 VanDerWaalsContact O-CD 3.3Å; E218-K222 WeakPolarHBondContact O-CD 3.33Å; E218-K222 WeakPolarHBondContact O-CG 3.46Å; E218-K222 PolarHBondContact O-N 3.46Å; E218-K222 IonicContact OE2-NZ 3.9Å; E218-K222 PolarHBondContact OE2-NZ 2.97Å; Q219-K222 PolarHBondContact O-N 3.12Å; Q219-K222 VanDerWaalsContact O-N 3.13Å; K222-R224 VanDerWaalsContact C-N 3.32Å; K222-R224 PolarHBondContact O-N 3.44Å; K222-Y225 PolarHBondContact O-N 3.5Å; K222-L226 HydrophobicContact CB-CD1 3.96Å; K222-L226 HydrophobicContact CG-CD1 4.02Å; K222-L226 VanDerWaalsContact O-CB 3.23Å; K222-L226 WeakPolarHBondContact O-CB 3.49Å; K222-L226 PolarHBondContact O-N 2.97Å
223	E	81.8	Confident	72.2	Confident	122 Å²	122	117.4 Å²	117.4	57%	0.57	57%	0.568	S	S	*	*	H	α-helix	trans	-59.7	-40.3	176.6	-73.6	-173.1	-178.9	0	0	112.6	Q219 I221	Q219-E223 WeakPolarHBondContact O-CG 3.48Å; Q219-E223 PolarHBondContact O-N 3.49Å; I221-E223 PolarHBondContact O-N 3.14Å
224	R	82.9	Confident	71	Confident	193 Å²	193	126.9 Å²	126.9	73%	0.728	60%	0.601	S	S	*	*	H	α-helix	trans	-66.8	-38.1	-179.4	-176.5	177.3	-178.2	176.3	0.9	113.5	A220 I221 K222	A220-R224 WeakPolarHBondContact O-CB 3.44Å; A220-R224 PolarHBondContact O-N 3.16Å; A220-R224 VanDerWaalsContact O-N 3.15Å; I221-R224 PolarHBondContact O-N 2.85Å; K222-R224 VanDerWaalsContact C-N 3.32Å; K222-R224 PolarHBondContact O-N 3.44Å
225	Y	82.3	Confident	69.8	Low	163 Å²	163	133.2 Å²	133.2	64%	0.639	62%	0.618	S	S	*	*	H	α-helix	trans	-106.3	-30.7	-171.2	-64.5	-69.7	0	0	0	114.8	I221 K222 G227	I221-Y225 HydrophobicContact CG2-CD2 3.82Å; I221-Y225 HydrophobicContact CG2-CE2 4.06Å; I221-Y225 WeakPolarHBondContact O-CD2 3.3Å; I221-Y225 PolarHBondContact O-N 3.1Å; I221-Y225 VanDerWaalsContact O-N 3.12Å; K222-Y225 PolarHBondContact O-N 3.5Å; Y225-G227 PolarHBondContact O-N 2.92Å
226	L	78.9	Confident	68.4	Low	129 Å²	129	136.2 Å²	136.2	68%	0.675	64%	0.636	S	S	*	*	S	Bend	trans	-82.4	5.1	-179.3	-64.9	168.8	0	0	0	113.3	K222 Q228	K222-L226 HydrophobicContact CB-CD1 3.96Å; K222-L226 HydrophobicContact CG-CD1 4.02Å; K222-L226 VanDerWaalsContact O-CB 3.23Å; K222-L226 WeakPolarHBondContact O-CB 3.49Å; K222-L226 PolarHBondContact O-N 2.97Å; L226-Q228 PolarHBondContact O-N 2.91Å
227	G	61.3	Low	66.9	Low	61 Å²	61	143.1 Å²	143.1	63%	0.629	66%	0.659	S	S	*	*			trans	60	25.3	168.5	0	0	0	0	0	114.1	Y225 K229	Y225-G227 PolarHBondContact O-N 2.92Å; G227-K229 PolarHBondContact O-N 2.94Å
228	Q	58.6	Low	65.4	Low	141 Å²	141	147.7 Å²	147.7	66%	0.659	67%	0.673	S	S	*	*			trans	-57.1	109	168.3	-74	-168.6	-7.4	0	0	106.7	L226 R230	L226-Q228 PolarHBondContact O-N 2.91Å; Q228-R230 PolarHBondContact O-N 2.73Å
229	K	54.6	Low	63.9	Low	196 Å²	196	150.1 Å²	150.1	85%	0.852	69%	0.688	S	S	*	*			trans	-46	115.9	171	-72.9	178	178.2	176.4	0	105.3	G227 L231	G227-K229 PolarHBondContact O-N 2.94Å; K229-L231 VanDerWaalsContact C-N 3.34Å; K229-L231 PolarHBondContact O-N 3.36Å
230	R	52.5	Low	62.5	Low	226 Å²	226	150.1 Å²	150.1	85%	0.853	69%	0.691	S	S	*	*			trans	-45.8	109.7	170.2	-86.8	-176.7	165.8	-172.8	-5.4	105	Q228 T232	Q228-R230 PolarHBondContact O-N 2.73Å; R230-T232 PolarHBondContact O-N 2.68Å
231	L	50.9	Low	61.2	Low	166 Å²	166	154.9 Å²	154.9	87%	0.869	71%	0.708	S	S	*	*			trans	-57.7	102.1	166.3	-80	168	0	0	0	102.2	K229 K233	K229-L231 VanDerWaalsContact C-N 3.34Å; K229-L231 PolarHBondContact O-N 3.36Å; L231-K233 VanDerWaalsContact C-N 3.33Å; L231-K233 PolarHBondContact O-N 3.45Å
232	T	47.7	Very low	60.5	Low	124 Å²	124	162.3 Å²	162.3	76%	0.761	73%	0.731	S	S	*	*			trans	-53.5	105.8	-175.5	39.3	0	0	0	0	104.4	R230 R234	R230-T232 PolarHBondContact O-N 2.68Å; T232-R234 VanDerWaalsContact O-CA 3.29Å; T232-R234 WeakPolarHBondContact O-CA 3.34Å; T232-R234 PolarHBondContact O-N 2.77Å
233	K	49.4	Very low	60	Low	187 Å²	187	164.3 Å²	164.3	81%	0.813	74%	0.74	S	S	*	*			trans	-42.4	107	-168	-92.5	-170.5	174.8	-174.4	0	104.7	L231 R235	L231-K233 VanDerWaalsContact C-N 3.33Å; L231-K233 PolarHBondContact O-N 3.45Å; K233-R235 PolarHBondContact O-N 2.84Å
234	R	45.2	Very low	59.9	Low	229 Å²	229	167 Å²	167	86%	0.864	75%	0.75	S	S	*	*			trans	-54.6	112	-166.1	-95.5	-174.7	167.9	-178	-2.6	104.1	T232	T232-R234 VanDerWaalsContact O-CA 3.29Å; T232-R234 WeakPolarHBondContact O-CA 3.34Å; T232-R234 PolarHBondContact O-N 2.77Å
235	R	49.8	Very low	59.7	Low	226 Å²	226	162 Å²	162	85%	0.853	74%	0.741	S	S	*	*			trans	-45.6	116.8	-175.8	-86.2	-174.8	170.7	-175.2	-3.1	105.1	K233 R237	K233-R235 PolarHBondContact O-N 2.84Å; R235-R237 PolarHBondContact O-N 3.37Å; R235-R237 VanDerWaalsContact O-N 3.11Å
236	P	52.8	Low	59.7	Low	120 Å²	120	163.2 Å²	163.2	78%	0.779	75%	0.75	S	S	*	*			trans	-52	129.3	-170.6	17.6	-30.1	0	0	0	106.6	R238	P236-R238 PolarHBondContact O-N 2.97Å
237	R	48.5	Very low	60	Low	222 Å²	222	163.5 Å²	163.5	84%	0.838	75%	0.752	S	S	*	*			trans	-48	137.1	-169.7	-76.4	176.5	170.5	163.5	-6.1	108.1	R235 L239	R235-R237 PolarHBondContact O-N 3.37Å; R235-R237 VanDerWaalsContact O-N 3.11Å; R237-L239 PolarHBondContact O-N 3.2Å
238	R	53.5	Low	61	Low	180 Å²	180	171.6 Å²	171.6	68%	0.679	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-56.9	12.8	-173.2	-68.7	177.5	137.2	-177.7	-14.3	116.6	P236 N240 E241	P236-R238 PolarHBondContact O-N 2.97Å; R238-N240 PolarHBondContact O-N 3.3Å; R238-N240 VanDerWaalsContact O-N 3.16Å; R238-E241 HydrophobicContact CB-CG 4Å; R238-E241 WeakPolarHBondContact CD-OE2 3.32Å; R238-E241 HydrophobicContact CG-CG 4.12Å; R238-E241 IonicContact CZ-OE1 2.68Å; R238-E241 VanDerWaalsContact CZ-OE1 3.25Å; R238-E241 IonicContact CZ-OE2 3.77Å; R238-E241 IonicContact NE-OE1 2.77Å; R238-E241 PolarHBondContact NE-OE1 2.66Å; R238-E241 IonicContact NE-OE2 2.73Å; R238-E241 PolarHBondContact NE-OE2 2.75Å; R238-E241 VanDerWaalsContact NE-OE2 3.11Å; R238-E241 IonicContact NH2-OE1 3.45Å; R238-E241 PolarHBondContact NH2-OE1 2.78Å; R238-E241 IonicContact NH2-OE2 3.79Å; R238-E241 WeakPolarHBondContact O-CB 3.34Å; R238-E241 PolarHBondContact O-N 2.81Å
239	L	51.5	Low	62.1	Low	155 Å²	155	169.8 Å²	169.8	81%	0.812	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-52.9	-32.2	174.4	-132.2	72.7	0	0	0	112.5	R237	R237-L239 PolarHBondContact O-N 3.2Å
240	N	54.9	Low	63.5	Low	104 Å²	104	165.9 Å²	165.9	56%	0.556	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-87.7	-1.8	176	-77	11.3	0	0	0	115.2	R238 R242 K243	R238-N240 PolarHBondContact O-N 3.3Å; R238-N240 VanDerWaalsContact O-N 3.16Å; N240-R242 PolarHBondContact O-N 3.09Å; N240-K243 PolarHBondContact O-N 3.18Å
241	E	56.9	Low	64.9	Low	132 Å²	132	158.2 Å²	158.2	62%	0.617	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-62.6	-11.2	176.5	-78.8	-174.6	161.2	0	0	113	R238	R238-E241 HydrophobicContact CB-CG 4Å; R238-E241 WeakPolarHBondContact CD-OE2 3.32Å; R238-E241 HydrophobicContact CG-CG 4.12Å; R238-E241 IonicContact CZ-OE1 2.68Å; R238-E241 VanDerWaalsContact CZ-OE1 3.25Å; R238-E241 IonicContact CZ-OE2 3.77Å; R238-E241 IonicContact NE-OE1 2.77Å; R238-E241 PolarHBondContact NE-OE1 2.66Å; R238-E241 IonicContact NE-OE2 2.73Å; R238-E241 PolarHBondContact NE-OE2 2.75Å; R238-E241 VanDerWaalsContact NE-OE2 3.11Å; R238-E241 IonicContact NH2-OE1 3.45Å; R238-E241 PolarHBondContact NH2-OE1 2.78Å; R238-E241 IonicContact NH2-OE2 3.79Å; R238-E241 WeakPolarHBondContact O-CB 3.34Å; R238-E241 PolarHBondContact O-N 2.81Å
242	R	70.4	Confident	66.4	Low	235 Å²	235	155.4 Å²	155.4	89%	0.887	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-101.1	-11	172.5	-65.4	-179.8	176.5	175.5	-1.7	114.5	N240	N240-R242 PolarHBondContact O-N 3.09Å
243	K	74.9	Confident	68.2	Low	139 Å²	139	153 Å²	153	60%	0.604	70%	0.704	S	S	*	*			trans	-104.5	109.4	-176.8	-173.7	179.8	-179.3	-177	0	109.2	N240 V245	N240-K243 PolarHBondContact O-N 3.18Å; K243-V245 HydrophobicContact CD-CG2 4.36Å; K243-V245 HydrophobicContact CG-CG2 4.25Å; K243-V245 PolarHBondContact O-N 2.76Å; K243-V245 VanDerWaalsContact O-N 3.1Å
244	F	79.9	Confident	69.9	Low	180 Å²	180	150.7 Å²	150.7	79%	0.789	71%	0.706	S	S	*	*			trans	-65.6	108.7	165.5	-62.7	-77.9	0	0	0	108.5	F246	F244-F246 HydrophobicContact CB-CE2 4.13Å; F244-F246 HydrophobicContact CB-CZ 4.22Å
245	V	79	Confident	71.6	Confident	87 Å²	87	143.3 Å²	143.3	53%	0.527	69%	0.689	S	S	.	*			trans	-96.1	118.6	169.4	-168.4	0	0	0	0	106	K243 D247	K243-V245 HydrophobicContact CD-CG2 4.36Å; K243-V245 HydrophobicContact CG-CG2 4.25Å; K243-V245 PolarHBondContact O-N 2.76Å; K243-V245 VanDerWaalsContact O-N 3.1Å; V245-D247 WeakPolarHBondContact CG1-O 3.29Å
246	F	82.6	Confident	72.9	Confident	188 Å²	188	139 Å²	139	83%	0.825	68%	0.678	S	S	*	*			trans	-85.2	-25.3	-176.5	-69	-84.6	0	0	0	112.6	F244	F244-F246 HydrophobicContact CB-CE2 4.13Å; F244-F246 HydrophobicContact CB-CZ 4.22Å
247	D	84.6	Confident	74.3	Confident	135 Å²	135	135.2 Å²	135.2	72%	0.722	65%	0.652	S	S	*	*	S	Bend	trans	-95.4	150.6	176.1	-57.3	-57.6	0	0	0	111.6	V245	V245-D247 WeakPolarHBondContact CG1-O 3.29Å
248	W	83.1	Confident	76	Confident	231 Å²	231	128.3 Å²	128.3	88%	0.875	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-77.2	143	171	-59.7	101.3	0	0	0	110.5
249	D	82	Confident	77.5	Confident	104 Å²	104	121.8 Å²	121.8	56%	0.556	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-69.6	141.5	174.1	-165.7	-23.8	0	0	0	109.5	A251 D252	D249-A251 HydrophobicContact CB-CB 4.48Å; D249-A251 PolarHBondContact O-N 3.08Å; D249-A251 VanDerWaalsContact O-N 3.17Å; D249-A251 PolarHBondContact OD1-N 2.92Å; D249-D252 WeakPolarHBondContact O-CB 3.16Å; D249-D252 PolarHBondContact O-N 3.03Å
250	V	83.2	Confident	79	Confident	114 Å²	114	118.4 Å²	118.4	69%	0.691	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-59.9	-25.1	171.9	-176.5	0	0	0	0	110.6	D252 D253	V250-D252 PolarHBondContact O-N 2.7Å; V250-D253 WeakPolarHBondContact O-CB 3.29Å; V250-D253 PolarHBondContact O-N 2.95Å
251	A	81.9	Confident	80.4	Confident	64 Å²	64	119.7 Å²	119.7	53%	0.529	60%	0.599	S	S	.	*	G	3₁₀ helix	trans	-70.4	-11.9	173.4	0	0	0	0	0	115.1	D249	D249-A251 HydrophobicContact CB-CB 4.48Å; D249-A251 PolarHBondContact O-N 3.08Å; D249-A251 VanDerWaalsContact O-N 3.17Å; D249-A251 PolarHBondContact OD1-N 2.92Å
252	D	82	Confident	81.8	Confident	108 Å²	108	119.5 Å²	119.5	58%	0.578	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-91.8	-3.9	174.3	-68.1	-36.2	0	0	0	112.9	D249 V250	D249-D252 WeakPolarHBondContact O-CB 3.16Å; D249-D252 PolarHBondContact O-N 3.03Å; V250-D252 PolarHBondContact O-N 2.7Å
253	D	85.5	Confident	82.4	Confident	74 Å²	74	114.6 Å²	114.6	40%	0.396	58%	0.578	S	S	.	*			trans	-64.2	133	173.4	178	21.6	0	0	0	111.7	V250 S255 Q256	V250-D253 WeakPolarHBondContact O-CB 3.29Å; V250-D253 PolarHBondContact O-N 2.95Å; D253-S255 WeakPolarHBondContact OD1-CB 3.48Å; D253-S255 PolarHBondContact OD1-N 2.88Å; D253-S255 PolarHBondContact OD1-OG 3.3Å; D253-S255 PolarHBondContact OD2-OG 3.49Å; D253-Q256 WeakPolarHBondContact OD2-CG 3.5Å; D253-Q256 PolarHBondContact OD2-NE2 3.34Å
254	T	85.6	Confident	82.8	Confident	137 Å²	137	115.9 Å²	115.9	84%	0.84	59%	0.586	S	S	*	*			trans	-109.5	-1.4	-178.4	53.3	0	0	0	0	113.3
255	S	81.2	Confident	83	Confident	74 Å²	74	113 Å²	113	52%	0.517	57%	0.574	S	S	.	*			trans	-88.1	-1.3	-173.4	70.3	0	0	0	0	115	D253 D257	D253-S255 WeakPolarHBondContact OD1-CB 3.48Å; D253-S255 PolarHBondContact OD1-N 2.88Å; D253-S255 PolarHBondContact OD1-OG 3.3Å; D253-S255 PolarHBondContact OD2-OG 3.49Å; S255-D257 PolarHBondContact O-N 3.28Å
256	Q	77.1	Confident	83.3	Confident	135 Å²	135	116 Å²	116	63%	0.631	58%	0.581	S	S	*	*			trans	-77.7	65.2	-176.9	-58.6	-175.9	19.8	0	0	112.4	D253	D253-Q256 WeakPolarHBondContact OD2-CG 3.5Å; D253-Q256 PolarHBondContact OD2-NE2 3.34Å
257	D	82.8	Confident	83.4	Confident	42 Å²	42	112.9 Å²	112.9	23%	0.225	57%	0.569	C	S	.	*			trans	-77.3	129.8	178.1	-83.6	-59.2	0	0	0	112.4	S255 Y262 K265	S255-D257 PolarHBondContact O-N 3.28Å; D257-Y262 VanDerWaalsContact CG-CB 3.41Å; D257-Y262 VanDerWaalsContact OD2-CB 3.29Å; D257-Y262 WeakPolarHBondContact OD2-CB 3.37Å; D257-K265 IonicContact OD2-NZ 2.73Å; D257-K265 PolarHBondContact OD2-NZ 2.87Å
258	Y	83.6	Confident	83.4	Confident	77 Å²	77	111.9 Å²	111.9	30%	0.302	56%	0.563	S	S	.	*	S	Bend	trans	-72.7	-28.4	171.3	56.2	-94.3	0	0	0	112.7	Q216 E217 A220	Q216-Y258 HydrophobicContact CB-CG 4.33Å; E217-Y258 HydrophobicContact CB-CD2 3.57Å; E217-Y258 HydrophobicContact CB-CE2 3.8Å; E217-Y258 HydrophobicContact CB-CG 4.38Å; E217-Y258 HydrophobicContact CG-CD2 4.04Å; E217-Y258 HydrophobicContact CG-CE2 3.78Å; A220-Y258 HydrophobicContact CB-CE1 3.83Å
259	N	84.3	Confident	83.5	Confident	42 Å²	42	102.8 Å²	102.8	23%	0.225	53%	0.53	C	S	.	.	S	Bend	trans	-81.6	123.3	-176	-176.9	-27.8	0	0	0	110.6	L261 Y262 K263	N259-L261 PolarHBondContact O-N 3.23Å; N259-L261 VanDerWaalsContact O-N 3.12Å; N259-L261 WeakPolarHBondContact OD1-CB 3.29Å; N259-L261 PolarHBondContact OD1-N 3.2Å; N259-Y262 HydrophobicContact CB-CD2 3.89Å; N259-Y262 PolarHBondContact O-N 2.86Å; N259-K263 PolarHBondContact O-N 3.41Å
260	P	84	Confident	83.7	Confident	84 Å²	84	102.5 Å²	102.5	55%	0.545	52%	0.524	S	S	.	.	H	α-helix	trans	-59.3	-27.8	-177.5	23.7	-34.5	0	0	0	113.7	Y262 K263 E264	P260-Y262 PolarHBondContact O-N 3.5Å; P260-K263 PolarHBondContact O-N 2.93Å; P260-E264 PolarHBondContact O-N 3.15Å
261	L	84.6	Confident	83.7	Confident	132 Å²	132	104.7 Å²	104.7	69%	0.691	53%	0.525	S	S	*	.	H	α-helix	trans	-66	-26.3	176.2	-60.4	177.1	0	0	0	113.1	N259	N259-L261 PolarHBondContact O-N 3.23Å; N259-L261 VanDerWaalsContact O-N 3.12Å; N259-L261 WeakPolarHBondContact OD1-CB 3.29Å; N259-L261 PolarHBondContact OD1-N 3.2Å
262	Y	84.6	Confident	83.7	Confident	127 Å²	127	103.4 Å²	103.4	50%	0.498	52%	0.517	S	S	.	.	H	α-helix	trans	-100.6	-25.1	-179.4	-67.4	-100	0	0	0	112.2	D257 N259 P260 K265	D257-Y262 VanDerWaalsContact CG-CB 3.41Å; D257-Y262 VanDerWaalsContact OD2-CB 3.29Å; D257-Y262 WeakPolarHBondContact OD2-CB 3.37Å; N259-Y262 HydrophobicContact CB-CD2 3.89Å; N259-Y262 PolarHBondContact O-N 2.86Å; P260-Y262 PolarHBondContact O-N 3.5Å; Y262-K265 WeakPolarHBondContact O-CD 3.47Å; Y262-K265 WeakPolarHBondContact O-CE 3.32Å; Y262-K265 VanDerWaalsContact O-CG 3.28Å; Y262-K265 WeakPolarHBondContact O-CG 3.35Å; Y262-K265 PolarHBondContact O-NZ 3.2Å
263	K	83.5	Confident	83.8	Confident	133 Å²	133	107 Å²	107	58%	0.578	52%	0.523	S	S	*	.	H	α-helix	trans	-72.3	-43.7	169.8	-165.6	168.9	-172.4	163.5	0	112.1	N259 P260	N259-K263 PolarHBondContact O-N 3.41Å; P260-K263 PolarHBondContact O-N 2.93Å
264	E	83.8	Confident	83.9	Confident	166 Å²	166	105.2 Å²	105.2	78%	0.776	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	55.7	175.4	-64.4	-176.2	-174.5	0	0	111.2	P260 H266	P260-E264 PolarHBondContact O-N 3.15Å; E264-H266 PolarHBondContact O-N 3.37Å
265	K	84.1	Confident	84	Confident	119 Å²	119	102 Å²	102	52%	0.517	50%	0.497	S	S	.	.			trans	-54.4	121.4	176.9	-80.4	157.6	-175.3	127.1	0	110.4	D257 Y262 Q267	D257-K265 IonicContact OD2-NZ 2.73Å; D257-K265 PolarHBondContact OD2-NZ 2.87Å; Y262-K265 WeakPolarHBondContact O-CD 3.47Å; Y262-K265 WeakPolarHBondContact O-CE 3.32Å; Y262-K265 VanDerWaalsContact O-CG 3.28Å; Y262-K265 WeakPolarHBondContact O-CG 3.35Å; Y262-K265 PolarHBondContact O-NZ 3.2Å; K265-Q267 PolarHBondContact O-N 2.87Å
266	H	85.7	Confident	84.4	Confident	150 Å²	150	101.7 Å²	101.7	69%	0.694	49%	0.489	S	S	*	.			trans	-63.9	108.9	179.9	-175.9	73.1	0	0	0	110.8	E264	E264-H266 PolarHBondContact O-N 3.37Å
267	Q	84.9	Confident	85	Confident	122 Å²	122	98.6 Å²	98.6	57%	0.57	49%	0.493	S	S	*	.			trans	-62.8	138.1	-178.2	-64.6	179.1	1.8	0	0	111.7	K265 Q269	K265-Q267 PolarHBondContact O-N 2.87Å; Q267-Q269 WeakPolarHBondContact O-CG 3.24Å; Q267-Q269 PolarHBondContact O-N 3.3Å
268	I	85.1	Confident	85.4	Confident	114 Å²	114	101 Å²	101	59%	0.585	53%	0.528	S	S	*	.			trans	-67.7	117.4	-176	-57.8	171.3	0	0	0	109.6	F270	I268-F270 HydrophobicContact CB-CD2 4.5Å; I268-F270 HydrophobicContact CB-CE2 4.13Å; I268-F270 HydrophobicContact CB-CZ 4.2Å; I268-F270 HydrophobicContact CG2-CD1 3.86Å; I268-F270 HydrophobicContact CG2-CD2 4.05Å; I268-F270 HydrophobicContact CG2-CE1 3.75Å; I268-F270 HydrophobicContact CG2-CE2 3.94Å; I268-F270 HydrophobicContact CG2-CG 4.01Å; I268-F270 HydrophobicContact CG2-CZ 3.8Å; I268-F270 WeakPolarHBondContact O-CD2 3.38Å
269	Q	83.3	Confident	85.6	Confident	41 Å²	41	101.3 Å²	101.3	19%	0.192	53%	0.534	C	S	.	.			trans	-88.7	1.4	-173.7	-56.7	-162.9	-9.9	0	0	114.8	Q267 F271 G272 I288 Y292	Q267-Q269 WeakPolarHBondContact O-CG 3.24Å; Q267-Q269 PolarHBondContact O-N 3.3Å; Q269-F271 VanDerWaalsContact C-N 3.3Å; Q269-F271 PolarHBondContact O-N 2.83Å; Q269-G272 WeakPolarHBondContact O-CA 3.42Å; Q269-G272 PolarHBondContact O-N 2.82Å; Q269-I288 HydrophobicContact CB-CG2 3.94Å; Q269-I288 HydrophobicContact CG-CG2 3.85Å; Q269-Y292 HydrophobicContact CB-CD2 4.14Å; Q269-Y292 HydrophobicContact CB-CE2 3.66Å
270	F	86.2	Confident	85.9	Confident	97 Å²	97	103.6 Å²	103.6	43%	0.425	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	37.3	50.4	177.5	-60.7	-75.2	0	0	0	115.5	I268 G272 R273 G274 I276	I268-F270 HydrophobicContact CB-CD2 4.5Å; I268-F270 HydrophobicContact CB-CE2 4.13Å; I268-F270 HydrophobicContact CB-CZ 4.2Å; I268-F270 HydrophobicContact CG2-CD1 3.86Å; I268-F270 HydrophobicContact CG2-CD2 4.05Å; I268-F270 HydrophobicContact CG2-CE1 3.75Å; I268-F270 HydrophobicContact CG2-CE2 3.94Å; I268-F270 HydrophobicContact CG2-CG 4.01Å; I268-F270 HydrophobicContact CG2-CZ 3.8Å; I268-F270 WeakPolarHBondContact O-CD2 3.38Å; F270-G272 PolarHBondContact O-N 3Å; F270-R273 PolarHBondContact O-N 3.23Å; F270-G274 VanDerWaalsContact CB-CA 3.45Å; F270-G274 PolarHBondContact O-N 2.71Å; F270-I276 HydrophobicContact CE2-CG1 4.45Å
271	F	84.2	Confident	86	Confident	161 Å²	161	103.6 Å²	103.6	71%	0.706	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	54.6	21.1	-177.4	-54.6	-79.8	0	0	0	115.6	Q269 R273 Y292	Q269-F271 VanDerWaalsContact C-N 3.3Å; Q269-F271 PolarHBondContact O-N 2.83Å; F271-R273 VanDerWaalsContact C-N 3.27Å; F271-R273 PolarHBondContact O-N 3.21Å; F271-Y292 HydrophobicContact CB-CE1 4.46Å
272	G	81.1	Confident	86.1	Confident	36 Å²	36	102.4 Å²	102.4	37%	0.371	53%	0.53	S	S	.	.	G	3₁₀ helix	trans	69.1	19.2	-173.7	0	0	0	0	0	114.3	Q269 F270	Q269-G272 WeakPolarHBondContact O-CA 3.42Å; Q269-G272 PolarHBondContact O-N 2.82Å; F270-G272 PolarHBondContact O-N 3Å
273	R	84.4	Confident	86.2	Confident	185 Å²	185	101.1 Å²	101.1	70%	0.698	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.8	-35.8	-175.2	-63.9	-175.5	-176.7	-171.4	1.6	114.1	F270 F271 H275	F270-R273 PolarHBondContact O-N 3.23Å; F271-R273 VanDerWaalsContact C-N 3.27Å; F271-R273 PolarHBondContact O-N 3.21Å; R273-H275 PolarHBondContact O-CE1 3.19Å; R273-H275 PolarHBondContact O-ND1 3.06Å
274	G	87.1	Confident	86.4	Confident	36 Å²	36	95.1 Å²	95.1	37%	0.371	50%	0.502	S	S	.	.			trans	-79.5	158.3	169.7	0	0	0	0	0	111.7	F270	F270-G274 VanDerWaalsContact CB-CA 3.45Å; F270-G274 PolarHBondContact O-N 2.71Å
275	H	88.3	Confident	86.5	Confident	70 Å²	70	92.2 Å²	92.2	32%	0.324	49%	0.487	S	S	.	.			trans	-136	150.5	-178.3	-56.4	81.2	0	0	0	108.2	R273 I281 K285	R273-H275 PolarHBondContact O-CE1 3.19Å; R273-H275 PolarHBondContact O-ND1 3.06Å; H275-I281 HydrophobicContact CB-CG1 4.42Å; H275-K285 VanDerWaalsContact NE2-CE 3.34Å; H275-K285 WeakPolarHBondContact NE2-CE 3.11Å
276	I	90.2	Very high	86.5	Confident	67 Å²	67	94.3 Å²	94.3	34%	0.344	50%	0.496	S	S	.	.			trans	-69.4	137	173.3	-58.1	170.7	0	0	0	108.2	F270 I279 Q284	F270-I276 HydrophobicContact CE2-CG1 4.45Å; I276-I279 HydrophobicContact CB-CD1 4.2Å; I276-I279 HydrophobicContact CG2-CD1 3.87Å; I276-I279 HydrophobicContact CG2-CG1 4.45Å; I276-Q284 PolarHBondContact O-NE2 3.15Å
277	G	90.3	Very high	86.3	Confident	70 Å²	70	92.2 Å²	92.2	72%	0.722	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	146.7	177.7	0	0	0	0	0	112.4	I279	G277-I279 VanDerWaalsContact C-N 3.27Å; G277-I279 PolarHBondContact O-N 3.37Å
278	G	89.6	Confident	85.9	Confident	92 Å²	92	88 Å²	88	95%	0.948	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	-17.7	175.5	0	0	0	0	0	116.6
279	I	88.9	Confident	85.3	Confident	83 Å²	83	83.3 Å²	83.3	43%	0.426	45%	0.448	S	S	.	.	S	Bend	trans	-97.6	142.1	-179.9	-53.4	174.1	0	0	0	110.1	I276 G277 I281 Q284	I276-I279 HydrophobicContact CB-CD1 4.2Å; I276-I279 HydrophobicContact CG2-CD1 3.87Å; I276-I279 HydrophobicContact CG2-CG1 4.45Å; G277-I279 VanDerWaalsContact C-N 3.27Å; G277-I279 PolarHBondContact O-N 3.37Å; I279-I281 PolarHBondContact O-N 2.73Å; I279-I281 VanDerWaalsContact O-N 3.09Å; I279-Q284 HydrophobicContact CB-CG 4.16Å; I279-Q284 HydrophobicContact CG2-CG 3.76Å; I279-Q284 PolarHBondContact O-NE2 2.99Å
280	D	89.6	Confident	85.2	Confident	91 Å²	91	89.8 Å²	89.8	49%	0.487	47%	0.47	S	S	.	.			trans	-55.4	118.5	177.7	-178.8	4.1	0	0	0	111.8	K282 Q283 Q284	D280-K282 PolarHBondContact O-N 2.63Å; D280-K282 WeakPolarHBondContact OD1-CB 3.21Å; D280-K282 PolarHBondContact OD1-N 3.02Å; D280-Q283 HydrophobicContact CB-CB 4.28Å; D280-Q283 PolarHBondContact O-N 2.6Å; D280-Q283 VanDerWaalsContact O-N 3.11Å; D280-Q284 WeakPolarHBondContact O-CG 3.14Å; D280-Q284 PolarHBondContact O-N 2.81Å
281	I	87.3	Confident	85.1	Confident	83 Å²	83	91 Å²	91	43%	0.426	48%	0.475	S	S	.	.	H	α-helix	trans	-53.1	-34.6	176.6	-68.3	167	0	0	0	111.8	H275 I279 K285	H275-I281 HydrophobicContact CB-CG1 4.42Å; I279-I281 PolarHBondContact O-N 2.73Å; I279-I281 VanDerWaalsContact O-N 3.09Å; I281-K285 HydrophobicContact CG2-CD 4.08Å; I281-K285 VanDerWaalsContact CG2-CE 3.43Å; I281-K285 VanDerWaalsContact CG2-NZ 3.32Å; I281-K285 WeakPolarHBondContact O-CB 3.5Å; I281-K285 WeakPolarHBondContact O-CD 3.47Å; I281-K285 WeakPolarHBondContact O-CG 3.41Å; I281-K285 PolarHBondContact O-N 3.38Å
282	K	86.2	Confident	85.2	Confident	108 Å²	108	85.8 Å²	85.8	47%	0.47	45%	0.452	S	S	.	.	H	α-helix	trans	-70.4	-42.8	178.9	-65.9	176.6	-179.4	170.4	0	111.4	D280 K286	D280-K282 PolarHBondContact O-N 2.63Å; D280-K282 WeakPolarHBondContact OD1-CB 3.21Å; D280-K282 PolarHBondContact OD1-N 3.02Å; K282-K286 PolarHBondContact O-N 3.46Å
283	Q	87.3	Confident	85.3	Confident	100 Å²	100	87.5 Å²	87.5	47%	0.467	46%	0.458	S	S	.	.	H	α-helix	trans	-62.8	-50.7	173.5	-177.8	173.8	-3.5	0	0	111	D280 K285 K286 E287	D280-Q283 HydrophobicContact CB-CB 4.28Å; D280-Q283 PolarHBondContact O-N 2.6Å; D280-Q283 VanDerWaalsContact O-N 3.11Å; Q283-K285 VanDerWaalsContact C-N 3.3Å; Q283-K285 PolarHBondContact O-N 3.13Å; Q283-K286 WeakPolarHBondContact O-CB 3.39Å; Q283-K286 PolarHBondContact O-N 2.93Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.44Å; Q283-E287 PolarHBondContact NE2-OE1 3.33Å; Q283-E287 PolarHBondContact O-N 3.07Å
284	Q	87.4	Confident	85.5	Confident	6 Å²	6	85.9 Å²	85.9	3%	0.028	46%	0.456	C	S	.	.	H	α-helix	trans	-54	-43.5	177.8	-69.2	-172.7	61.1	0	0	112.7	I276 I279 D280 K286 E287 I288	I276-Q284 PolarHBondContact O-NE2 3.15Å; I279-Q284 HydrophobicContact CB-CG 4.16Å; I279-Q284 HydrophobicContact CG2-CG 3.76Å; I279-Q284 PolarHBondContact O-NE2 2.99Å; D280-Q284 WeakPolarHBondContact O-CG 3.14Å; D280-Q284 PolarHBondContact O-N 2.81Å; Q284-K286 VanDerWaalsContact C-N 3.32Å; Q284-K286 PolarHBondContact O-N 3.41Å; Q284-E287 PolarHBondContact O-N 3.35Å; Q284-I288 HydrophobicContact CB-CD1 4.39Å; Q284-I288 WeakPolarHBondContact O-CB 3.43Å; Q284-I288 PolarHBondContact O-N 3.2Å
285	K	85.1	Confident	85.5	Confident	105 Å²	105	86.5 Å²	86.5	46%	0.457	45%	0.45	S	S	.	.	H	α-helix	trans	-62.2	-35.9	177.2	-77.1	167	-177	166	0	113.2	H275 I281 Q283 G289	H275-K285 VanDerWaalsContact NE2-CE 3.34Å; H275-K285 WeakPolarHBondContact NE2-CE 3.11Å; I281-K285 HydrophobicContact CG2-CD 4.08Å; I281-K285 VanDerWaalsContact CG2-CE 3.43Å; I281-K285 VanDerWaalsContact CG2-NZ 3.32Å; I281-K285 WeakPolarHBondContact O-CB 3.5Å; I281-K285 WeakPolarHBondContact O-CD 3.47Å; I281-K285 WeakPolarHBondContact O-CG 3.41Å; I281-K285 PolarHBondContact O-N 3.38Å; Q283-K285 VanDerWaalsContact C-N 3.3Å; Q283-K285 PolarHBondContact O-N 3.13Å; K285-G289 PolarHBondContact O-N 2.83Å
286	K	84.3	Confident	85.4	Confident	163 Å²	163	85.3 Å²	85.3	71%	0.709	45%	0.446	S	S	*	.	H	α-helix	trans	-69.1	-34.3	-179.9	-170.8	-177.6	179	-173.9	0	112.2	K282 Q283 Q284	K282-K286 PolarHBondContact O-N 3.46Å; Q283-K286 WeakPolarHBondContact O-CB 3.39Å; Q283-K286 PolarHBondContact O-N 2.93Å; Q284-K286 VanDerWaalsContact C-N 3.32Å; Q284-K286 PolarHBondContact O-N 3.41Å
287	E	82.1	Confident	85.2	Confident	107 Å²	107	88.5 Å²	88.5	50%	0.5	46%	0.46	S	S	.	.	H	α-helix	trans	-87	-59.2	-178.4	-67.3	167.7	-166.9	0	0	111.5	Q283 Q284	Q283-E287 WeakPolarHBondContact CG-OE1 3.44Å; Q283-E287 PolarHBondContact NE2-OE1 3.33Å; Q283-E287 PolarHBondContact O-N 3.07Å; Q284-E287 PolarHBondContact O-N 3.35Å
288	I	76.7	Confident	85.1	Confident	32 Å²	32	89.6 Å²	89.6	16%	0.164	46%	0.457	C	S	.	.	H	α-helix	trans	-81.7	-33.2	-168.6	-56.9	174.6	0	0	0	112.3	Q269 Q284 R290	Q269-I288 HydrophobicContact CB-CG2 3.94Å; Q269-I288 HydrophobicContact CG-CG2 3.85Å; Q284-I288 HydrophobicContact CB-CD1 4.39Å; Q284-I288 WeakPolarHBondContact O-CB 3.43Å; Q284-I288 PolarHBondContact O-N 3.2Å; I288-R290 PolarHBondContact O-N 2.67Å
289	G	71	Confident	85.1	Confident	16 Å²	16	94.4 Å²	94.4	17%	0.165	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-22	-166.8	0	0	0	0	0	115.9	K285 F291 Y292 S293	K285-G289 PolarHBondContact O-N 2.83Å; G289-F291 VanDerWaalsContact C-N 3.29Å; G289-F291 PolarHBondContact O-N 3.35Å; G289-F291 VanDerWaalsContact O-N 3.1Å; G289-Y292 PolarHBondContact O-N 2.99Å; G289-S293 WeakPolarHBondContact O-CB 3.43Å; G289-S293 PolarHBondContact O-N 3.39Å; G289-S293 PolarHBondContact O-OG 3.37Å; G289-S293 VanDerWaalsContact O-OG 3.07Å
290	R	81.5	Confident	85	Confident	178 Å²	178	93 Å²	93	67%	0.672	44%	0.435	S	S	*	.	H	α-helix	trans	-56.1	-35.1	-166.8	-61.3	-177.7	-174.7	-175.7	2.3	114.8	I288 K294	I288-R290 PolarHBondContact O-N 2.67Å; R290-K294 WeakPolarHBondContact O-CG 3.34Å
291	F	84.9	Confident	85	Confident	121 Å²	121	91 Å²	91	53%	0.531	43%	0.428	S	S	.	.	H	α-helix	trans	-73.6	-55.3	179.8	176.2	-104.6	0	0	0	111.4	G289 S293 K294 L295	G289-F291 VanDerWaalsContact C-N 3.29Å; G289-F291 PolarHBondContact O-N 3.35Å; G289-F291 VanDerWaalsContact O-N 3.1Å; F291-S293 PolarHBondContact O-N 3.16Å; F291-K294 PolarHBondContact O-N 3.44Å; F291-L295 HydrophobicContact CE1-CD2 4.37Å; F291-L295 PolarHBondContact O-N 2.88Å
292	Y	86.3	Confident	85	Confident	52 Å²	52	92.5 Å²	92.5	20%	0.204	44%	0.437	C	S	.	.	H	α-helix	trans	-68.2	-31.3	-179.3	-77.8	-82.1	0	0	0	113.2	Q269 F271 G289 L295 L296	Q269-Y292 HydrophobicContact CB-CD2 4.14Å; Q269-Y292 HydrophobicContact CB-CE2 3.66Å; F271-Y292 HydrophobicContact CB-CE1 4.46Å; G289-Y292 PolarHBondContact O-N 2.99Å; Y292-L295 HydrophobicContact CD1-CD2 4.13Å; Y292-L295 HydrophobicContact CE1-CD2 4.22Å; Y292-L295 PolarHBondContact O-N 3.28Å; Y292-L296 WeakPolarHBondContact O-CB 3.39Å; Y292-L296 VanDerWaalsContact O-CG 3.26Å; Y292-L296 WeakPolarHBondContact O-CG 3.36Å; Y292-L296 PolarHBondContact O-N 3.35Å
293	S	83.5	Confident	85.1	Confident	73 Å²	73	92 Å²	92	51%	0.51	44%	0.444	S	S	.	.	H	α-helix	trans	-57.4	-50.6	172.1	-67.5	0	0	0	0	111.7	G289 F291 L295 L296 E297	G289-S293 WeakPolarHBondContact O-CB 3.43Å; G289-S293 PolarHBondContact O-N 3.39Å; G289-S293 PolarHBondContact O-OG 3.37Å; G289-S293 VanDerWaalsContact O-OG 3.07Å; F291-S293 PolarHBondContact O-N 3.16Å; S293-L295 VanDerWaalsContact C-N 3.34Å; S293-L295 PolarHBondContact O-N 3.21Å; S293-L296 PolarHBondContact O-N 2.91Å; S293-E297 VanDerWaalsContact O-CB 3.31Å; S293-E297 WeakPolarHBondContact O-CB 3.47Å; S293-E297 PolarHBondContact O-N 2.66Å
294	K	87.3	Confident	85.2	Confident	151 Å²	151	91.9 Å²	91.9	66%	0.657	44%	0.443	S	S	*	.	H	α-helix	trans	-64.1	-37.8	176.6	-70.5	177.6	178.4	-179.4	0	112.5	R290 F291 S298	R290-K294 WeakPolarHBondContact O-CG 3.34Å; F291-K294 PolarHBondContact O-N 3.44Å; K294-S298 PolarHBondContact O-N 3.1Å; K294-S298 VanDerWaalsContact O-N 3.16Å; K294-S298 PolarHBondContact O-OG 2.88Å
295	L	88	Confident	85.3	Confident	48 Å²	48	95.8 Å²	95.8	25%	0.251	46%	0.46	S	S	.	.	H	α-helix	trans	-67.4	-40	178.1	-173.8	65.2	0	0	0	112.1	F291 Y292 S293 S298 R299	F291-L295 HydrophobicContact CE1-CD2 4.37Å; F291-L295 PolarHBondContact O-N 2.88Å; Y292-L295 HydrophobicContact CD1-CD2 4.13Å; Y292-L295 HydrophobicContact CE1-CD2 4.22Å; Y292-L295 PolarHBondContact O-N 3.28Å; S293-L295 VanDerWaalsContact C-N 3.34Å; S293-L295 PolarHBondContact O-N 3.21Å; L295-S298 PolarHBondContact O-OG 2.8Å; L295-R299 WeakPolarHBondContact O-CB 3.3Å; L295-R299 WeakPolarHBondContact O-CG 3.44Å; L295-R299 PolarHBondContact O-N 3.05Å
296	L	86.2	Confident	85.5	Confident	45 Å²	45	95.6 Å²	95.6	24%	0.236	47%	0.467	C	S	.	.	H	α-helix	trans	-74	-36.9	177.8	-71.4	168.9	0	0	0	112.1	Y292 S293 S298 R299 R300	Y292-L296 WeakPolarHBondContact O-CB 3.39Å; Y292-L296 VanDerWaalsContact O-CG 3.26Å; Y292-L296 WeakPolarHBondContact O-CG 3.36Å; Y292-L296 PolarHBondContact O-N 3.35Å; S293-L296 PolarHBondContact O-N 2.91Å; L296-S298 VanDerWaalsContact C-N 3.31Å; L296-S298 PolarHBondContact O-N 3.12Å; L296-R299 PolarHBondContact O-N 3.4Å; L296-R300 WeakPolarHBondContact O-CB 3.17Å; L296-R300 WeakPolarHBondContact O-CD 3.49Å; L296-R300 VanDerWaalsContact O-CG 3.24Å; L296-R300 WeakPolarHBondContact O-CG 3.07Å; L296-R300 PolarHBondContact O-N 3.07Å
297	E	85.3	Confident	85.8	Confident	135 Å²	135	94.2 Å²	94.2	63%	0.631	46%	0.463	S	S	*	.	H	α-helix	trans	-60.8	-39.7	174.9	-176.2	171.1	-146.6	0	0	112.1	S293 K305	S293-E297 VanDerWaalsContact O-CB 3.31Å; S293-E297 WeakPolarHBondContact O-CB 3.47Å; S293-E297 PolarHBondContact O-N 2.66Å; E297-K305 WeakPolarHBondContact O-CE 3.23Å
298	S	88	Confident	85.9	Confident	93 Å²	93	91 Å²	91	65%	0.65	45%	0.448	S	S	*	.	H	α-helix	trans	-78.1	-20.7	177.2	56.5	0	0	0	0	115	K294 L295 L296	K294-S298 PolarHBondContact O-N 3.1Å; K294-S298 VanDerWaalsContact O-N 3.16Å; K294-S298 PolarHBondContact O-OG 2.88Å; L295-S298 PolarHBondContact O-OG 2.8Å; L296-S298 VanDerWaalsContact C-N 3.31Å; L296-S298 PolarHBondContact O-N 3.12Å
299	R	89.8	Confident	86.6	Confident	192 Å²	192	97.3 Å²	97.3	73%	0.725	48%	0.475	S	S	*	.	H	α-helix	trans	-102.2	-22.8	-176.3	-73.9	-176	177.5	-165	1	115.8	L295 L296	L295-R299 WeakPolarHBondContact O-CB 3.3Å; L295-R299 WeakPolarHBondContact O-CG 3.44Å; L295-R299 PolarHBondContact O-N 3.05Å; L296-R299 PolarHBondContact O-N 3.4Å
300	R	88.2	Confident	87.6	Confident	54 Å²	54	104.7 Å²	104.7	20%	0.204	50%	0.502	C	S	.	.	S	Bend	trans	-71.7	138	-177.5	-79.2	167.4	168	156.1	-10.9	111.2	L296 Q304 K305 E308	L296-R300 WeakPolarHBondContact O-CB 3.17Å; L296-R300 WeakPolarHBondContact O-CD 3.49Å; L296-R300 VanDerWaalsContact O-CG 3.24Å; L296-R300 WeakPolarHBondContact O-CG 3.07Å; L296-R300 PolarHBondContact O-N 3.07Å; R300-Q304 HydrophobicContact CB-CB 4.02Å; R300-Q304 HydrophobicContact CG-CB 4.11Å; R300-K305 HydrophobicContact CB-CG 3.79Å; R300-K305 VanDerWaalsContact O-CE 3.22Å; R300-K305 WeakPolarHBondContact O-CE 3.38Å; R300-E308 IonicContact CZ-OE1 2.75Å; R300-E308 IonicContact NH1-OE1 2.62Å; R300-E308 IonicContact NH2-OE1 2.78Å; R300-E308 PolarHBondContact NH2-OE1 2.82Å; R300-E308 IonicContact NH2-OE2 3.39Å
301	S	88.3	Confident	88	Confident	49 Å²	49	102.2 Å²	102.2	34%	0.343	49%	0.493	S	S	.	.			trans	-63.4	159.7	163.1	66.5	0	0	0	0	110.5	T303 Q304 K305	S301-T303 VanDerWaalsContact C-N 3.25Å; S301-T303 PolarHBondContact O-N 3.48Å; S301-T303 PolarHBondContact OG-OG1 3.47Å; S301-Q304 WeakPolarHBondContact O-CB 3.39Å; S301-Q304 PolarHBondContact O-N 2.93Å; S301-Q304 VanDerWaalsContact OG-CG 3.25Å; S301-Q304 WeakPolarHBondContact OG-CG 3.46Å; S301-Q304 PolarHBondContact OG-N 3.15Å; S301-K305 WeakPolarHBondContact O-CG 3.35Å; S301-K305 PolarHBondContact O-N 3.02Å
302	D	87.9	Confident	88.2	Confident	114 Å²	114	100.7 Å²	100.7	61%	0.61	49%	0.49	S	S	*	.	H	α-helix	trans	-64.8	-32.1	-179.4	-59.4	-44.6	0	0	0	112.3	Q304 K305 V306	D302-Q304 PolarHBondContact O-N 3.08Å; D302-K305 PolarHBondContact O-N 2.88Å; D302-K305 IonicContact OD1-NZ 2.67Å; D302-K305 PolarHBondContact OD1-NZ 2.84Å; D302-V306 WeakPolarHBondContact O-CG2 3.32Å; D302-V306 PolarHBondContact O-N 2.94Å
303	T	88.9	Confident	88.4	Confident	99 Å²	99	101.1 Å²	101.1	61%	0.607	50%	0.5	S	S	*	.	H	α-helix	trans	-59	-44	168.9	51.2	0	0	0	0	112.5	S301 V306 Q307	S301-T303 VanDerWaalsContact C-N 3.25Å; S301-T303 PolarHBondContact O-N 3.48Å; S301-T303 PolarHBondContact OG-OG1 3.47Å; T303-V306 PolarHBondContact O-N 2.79Å; T303-Q307 WeakPolarHBondContact O-CG 3.49Å; T303-Q307 PolarHBondContact O-N 2.9Å
304	Q	89.2	Confident	88.9	Confident	97 Å²	97	99 Å²	99	45%	0.453	49%	0.49	S	S	.	.	H	α-helix	trans	-70	-34.1	176.1	-71.1	170.6	3.1	0	0	112.6	R300 S301 D302 Q307 E308	R300-Q304 HydrophobicContact CB-CB 4.02Å; R300-Q304 HydrophobicContact CG-CB 4.11Å; S301-Q304 WeakPolarHBondContact O-CB 3.39Å; S301-Q304 PolarHBondContact O-N 2.93Å; S301-Q304 VanDerWaalsContact OG-CG 3.25Å; S301-Q304 WeakPolarHBondContact OG-CG 3.46Å; S301-Q304 PolarHBondContact OG-N 3.15Å; D302-Q304 PolarHBondContact O-N 3.08Å; Q304-Q307 PolarHBondContact O-N 3.48Å; Q304-E308 WeakPolarHBondContact O-CB 3.44Å; Q304-E308 PolarHBondContact O-N 3.33Å
305	K	88	Confident	89	Confident	87 Å²	87	93.3 Å²	93.3	38%	0.378	47%	0.468	S	S	.	.	H	α-helix	trans	-63	-42.6	173	-67.5	175.6	-166.2	153	0	110.9	E297 R300 S301 D302 E308 K309	E297-K305 WeakPolarHBondContact O-CE 3.23Å; R300-K305 HydrophobicContact CB-CG 3.79Å; R300-K305 VanDerWaalsContact O-CE 3.22Å; R300-K305 WeakPolarHBondContact O-CE 3.38Å; S301-K305 WeakPolarHBondContact O-CG 3.35Å; S301-K305 PolarHBondContact O-N 3.02Å; D302-K305 PolarHBondContact O-N 2.88Å; D302-K305 IonicContact OD1-NZ 2.67Å; D302-K305 PolarHBondContact OD1-NZ 2.84Å; K305-E308 PolarHBondContact O-N 3.17Å; K305-K309 WeakPolarHBondContact O-CB 3.36Å; K305-K309 PolarHBondContact O-N 2.86Å
306	V	90.1	Very high	89.2	Confident	102 Å²	102	93.4 Å²	93.4	62%	0.618	48%	0.476	S	S	*	.	H	α-helix	trans	-64.4	-45.6	175.6	171.8	0	0	0	0	111.5	D302 T303 E308 K309 K310	D302-V306 WeakPolarHBondContact O-CG2 3.32Å; D302-V306 PolarHBondContact O-N 2.94Å; T303-V306 PolarHBondContact O-N 2.79Å; V306-E308 PolarHBondContact O-N 3.27Å; V306-K309 PolarHBondContact O-N 3.36Å; V306-K310 PolarHBondContact O-N 3.42Å
307	Q	89.8	Confident	89.5	Confident	133 Å²	133	98.5 Å²	98.5	62%	0.621	50%	0.496	S	S	*	.	H	α-helix	trans	-59.6	-45.4	175.5	-73.7	176.1	-5.3	0	0	112.3	T303 Q304 K310 R311	T303-Q307 WeakPolarHBondContact O-CG 3.49Å; T303-Q307 PolarHBondContact O-N 2.9Å; Q304-Q307 PolarHBondContact O-N 3.48Å; Q307-K310 WeakPolarHBondContact O-CB 3.38Å; Q307-K310 PolarHBondContact O-N 3.2Å; Q307-R311 PolarHBondContact O-N 3.42Å
308	E	85.9	Confident	89.8	Confident	39 Å²	39	100.2 Å²	100.2	18%	0.182	50%	0.497	C	S	.	.	H	α-helix	trans	-64.9	-41.4	176.4	179.6	74.1	153.5	0	0	111.7	R300 Q304 K305 V306 K310 R311 L312	R300-E308 IonicContact CZ-OE1 2.75Å; R300-E308 IonicContact NH1-OE1 2.62Å; R300-E308 IonicContact NH2-OE1 2.78Å; R300-E308 PolarHBondContact NH2-OE1 2.82Å; R300-E308 IonicContact NH2-OE2 3.39Å; Q304-E308 WeakPolarHBondContact O-CB 3.44Å; Q304-E308 PolarHBondContact O-N 3.33Å; K305-E308 PolarHBondContact O-N 3.17Å; V306-E308 PolarHBondContact O-N 3.27Å; E308-K310 VanDerWaalsContact C-N 3.28Å; E308-K310 PolarHBondContact O-N 3.14Å; E308-R311 VanDerWaalsContact CD-NH2 3.3Å; E308-R311 PolarHBondContact O-N 3.26Å; E308-R311 VanDerWaalsContact O-N 3.16Å; E308-R311 IonicContact OE1-CZ 3.85Å; E308-R311 IonicContact OE1-NE 2.71Å; E308-R311 IonicContact OE1-NH2 2.63Å; E308-R311 PolarHBondContact OE1-NH2 3.02Å; E308-R311 IonicContact OE2-CZ 2.7Å; E308-R311 IonicContact OE2-NE 3.33Å; E308-R311 PolarHBondContact OE2-NE 3.17Å; E308-R311 IonicContact OE2-NH2 3.07Å; E308-R311 PolarHBondContact OE2-NH2 2.8Å; E308-L312 HydrophobicContact CG-CD1 3.84Å; E308-L312 HydrophobicContact CG-CG 4.15Å; E308-L312 WeakPolarHBondContact O-CB 3.27Å; E308-L312 WeakPolarHBondContact O-CG 3.13Å; E308-L312 PolarHBondContact O-N 2.77Å
309	K	90.1	Very high	89.9	Confident	165 Å²	165	99.1 Å²	99.1	72%	0.717	48%	0.481	S	S	*	.	H	α-helix	trans	-60	-39.7	175.8	-171.1	177.9	-179.5	-178.1	0	111.1	K305 V306 S313	K305-K309 WeakPolarHBondContact O-CB 3.36Å; K305-K309 PolarHBondContact O-N 2.86Å; V306-K309 PolarHBondContact O-N 3.36Å; K309-S313 WeakPolarHBondContact O-CB 3.17Å; K309-S313 PolarHBondContact O-N 2.9Å
310	K	92.2	Very high	90	Very high	171 Å²	171	92.8 Å²	92.8	74%	0.743	47%	0.47	S	S	*	.	H	α-helix	trans	-63.6	-45.4	172.9	-171.5	176.9	-179	178.5	0	111.6	V306 Q307 E308 S313 G314	V306-K310 PolarHBondContact O-N 3.42Å; Q307-K310 WeakPolarHBondContact O-CB 3.38Å; Q307-K310 PolarHBondContact O-N 3.2Å; E308-K310 VanDerWaalsContact C-N 3.28Å; E308-K310 PolarHBondContact O-N 3.14Å; K310-S313 PolarHBondContact O-N 3.12Å; K310-G314 PolarHBondContact O-N 3.18Å
311	R	91.3	Very high	90.2	Very high	127 Å²	127	96.7 Å²	96.7	48%	0.479	49%	0.488	S	S	.	.	H	α-helix	trans	-62	-47.5	176.3	-169.6	-164.6	66.1	77.9	0.6	112	Q307 E308 G314 V315	Q307-R311 PolarHBondContact O-N 3.42Å; E308-R311 VanDerWaalsContact CD-NH2 3.3Å; E308-R311 PolarHBondContact O-N 3.26Å; E308-R311 VanDerWaalsContact O-N 3.16Å; E308-R311 IonicContact OE1-CZ 3.85Å; E308-R311 IonicContact OE1-NE 2.71Å; E308-R311 IonicContact OE1-NH2 2.63Å; E308-R311 PolarHBondContact OE1-NH2 3.02Å; E308-R311 IonicContact OE2-CZ 2.7Å; E308-R311 IonicContact OE2-NE 3.33Å; E308-R311 PolarHBondContact OE2-NE 3.17Å; E308-R311 IonicContact OE2-NH2 3.07Å; E308-R311 PolarHBondContact OE2-NH2 2.8Å; R311-G314 CarbonylContact O-C 3.55Å; R311-G314 PolarHBondContact O-N 2.89Å; R311-V315 WeakPolarHBondContact O-CG2 3.26Å; R311-V315 PolarHBondContact O-N 3.26Å
312	L	88.2	Confident	90.2	Very high	89 Å²	89	99.8 Å²	99.8	47%	0.466	50%	0.497	S	S	.	.	H	α-helix	trans	-62.8	-41.1	177.8	-74.4	172.9	0	0	0	111.4	E308 G314 V315 A316	E308-L312 HydrophobicContact CG-CD1 3.84Å; E308-L312 HydrophobicContact CG-CG 4.15Å; E308-L312 WeakPolarHBondContact O-CB 3.27Å; E308-L312 WeakPolarHBondContact O-CG 3.13Å; E308-L312 PolarHBondContact O-N 2.77Å; L312-G314 VanDerWaalsContact C-N 3.35Å; L312-G314 PolarHBondContact O-N 3.36Å; L312-V315 PolarHBondContact O-N 3.48Å; L312-A316 VanDerWaalsContact O-CB 3.31Å; L312-A316 WeakPolarHBondContact O-CB 3.44Å; L312-A316 PolarHBondContact O-N 3.27Å
313	S	91.4	Very high	90.3	Very high	60 Å²	60	101.7 Å²	101.7	42%	0.42	50%	0.5	S	S	.	.	H	α-helix	trans	-60.2	-43	171.8	-177	0	0	0	0	111.9	K309 K310 V315 A316 K317	K309-S313 WeakPolarHBondContact O-CB 3.17Å; K309-S313 PolarHBondContact O-N 2.9Å; K310-S313 PolarHBondContact O-N 3.12Å; S313-V315 VanDerWaalsContact C-N 3.33Å; S313-V315 PolarHBondContact O-N 2.91Å; S313-A316 PolarHBondContact O-N 3.47Å; S313-K317 WeakPolarHBondContact O-CB 3.38Å; S313-K317 WeakPolarHBondContact O-CG 3.45Å; S313-K317 PolarHBondContact O-N 3.01Å
314	G	92.5	Very high	90.3	Very high	29 Å²	29	103.9 Å²	103.9	30%	0.299	50%	0.497	S	S	.	.	H	α-helix	trans	-69.1	-23.2	175.6	0	0	0	0	0	115	K310 R311 L312 R318	K310-G314 PolarHBondContact O-N 3.18Å; R311-G314 CarbonylContact O-C 3.55Å; R311-G314 PolarHBondContact O-N 2.89Å; L312-G314 VanDerWaalsContact C-N 3.35Å; L312-G314 PolarHBondContact O-N 3.36Å; G314-R318 PolarHBondContact O-NE 3.46Å
315	V	90.8	Very high	90.2	Very high	32 Å²	32	103 Å²	103	19%	0.194	50%	0.496	C	S	.	.	H	α-helix	trans	-78.2	-50.1	168.7	172.6	0	0	0	0	110	R311 L312 S313 K317 R318 E319	R311-V315 WeakPolarHBondContact O-CG2 3.26Å; R311-V315 PolarHBondContact O-N 3.26Å; L312-V315 PolarHBondContact O-N 3.48Å; S313-V315 VanDerWaalsContact C-N 3.33Å; S313-V315 PolarHBondContact O-N 2.91Å; V315-K317 VanDerWaalsContact C-N 3.28Å; V315-K317 PolarHBondContact O-N 3Å; V315-R318 CarbonylContact O-C 3.55Å; V315-R318 WeakPolarHBondContact O-CA 3.36Å; V315-R318 WeakPolarHBondContact O-CB 3.23Å; V315-R318 PolarHBondContact O-N 2.96Å; V315-E319 HydrophobicContact CG1-CG 4.13Å; V315-E319 PolarHBondContact O-N 2.84Å
316	A	90.6	Very high	90.2	Very high	50 Å²	50	102.4 Å²	102.4	41%	0.413	50%	0.497	S	S	.	.	H	α-helix	trans	-58.7	-37.2	179.5	0	0	0	0	0	112.5	L312 S313 E319 A320	L312-A316 VanDerWaalsContact O-CB 3.31Å; L312-A316 WeakPolarHBondContact O-CB 3.44Å; L312-A316 PolarHBondContact O-N 3.27Å; S313-A316 PolarHBondContact O-N 3.47Å; A316-E319 PolarHBondContact O-N 3.04Å; A316-A320 WeakPolarHBondContact O-CB 3.34Å; A316-A320 PolarHBondContact O-N 3.18Å
317	K	92.6	Very high	90.3	Very high	151 Å²	151	99 Å²	99	66%	0.657	47%	0.473	S	S	*	.	H	α-helix	trans	-62.8	-38.6	172	-76.4	-176.8	179.4	-165.6	0	112.8	S313 V315 K321	S313-K317 WeakPolarHBondContact O-CB 3.38Å; S313-K317 WeakPolarHBondContact O-CG 3.45Å; S313-K317 PolarHBondContact O-N 3.01Å; V315-K317 VanDerWaalsContact C-N 3.28Å; V315-K317 PolarHBondContact O-N 3Å; K317-K321 WeakPolarHBondContact O-CB 2.81Å; K317-K321 PolarHBondContact O-N 2.82Å
318	R	92.2	Very high	90.4	Very high	172 Å²	172	96.8 Å²	96.8	65%	0.649	46%	0.462	S	S	*	.	H	α-helix	trans	-71.9	-43.1	176.1	-75.8	-179.6	-74.5	169.2	-4.7	111.8	G314 V315 A320 K321 Q322	G314-R318 PolarHBondContact O-NE 3.46Å; V315-R318 CarbonylContact O-C 3.55Å; V315-R318 WeakPolarHBondContact O-CA 3.36Å; V315-R318 WeakPolarHBondContact O-CB 3.23Å; V315-R318 PolarHBondContact O-N 2.96Å; R318-A320 VanDerWaalsContact C-N 3.32Å; R318-A320 PolarHBondContact O-N 3.4Å; R318-K321 PolarHBondContact O-N 2.91Å; R318-Q322 WeakPolarHBondContact O-CB 3.21Å; R318-Q322 PolarHBondContact O-N 2.83Å
319	E	90.4	Very high	90.7	Very high	69 Å²	69	96.5 Å²	96.5	32%	0.322	46%	0.459	S	S	.	.	H	α-helix	trans	-64	-36.6	174.6	-69	179.8	143.9	0	0	111.9	V315 A316 K323	V315-E319 HydrophobicContact CG1-CG 4.13Å; V315-E319 PolarHBondContact O-N 2.84Å; A316-E319 PolarHBondContact O-N 3.04Å; E319-K323 VanDerWaalsContact O-CB 3.27Å; E319-K323 WeakPolarHBondContact O-CB 3.46Å; E319-K323 PolarHBondContact O-N 3.37Å
320	A	91.2	Very high	90.8	Very high	59 Å²	59	93.2 Å²	93.2	49%	0.488	45%	0.454	S	S	.	.	H	α-helix	trans	-69.2	-43.1	174.6	0	0	0	0	0	112	A316 R318 K323 W324	A316-A320 WeakPolarHBondContact O-CB 3.34Å; A316-A320 PolarHBondContact O-N 3.18Å; R318-A320 VanDerWaalsContact C-N 3.32Å; R318-A320 PolarHBondContact O-N 3.4Å; A320-K323 PolarHBondContact O-N 3.24Å; A320-W324 WeakPolarHBondContact O-CB 2.92Å; A320-W324 PolarHBondContact O-N 3.49Å
321	K	91.9	Very high	90.7	Very high	137 Å²	137	90.8 Å²	90.8	60%	0.596	45%	0.445	S	S	*	.	H	α-helix	trans	-60.3	-50.7	172.9	-177.5	178.9	176.7	-176.9	0	110.9	K317 R318 K323 W324 D325	K317-K321 WeakPolarHBondContact O-CB 2.81Å; K317-K321 PolarHBondContact O-N 2.82Å; R318-K321 PolarHBondContact O-N 2.91Å; K321-K323 VanDerWaalsContact C-N 3.33Å; K321-K323 PolarHBondContact O-N 3.3Å; K321-W324 WeakPolarHBondContact O-CA 3.45Å; K321-W324 WeakPolarHBondContact O-CB 3.42Å; K321-W324 PolarHBondContact O-N 3.39Å; K321-D325 WeakPolarHBondContact CE-OD2 3.3Å; K321-D325 WeakPolarHBondContact CG-OD2 3.42Å; K321-D325 VanDerWaalsContact O-CG 3.28Å; K321-D325 PolarHBondContact O-N 2.85Å
322	Q	89.7	Confident	90.7	Very high	114 Å²	114	85.5 Å²	85.5	53%	0.533	43%	0.425	S	S	.	.	H	α-helix	trans	-57.9	-46.7	177.7	-174.9	177.8	16.4	0	0	111.3	R318 W324 D325 D326	R318-Q322 WeakPolarHBondContact O-CB 3.21Å; R318-Q322 PolarHBondContact O-N 2.83Å; Q322-W324 PolarHBondContact O-N 2.81Å; Q322-D325 PolarHBondContact O-N 2.97Å; Q322-D326 VanDerWaalsContact CG-OD2 3.25Å; Q322-D326 WeakPolarHBondContact CG-OD2 3.47Å; Q322-D326 VanDerWaalsContact O-CB 3.3Å; Q322-D326 WeakPolarHBondContact O-CB 3.15Å; Q322-D326 PolarHBondContact O-N 2.65Å
323	K	89.5	Confident	90.8	Very high	153 Å²	153	83.1 Å²	83.1	67%	0.665	42%	0.419	S	S	*	.	H	α-helix	trans	-59.5	-36	176	-171	-174.4	176.7	-163.5	0	112.2	E319 A320 K321 R327	E319-K323 VanDerWaalsContact O-CB 3.27Å; E319-K323 WeakPolarHBondContact O-CB 3.46Å; E319-K323 PolarHBondContact O-N 3.37Å; A320-K323 PolarHBondContact O-N 3.24Å; K321-K323 VanDerWaalsContact C-N 3.33Å; K321-K323 PolarHBondContact O-N 3.3Å; K323-R327 VanDerWaalsContact O-CG 3.26Å; K323-R327 WeakPolarHBondContact O-CG 3.34Å; K323-R327 PolarHBondContact O-N 3.15Å
324	W	88.3	Confident	90.8	Very high	145 Å²	145	84 Å²	84	55%	0.549	42%	0.418	S	S	.	.	H	α-helix	trans	-70	-41.5	178.8	-179.7	-93.2	0	0	0	112.8	A320 K321 Q322 R327	A320-W324 WeakPolarHBondContact O-CB 2.92Å; A320-W324 PolarHBondContact O-N 3.49Å; K321-W324 WeakPolarHBondContact O-CA 3.45Å; K321-W324 WeakPolarHBondContact O-CB 3.42Å; K321-W324 PolarHBondContact O-N 3.39Å; Q322-W324 PolarHBondContact O-N 2.81Å; W324-R327 VanDerWaalsContact CZ2-NH2 3.32Å; W324-R327 WeakPolarHBondContact O-CG 3.47Å; W324-R327 PolarHBondContact O-NE 3.41Å
325	D	87.9	Confident	90.7	Very high	79 Å²	79	89.1 Å²	89.1	42%	0.422	44%	0.439	S	S	.	.	H	α-helix	trans	-71.7	-42.2	178.9	-59.5	-18.8	0	0	0	110.4	K321 Q322 R327 K332	K321-D325 WeakPolarHBondContact CE-OD2 3.3Å; K321-D325 WeakPolarHBondContact CG-OD2 3.42Å; K321-D325 VanDerWaalsContact O-CG 3.28Å; K321-D325 PolarHBondContact O-N 2.85Å; Q322-D325 PolarHBondContact O-N 2.97Å; D325-R327 VanDerWaalsContact C-N 3.31Å; D325-R327 PolarHBondContact O-N 3.49Å; D325-K332 PolarHBondContact O-NZ 2.87Å
326	D	88.7	Confident	90.8	Very high	74 Å²	74	91.1 Å²	91.1	40%	0.396	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	18.2	177.8	-71.6	-48.4	0	0	0	114.5	Q322 R340	Q322-D326 VanDerWaalsContact CG-OD2 3.25Å; Q322-D326 WeakPolarHBondContact CG-OD2 3.47Å; Q322-D326 VanDerWaalsContact O-CB 3.3Å; Q322-D326 WeakPolarHBondContact O-CB 3.15Å; Q322-D326 PolarHBondContact O-N 2.65Å; D326-R340 IonicContact OD1-CZ 3.7Å; D326-R340 IonicContact OD1-NH1 2.75Å; D326-R340 PolarHBondContact OD1-NH1 2.74Å; D326-R340 IonicContact OD1-NH2 3.3Å; D326-R340 PolarHBondContact OD1-NH2 2.75Å
327	R	91.3	Very high	90.9	Very high	30 Å²	30	89.7 Å²	89.7	11%	0.113	43%	0.431	C	S	.	.			trans	-61.4	148.1	175.6	-77.9	-179.8	-66.8	147.9	4.9	111.9	K323 W324 D325 E331 K332	K323-R327 VanDerWaalsContact O-CG 3.26Å; K323-R327 WeakPolarHBondContact O-CG 3.34Å; K323-R327 PolarHBondContact O-N 3.15Å; W324-R327 VanDerWaalsContact CZ2-NH2 3.32Å; W324-R327 WeakPolarHBondContact O-CG 3.47Å; W324-R327 PolarHBondContact O-NE 3.41Å; D325-R327 VanDerWaalsContact C-N 3.31Å; D325-R327 PolarHBondContact O-N 3.49Å; R327-E331 HydrophobicContact CB-CB 4.35Å; R327-E331 WeakPolarHBondContact CD-OE2 3.5Å; R327-E331 WeakPolarHBondContact CG-OE2 3.46Å; R327-E331 PolarHBondContact NH1-O 2.8Å; R327-K332 HydrophobicContact CB-CG 4.18Å; R327-K332 WeakPolarHBondContact O-CE 3.45Å; R327-K332 PolarHBondContact O-NZ 3.25Å
328	H	91.8	Very high	90.9	Very high	87 Å²	87	86 Å²	86	40%	0.403	42%	0.421	S	S	.	.			trans	-61.8	147.5	167.9	-160.2	-107.1	0	0	0	110.6	T330 E331 D348	H328-T330 PolarHBondContact CE1-OG1 3.25Å; H328-T330 PolarHBondContact ND1-OG1 3.17Å; H328-T330 PolarHBondContact O-N 2.92Å; H328-T330 VanDerWaalsContact O-N 3.1Å; H328-E331 PolarHBondContact O-N 2.98Å; H328-D348 IonicContact CE1-OD2 3.3Å; H328-D348 IonicContact NE2-OD2 2.84Å; H328-D348 PolarHBondContact NE2-OD2 3.01Å
329	W	93.2	Very high	90.9	Very high	33 Å²	33	86.2 Å²	86.2	13%	0.125	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-59.1	-27.5	-176.5	55.9	-100	0	0	0	113.2	E331 K332 M337 F345 D348 F349 R363	W329-E331 PolarHBondContact O-N 2.86Å; W329-K332 PolarHBondContact O-N 2.82Å; W329-M337 HydrophobicContact CB-CE 3.72Å; W329-M337 HydrophobicContact CB-SD 3.65Å; W329-F345 AromaticContact CD2-CD2 3.5Å; W329-F345 HydrophobicContact CD2-CD2 3.5Å; W329-F345 VanDerWaalsContact CD2-CD2 3.5Å; W329-F345 HydrophobicContact CD2-CE2 4.04Å; W329-F345 AromaticContact CE2-CD2 3.72Å; W329-F345 AromaticContact CE3-CD2 3.74Å; W329-F345 HydrophobicContact CE3-CD2 3.74Å; W329-F345 AromaticContact CE3-CE2 3.81Å; W329-F345 HydrophobicContact CE3-CE2 3.81Å; W329-F345 HydrophobicContact CG-CB 4.38Å; W329-F345 AromaticContact CG-CD2 3.86Å; W329-F345 HydrophobicContact CG-CD2 3.86Å; W329-F345 HydrophobicContact CH2-CD2 4.41Å; W329-F345 HydrophobicContact CH2-CE2 4.12Å; W329-F345 HydrophobicContact CZ2-CD2 4.19Å; W329-F345 HydrophobicContact CZ2-CE2 4.3Å; W329-F345 HydrophobicContact CZ3-CD2 4.19Å; W329-F345 AromaticContact CZ3-CE2 3.86Å; W329-F345 HydrophobicContact CZ3-CE2 3.86Å; W329-D348 PolarHBondContact NE1-OD2 3.16Å; W329-F349 AromaticContact CH2-CE2 3.69Å; W329-F349 HydrophobicContact CH2-CE2 3.69Å; W329-F349 AromaticContact CH2-CZ 3.87Å; W329-F349 HydrophobicContact CH2-CZ 3.87Å; W329-F349 AromaticContact CZ2-CE2 3.63Å; W329-F349 HydrophobicContact CZ2-CE2 3.63Å; W329-F349 HydrophobicContact CZ2-CZ 4.08Å; W329-R363 PolarHBondContact O-NH1 3.47Å; W329-R363 VanDerWaalsContact O-NH1 3.08Å
330	T	91.3	Very high	91.1	Very high	97 Å²	97	88.4 Å²	88.4	60%	0.595	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-62.1	-27	176	-38.7	0	0	0	0	113	H328	H328-T330 PolarHBondContact CE1-OG1 3.25Å; H328-T330 PolarHBondContact ND1-OG1 3.17Å; H328-T330 PolarHBondContact O-N 2.92Å; H328-T330 VanDerWaalsContact O-N 3.1Å
331	E	90.6	Very high	91.2	Very high	119 Å²	119	85.8 Å²	85.8	56%	0.556	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-93.3	-4.1	176.2	-61	-175.9	-179.6	0	0	113	R327 H328 W329	R327-E331 HydrophobicContact CB-CB 4.35Å; R327-E331 WeakPolarHBondContact CD-OE2 3.5Å; R327-E331 WeakPolarHBondContact CG-OE2 3.46Å; R327-E331 PolarHBondContact NH1-O 2.8Å; H328-E331 PolarHBondContact O-N 2.98Å; W329-E331 PolarHBondContact O-N 2.86Å
332	K	91	Very high	91.3	Very high	16 Å²	16	80 Å²	80	7%	0.07	39%	0.387	C	S	.	.	S	Bend	trans	-97.2	146.6	-175.8	-70.2	-179	170.4	178.2	0	111.2	D325 R327 W329 M337 D341 R363	D325-K332 PolarHBondContact O-NZ 2.87Å; R327-K332 HydrophobicContact CB-CG 4.18Å; R327-K332 WeakPolarHBondContact O-CE 3.45Å; R327-K332 PolarHBondContact O-NZ 3.25Å; W329-K332 PolarHBondContact O-N 2.82Å; K332-M337 HydrophobicContact CB-SD 4.14Å; K332-M337 HydrophobicContact CD-SD 4.44Å; K332-D341 IonicContact NZ-OD1 3.57Å; K332-D341 PolarHBondContact NZ-OD1 3.21Å; K332-D341 IonicContact NZ-OD2 2.64Å; K332-D341 PolarHBondContact NZ-OD2 2.9Å; K332-R363 PolarHBondContact O-NH1 3.02Å; K332-R363 PolarHBondContact O-NH2 3.42Å
333	A	91.3	Very high	91.5	Very high	40 Å²	40	81.3 Å²	81.3	33%	0.331	39%	0.387	S	S	.	.			trans	-80.1	160.5	165.3	0	0	0	0	0	110.3	D335 Q336	A333-D335 VanDerWaalsContact C-N 3.32Å; A333-D335 WeakPolarHBondContact CB-OD1 3.13Å; A333-D335 PolarHBondContact O-N 2.72Å; A333-Q336 HydrophobicContact CB-CG 4.32Å; A333-Q336 WeakPolarHBondContact O-CB 3.46Å; A333-Q336 PolarHBondContact O-N 3.08Å
334	L	90.7	Very high	91.7	Very high	78 Å²	78	75.9 Å²	75.9	41%	0.408	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-63.9	-37.1	-171.7	-178.4	64.1	0	0	0	112.6	Q336 M337 W342 E367	L334-Q336 PolarHBondContact O-N 3.1Å; L334-M337 WeakPolarHBondContact O-CB 3.43Å; L334-M337 PolarHBondContact O-N 2.95Å; L334-W342 HydrophobicContact CD1-CH2 3.63Å; L334-W342 HydrophobicContact CD1-CZ2 3.6Å; L334-E367 HydrophobicContact CD2-CB 4.2Å; L334-E367 HydrophobicContact CD2-CG 4.14Å
335	D	91	Very high	92	Very high	136 Å²	136	69 Å²	69	73%	0.727	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-63.7	-21.3	172.9	61.8	-55.4	0	0	0	113.6	A333	A333-D335 VanDerWaalsContact C-N 3.32Å; A333-D335 WeakPolarHBondContact CB-OD1 3.13Å; A333-D335 PolarHBondContact O-N 2.72Å
336	Q	91.2	Very high	92.2	Very high	75 Å²	75	67.1 Å²	67.1	35%	0.35	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-96.2	0.8	-179.1	-57.8	177.7	11.5	0	0	113.1	A333 L334 T338	A333-Q336 HydrophobicContact CB-CG 4.32Å; A333-Q336 WeakPolarHBondContact O-CB 3.46Å; A333-Q336 PolarHBondContact O-N 3.08Å; L334-Q336 PolarHBondContact O-N 3.1Å; Q336-T338 PolarHBondContact O-N 3.38Å
337	M	92.6	Very high	92.3	Very high	19 Å²	19	68.7 Å²	68.7	9%	0.094	33%	0.331	C	S	.	.			trans	-78.9	112.2	-178.1	-71.9	-70.5	-65.1	0	0	111.6	W329 K332 L334 D341 W342 R363	W329-M337 HydrophobicContact CB-CE 3.72Å; W329-M337 HydrophobicContact CB-SD 3.65Å; K332-M337 HydrophobicContact CB-SD 4.14Å; K332-M337 HydrophobicContact CD-SD 4.44Å; L334-M337 WeakPolarHBondContact O-CB 3.43Å; L334-M337 PolarHBondContact O-N 2.95Å; M337-D341 HydrophobicContact CE-CB 3.58Å; M337-D341 HydrophobicContact SD-CB 3.85Å; M337-W342 HydrophobicContact CB-CD2 4.39Å; M337-W342 HydrophobicContact CB-CZ2 3.74Å; M337-W342 HydrophobicContact CE-CD2 3.71Å; M337-W342 HydrophobicContact CE-CE3 3.7Å; M337-W342 HydrophobicContact CE-CG 4.27Å; M337-W342 HydrophobicContact CE-CH2 4.26Å; M337-W342 HydrophobicContact CE-CZ2 4.25Å; M337-W342 HydrophobicContact CE-CZ3 3.98Å; M337-W342 HydrophobicContact CG-CH2 4.46Å; M337-W342 HydrophobicContact CG-CZ2 3.98Å; M337-R363 PolarHBondContact SD-NH1 3.44Å; M337-R363 VanDerWaalsContact SD-NH1 3.38Å
338	T	93.6	Very high	92.3	Very high	74 Å²	74	71 Å²	71	45%	0.454	35%	0.346	S	S	.	.			trans	-83	164.6	173.5	68.2	0	0	0	0	111.8	Q336 R340 D341 W342	Q336-T338 PolarHBondContact O-N 3.38Å; T338-R340 PolarHBondContact O-N 3.33Å; T338-D341 WeakPolarHBondContact CB-OD2 3.32Å; T338-D341 PolarHBondContact N-OD2 3.17Å; T338-D341 WeakPolarHBondContact O-CA 3.32Å; T338-D341 WeakPolarHBondContact O-CB 3.42Å; T338-D341 PolarHBondContact O-N 3.15Å; T338-D341 VanDerWaalsContact OG1-CG 3.24Å; T338-D341 PolarHBondContact OG1-N 3.48Å; T338-D341 PolarHBondContact OG1-OD2 3.5Å; T338-W342 PolarHBondContact O-N 3Å
339	E	92.5	Very high	92.2	Very high	176 Å²	176	69.3 Å²	69.3	82%	0.822	34%	0.337	S	S	*	.	H	α-helix	trans	-54.3	-34.7	172.7	-65.9	-178.5	174.5	0	0	113	W342 R343	E339-W342 PolarHBondContact O-N 3.31Å; E339-R343 PolarHBondContact O-N 3.2Å
340	R	93	Very high	91.9	Very high	116 Å²	116	72 Å²	72	44%	0.438	35%	0.354	S	S	.	.	H	α-helix	trans	-64.5	-42.2	173.7	173.4	175	167.8	-125.4	6.7	111.5	D326 T338 W342 R343 I344	D326-R340 IonicContact OD1-CZ 3.7Å; D326-R340 IonicContact OD1-NH1 2.75Å; D326-R340 PolarHBondContact OD1-NH1 2.74Å; D326-R340 IonicContact OD1-NH2 3.3Å; D326-R340 PolarHBondContact OD1-NH2 2.75Å; T338-R340 PolarHBondContact O-N 3.33Å; R340-W342 VanDerWaalsContact C-N 3.32Å; R340-R343 PolarHBondContact O-N 3.26Å; R340-R343 VanDerWaalsContact O-N 3.16Å; R340-I344 HydrophobicContact CG-CD1 3.97Å; R340-I344 WeakPolarHBondContact O-CG1 3.33Å; R340-I344 PolarHBondContact O-N 2.94Å
341	D	94.6	Very high	92	Very high	3 Å²	3	68 Å²	68	2%	0.016	33%	0.329	C	S	.	.	H	α-helix	trans	-66	-38	177.9	-57.9	-52	0	0	0	110.9	K332 M337 T338 R343 I344 F345	K332-D341 IonicContact NZ-OD1 3.57Å; K332-D341 PolarHBondContact NZ-OD1 3.21Å; K332-D341 IonicContact NZ-OD2 2.64Å; K332-D341 PolarHBondContact NZ-OD2 2.9Å; M337-D341 HydrophobicContact CE-CB 3.58Å; M337-D341 HydrophobicContact SD-CB 3.85Å; T338-D341 WeakPolarHBondContact CB-OD2 3.32Å; T338-D341 PolarHBondContact N-OD2 3.17Å; T338-D341 WeakPolarHBondContact O-CA 3.32Å; T338-D341 WeakPolarHBondContact O-CB 3.42Å; T338-D341 PolarHBondContact O-N 3.15Å; T338-D341 VanDerWaalsContact OG1-CG 3.24Å; T338-D341 PolarHBondContact OG1-N 3.48Å; T338-D341 PolarHBondContact OG1-OD2 3.5Å; D341-R343 VanDerWaalsContact C-N 3.3Å; D341-R343 PolarHBondContact O-N 3.11Å; D341-I344 PolarHBondContact O-N 3.43Å; D341-F345 VanDerWaalsContact O-CB 3.27Å; D341-F345 WeakPolarHBondContact O-CB 3.39Å; D341-F345 PolarHBondContact O-N 2.97Å
342	W	94.5	Very high	92	Very high	15 Å²	15	65.7 Å²	65.7	6%	0.057	33%	0.326	C	S	.	.	H	α-helix	trans	-67.8	-26.3	172.1	-69.3	120.9	0	0	0	113.9	L334 M337 T338 E339 R340 F345 R346 N360 P361 R363	L334-W342 HydrophobicContact CD1-CH2 3.63Å; L334-W342 HydrophobicContact CD1-CZ2 3.6Å; M337-W342 HydrophobicContact CB-CD2 4.39Å; M337-W342 HydrophobicContact CB-CZ2 3.74Å; M337-W342 HydrophobicContact CE-CD2 3.71Å; M337-W342 HydrophobicContact CE-CE3 3.7Å; M337-W342 HydrophobicContact CE-CG 4.27Å; M337-W342 HydrophobicContact CE-CH2 4.26Å; M337-W342 HydrophobicContact CE-CZ2 4.25Å; M337-W342 HydrophobicContact CE-CZ3 3.98Å; M337-W342 HydrophobicContact CG-CH2 4.46Å; M337-W342 HydrophobicContact CG-CZ2 3.98Å; T338-W342 PolarHBondContact O-N 3Å; E339-W342 PolarHBondContact O-N 3.31Å; R340-W342 VanDerWaalsContact C-N 3.32Å; W342-F345 HydrophobicContact CE3-CG 4.46Å; W342-R346 WeakPolarHBondContact O-CG 3.5Å; W342-R346 PolarHBondContact O-N 3.21Å; W342-R346 PolarHBondContact O-NH1 2.78Å; W342-R346 VanDerWaalsContact O-NH1 3.17Å; W342-N360 HydrophobicContact CD2-CB 3.85Å; W342-N360 HydrophobicContact CE3-CB 4.05Å; W342-N360 HydrophobicContact CH2-CB 3.87Å; W342-N360 HydrophobicContact CZ2-CB 3.67Å; W342-N360 HydrophobicContact CZ3-CB 4.07Å; W342-N360 PolarHBondContact NE1-ND2 2.95Å; W342-P361 HydrophobicContact CE3-CG 3.87Å; W342-P361 WeakPolarHBondContact CH2-O 3.16Å; W342-P361 HydrophobicContact CZ3-CG 3.92Å; W342-P361 WeakPolarHBondContact CZ3-O 3.15Å; W342-R363 HydrophobicContact CH2-CG 3.67Å; W342-R363 HydrophobicContact CZ3-CG 3.68Å
343	R	93.2	Very high	92.1	Very high	142 Å²	142	66.9 Å²	66.9	54%	0.536	33%	0.334	S	S	.	.	H	α-helix	trans	-74.3	-47.5	171.1	-163.2	-177.4	68.2	-137.4	-1.6	111.1	E339 R340 D341 F345 R346 E347	E339-R343 PolarHBondContact O-N 3.2Å; R340-R343 PolarHBondContact O-N 3.26Å; R340-R343 VanDerWaalsContact O-N 3.16Å; D341-R343 VanDerWaalsContact C-N 3.3Å; D341-R343 PolarHBondContact O-N 3.11Å; R343-F345 VanDerWaalsContact C-N 3.32Å; R343-F345 PolarHBondContact O-N 3.37Å; R343-R346 PolarHBondContact O-N 3.48Å; R343-R346 VanDerWaalsContact O-N 3.1Å; R343-E347 WeakPolarHBondContact CD-OE1 3.38Å; R343-E347 WeakPolarHBondContact CG-OE1 3.33Å; R343-E347 IonicContact NE-OE1 3.44Å; R343-E347 PolarHBondContact NE-OE1 2.75Å; R343-E347 VanDerWaalsContact NE-OE1 3.13Å; R343-E347 WeakPolarHBondContact O-CG 3.46Å; R343-E347 PolarHBondContact O-N 3.37Å
344	I	93	Very high	92.1	Very high	39 Å²	39	70 Å²	70	20%	0.2	34%	0.341	C	S	.	.	H	α-helix	trans	-57.7	-45.9	175.2	-65.9	165.9	0	0	0	110.2	R340 D341 R346 E347 D348	R340-I344 HydrophobicContact CG-CD1 3.97Å; R340-I344 WeakPolarHBondContact O-CG1 3.33Å; R340-I344 PolarHBondContact O-N 2.94Å; D341-I344 PolarHBondContact O-N 3.43Å; I344-R346 VanDerWaalsContact C-N 3.3Å; I344-R346 PolarHBondContact O-N 3.28Å; I344-E347 CarbonylContact O-C 3.58Å; I344-E347 WeakPolarHBondContact O-CA 3.48Å; I344-E347 WeakPolarHBondContact O-CB 3.29Å; I344-E347 PolarHBondContact O-N 3.19Å; I344-E347 VanDerWaalsContact O-N 3.08Å; I344-D348 WeakPolarHBondContact CG2-OD2 3.39Å; I344-D348 VanDerWaalsContact O-CG 3.25Å; I344-D348 PolarHBondContact O-N 3.41Å
345	F	94.6	Very high	91.9	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-55.8	-42.4	175.2	-174.6	-79.2	0	0	0	112.9	W329 D341 W342 R343 F349 P361 L362 R363	W329-F345 AromaticContact CD2-CD2 3.5Å; W329-F345 HydrophobicContact CD2-CD2 3.5Å; W329-F345 VanDerWaalsContact CD2-CD2 3.5Å; W329-F345 HydrophobicContact CD2-CE2 4.04Å; W329-F345 AromaticContact CE2-CD2 3.72Å; W329-F345 AromaticContact CE3-CD2 3.74Å; W329-F345 HydrophobicContact CE3-CD2 3.74Å; W329-F345 AromaticContact CE3-CE2 3.81Å; W329-F345 HydrophobicContact CE3-CE2 3.81Å; W329-F345 HydrophobicContact CG-CB 4.38Å; W329-F345 AromaticContact CG-CD2 3.86Å; W329-F345 HydrophobicContact CG-CD2 3.86Å; W329-F345 HydrophobicContact CH2-CD2 4.41Å; W329-F345 HydrophobicContact CH2-CE2 4.12Å; W329-F345 HydrophobicContact CZ2-CD2 4.19Å; W329-F345 HydrophobicContact CZ2-CE2 4.3Å; W329-F345 HydrophobicContact CZ3-CD2 4.19Å; W329-F345 AromaticContact CZ3-CE2 3.86Å; W329-F345 HydrophobicContact CZ3-CE2 3.86Å; D341-F345 VanDerWaalsContact O-CB 3.27Å; D341-F345 WeakPolarHBondContact O-CB 3.39Å; D341-F345 PolarHBondContact O-N 2.97Å; W342-F345 HydrophobicContact CE3-CG 4.46Å; R343-F345 VanDerWaalsContact C-N 3.32Å; R343-F345 PolarHBondContact O-N 3.37Å; F345-F349 AromaticContact CD1-CD2 3.96Å; F345-F349 HydrophobicContact CD1-CD2 3.96Å; F345-F349 HydrophobicContact CD1-CE2 4.45Å; F345-F349 HydrophobicContact CD2-CD2 4.42Å; F345-F349 HydrophobicContact CD2-CE2 4.19Å; F345-F349 AromaticContact CE1-CD2 3.63Å; F345-F349 HydrophobicContact CE1-CD2 3.63Å; F345-F349 AromaticContact CE1-CE2 3.93Å; F345-F349 HydrophobicContact CE1-CE2 3.93Å; F345-F349 HydrophobicContact CE2-CD2 4.13Å; F345-F349 AromaticContact CE2-CE2 3.64Å; F345-F349 HydrophobicContact CE2-CE2 3.64Å; F345-F349 HydrophobicContact CG-CD2 4.34Å; F345-F349 AromaticContact CZ-CD2 3.73Å; F345-F349 HydrophobicContact CZ-CD2 3.73Å; F345-F349 AromaticContact CZ-CE2 3.5Å; F345-F349 HydrophobicContact CZ-CE2 3.5Å; F345-F349 WeakPolarHBondContact O-CD2 3.42Å; F345-F349 PolarHBondContact O-N 3.11Å; F345-P361 HydrophobicContact CD1-CB 4.24Å; F345-P361 HydrophobicContact CD1-CG 3.48Å; F345-P361 VanDerWaalsContact CD1-CG 3.48Å; F345-P361 HydrophobicContact CE1-CB 3.77Å; F345-P361 HydrophobicContact CE1-CG 3.52Å; F345-P361 HydrophobicContact CG-CG 4.49Å; F345-L362 WeakPolarHBondContact CZ-O 3.5Å; F345-R363 HydrophobicContact CD2-CG 4.29Å; F345-R363 HydrophobicContact CE2-CB 3.86Å; F345-R363 HydrophobicContact CE2-CG 3.75Å; F345-R363 HydrophobicContact CZ-CB 4.35Å; F345-R363 HydrophobicContact CZ-CG 4.26Å
346	R	93.4	Very high	91.5	Very high	41 Å²	41	63.1 Å²	63.1	16%	0.155	32%	0.32	C	S	.	.	H	α-helix	trans	-70.6	-37.8	176.3	-75.5	-176.3	-168.6	100.5	-10.5	111.7	W342 R343 I344 N350 I351 P361	W342-R346 WeakPolarHBondContact O-CG 3.5Å; W342-R346 PolarHBondContact O-N 3.21Å; W342-R346 PolarHBondContact O-NH1 2.78Å; W342-R346 VanDerWaalsContact O-NH1 3.17Å; R343-R346 PolarHBondContact O-N 3.48Å; R343-R346 VanDerWaalsContact O-N 3.1Å; I344-R346 VanDerWaalsContact C-N 3.3Å; I344-R346 PolarHBondContact O-N 3.28Å; R346-N350 PolarHBondContact O-N 2.94Å; R346-N350 VanDerWaalsContact O-N 3.15Å; R346-I351 HydrophobicContact CB-CB 4.27Å; R346-I351 HydrophobicContact CG-CB 4.26Å; R346-I351 PolarHBondContact O-N 2.95Å; R346-P361 HydrophobicContact CG-CG 4.38Å
347	E	90.1	Very high	91.3	Very high	106 Å²	106	65 Å²	65	50%	0.495	33%	0.333	S	S	.	.	H	α-helix	trans	-60.8	-49	172.9	-70.8	166.2	-161.7	0	0	110.9	R343 I344 F349 N350	R343-E347 WeakPolarHBondContact CD-OE1 3.38Å; R343-E347 WeakPolarHBondContact CG-OE1 3.33Å; R343-E347 IonicContact NE-OE1 3.44Å; R343-E347 PolarHBondContact NE-OE1 2.75Å; R343-E347 VanDerWaalsContact NE-OE1 3.13Å; R343-E347 WeakPolarHBondContact O-CG 3.46Å; R343-E347 PolarHBondContact O-N 3.37Å; I344-E347 CarbonylContact O-C 3.58Å; I344-E347 WeakPolarHBondContact O-CA 3.48Å; I344-E347 WeakPolarHBondContact O-CB 3.29Å; I344-E347 PolarHBondContact O-N 3.19Å; I344-E347 VanDerWaalsContact O-N 3.08Å; E347-F349 PolarHBondContact O-N 3.15Å; E347-N350 PolarHBondContact O-N 3.37Å; E347-N350 PolarHBondContact O-OD1 3.38Å; E347-N350 VanDerWaalsContact O-OD1 3.07Å
348	D	90.5	Very high	91.2	Very high	80 Å²	80	65.5 Å²	65.5	43%	0.428	34%	0.336	S	S	.	.	H	α-helix	trans	-63	-35.4	-178.1	-65.3	-33.4	0	0	0	114	H328 W329 I344	H328-D348 IonicContact CE1-OD2 3.3Å; H328-D348 IonicContact NE2-OD2 2.84Å; H328-D348 PolarHBondContact NE2-OD2 3.01Å; W329-D348 PolarHBondContact NE1-OD2 3.16Å; I344-D348 WeakPolarHBondContact CG2-OD2 3.39Å; I344-D348 VanDerWaalsContact O-CG 3.25Å; I344-D348 PolarHBondContact O-N 3.41Å
349	F	89.4	Confident	91.1	Very high	50 Å²	50	63 Å²	63	22%	0.219	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	8.1	176.7	-73	-66.8	0	0	0	113.4	W329 F345 E347 I351 P388	W329-F349 AromaticContact CH2-CE2 3.69Å; W329-F349 HydrophobicContact CH2-CE2 3.69Å; W329-F349 AromaticContact CH2-CZ 3.87Å; W329-F349 HydrophobicContact CH2-CZ 3.87Å; W329-F349 AromaticContact CZ2-CE2 3.63Å; W329-F349 HydrophobicContact CZ2-CE2 3.63Å; W329-F349 HydrophobicContact CZ2-CZ 4.08Å; F345-F349 AromaticContact CD1-CD2 3.96Å; F345-F349 HydrophobicContact CD1-CD2 3.96Å; F345-F349 HydrophobicContact CD1-CE2 4.45Å; F345-F349 HydrophobicContact CD2-CD2 4.42Å; F345-F349 HydrophobicContact CD2-CE2 4.19Å; F345-F349 AromaticContact CE1-CD2 3.63Å; F345-F349 HydrophobicContact CE1-CD2 3.63Å; F345-F349 AromaticContact CE1-CE2 3.93Å; F345-F349 HydrophobicContact CE1-CE2 3.93Å; F345-F349 HydrophobicContact CE2-CD2 4.13Å; F345-F349 AromaticContact CE2-CE2 3.64Å; F345-F349 HydrophobicContact CE2-CE2 3.64Å; F345-F349 HydrophobicContact CG-CD2 4.34Å; F345-F349 AromaticContact CZ-CD2 3.73Å; F345-F349 HydrophobicContact CZ-CD2 3.73Å; F345-F349 AromaticContact CZ-CE2 3.5Å; F345-F349 HydrophobicContact CZ-CE2 3.5Å; F345-F349 WeakPolarHBondContact O-CD2 3.42Å; F345-F349 PolarHBondContact O-N 3.11Å; E347-F349 PolarHBondContact O-N 3.15Å; F349-I351 VanDerWaalsContact C-N 3.28Å; F349-I351 HydrophobicContact CB-CD1 3.8Å; F349-I351 HydrophobicContact CB-CG1 3.76Å; F349-I351 PolarHBondContact O-N 2.97Å; F349-P388 HydrophobicContact CB-CB 4.29Å; F349-P388 HydrophobicContact CB-CG 4.33Å; F349-P388 HydrophobicContact CD1-CG 4.06Å
350	N	88.8	Confident	91.2	Very high	90 Å²	90	58.4 Å²	58.4	48%	0.481	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	43	-175.2	-63.2	-5.1	0	0	0	113.6	R346 E347 G601	R346-N350 PolarHBondContact O-N 2.94Å; R346-N350 VanDerWaalsContact O-N 3.15Å; E347-N350 PolarHBondContact O-N 3.37Å; E347-N350 PolarHBondContact O-OD1 3.38Å; E347-N350 VanDerWaalsContact O-OD1 3.07Å; N350-G601 PolarHBondContact O-N 3.17Å
351	I	91.5	Very high	91.3	Very high	12 Å²	12	53 Å²	53	6%	0.062	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	119.4	179.2	-51.3	-179.9	0	0	0	109.2	R346 F349 T353 P388 R391 Q392 V598 Y599 I600	R346-I351 HydrophobicContact CB-CB 4.27Å; R346-I351 HydrophobicContact CG-CB 4.26Å; R346-I351 PolarHBondContact O-N 2.95Å; F349-I351 VanDerWaalsContact C-N 3.28Å; F349-I351 HydrophobicContact CB-CD1 3.8Å; F349-I351 HydrophobicContact CB-CG1 3.76Å; F349-I351 PolarHBondContact O-N 2.97Å; I351-T353 HydrophobicContact CG2-CG2 4.07Å; I351-P388 HydrophobicContact CD1-CB 4.32Å; I351-P388 WeakPolarHBondContact CD1-O 3.43Å; I351-P388 HydrophobicContact CG1-CB 4.19Å; I351-R391 HydrophobicContact CD1-CB 4.43Å; I351-Q392 HydrophobicContact CD1-CB 4.32Å; I351-Q392 HydrophobicContact CG2-CB 3.93Å; I351-Q392 HydrophobicContact CG2-CG 3.96Å; I351-V598 HydrophobicContact CG2-CG1 4.12Å; I351-Y599 WeakPolarHBondContact CA-O 3.47Å; I351-I600 HydrophobicContact CB-CD1 4.31Å; I351-I600 HydrophobicContact CG1-CD1 3.85Å; I351-I600 HydrophobicContact CG2-CD1 4.11Å
352	S	91.4	Very high	91.3	Very high	71 Å²	71	53.7 Å²	53.7	50%	0.497	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	141.2	168.5	-172.7	0	0	0	0	110.1	Y599	S352-Y599 PolarHBondContact N-O 3.29Å; S352-Y599 PolarHBondContact O-N 3.08Å
353	T	92.9	Very high	91.2	Very high	41 Å²	41	54.4 Å²	54.4	25%	0.252	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	148.8	-174.5	57.9	0	0	0	0	112.6	I351 I358 Q392 M597 V598	I351-T353 HydrophobicContact CG2-CG2 4.07Å; T353-I358 HydrophobicContact CG2-CG2 4.47Å; T353-Q392 HydrophobicContact CG2-CG 3.66Å; T353-M597 CarbonylContact C-O 3.55Å; T353-M597 WeakPolarHBondContact CA-O 3.43Å; T353-V598 HydrophobicContact CG2-CG2 4.41Å
354	K	91.6	Very high	91.2	Very high	106 Å²	106	49 Å²	49	46%	0.461	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143.5	172.2	-57.2	176.9	-175.8	163.8	0	110.8	A596 M597 Y599	K354-A596 CarbonylContact O-C 3.47Å; K354-A596 WeakPolarHBondContact O-CA 3.19Å; K354-M597 HydrophobicContact CB-CB 4.14Å; K354-M597 HydrophobicContact CB-CE 4Å; K354-M597 HydrophobicContact CB-CG 4.4Å; K354-M597 HydrophobicContact CB-SD 4.37Å; K354-M597 HydrophobicContact CD-CE 3.9Å; K354-M597 HydrophobicContact CD-SD 3.96Å; K354-M597 PolarHBondContact N-O 2.9Å; K354-M597 PolarHBondContact O-N 3.41Å; K354-Y599 HydrophobicContact CD-CE2 3.9Å; K354-Y599 HydrophobicContact CG-CE2 4.15Å; K354-Y599 PolarHBondContact NZ-OH 3.07Å; K354-Y599 VanDerWaalsContact NZ-OH 3.14Å
355	G	85.9	Confident	91.1	Very high	44 Å²	44	48.4 Å²	48.4	45%	0.454	27%	0.268	S	S	.	.	S	Bend	trans	127.1	160.2	-174.3	0	0	0	0	0	111.3
356	G	84.2	Confident	90.8	Very high	25 Å²	25	52.4 Å²	52.4	26%	0.258	30%	0.3	S	S	.	.	S	Bend	trans	-70	161.5	175	0	0	0	0	0	112.5	I358 R401 E555	G356-I358 VanDerWaalsContact C-N 3.32Å; G356-I358 WeakPolarHBondContact O-CG1 3.45Å; G356-I358 PolarHBondContact O-N 3.29Å; G356-R401 PolarHBondContact O-NH1 3.22Å; G356-R401 PolarHBondContact O-NH2 3.31Å; G356-E555 WeakPolarHBondContact CA-OE2 3.37Å; G356-E555 PolarHBondContact N-OE1 3.09Å; G356-E555 VanDerWaalsContact N-OE1 3.17Å; G356-E555 PolarHBondContact N-OE2 2.63Å
357	N	85.6	Confident	90.5	Very high	114 Å²	114	53 Å²	53	61%	0.61	31%	0.305	S	S	*	.	S	Bend	trans	43.7	44.8	163.8	-59.3	-14.7	0	0	0	116.2	R401	N357-R401 PolarHBondContact O-NH1 2.84Å
358	I	90.7	Very high	90.4	Very high	31 Å²	31	48.1 Å²	48.1	16%	0.159	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-77.1	125.1	-173.4	-59.3	-175.9	0	0	0	110.3	T353 G356 I396 A596	T353-I358 HydrophobicContact CG2-CG2 4.47Å; G356-I358 VanDerWaalsContact C-N 3.32Å; G356-I358 WeakPolarHBondContact O-CG1 3.45Å; G356-I358 PolarHBondContact O-N 3.29Å; I358-I396 HydrophobicContact CG2-CD1 4.09Å; I358-I396 HydrophobicContact CG2-CG1 4.28Å; I358-A596 HydrophobicContact CD1-CB 4.44Å
359	P	92.7	Very high	90.1	Very high	22 Å²	22	50.9 Å²	50.9	14%	0.143	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-62.5	156.4	179.9	26.3	-37.2	0	0	0	112.3	Q392 P395 I396	P359-Q392 PolarHBondContact O-NE2 2.85Å; P359-P395 HydrophobicContact CB-CB 3.85Å; P359-P395 HydrophobicContact CG-CB 3.71Å; P359-I396 HydrophobicContact CG-CB 4.39Å; P359-I396 HydrophobicContact CG-CG1 3.68Å
360	N	94.2	Very high	89.9	Confident	79 Å²	79	49 Å²	49	42%	0.422	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-67.7	140.6	175.7	-68.5	-38.3	0	0	0	111.2	W342	W342-N360 HydrophobicContact CD2-CB 3.85Å; W342-N360 HydrophobicContact CE3-CB 4.05Å; W342-N360 HydrophobicContact CH2-CB 3.87Å; W342-N360 HydrophobicContact CZ2-CB 3.67Å; W342-N360 HydrophobicContact CZ3-CB 4.07Å; W342-N360 PolarHBondContact NE1-ND2 2.95Å
361	P	95.1	Very high	89.7	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.019	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-70.3	154.6	-179.6	28.6	-35.6	0	0	0	112.5	W342 F345 R346 R391 Q392	W342-P361 HydrophobicContact CE3-CG 3.87Å; W342-P361 WeakPolarHBondContact CH2-O 3.16Å; W342-P361 HydrophobicContact CZ3-CG 3.92Å; W342-P361 WeakPolarHBondContact CZ3-O 3.15Å; F345-P361 HydrophobicContact CD1-CB 4.24Å; F345-P361 HydrophobicContact CD1-CG 3.48Å; F345-P361 VanDerWaalsContact CD1-CG 3.48Å; F345-P361 HydrophobicContact CE1-CB 3.77Å; F345-P361 HydrophobicContact CE1-CG 3.52Å; F345-P361 HydrophobicContact CG-CG 4.49Å; R346-P361 HydrophobicContact CG-CG 4.38Å; P361-R391 CarbonylContact C-O 3.5Å; P361-R391 WeakPolarHBondContact CA-O 3.29Å; P361-R391 HydrophobicContact CB-CB 4.17Å; P361-R391 WeakPolarHBondContact CB-O 3.45Å; P361-Q392 HydrophobicContact CB-CB 4.33Å
362	L	94.4	Very high	89.5	Confident	16 Å²	16	51 Å²	51	8%	0.084	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-69.1	128.9	175.5	-59.9	172.8	0	0	0	111.1	F345 M368 R391 I394 P395	F345-L362 WeakPolarHBondContact CZ-O 3.5Å; L362-M368 HydrophobicContact CD1-CB 4.28Å; L362-M368 HydrophobicContact CD1-CG 4.19Å; L362-M368 HydrophobicContact CD1-SD 3.83Å; L362-M368 HydrophobicContact CD2-CB 4.08Å; L362-M368 HydrophobicContact CD2-CG 4.4Å; L362-R391 PolarHBondContact N-O 3.09Å; L362-R391 VanDerWaalsContact O-CG 3.28Å; L362-R391 WeakPolarHBondContact O-CG 3.4Å; L362-R391 PolarHBondContact O-NH1 3.43Å; L362-I394 HydrophobicContact CD1-CB 4.12Å; L362-I394 HydrophobicContact CD1-CD1 4.5Å; L362-I394 HydrophobicContact CD1-CG2 4.05Å; L362-P395 HydrophobicContact CD1-CG 4.46Å; L362-P395 HydrophobicContact CD2-CG 4.13Å; L362-P395 HydrophobicContact CG-CG 3.79Å
363	R	92.8	Very high	89.4	Confident	30 Å²	30	54 Å²	54	11%	0.113	31%	0.312	C	S	.	.	S	Bend	trans	-88.9	-28.6	174.6	-40.9	-177.6	-55.1	144.8	13.9	112	W329 K332 M337 W342 F345 E367 R391	W329-R363 PolarHBondContact O-NH1 3.47Å; W329-R363 VanDerWaalsContact O-NH1 3.08Å; K332-R363 PolarHBondContact O-NH1 3.02Å; K332-R363 PolarHBondContact O-NH2 3.42Å; M337-R363 PolarHBondContact SD-NH1 3.44Å; M337-R363 VanDerWaalsContact SD-NH1 3.38Å; W342-R363 HydrophobicContact CH2-CG 3.67Å; W342-R363 HydrophobicContact CZ3-CG 3.68Å; F345-R363 HydrophobicContact CD2-CG 4.29Å; F345-R363 HydrophobicContact CE2-CB 3.86Å; F345-R363 HydrophobicContact CE2-CG 3.75Å; F345-R363 HydrophobicContact CZ-CB 4.35Å; F345-R363 HydrophobicContact CZ-CG 4.26Å; R363-E367 WeakPolarHBondContact CA-OE2 3.38Å; R363-E367 WeakPolarHBondContact CB-OE2 3.37Å; R363-E367 VanDerWaalsContact CG-OE2 3.27Å; R363-E367 WeakPolarHBondContact CG-OE2 3.48Å; R363-E367 IonicContact CZ-OE1 3.72Å; R363-E367 PolarHBondContact N-OE2 3.06Å; R363-E367 VanDerWaalsContact N-OE2 3.09Å; R363-E367 IonicContact NE-OE1 3.69Å; R363-E367 PolarHBondContact NE-OE1 3.28Å; R363-E367 IonicContact NE-OE2 2.77Å; R363-E367 PolarHBondContact NE-OE2 3.45Å; R363-E367 IonicContact NH2-OE1 2.87Å; R363-E367 PolarHBondContact NH2-OE1 2.83Å; R363-R391 VanDerWaalsContact C-NH1 3.26Å; R363-R391 PolarHBondContact O-NH1 2.8Å
364	S	92.3	Very high	89.3	Confident	30 Å²	30	52 Å²	52	21%	0.21	30%	0.3	C	S	.	.	S	Bend	trans	-151.5	168.5	168.9	68.4	0	0	0	0	110.6	A366 E367	S364-A366 PolarHBondContact O-N 2.85Å; S364-A366 PolarHBondContact OG-N 3.06Å; S364-E367 PolarHBondContact O-N 2.99Å
365	W	92	Very high	89.2	Confident	26 Å²	26	49.1 Å²	49.1	10%	0.098	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-63.9	-24.3	174.9	-63.7	122.7	0	0	0	114	E367 M368 I378 Y383 P386 Q390 I394 I419	W365-E367 VanDerWaalsContact C-N 3.28Å; W365-E367 PolarHBondContact O-N 3.15Å; W365-M368 HydrophobicContact CE3-CE 3.9Å; W365-M368 HydrophobicContact CE3-SD 4.29Å; W365-M368 HydrophobicContact CZ3-CE 4.22Å; W365-M368 HydrophobicContact CZ3-SD 4.35Å; W365-M368 WeakPolarHBondContact O-CB 3.28Å; W365-M368 PolarHBondContact O-N 2.84Å; W365-I378 HydrophobicContact CD2-CG2 3.82Å; W365-I378 HydrophobicContact CE3-CD1 4.27Å; W365-I378 HydrophobicContact CE3-CG2 4.29Å; W365-I378 HydrophobicContact CG-CG2 4.1Å; W365-I378 HydrophobicContact CZ2-CG2 4.07Å; W365-I378 HydrophobicContact CZ3-CD1 4.36Å; W365-Y383 PolarHBondContact NE1-O 3.43Å; W365-P386 HydrophobicContact CD2-CB 4.22Å; W365-P386 HydrophobicContact CD2-CG 4.26Å; W365-P386 HydrophobicContact CE3-CB 4.24Å; W365-P386 HydrophobicContact CE3-CG 4.49Å; W365-P386 HydrophobicContact CH2-CB 3.71Å; W365-P386 VanDerWaalsContact CZ2-CA 3.48Å; W365-P386 HydrophobicContact CZ2-CB 3.66Å; W365-P386 HydrophobicContact CZ2-CG 4.48Å; W365-P386 HydrophobicContact CZ3-CB 4Å; W365-Q390 HydrophobicContact CH2-CB 4.42Å; W365-I394 HydrophobicContact CH2-CD1 4.08Å; W365-I394 HydrophobicContact CZ3-CD1 3.77Å; W365-I419 HydrophobicContact CH2-CD1 3.67Å; W365-I419 HydrophobicContact CZ3-CD1 3.64Å
366	A	87.8	Confident	89.5	Confident	83 Å²	83	50.3 Å²	50.3	69%	0.686	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-68.6	-27.2	-178.8	0	0	0	0	0	113	S364 M368	S364-A366 PolarHBondContact O-N 2.85Å; S364-A366 PolarHBondContact OG-N 3.06Å; A366-M368 VanDerWaalsContact C-N 3.26Å; A366-M368 PolarHBondContact O-N 3.25Å
367	E	87.4	Confident	89.9	Confident	54 Å²	54	49.4 Å²	49.4	25%	0.252	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-80.7	-5.5	-179.5	-63.5	176	168.5	0	0	113.2	L334 R363 S364 W365	L334-E367 HydrophobicContact CD2-CB 4.2Å; L334-E367 HydrophobicContact CD2-CG 4.14Å; R363-E367 WeakPolarHBondContact CA-OE2 3.38Å; R363-E367 WeakPolarHBondContact CB-OE2 3.37Å; R363-E367 VanDerWaalsContact CG-OE2 3.27Å; R363-E367 WeakPolarHBondContact CG-OE2 3.48Å; R363-E367 IonicContact CZ-OE1 3.72Å; R363-E367 PolarHBondContact N-OE2 3.06Å; R363-E367 VanDerWaalsContact N-OE2 3.09Å; R363-E367 IonicContact NE-OE1 3.69Å; R363-E367 PolarHBondContact NE-OE1 3.28Å; R363-E367 IonicContact NE-OE2 2.77Å; R363-E367 PolarHBondContact NE-OE2 3.45Å; R363-E367 IonicContact NH2-OE1 2.87Å; R363-E367 PolarHBondContact NH2-OE1 2.83Å; S364-E367 PolarHBondContact O-N 2.99Å; W365-E367 VanDerWaalsContact C-N 3.28Å; W365-E367 PolarHBondContact O-N 3.15Å
368	M	87.7	Confident	90.2	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.015	25%	0.245	C	C	.	.			trans	-80.1	122.2	-174.6	-174.1	166.9	65.3	0	0	111.9	L362 W365 A366 V370 K375 I378 I394 L398 I419	L362-M368 HydrophobicContact CD1-CB 4.28Å; L362-M368 HydrophobicContact CD1-CG 4.19Å; L362-M368 HydrophobicContact CD1-SD 3.83Å; L362-M368 HydrophobicContact CD2-CB 4.08Å; L362-M368 HydrophobicContact CD2-CG 4.4Å; W365-M368 HydrophobicContact CE3-CE 3.9Å; W365-M368 HydrophobicContact CE3-SD 4.29Å; W365-M368 HydrophobicContact CZ3-CE 4.22Å; W365-M368 HydrophobicContact CZ3-SD 4.35Å; W365-M368 WeakPolarHBondContact O-CB 3.28Å; W365-M368 PolarHBondContact O-N 2.84Å; A366-M368 VanDerWaalsContact C-N 3.26Å; A366-M368 PolarHBondContact O-N 3.25Å; M368-V370 VanDerWaalsContact C-N 3.28Å; M368-V370 HydrophobicContact CE-CG1 4.41Å; M368-V370 HydrophobicContact CE-CG2 3.57Å; M368-V370 HydrophobicContact CG-CB 4.46Å; M368-V370 HydrophobicContact CG-CG1 3.81Å; M368-V370 HydrophobicContact CG-CG2 3.96Å; M368-V370 PolarHBondContact O-N 3.01Å; M368-V370 HydrophobicContact SD-CG1 4.23Å; M368-V370 HydrophobicContact SD-CG2 4.36Å; M368-K375 WeakPolarHBondContact O-CE 3.41Å; M368-I378 HydrophobicContact CE-CD1 3.38Å; M368-I394 HydrophobicContact SD-CG2 3.73Å; M368-L398 HydrophobicContact CG-CD1 4.46Å; M368-I419 HydrophobicContact CE-CG2 3.9Å; M368-I419 HydrophobicContact SD-CG2 3.74Å
369	N	84.5	Confident	90.2	Very high	139 Å²	139	49.5 Å²	49.5	74%	0.743	27%	0.267	S	S	*	.			trans	-80.2	67.9	-179.3	-169	13.4	0	0	0	112.9	R427	N369-R427 PolarHBondContact O-NH2 3.46Å
370	V	84.3	Confident	90.1	Very high	9 Å²	9	56.7 Å²	56.7	6%	0.055	30%	0.296	C	S	.	.	S	Bend	trans	-128.5	167.5	175.4	-60.8	0	0	0	0	110.9	M368 L374 K375 L398 N423	M368-V370 VanDerWaalsContact C-N 3.28Å; M368-V370 HydrophobicContact CE-CG1 4.41Å; M368-V370 HydrophobicContact CE-CG2 3.57Å; M368-V370 HydrophobicContact CG-CB 4.46Å; M368-V370 HydrophobicContact CG-CG1 3.81Å; M368-V370 HydrophobicContact CG-CG2 3.96Å; M368-V370 PolarHBondContact O-N 3.01Å; M368-V370 HydrophobicContact SD-CG1 4.23Å; M368-V370 HydrophobicContact SD-CG2 4.36Å; V370-L374 HydrophobicContact CB-CD2 4.17Å; V370-L374 HydrophobicContact CG1-CD2 4.34Å; V370-L374 HydrophobicContact CG2-CB 4.32Å; V370-L374 HydrophobicContact CG2-CD2 4.19Å; V370-L374 HydrophobicContact CG2-CG 4.47Å; V370-K375 HydrophobicContact CG2-CG 3.85Å; V370-K375 WeakPolarHBondContact O-CE 3.25Å; V370-K375 PolarHBondContact O-NZ 3.49Å; V370-L398 HydrophobicContact CG1-CD1 4.2Å; V370-L398 HydrophobicContact CG1-CD2 4.08Å; V370-N423 HydrophobicContact CB-CB 4.4Å; V370-N423 HydrophobicContact CG1-CB 3.92Å
371	A	84.3	Confident	89.9	Confident	42 Å²	42	54.9 Å²	54.9	35%	0.347	29%	0.288	S	S	.	.			trans	-57.4	142.8	173.9	0	0	0	0	0	112.1	E373 L374 K375	A371-E373 VanDerWaalsContact C-N 3.27Å; A371-E373 PolarHBondContact O-N 3.48Å; A371-L374 WeakPolarHBondContact O-CB 3.38Å; A371-L374 PolarHBondContact O-N 2.91Å; A371-K375 PolarHBondContact O-N 3.06Å
372	D	87.3	Confident	89.5	Confident	104 Å²	104	57.2 Å²	57.2	56%	0.556	31%	0.313	S	S	*	.	H	α-helix	trans	-66.7	-28.8	-175.5	-63.1	-47.2	0	0	0	112.6	L374 K375 D376	D372-L374 VanDerWaalsContact C-N 3.27Å; D372-L374 PolarHBondContact O-N 3.17Å; D372-K375 WeakPolarHBondContact O-CB 3.42Å; D372-K375 PolarHBondContact O-N 3Å; D372-K375 VanDerWaalsContact O-N 3.08Å; D372-K375 WeakPolarHBondContact OD1-CD 3.34Å; D372-K375 WeakPolarHBondContact OD1-CE 3.5Å; D372-K375 IonicContact OD1-NZ 3.2Å; D372-K375 PolarHBondContact OD1-NZ 3.16Å; D372-D376 PolarHBondContact O-N 3.38Å
373	E	89.4	Confident	89.1	Confident	133 Å²	133	59 Å²	59	62%	0.621	32%	0.319	S	S	*	.	H	α-helix	trans	-52.5	-44	169.6	-64.3	-176.4	-178	0	0	111.9	A371 D376 V377	A371-E373 VanDerWaalsContact C-N 3.27Å; A371-E373 PolarHBondContact O-N 3.48Å; E373-D376 PolarHBondContact O-N 3.3Å; E373-V377 WeakPolarHBondContact O-CG2 3.44Å; E373-V377 PolarHBondContact O-N 2.79Å
374	L	90.6	Very high	88.8	Confident	0 Å²	0	63 Å²	63	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-69.5	-37.1	178.7	-175	58.6	0	0	0	111.8	V370 A371 D372 D376 V377 I378 I419 L422 N423 L467	V370-L374 HydrophobicContact CB-CD2 4.17Å; V370-L374 HydrophobicContact CG1-CD2 4.34Å; V370-L374 HydrophobicContact CG2-CB 4.32Å; V370-L374 HydrophobicContact CG2-CD2 4.19Å; V370-L374 HydrophobicContact CG2-CG 4.47Å; A371-L374 WeakPolarHBondContact O-CB 3.38Å; A371-L374 PolarHBondContact O-N 2.91Å; D372-L374 VanDerWaalsContact C-N 3.27Å; D372-L374 PolarHBondContact O-N 3.17Å; L374-D376 VanDerWaalsContact C-N 3.32Å; L374-V377 PolarHBondContact O-N 2.79Å; L374-I378 HydrophobicContact CG-CD1 4.24Å; L374-I378 WeakPolarHBondContact O-CD1 3.33Å; L374-I378 VanDerWaalsContact O-CG1 3.26Å; L374-I378 WeakPolarHBondContact O-CG1 3.32Å; L374-I378 PolarHBondContact O-N 3.46Å; L374-I419 HydrophobicContact CD2-CG2 4.19Å; L374-L422 HydrophobicContact CD1-CB 4.15Å; L374-L422 HydrophobicContact CD1-CD1 4.28Å; L374-N423 HydrophobicContact CD2-CB 3.76Å; L374-L467 HydrophobicContact CD1-CD1 4.03Å
375	K	90.7	Very high	88.8	Confident	45 Å²	45	66.3 Å²	66.3	20%	0.196	36%	0.361	C	S	.	.	H	α-helix	trans	-63.7	-40.3	175	-59.3	177	-167	153.2	0	111.1	M368 V370 A371 D372 I378 K379	M368-K375 WeakPolarHBondContact O-CE 3.41Å; V370-K375 HydrophobicContact CG2-CG 3.85Å; V370-K375 WeakPolarHBondContact O-CE 3.25Å; V370-K375 PolarHBondContact O-NZ 3.49Å; A371-K375 PolarHBondContact O-N 3.06Å; D372-K375 WeakPolarHBondContact O-CB 3.42Å; D372-K375 PolarHBondContact O-N 3Å; D372-K375 VanDerWaalsContact O-N 3.08Å; D372-K375 WeakPolarHBondContact OD1-CD 3.34Å; D372-K375 WeakPolarHBondContact OD1-CE 3.5Å; D372-K375 IonicContact OD1-NZ 3.2Å; D372-K375 PolarHBondContact OD1-NZ 3.16Å; K375-I378 PolarHBondContact O-N 3.1Å; K375-K379 WeakPolarHBondContact O-CG 3.23Å; K375-K379 PolarHBondContact O-N 3.1Å
376	D	91.2	Very high	88.8	Confident	69 Å²	69	65.3 Å²	65.3	37%	0.369	36%	0.357	S	S	.	.	H	α-helix	trans	-72.1	-32.7	178.1	-74.8	-12	0	0	0	112.6	D372 E373 L374 K379 K380	D372-D376 PolarHBondContact O-N 3.38Å; E373-D376 PolarHBondContact O-N 3.3Å; L374-D376 VanDerWaalsContact C-N 3.32Å; D376-K379 IonicContact OD1-NZ 3.75Å; D376-K379 PolarHBondContact OD1-NZ 2.99Å; D376-K380 WeakPolarHBondContact O-CB 3.44Å; D376-K380 WeakPolarHBondContact O-CG 3.42Å; D376-K380 PolarHBondContact O-N 3.4Å
377	V	92.3	Very high	89	Confident	6 Å²	6	63 Å²	63	4%	0.036	34%	0.335	C	S	.	.	H	α-helix	trans	-63.7	-46.1	168.2	173	0	0	0	0	111.1	E373 L374 K379 K380 V381 F463 P466 L467	E373-V377 WeakPolarHBondContact O-CG2 3.44Å; E373-V377 PolarHBondContact O-N 2.79Å; L374-V377 PolarHBondContact O-N 2.79Å; V377-K379 VanDerWaalsContact C-N 3.3Å; V377-K379 PolarHBondContact O-N 2.86Å; V377-K380 PolarHBondContact O-N 2.84Å; V377-K380 VanDerWaalsContact O-N 3.1Å; V377-V381 HydrophobicContact CG1-CG2 4.07Å; V377-V381 WeakPolarHBondContact O-CG2 3.37Å; V377-V381 PolarHBondContact O-N 3.32Å; V377-F463 HydrophobicContact CG1-CD1 3.78Å; V377-F463 HydrophobicContact CG1-CE1 4.46Å; V377-P466 HydrophobicContact CG1-CG 4.39Å; V377-P466 HydrophobicContact CG2-CB 3.65Å; V377-P466 HydrophobicContact CG2-CG 4.26Å; V377-L467 HydrophobicContact CG2-CD2 3.83Å; V377-L467 HydrophobicContact CG2-CG 4.28Å
378	I	92.3	Very high	89.3	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-56.3	-44.2	176.9	-69.4	162	0	0	0	111.4	W365 M368 L374 K375 G382 Y383 I419 F463	W365-I378 HydrophobicContact CD2-CG2 3.82Å; W365-I378 HydrophobicContact CE3-CD1 4.27Å; W365-I378 HydrophobicContact CE3-CG2 4.29Å; W365-I378 HydrophobicContact CG-CG2 4.1Å; W365-I378 HydrophobicContact CZ2-CG2 4.07Å; W365-I378 HydrophobicContact CZ3-CD1 4.36Å; M368-I378 HydrophobicContact CE-CD1 3.38Å; L374-I378 HydrophobicContact CG-CD1 4.24Å; L374-I378 WeakPolarHBondContact O-CD1 3.33Å; L374-I378 VanDerWaalsContact O-CG1 3.26Å; L374-I378 WeakPolarHBondContact O-CG1 3.32Å; L374-I378 PolarHBondContact O-N 3.46Å; K375-I378 PolarHBondContact O-N 3.1Å; I378-G382 PolarHBondContact O-N 3.41Å; I378-Y383 PolarHBondContact O-N 3.42Å; I378-I419 HydrophobicContact CD1-CD1 3.77Å; I378-I419 HydrophobicContact CD1-CG1 4.17Å; I378-I419 HydrophobicContact CG1-CD1 4.14Å; I378-F463 HydrophobicContact CG1-CE1 3.82Å
379	K	90.7	Very high	89.5	Confident	144 Å²	144	62.1 Å²	62.1	63%	0.626	33%	0.334	S	S	*	.	H	α-helix	trans	-61.8	-47.6	173.8	-67	170.7	-162.6	157	0	112	K375 D376 V377 V381 G382	K375-K379 WeakPolarHBondContact O-CG 3.23Å; K375-K379 PolarHBondContact O-N 3.1Å; D376-K379 IonicContact OD1-NZ 3.75Å; D376-K379 PolarHBondContact OD1-NZ 2.99Å; V377-K379 VanDerWaalsContact C-N 3.3Å; V377-K379 PolarHBondContact O-N 2.86Å; K379-V381 PolarHBondContact O-N 3.45Å; K379-G382 PolarHBondContact O-N 3.46Å; K379-G382 VanDerWaalsContact O-N 3.13Å
380	K	91.4	Very high	90	Very high	173 Å²	173	55.5 Å²	55.5	75%	0.752	30%	0.299	S	S	*	.	H	α-helix	trans	-65.2	-34.2	-178.2	-76.3	170.5	-176.7	174.4	0	113.7	D376 V377 G382	D376-K380 WeakPolarHBondContact O-CB 3.44Å; D376-K380 WeakPolarHBondContact O-CG 3.42Å; D376-K380 PolarHBondContact O-N 3.4Å; V377-K380 PolarHBondContact O-N 2.84Å; V377-K380 VanDerWaalsContact O-N 3.1Å; K380-G382 PolarHBondContact O-N 2.94Å
381	V	88.8	Confident	90.6	Very high	41 Å²	41	55.5 Å²	55.5	25%	0.248	30%	0.298	C	S	.	.	H	α-helix	trans	-73.6	-17.8	176.1	-179.9	0	0	0	0	111.5	V377 K379 Y383 K462 F463	V377-V381 HydrophobicContact CG1-CG2 4.07Å; V377-V381 WeakPolarHBondContact O-CG2 3.37Å; V377-V381 PolarHBondContact O-N 3.32Å; K379-V381 PolarHBondContact O-N 3.45Å; V381-Y383 HydrophobicContact CB-CD2 4.23Å; V381-Y383 HydrophobicContact CB-CE2 4.5Å; V381-Y383 HydrophobicContact CG1-CD2 3.87Å; V381-Y383 HydrophobicContact CG1-CE2 3.68Å; V381-K462 HydrophobicContact CG1-CB 4.24Å; V381-K462 HydrophobicContact CG1-CD 4.31Å; V381-K462 HydrophobicContact CG2-CB 4.18Å; V381-F463 HydrophobicContact CB-CE1 4.45Å; V381-F463 HydrophobicContact CB-CZ 4.3Å; V381-F463 HydrophobicContact CG1-CE2 4.07Å; V381-F463 HydrophobicContact CG1-CZ 4.12Å; V381-F463 HydrophobicContact CG2-CD1 4.36Å; V381-F463 HydrophobicContact CG2-CE1 4.32Å
382	G	87.6	Confident	91.1	Very high	53 Å²	53	53.5 Å²	53.5	55%	0.546	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.4	35.3	173.3	0	0	0	0	0	114.4	I378 K379 K380 P384	I378-G382 PolarHBondContact O-N 3.41Å; K379-G382 PolarHBondContact O-N 3.46Å; K379-G382 VanDerWaalsContact O-N 3.13Å; K380-G382 PolarHBondContact O-N 2.94Å; G382-P384 WeakPolarHBondContact O-CD 3.37Å
383	Y	85.8	Confident	91.5	Very high	54 Å²	54	48.6 Å²	48.6	21%	0.212	26%	0.255	C	S	.	.			trans	-96	93.4	171.4	-78.2	-90.9	0	0	0	110.4	W365 I378 V381 A415 E459 F463	W365-Y383 PolarHBondContact NE1-O 3.43Å; I378-Y383 PolarHBondContact O-N 3.42Å; V381-Y383 HydrophobicContact CB-CD2 4.23Å; V381-Y383 HydrophobicContact CB-CE2 4.5Å; V381-Y383 HydrophobicContact CG1-CD2 3.87Å; V381-Y383 HydrophobicContact CG1-CE2 3.68Å; Y383-A415 HydrophobicContact CE1-CB 4.47Å; Y383-E459 WeakPolarHBondContact CE2-OE1 3.4Å; Y383-E459 PolarHBondContact OH-OE1 3.4Å; Y383-E459 VanDerWaalsContact OH-OE1 3.14Å; Y383-F463 HydrophobicContact CD2-CE2 4.3Å; Y383-F463 AromaticContact CD2-CZ 3.66Å; Y383-F463 HydrophobicContact CD2-CZ 3.66Å; Y383-F463 AromaticContact CE2-CE2 3.66Å; Y383-F463 HydrophobicContact CE2-CE2 3.66Å; Y383-F463 AromaticContact CE2-CZ 3.5Å; Y383-F463 HydrophobicContact CE2-CZ 3.5Å; Y383-F463 VanDerWaalsContact CE2-CZ 3.5Å
384	P	87.4	Confident	91.8	Very high	114 Å²	114	42.3 Å²	42.3	74%	0.74	23%	0.225	S	C	*	.			trans	-68	-39.7	-174.6	26.6	-35.3	0	0	0	112.9	G382	G382-P384 WeakPolarHBondContact O-CD 3.37Å
385	E	90.7	Very high	92	Very high	99 Å²	99	43 Å²	43	46%	0.463	23%	0.23	S	C	.	.	S	Bend	trans	-139.5	144.5	-176	-82.5	-67.4	142.2	0	0	109.7	R391	E385-R391 IonicContact OE2-CZ 2.83Å; E385-R391 IonicContact OE2-NH1 2.58Å; E385-R391 IonicContact OE2-NH2 3.87Å; E385-R391 PolarHBondContact OE2-NH2 3.07Å
386	P	93.5	Very high	92.1	Very high	4 Å²	4	40.8 Å²	40.8	3%	0.026	22%	0.22	C	C	.	.			trans	-68.4	140.9	176	24	-29.5	0	0	0	111.5	W365 Q390 R391	W365-P386 HydrophobicContact CD2-CB 4.22Å; W365-P386 HydrophobicContact CD2-CG 4.26Å; W365-P386 HydrophobicContact CE3-CB 4.24Å; W365-P386 HydrophobicContact CE3-CG 4.49Å; W365-P386 HydrophobicContact CH2-CB 3.71Å; W365-P386 VanDerWaalsContact CZ2-CA 3.48Å; W365-P386 HydrophobicContact CZ2-CB 3.66Å; W365-P386 HydrophobicContact CZ2-CG 4.48Å; W365-P386 HydrophobicContact CZ3-CB 4Å; P386-Q390 HydrophobicContact CB-CB 4.06Å; P386-R391 HydrophobicContact CB-CG 3.79Å; P386-R391 HydrophobicContact CG-CG 3.8Å; P386-R391 VanDerWaalsContact O-CZ 3.22Å; P386-R391 PolarHBondContact O-NE 2.96Å; P386-R391 PolarHBondContact O-NH2 3.32Å
387	T	92.1	Very high	92.2	Very high	36 Å²	36	37.5 Å²	37.5	22%	0.221	20%	0.203	C	C	.	.			trans	-75	161.4	174.1	70.9	0	0	0	0	111.3	I389 Q390 R391 S411	T387-I389 VanDerWaalsContact C-N 3.28Å; T387-I389 PolarHBondContact O-N 2.94Å; T387-I389 VanDerWaalsContact O-N 3.14Å; T387-Q390 WeakPolarHBondContact O-CA 3.48Å; T387-Q390 WeakPolarHBondContact O-CB 3.07Å; T387-Q390 PolarHBondContact O-N 3.22Å; T387-Q390 VanDerWaalsContact OG1-CG 3.28Å; T387-Q390 WeakPolarHBondContact OG1-CG 3.26Å; T387-R391 WeakPolarHBondContact O-CG 3.25Å; T387-R391 PolarHBondContact O-N 2.76Å; T387-S411 WeakPolarHBondContact CB-O 3.44Å; T387-S411 PolarHBondContact OG1-O 2.94Å
388	P	92.2	Very high	92.2	Very high	38 Å²	38	38.6 Å²	38.6	25%	0.247	21%	0.208	C	C	.	.	H	α-helix	trans	-51.4	-40.6	-178	-30.9	37.5	0	0	0	114.9	F349 I351 I600	F349-P388 HydrophobicContact CB-CB 4.29Å; F349-P388 HydrophobicContact CB-CG 4.33Å; F349-P388 HydrophobicContact CD1-CG 4.06Å; I351-P388 HydrophobicContact CD1-CB 4.32Å; I351-P388 WeakPolarHBondContact CD1-O 3.43Å; I351-P388 HydrophobicContact CG1-CB 4.19Å; P388-I600 HydrophobicContact CB-CD1 3.94Å; P388-I600 HydrophobicContact CB-CG2 3.82Å
389	I	93	Very high	92.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-68.2	-41.9	176	-166.3	60.8	0	0	0	111.9	T387 R391 Q392 A393 A407 S411 A416 F576 V598 I600	T387-I389 VanDerWaalsContact C-N 3.28Å; T387-I389 PolarHBondContact O-N 2.94Å; T387-I389 VanDerWaalsContact O-N 3.14Å; I389-R391 PolarHBondContact O-N 3.35Å; I389-Q392 PolarHBondContact O-N 2.88Å; I389-A393 HydrophobicContact CD1-CB 4.43Å; I389-A393 HydrophobicContact CG1-CB 4.45Å; I389-A393 WeakPolarHBondContact O-CB 3.26Å; I389-A393 PolarHBondContact O-N 2.89Å; I389-A407 HydrophobicContact CB-CB 4.48Å; I389-A407 HydrophobicContact CD1-CB 4.28Å; I389-A407 HydrophobicContact CG1-CB 4.33Å; I389-S411 WeakPolarHBondContact CG2-O 3.39Å; I389-A416 HydrophobicContact CG2-CB 4.34Å; I389-F576 HydrophobicContact CD1-CE1 4.02Å; I389-F576 HydrophobicContact CG1-CE1 3.71Å; I389-V598 HydrophobicContact CD1-CB 4.17Å; I389-V598 HydrophobicContact CD1-CG1 3.81Å; I389-I600 HydrophobicContact CB-CD1 4.38Å; I389-I600 HydrophobicContact CB-CG1 3.97Å; I389-I600 HydrophobicContact CD1-CD1 4.25Å; I389-I600 HydrophobicContact CD1-CG1 3.79Å; I389-I600 HydrophobicContact CG1-CG1 4.43Å
390	Q	95.2	Very high	92.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-43.4	177.8	-68.2	165	4	0	0	111.1	W365 P386 T387 Q392 I394 G412 A416	W365-Q390 HydrophobicContact CH2-CB 4.42Å; P386-Q390 HydrophobicContact CB-CB 4.06Å; T387-Q390 WeakPolarHBondContact O-CA 3.48Å; T387-Q390 WeakPolarHBondContact O-CB 3.07Å; T387-Q390 PolarHBondContact O-N 3.22Å; T387-Q390 VanDerWaalsContact OG1-CG 3.28Å; T387-Q390 WeakPolarHBondContact OG1-CG 3.26Å; Q390-Q392 VanDerWaalsContact C-N 3.29Å; Q390-Q392 PolarHBondContact O-N 2.77Å; Q390-I394 HydrophobicContact CB-CD1 3.77Å; Q390-I394 HydrophobicContact CB-CG1 4.46Å; Q390-I394 HydrophobicContact CG-CD1 4.3Å; Q390-I394 VanDerWaalsContact O-CB 3.29Å; Q390-I394 WeakPolarHBondContact O-CB 3.49Å; Q390-I394 WeakPolarHBondContact O-CD1 3.33Å; Q390-I394 VanDerWaalsContact O-CG1 3.24Å; Q390-I394 WeakPolarHBondContact O-CG1 3.48Å; Q390-I394 PolarHBondContact O-N 3.06Å; Q390-I394 VanDerWaalsContact O-N 3.1Å; Q390-G412 PolarHBondContact NE2-O 3.06Å; Q390-A416 HydrophobicContact CB-CB 4.36Å; Q390-A416 HydrophobicContact CG-CB 3.76Å
391	R	95.4	Very high	92.2	Very high	9 Å²	9	24.5 Å²	24.5	3%	0.034	15%	0.147	C	C	.	.	H	α-helix	trans	-53.4	-44.5	-179.7	-70.3	176.6	-177.1	-83.6	-2	112.3	I351 P361 L362 R363 E385 P386 T387 I389 P395	I351-R391 HydrophobicContact CD1-CB 4.43Å; P361-R391 CarbonylContact C-O 3.5Å; P361-R391 WeakPolarHBondContact CA-O 3.29Å; P361-R391 HydrophobicContact CB-CB 4.17Å; P361-R391 WeakPolarHBondContact CB-O 3.45Å; L362-R391 PolarHBondContact N-O 3.09Å; L362-R391 VanDerWaalsContact O-CG 3.28Å; L362-R391 WeakPolarHBondContact O-CG 3.4Å; L362-R391 PolarHBondContact O-NH1 3.43Å; R363-R391 VanDerWaalsContact C-NH1 3.26Å; R363-R391 PolarHBondContact O-NH1 2.8Å; E385-R391 IonicContact OE2-CZ 2.83Å; E385-R391 IonicContact OE2-NH1 2.58Å; E385-R391 IonicContact OE2-NH2 3.87Å; E385-R391 PolarHBondContact OE2-NH2 3.07Å; P386-R391 HydrophobicContact CB-CG 3.79Å; P386-R391 HydrophobicContact CG-CG 3.8Å; P386-R391 VanDerWaalsContact O-CZ 3.22Å; P386-R391 PolarHBondContact O-NE 2.96Å; P386-R391 PolarHBondContact O-NH2 3.32Å; T387-R391 WeakPolarHBondContact O-CG 3.25Å; T387-R391 PolarHBondContact O-N 2.76Å; I389-R391 PolarHBondContact O-N 3.35Å; R391-P395 VanDerWaalsContact O-CD 3.23Å; R391-P395 WeakPolarHBondContact O-CD 3.14Å; R391-P395 WeakPolarHBondContact O-CG 3.14Å
392	Q	95.4	Very high	92.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-97.4	-34	-175.6	-173.6	60.9	88.3	0	0	113.8	I351 T353 P359 P361 I389 Q390 I396 V598	I351-Q392 HydrophobicContact CD1-CB 4.32Å; I351-Q392 HydrophobicContact CG2-CB 3.93Å; I351-Q392 HydrophobicContact CG2-CG 3.96Å; T353-Q392 HydrophobicContact CG2-CG 3.66Å; P359-Q392 PolarHBondContact O-NE2 2.85Å; P361-Q392 HydrophobicContact CB-CB 4.33Å; I389-Q392 PolarHBondContact O-N 2.88Å; Q390-Q392 VanDerWaalsContact C-N 3.29Å; Q390-Q392 PolarHBondContact O-N 2.77Å; Q392-I396 HydrophobicContact CG-CD1 4.27Å; Q392-I396 VanDerWaalsContact O-CD1 3.24Å; Q392-I396 WeakPolarHBondContact O-CD1 2.98Å; Q392-I396 WeakPolarHBondContact O-CG1 3.46Å; Q392-V598 HydrophobicContact CB-CG1 3.94Å; Q392-V598 HydrophobicContact CG-CG1 3.87Å; Q392-V598 HydrophobicContact CG-CG2 3.91Å
393	A	96	Very high	92.9	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.008	11%	0.111	C	C	.	.	H	α-helix	trans	-77.4	-32.9	-178	0	0	0	0	0	113.4	I389 I396 G397 I403 A416	I389-A393 HydrophobicContact CD1-CB 4.43Å; I389-A393 HydrophobicContact CG1-CB 4.45Å; I389-A393 WeakPolarHBondContact O-CB 3.26Å; I389-A393 PolarHBondContact O-N 2.89Å; A393-I396 PolarHBondContact O-N 3.2Å; A393-G397 PolarHBondContact O-N 3.16Å; A393-I403 HydrophobicContact CB-CD1 4.35Å; A393-I403 WeakPolarHBondContact O-CD1 3.38Å; A393-A416 HydrophobicContact CB-CB 4.33Å
394	I	95.7	Very high	93.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.2	-47.1	-179.5	-65.2	169.6	0	0	0	111.8	L362 W365 M368 Q390 I396 G397 L398 A416 I419 P420	L362-I394 HydrophobicContact CD1-CB 4.12Å; L362-I394 HydrophobicContact CD1-CD1 4.5Å; L362-I394 HydrophobicContact CD1-CG2 4.05Å; W365-I394 HydrophobicContact CH2-CD1 4.08Å; W365-I394 HydrophobicContact CZ3-CD1 3.77Å; M368-I394 HydrophobicContact SD-CG2 3.73Å; Q390-I394 HydrophobicContact CB-CD1 3.77Å; Q390-I394 HydrophobicContact CB-CG1 4.46Å; Q390-I394 HydrophobicContact CG-CD1 4.3Å; Q390-I394 VanDerWaalsContact O-CB 3.29Å; Q390-I394 WeakPolarHBondContact O-CB 3.49Å; Q390-I394 WeakPolarHBondContact O-CD1 3.33Å; Q390-I394 VanDerWaalsContact O-CG1 3.24Å; Q390-I394 WeakPolarHBondContact O-CG1 3.48Å; Q390-I394 PolarHBondContact O-N 3.06Å; Q390-I394 VanDerWaalsContact O-N 3.1Å; I394-I396 PolarHBondContact O-N 2.93Å; I394-G397 WeakPolarHBondContact O-CA 3.49Å; I394-G397 PolarHBondContact O-N 3.19Å; I394-G397 VanDerWaalsContact O-N 3.1Å; I394-L398 HydrophobicContact CG2-CD1 4.04Å; I394-L398 HydrophobicContact CG2-CG 4.36Å; I394-L398 WeakPolarHBondContact O-CG 3.43Å; I394-L398 PolarHBondContact O-N 3.17Å; I394-A416 WeakPolarHBondContact CG1-O 3.22Å; I394-I419 HydrophobicContact CD1-CB 4.12Å; I394-I419 HydrophobicContact CD1-CD1 3.73Å; I394-I419 HydrophobicContact CD1-CG2 4.19Å; I394-I419 HydrophobicContact CG1-CB 4.41Å; I394-I419 HydrophobicContact CG2-CG2 3.84Å; I394-P420 HydrophobicContact CG2-CG 4.23Å
395	P	94.1	Very high	93.7	Very high	14 Å²	14	12.8 Å²	12.8	9%	0.091	7%	0.068	C	C	.	.	H	α-helix	trans	-57	-43.5	174.4	-29.4	38	0	0	0	114	P359 L362 R391 G397 L398 Q399	P359-P395 HydrophobicContact CB-CB 3.85Å; P359-P395 HydrophobicContact CG-CB 3.71Å; L362-P395 HydrophobicContact CD1-CG 4.46Å; L362-P395 HydrophobicContact CD2-CG 4.13Å; L362-P395 HydrophobicContact CG-CG 3.79Å; R391-P395 VanDerWaalsContact O-CD 3.23Å; R391-P395 WeakPolarHBondContact O-CD 3.14Å; R391-P395 WeakPolarHBondContact O-CG 3.14Å; P395-G397 VanDerWaalsContact C-N 3.29Å; P395-G397 PolarHBondContact O-N 2.87Å; P395-L398 PolarHBondContact O-N 3.42Å; P395-Q399 PolarHBondContact O-N 3.44Å
396	I	94.1	Very high	93.7	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-63.7	-39.7	175.6	-57.4	163.8	0	0	0	110.2	I358 P359 Q392 A393 I394 L398 Q399 R401 I403 A596 V598	I358-I396 HydrophobicContact CG2-CD1 4.09Å; I358-I396 HydrophobicContact CG2-CG1 4.28Å; P359-I396 HydrophobicContact CG-CB 4.39Å; P359-I396 HydrophobicContact CG-CG1 3.68Å; Q392-I396 HydrophobicContact CG-CD1 4.27Å; Q392-I396 VanDerWaalsContact O-CD1 3.24Å; Q392-I396 WeakPolarHBondContact O-CD1 2.98Å; Q392-I396 WeakPolarHBondContact O-CG1 3.46Å; A393-I396 PolarHBondContact O-N 3.2Å; I394-I396 PolarHBondContact O-N 2.93Å; I396-L398 VanDerWaalsContact C-N 3.35Å; I396-L398 PolarHBondContact O-N 3.49Å; I396-Q399 PolarHBondContact O-N 3.48Å; I396-R401 HydrophobicContact CG2-CB 3.6Å; I396-R401 PolarHBondContact O-N 2.86Å; I396-I403 HydrophobicContact CB-CD1 3.92Å; I396-I403 HydrophobicContact CB-CG1 4.18Å; I396-I403 HydrophobicContact CG2-CD1 3.87Å; I396-I403 HydrophobicContact CG2-CG1 3.6Å; I396-A596 HydrophobicContact CD1-CB 4.02Å; I396-A596 HydrophobicContact CG2-CB 3.94Å; I396-V598 HydrophobicContact CD1-CG2 3.57Å
397	G	93.4	Very high	93.4	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-57.1	-46.4	176.1	0	0	0	0	0	112.2	A393 I394 P395 Q399 N400 Q572	A393-G397 PolarHBondContact O-N 3.16Å; I394-G397 WeakPolarHBondContact O-CA 3.49Å; I394-G397 PolarHBondContact O-N 3.19Å; I394-G397 VanDerWaalsContact O-N 3.1Å; P395-G397 VanDerWaalsContact C-N 3.29Å; P395-G397 PolarHBondContact O-N 2.87Å; G397-Q399 PolarHBondContact O-N 3.27Å; G397-N400 PolarHBondContact O-N 2.96Å; G397-Q572 PolarHBondContact O-NE2 3.16Å; G397-Q572 PolarHBondContact O-OE1 2.91Å
398	L	91.7	Very high	92.4	Very high	28 Å²	28	10.2 Å²	10.2	15%	0.147	5%	0.054	C	C	.	.	H	α-helix	trans	-68	-15.7	-179.8	-67.6	170.7	0	0	0	114.1	M368 V370 I394 P395 I396 P420 N423	M368-L398 HydrophobicContact CG-CD1 4.46Å; V370-L398 HydrophobicContact CG1-CD1 4.2Å; V370-L398 HydrophobicContact CG1-CD2 4.08Å; I394-L398 HydrophobicContact CG2-CD1 4.04Å; I394-L398 HydrophobicContact CG2-CG 4.36Å; I394-L398 WeakPolarHBondContact O-CG 3.43Å; I394-L398 PolarHBondContact O-N 3.17Å; P395-L398 PolarHBondContact O-N 3.42Å; I396-L398 VanDerWaalsContact C-N 3.35Å; I396-L398 PolarHBondContact O-N 3.49Å; L398-P420 HydrophobicContact CD2-CB 4.43Å; L398-N423 HydrophobicContact CD2-CB 4.22Å; L398-N423 VanDerWaalsContact CD2-ND2 3.29Å; L398-N423 WeakPolarHBondContact CD2-ND2 3.38Å
399	Q	89.4	Confident	91.3	Very high	23 Å²	23	9.9 Å²	9.9	11%	0.107	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	1.4	174.6	-66.8	173.2	-35.8	0	0	113.7	P395 I396 G397 R401 D557 L560	P395-Q399 PolarHBondContact O-N 3.44Å; I396-Q399 PolarHBondContact O-N 3.48Å; G397-Q399 PolarHBondContact O-N 3.27Å; Q399-R401 VanDerWaalsContact C-N 3.28Å; Q399-R401 HydrophobicContact CB-CG 4.15Å; Q399-R401 PolarHBondContact O-N 3.38Å; Q399-D557 PolarHBondContact NE2-OD1 2.87Å; Q399-D557 VanDerWaalsContact NE2-OD1 3.12Å; Q399-D557 PolarHBondContact NE2-OD2 2.94Å; Q399-D557 PolarHBondContact OE1-OD1 2.89Å; Q399-L560 VanDerWaalsContact O-CB 3.29Å; Q399-L560 WeakPolarHBondContact O-CB 3.27Å
400	N	92	Very high	90.2	Very high	1 Å²	1	13 Å²	13	1%	0.005	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	39.7	-167.8	-160.8	-6.8	0	0	0	113.3	G397 K548 L560 F564 Y570 Q572	G397-N400 PolarHBondContact O-N 2.96Å; N400-K548 WeakPolarHBondContact O-CE 3.36Å; N400-K548 PolarHBondContact O-NZ 3.26Å; N400-K548 VanDerWaalsContact OD1-CE 3.32Å; N400-K548 WeakPolarHBondContact OD1-CE 3.33Å; N400-K548 PolarHBondContact OD1-NZ 2.82Å; N400-L560 HydrophobicContact CB-CB 4.46Å; N400-F564 HydrophobicContact CB-CD2 3.62Å; N400-F564 HydrophobicContact CB-CE2 4.04Å; N400-F564 HydrophobicContact CB-CG 4.47Å; N400-Y570 PolarHBondContact ND2-O 3.07Å; N400-Y570 PolarHBondContact OD1-O 3.22Å; N400-Q572 WeakPolarHBondContact OD1-CB 3.13Å
401	R	92.7	Very high	89.4	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.092	C	C	.	.			trans	-96.7	144.3	171.2	-72.6	-174.8	65.1	-169.1	1.9	110.9	G356 N357 I396 Q399 E555 L560 Q572	G356-R401 PolarHBondContact O-NH1 3.22Å; G356-R401 PolarHBondContact O-NH2 3.31Å; N357-R401 PolarHBondContact O-NH1 2.84Å; I396-R401 HydrophobicContact CG2-CB 3.6Å; I396-R401 PolarHBondContact O-N 2.86Å; Q399-R401 VanDerWaalsContact C-N 3.28Å; Q399-R401 HydrophobicContact CB-CG 4.15Å; Q399-R401 PolarHBondContact O-N 3.38Å; R401-E555 IonicContact NH2-OE1 3.42Å; R401-L560 HydrophobicContact CG-CD1 3.42Å; R401-L560 VanDerWaalsContact CG-CD1 3.42Å; R401-Q572 PolarHBondContact O-NE2 3.19Å
402	D	95.5	Very high	88.9	Confident	3 Å²	3	14.6 Å²	14.6	2%	0.016	10%	0.099	C	C	.	.			trans	-72.2	149.5	176.3	-75.3	0.5	0	0	0	110.2	K548 Q572 T573 L592 R593 P595 A596	D402-K548 IonicContact OD1-NZ 3.18Å; D402-K548 PolarHBondContact OD1-NZ 2.82Å; D402-Q572 WeakPolarHBondContact OD1-CA 3.21Å; D402-T573 WeakPolarHBondContact CA-O 3.37Å; D402-T573 WeakPolarHBondContact CB-O 3.36Å; D402-T573 PolarHBondContact OD1-N 2.78Å; D402-L592 HydrophobicContact CB-CB 4.21Å; D402-L592 HydrophobicContact CB-CD2 4.18Å; D402-L592 HydrophobicContact CB-CG 4.47Å; D402-L592 WeakPolarHBondContact OD2-CA 3.49Å; D402-R593 PolarHBondContact OD2-N 3.13Å; D402-P595 HydrophobicContact CB-CB 3.9Å; D402-P595 CarbonylContact O-C 3.55Å; D402-P595 VanDerWaalsContact O-CA 3.29Å; D402-P595 WeakPolarHBondContact O-CA 3.34Å; D402-A596 PolarHBondContact O-N 3.09Å
403	I	96.3	Very high	88.7	Confident	4 Å²	4	15 Å²	15	2%	0.021	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	134.9	-169.5	-57.9	175.4	0	0	0	111	A393 I396 T573 V574 M575 L592 A596	A393-I403 HydrophobicContact CB-CD1 4.35Å; A393-I403 WeakPolarHBondContact O-CD1 3.38Å; I396-I403 HydrophobicContact CB-CD1 3.92Å; I396-I403 HydrophobicContact CB-CG1 4.18Å; I396-I403 HydrophobicContact CG2-CD1 3.87Å; I396-I403 HydrophobicContact CG2-CG1 3.6Å; I403-T573 PolarHBondContact N-O 3.18Å; I403-T573 VanDerWaalsContact N-O 3.08Å; I403-V574 HydrophobicContact CB-CG1 4.09Å; I403-V574 HydrophobicContact CB-CG2 4.22Å; I403-V574 HydrophobicContact CD1-CG2 4.32Å; I403-V574 HydrophobicContact CG1-CG2 4.44Å; I403-V574 HydrophobicContact CG2-CG1 4.41Å; I403-V574 WeakPolarHBondContact O-CA 3.41Å; I403-M575 PolarHBondContact O-N 2.95Å; I403-L592 WeakPolarHBondContact O-CD2 3.38Å; I403-A596 WeakPolarHBondContact CA-O 3.47Å
404	I	96.1	Very high	88.6	Confident	8 Å²	8	16.4 Å²	16.4	4%	0.041	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	103.6	161.3	-58	176.6	0	0	0	108.4	V406 M575 M580 A588 L592 P595 A596 M597 V598	I404-V406 HydrophobicContact CG2-CG2 4.22Å; I404-M575 CarbonylContact C-O 3.58Å; I404-M575 WeakPolarHBondContact CA-O 3.26Å; I404-M575 HydrophobicContact CG1-CB 4.5Å; I404-M580 HydrophobicContact CD1-CE 4.39Å; I404-M580 HydrophobicContact CG2-CE 4.3Å; I404-M580 HydrophobicContact CG2-SD 3.89Å; I404-A588 HydrophobicContact CD1-CB 4.02Å; I404-L592 HydrophobicContact CD1-CD2 4.45Å; I404-L592 HydrophobicContact CG1-CD2 3.73Å; I404-P595 HydrophobicContact CD1-CB 4.33Å; I404-P595 HydrophobicContact CD1-CG 3.81Å; I404-P595 HydrophobicContact CG1-CB 4.04Å; I404-P595 HydrophobicContact CG1-CG 4.1Å; I404-A596 PolarHBondContact N-O 2.94Å; I404-M597 HydrophobicContact CB-CG 4.25Å; I404-M597 HydrophobicContact CD1-CG 4.47Å; I404-M597 CarbonylContact O-C 3.58Å; I404-M597 WeakPolarHBondContact O-CA 3.44Å; I404-V598 PolarHBondContact O-N 2.82Å
405	G	94.1	Very high	88.4	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	105.2	176.7	0	0	0	0	0	111.8	A407 M575 F576 T577 V598	G405-A407 PolarHBondContact O-N 2.79Å; G405-M575 PolarHBondContact N-O 2.92Å; G405-F576 WeakPolarHBondContact O-CA 3.25Å; G405-F576 WeakPolarHBondContact O-CD1 3.37Å; G405-T577 PolarHBondContact O-N 3.32Å; G405-T577 VanDerWaalsContact O-N 3.12Å; G405-V598 CarbonylContact C-O 3.58Å; G405-V598 WeakPolarHBondContact CA-O 3.32Å
406	V	90.7	Very high	88.5	Confident	5 Å²	5	15.9 Å²	15.9	3%	0.03	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	97.1	173.8	-175.4	0	0	0	0	108.9	I404 T577 M580 V598 Y599 I600 A603	I404-V406 HydrophobicContact CG2-CG2 4.22Å; V406-T577 VanDerWaalsContact CA-O 3.32Å; V406-T577 WeakPolarHBondContact CA-O 3.3Å; V406-T577 HydrophobicContact CG2-CG2 4.12Å; V406-M580 HydrophobicContact CG2-CG 4.05Å; V406-M580 HydrophobicContact CG2-SD 4.31Å; V406-V598 PolarHBondContact N-O 3.07Å; V406-Y599 HydrophobicContact CB-CD1 3.55Å; V406-Y599 HydrophobicContact CB-CE1 4.03Å; V406-Y599 HydrophobicContact CB-CG 4.23Å; V406-Y599 HydrophobicContact CG1-CD1 3.89Å; V406-Y599 HydrophobicContact CG1-CE1 4.34Å; V406-Y599 HydrophobicContact CG2-CD1 3.71Å; V406-Y599 HydrophobicContact CG2-CE1 3.64Å; V406-I600 PolarHBondContact O-N 2.85Å; V406-A603 HydrophobicContact CG1-CB 4.24Å
407	A	85.1	Confident	88.6	Confident	4 Å²	4	15.9 Å²	15.9	3%	0.033	11%	0.106	C	C	.	.			trans	-155.9	143.9	-176.3	0	0	0	0	0	112.3	I389 G405 S411 K413 T577 I600	I389-A407 HydrophobicContact CB-CB 4.48Å; I389-A407 HydrophobicContact CD1-CB 4.28Å; I389-A407 HydrophobicContact CG1-CB 4.33Å; G405-A407 PolarHBondContact O-N 2.79Å; A407-S411 WeakPolarHBondContact CB-OG 3.21Å; A407-K413 HydrophobicContact CB-CD 4.48Å; A407-K413 HydrophobicContact CB-CG 4.47Å; A407-T577 PolarHBondContact N-O 3.23Å; A407-T577 VanDerWaalsContact N-O 3.1Å; A407-I600 HydrophobicContact CB-CB 4.09Å; A407-I600 HydrophobicContact CB-CG1 4.04Å
408	E	71.8	Confident	88.6	Confident	76 Å²	76	15.9 Å²	15.9	36%	0.355	11%	0.106	S	C	.	.			trans	-66.9	160.8	180	-61.9	-179.3	175.6	0	0	113	S411 P606	E408-S411 VanDerWaalsContact O-CB 3.26Å; E408-S411 WeakPolarHBondContact O-CB 3.48Å; E408-S411 PolarHBondContact O-N 2.67Å; E408-S411 PolarHBondContact O-OG 3.03Å; E408-P606 WeakPolarHBondContact OE1-CD 3.34Å; E408-P606 WeakPolarHBondContact OE1-CG 3.45Å
409	T	68.9	Low	88.8	Confident	31 Å²	31	14.6 Å²	14.6	19%	0.19	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	141.4	170.2	49	0	0	0	0	111.8	S411 E522 R728	T409-S411 VanDerWaalsContact C-N 3.27Å; T409-E522 WeakPolarHBondContact CG2-OE1 3.34Å; T409-R728 PolarHBondContact OG1-NH1 3.06Å; T409-R728 PolarHBondContact OG1-NH2 3.07Å
410	G	71	Confident	88.9	Confident	65 Å²	65	13.5 Å²	13.5	67%	0.67	9%	0.094	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.1	-6.1	-176.7	0	0	0	0	0	114.3	G412	G410-G412 PolarHBondContact O-N 3.38Å; G410-G412 VanDerWaalsContact O-N 3.13Å
411	S	78	Confident	89	Confident	27 Å²	27	13.4 Å²	13.4	19%	0.189	9%	0.093	C	C	.	.	S	Bend	trans	-69.7	-1	173.6	61.5	0	0	0	0	114.6	T387 I389 A407 E408 T409 K413	T387-S411 WeakPolarHBondContact CB-O 3.44Å; T387-S411 PolarHBondContact OG1-O 2.94Å; I389-S411 WeakPolarHBondContact CG2-O 3.39Å; A407-S411 WeakPolarHBondContact CB-OG 3.21Å; E408-S411 VanDerWaalsContact O-CB 3.26Å; E408-S411 WeakPolarHBondContact O-CB 3.48Å; E408-S411 PolarHBondContact O-N 2.67Å; E408-S411 PolarHBondContact O-OG 3.03Å; T409-S411 VanDerWaalsContact C-N 3.27Å; S411-K413 WeakPolarHBondContact OG-CG 3.39Å
412	G	85.5	Confident	89	Confident	16 Å²	16	13.4 Å²	13.4	17%	0.165	9%	0.093	C	C	.	.	S	Bend	trans	89	18	179.6	0	0	0	0	0	115.3	Q390 G410 T414 A415 A416	Q390-G412 PolarHBondContact NE2-O 3.06Å; G410-G412 PolarHBondContact O-N 3.38Å; G410-G412 VanDerWaalsContact O-N 3.13Å; G412-T414 VanDerWaalsContact C-N 3.27Å; G412-T414 PolarHBondContact O-N 2.81Å; G412-A415 PolarHBondContact O-N 3.14Å; G412-A416 PolarHBondContact O-N 3.04Å
413	K	90.6	Very high	88.9	Confident	9 Å²	9	13.3 Å²	13.3	4%	0.039	9%	0.093	C	C	.	.	H	α-helix	trans	-47.1	-44.5	179.2	-60.6	-172.4	-77.4	166	0	113.8	A407 S411 A415 A416 F417 D521 F576	A407-K413 HydrophobicContact CB-CD 4.48Å; A407-K413 HydrophobicContact CB-CG 4.47Å; S411-K413 WeakPolarHBondContact OG-CG 3.39Å; K413-A415 PolarHBondContact O-N 2.88Å; K413-A416 WeakPolarHBondContact O-CA 3.26Å; K413-A416 WeakPolarHBondContact O-CB 3.32Å; K413-A416 PolarHBondContact O-N 2.97Å; K413-F417 WeakPolarHBondContact O-CD1 3.45Å; K413-F417 PolarHBondContact O-N 3Å; K413-D521 WeakPolarHBondContact CE-OD1 3.44Å; K413-D521 IonicContact NZ-OD1 2.7Å; K413-D521 PolarHBondContact NZ-OD1 2.83Å; K413-D521 IonicContact NZ-OD2 3.06Å; K413-F576 HydrophobicContact CB-CD1 4.15Å; K413-F576 HydrophobicContact CB-CE1 4.27Å; K413-F576 HydrophobicContact CB-CG 4.32Å; K413-F576 HydrophobicContact CD-CB 3.76Å; K413-F576 HydrophobicContact CD-CD1 3.61Å; K413-F576 HydrophobicContact CD-CE1 4.43Å; K413-F576 HydrophobicContact CD-CG 3.8Å; K413-F576 HydrophobicContact CG-CD1 3.85Å; K413-F576 HydrophobicContact CG-CE1 4.19Å; K413-F576 HydrophobicContact CG-CG 4.32Å
414	T	92.9	Very high	88.6	Confident	30 Å²	30	13.3 Å²	13.3	18%	0.184	9%	0.093	C	C	.	.	H	α-helix	trans	-53.2	-56	-175.8	-41.5	0	0	0	0	112.7	G412 A416 F417 L418 I456 E459	G412-T414 VanDerWaalsContact C-N 3.27Å; G412-T414 PolarHBondContact O-N 2.81Å; T414-A416 PolarHBondContact O-N 2.91Å; T414-F417 VanDerWaalsContact CA-CE1 3.47Å; T414-F417 HydrophobicContact CG2-CZ 4.03Å; T414-F417 PolarHBondContact O-N 3.05Å; T414-L418 HydrophobicContact CG2-CD1 3.88Å; T414-L418 WeakPolarHBondContact O-CB 3.47Å; T414-L418 VanDerWaalsContact O-CG 3.26Å; T414-L418 WeakPolarHBondContact O-CG 3.38Å; T414-L418 PolarHBondContact O-N 3.48Å; T414-I456 HydrophobicContact CG2-CB 4.44Å; T414-I456 HydrophobicContact CG2-CG1 4.26Å; T414-I456 HydrophobicContact CG2-CG2 4.19Å; T414-E459 HydrophobicContact CG2-CB 3.96Å; T414-E459 HydrophobicContact CG2-CG 4.14Å
415	A	93.4	Very high	88.2	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-66.6	-24.6	177	0	0	0	0	0	113.1	Y383 G412 K413 F417 I419 F463	Y383-A415 HydrophobicContact CE1-CB 4.47Å; G412-A415 PolarHBondContact O-N 3.14Å; K413-A415 PolarHBondContact O-N 2.88Å; A415-F417 PolarHBondContact O-N 3.06Å; A415-I419 HydrophobicContact CB-CD1 4.23Å; A415-I419 WeakPolarHBondContact O-CB 3.45Å; A415-I419 WeakPolarHBondContact O-CD1 3.26Å; A415-I419 VanDerWaalsContact O-CG1 3.26Å; A415-I419 WeakPolarHBondContact O-CG1 3.39Å; A415-I419 PolarHBondContact O-N 3Å; A415-F463 HydrophobicContact CB-CE2 4.24Å; A415-F463 HydrophobicContact CB-CZ 4.23Å
416	A	95.2	Very high	87.8	Confident	3 Å²	3	14.9 Å²	14.9	3%	0.025	10%	0.1	C	C	.	.	H	α-helix	trans	-66.4	-34.4	179.9	0	0	0	0	0	113.2	I389 Q390 A393 I394 G412 K413 T414 P420 F576	I389-A416 HydrophobicContact CG2-CB 4.34Å; Q390-A416 HydrophobicContact CB-CB 4.36Å; Q390-A416 HydrophobicContact CG-CB 3.76Å; A393-A416 HydrophobicContact CB-CB 4.33Å; I394-A416 WeakPolarHBondContact CG1-O 3.22Å; G412-A416 PolarHBondContact O-N 3.04Å; K413-A416 WeakPolarHBondContact O-CA 3.26Å; K413-A416 WeakPolarHBondContact O-CB 3.32Å; K413-A416 PolarHBondContact O-N 2.97Å; T414-A416 PolarHBondContact O-N 2.91Å; A416-P420 VanDerWaalsContact O-CD 3.25Å; A416-P420 WeakPolarHBondContact O-CD 3.44Å; A416-F576 HydrophobicContact CB-CZ 4.43Å
417	F	95.5	Very high	87.6	Confident	1 Å²	1	20 Å²	20	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-91.8	-31.5	172.6	62.1	-105.4	0	0	0	113.4	K413 T414 A415 P420 L421 I445 I456 Y517 V519 V574 F576	K413-F417 WeakPolarHBondContact O-CD1 3.45Å; K413-F417 PolarHBondContact O-N 3Å; T414-F417 VanDerWaalsContact CA-CE1 3.47Å; T414-F417 HydrophobicContact CG2-CZ 4.03Å; T414-F417 PolarHBondContact O-N 3.05Å; A415-F417 PolarHBondContact O-N 3.06Å; F417-P420 WeakPolarHBondContact O-CD 3.26Å; F417-L421 PolarHBondContact O-N 3.19Å; F417-I445 HydrophobicContact CD2-CD1 4.42Å; F417-I445 HydrophobicContact CE2-CD1 3.7Å; F417-I445 HydrophobicContact CE2-CG1 3.92Å; F417-I445 HydrophobicContact CE2-CG2 4.09Å; F417-I445 HydrophobicContact CZ-CG2 4Å; F417-I456 HydrophobicContact CE2-CG2 4.47Å; F417-I456 HydrophobicContact CZ-CG2 4.17Å; F417-Y517 HydrophobicContact CB-CE1 4.33Å; F417-Y517 PolarHBondContact O-OH 3.18Å; F417-Y517 VanDerWaalsContact O-OH 3.07Å; F417-V519 HydrophobicContact CB-CG2 4.2Å; F417-V519 HydrophobicContact CD1-CG1 3.9Å; F417-V519 HydrophobicContact CD2-CG1 4.2Å; F417-V519 HydrophobicContact CD2-CG2 3.8Å; F417-V519 HydrophobicContact CE1-CG1 3.89Å; F417-V519 HydrophobicContact CE2-CG1 4.26Å; F417-V519 HydrophobicContact CE2-CG2 4.31Å; F417-V519 HydrophobicContact CG-CG1 4.02Å; F417-V519 HydrophobicContact CG-CG2 4.04Å; F417-V519 HydrophobicContact CZ-CG1 4.09Å; F417-V574 HydrophobicContact CB-CG1 4.37Å; F417-F576 HydrophobicContact CB-CE2 4.06Å; F417-F576 AromaticContact CD1-CD2 3.97Å; F417-F576 HydrophobicContact CD1-CD2 3.97Å; F417-F576 AromaticContact CD1-CE2 3.47Å; F417-F576 HydrophobicContact CD1-CE2 3.47Å; F417-F576 VanDerWaalsContact CD1-CE2 3.47Å; F417-F576 HydrophobicContact CD1-CZ 4.34Å; F417-F576 HydrophobicContact CE1-CD2 4.44Å; F417-F576 HydrophobicContact CE1-CE2 4.34Å; F417-F576 HydrophobicContact CG-CE2 4.21Å
418	L	95.2	Very high	87.6	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-65.7	-42	177.9	-71.4	177.2	0	0	0	112.5	T414 L421 L422 I445 T460 F463	T414-L418 HydrophobicContact CG2-CD1 3.88Å; T414-L418 WeakPolarHBondContact O-CB 3.47Å; T414-L418 VanDerWaalsContact O-CG 3.26Å; T414-L418 WeakPolarHBondContact O-CG 3.38Å; T414-L418 PolarHBondContact O-N 3.48Å; L418-L421 HydrophobicContact CD2-CD2 4.47Å; L418-L421 WeakPolarHBondContact O-CB 3.43Å; L418-L421 PolarHBondContact O-N 3.26Å; L418-L421 VanDerWaalsContact O-N 3.15Å; L418-L422 HydrophobicContact CB-CD1 4.12Å; L418-L422 WeakPolarHBondContact O-CB 3.26Å; L418-L422 WeakPolarHBondContact O-CG 3.47Å; L418-L422 PolarHBondContact O-N 3.36Å; L418-I445 HydrophobicContact CD2-CD1 4.05Å; L418-T460 HydrophobicContact CD1-CG2 4.48Å; L418-T460 HydrophobicContact CD2-CG2 3.87Å; L418-F463 HydrophobicContact CD1-CD2 4.44Å
419	I	94.1	Very high	88	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.1	-48	-174.4	-73.4	167.5	0	0	0	112.8	W365 M368 L374 I378 I394 A415 L421 N423	W365-I419 HydrophobicContact CH2-CD1 3.67Å; W365-I419 HydrophobicContact CZ3-CD1 3.64Å; M368-I419 HydrophobicContact CE-CG2 3.9Å; M368-I419 HydrophobicContact SD-CG2 3.74Å; L374-I419 HydrophobicContact CD2-CG2 4.19Å; I378-I419 HydrophobicContact CD1-CD1 3.77Å; I378-I419 HydrophobicContact CD1-CG1 4.17Å; I378-I419 HydrophobicContact CG1-CD1 4.14Å; I394-I419 HydrophobicContact CD1-CB 4.12Å; I394-I419 HydrophobicContact CD1-CD1 3.73Å; I394-I419 HydrophobicContact CD1-CG2 4.19Å; I394-I419 HydrophobicContact CG1-CB 4.41Å; I394-I419 HydrophobicContact CG2-CG2 3.84Å; A415-I419 HydrophobicContact CB-CD1 4.23Å; A415-I419 WeakPolarHBondContact O-CB 3.45Å; A415-I419 WeakPolarHBondContact O-CD1 3.26Å; A415-I419 VanDerWaalsContact O-CG1 3.26Å; A415-I419 WeakPolarHBondContact O-CG1 3.39Å; A415-I419 PolarHBondContact O-N 3Å; I419-L421 PolarHBondContact O-N 2.65Å; I419-N423 WeakPolarHBondContact O-CB 3.18Å; I419-N423 PolarHBondContact O-N 3.13Å
420	P	93.1	Very high	88.4	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.6	-41.2	172.5	-25.9	34.8	0	0	0	113.8	I394 L398 A416 F417 W424	I394-P420 HydrophobicContact CG2-CG 4.23Å; L398-P420 HydrophobicContact CD2-CB 4.43Å; A416-P420 VanDerWaalsContact O-CD 3.25Å; A416-P420 WeakPolarHBondContact O-CD 3.44Å; F417-P420 WeakPolarHBondContact O-CD 3.26Å; P420-W424 PolarHBondContact O-N 2.89Å; P420-W424 VanDerWaalsContact O-N 3.08Å
421	L	93.6	Very high	88.6	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.2	-48.7	178.6	171.5	60.4	0	0	0	111.9	F417 L418 I419 W424 I425 A443 I493 Y517	F417-L421 PolarHBondContact O-N 3.19Å; L418-L421 HydrophobicContact CD2-CD2 4.47Å; L418-L421 WeakPolarHBondContact O-CB 3.43Å; L418-L421 PolarHBondContact O-N 3.26Å; L418-L421 VanDerWaalsContact O-N 3.15Å; I419-L421 PolarHBondContact O-N 2.65Å; L421-W424 HydrophobicContact CD1-CE3 4.4Å; L421-W424 WeakPolarHBondContact O-CB 3.48Å; L421-W424 PolarHBondContact O-N 3.48Å; L421-W424 VanDerWaalsContact O-N 3.15Å; L421-I425 HydrophobicContact CD1-CD1 3.74Å; L421-I425 HydrophobicContact CD1-CG1 4.1Å; L421-I425 HydrophobicContact CG-CD1 3.98Å; L421-I425 WeakPolarHBondContact O-CG1 3.25Å; L421-I425 PolarHBondContact O-N 3.49Å; L421-A443 HydrophobicContact CD1-CB 3.74Å; L421-A443 HydrophobicContact CD2-CB 3.5Å; L421-A443 VanDerWaalsContact CD2-CB 3.5Å; L421-A443 HydrophobicContact CG-CB 4.27Å; L421-I493 HydrophobicContact CD2-CD1 3.83Å; L421-I493 HydrophobicContact CD2-CG1 4.19Å; L421-I493 HydrophobicContact CG-CD1 4.45Å; L421-Y517 HydrophobicContact CB-CD1 4.29Å; L421-Y517 HydrophobicContact CB-CD2 4.41Å; L421-Y517 HydrophobicContact CB-CE1 4.17Å; L421-Y517 HydrophobicContact CB-CE2 4.28Å; L421-Y517 HydrophobicContact CB-CG 4.42Å; L421-Y517 HydrophobicContact CD1-CD1 4.25Å; L421-Y517 HydrophobicContact CD1-CD2 4.23Å; L421-Y517 HydrophobicContact CD1-CG 3.88Å; L421-Y517 HydrophobicContact CD2-CD1 4.13Å; L421-Y517 HydrophobicContact CD2-CE1 4.5Å; L421-Y517 HydrophobicContact CG-CD1 4.46Å
422	L	93.1	Very high	88.5	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.8	-42	-179.1	-64.3	166.6	0	0	0	111.4	L374 L418 W424 I425 Q426 F463 L467 I469 I493	L374-L422 HydrophobicContact CD1-CB 4.15Å; L374-L422 HydrophobicContact CD1-CD1 4.28Å; L418-L422 HydrophobicContact CB-CD1 4.12Å; L418-L422 WeakPolarHBondContact O-CB 3.26Å; L418-L422 WeakPolarHBondContact O-CG 3.47Å; L418-L422 PolarHBondContact O-N 3.36Å; L422-W424 PolarHBondContact O-N 2.96Å; L422-I425 PolarHBondContact O-N 3.08Å; L422-Q426 WeakPolarHBondContact O-CB 3.46Å; L422-Q426 WeakPolarHBondContact O-CG 3.28Å; L422-Q426 PolarHBondContact O-N 3.4Å; L422-F463 HydrophobicContact CD1-CB 3.65Å; L422-F463 HydrophobicContact CD1-CD1 4.42Å; L422-F463 HydrophobicContact CD1-CG 4.26Å; L422-L467 HydrophobicContact CB-CD1 4.17Å; L422-L467 HydrophobicContact CD1-CD1 4.37Å; L422-L467 HydrophobicContact CD2-CD1 4.19Å; L422-L467 HydrophobicContact CG-CD1 4.48Å; L422-I469 HydrophobicContact CD2-CD1 3.54Å; L422-I493 HydrophobicContact CD2-CD1 4.28Å
423	N	91.6	Very high	88	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-61.4	-32.5	172.9	167.3	80.7	0	0	0	112.2	V370 L374 L398 I419 R427	V370-N423 HydrophobicContact CB-CB 4.4Å; V370-N423 HydrophobicContact CG1-CB 3.92Å; L374-N423 HydrophobicContact CD2-CB 3.76Å; L398-N423 HydrophobicContact CD2-CB 4.22Å; L398-N423 VanDerWaalsContact CD2-ND2 3.29Å; L398-N423 WeakPolarHBondContact CD2-ND2 3.38Å; I419-N423 WeakPolarHBondContact O-CB 3.18Å; I419-N423 PolarHBondContact O-N 3.13Å; N423-R427 PolarHBondContact ND2-NE 3.29Å; N423-R427 PolarHBondContact ND2-NH2 3.07Å; N423-R427 WeakPolarHBondContact O-CD 3.4Å; N423-R427 VanDerWaalsContact O-CG 3.29Å; N423-R427 WeakPolarHBondContact O-CG 3.27Å; N423-R427 PolarHBondContact OD1-NE 3.39Å; N423-R427 VanDerWaalsContact OD1-NE 3.16Å; N423-R427 PolarHBondContact OD1-NH2 3.32Å
424	W	90.2	Very high	87.3	Confident	3 Å²	3	37 Å²	37	1%	0.011	18%	0.179	C	C	.	.	H	α-helix	trans	-73	-49.4	174.5	178.4	72.2	0	0	0	112.1	P420 L421 L422 Q426 R427 L428 Y442 T516 F564 K569	P420-W424 PolarHBondContact O-N 2.89Å; P420-W424 VanDerWaalsContact O-N 3.08Å; L421-W424 HydrophobicContact CD1-CE3 4.4Å; L421-W424 WeakPolarHBondContact O-CB 3.48Å; L421-W424 PolarHBondContact O-N 3.48Å; L421-W424 VanDerWaalsContact O-N 3.15Å; L422-W424 PolarHBondContact O-N 2.96Å; W424-Q426 VanDerWaalsContact C-N 3.27Å; W424-Q426 PolarHBondContact O-N 3.3Å; W424-R427 PolarHBondContact O-N 3.11Å; W424-L428 HydrophobicContact CE3-CD1 4.49Å; W424-L428 HydrophobicContact CH2-CD1 3.81Å; W424-L428 HydrophobicContact CZ2-CD1 3.89Å; W424-L428 HydrophobicContact CZ2-CD2 4.05Å; W424-L428 HydrophobicContact CZ2-CG 4.35Å; W424-L428 HydrophobicContact CZ3-CD1 4.13Å; W424-L428 PolarHBondContact O-N 3.26Å; W424-Y442 AromaticContact CH2-CD1 3.78Å; W424-Y442 HydrophobicContact CH2-CD1 3.78Å; W424-Y442 HydrophobicContact CH2-CE1 4.29Å; W424-Y442 HydrophobicContact CH2-CG 4.36Å; W424-Y442 AromaticContact CZ3-CD1 3.9Å; W424-Y442 HydrophobicContact CZ3-CD1 3.9Å; W424-Y442 HydrophobicContact CZ3-CG 4.01Å; W424-T516 WeakPolarHBondContact CH2-OG1 3.49Å; W424-T516 WeakPolarHBondContact CZ3-OG1 3.44Å; W424-F564 HydrophobicContact CB-CE2 4.45Å; W424-F564 HydrophobicContact CB-CZ 4.05Å; W424-F564 HydrophobicContact CG-CE2 4.38Å; W424-F564 HydrophobicContact CG-CZ 4.37Å; W424-F564 PolarHBondContact NE1-O 3.04Å; W424-K569 HydrophobicContact CD2-CD 4.21Å; W424-K569 VanDerWaalsContact CE3-NZ 3.34Å; W424-K569 HydrophobicContact CG-CD 4.48Å; W424-K569 HydrophobicContact CZ2-CD 3.89Å; W424-K569 VanDerWaalsContact CZ2-CE 3.46Å; W424-K569 HydrophobicContact CZ2-CG 4.06Å
425	I	89	Confident	86.4	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59	-37.8	179.1	-65.1	169.8	0	0	0	111.6	L421 L422 R427 L428 Y442 I469 E492 I493	L421-I425 HydrophobicContact CD1-CD1 3.74Å; L421-I425 HydrophobicContact CD1-CG1 4.1Å; L421-I425 HydrophobicContact CG-CD1 3.98Å; L421-I425 WeakPolarHBondContact O-CG1 3.25Å; L421-I425 PolarHBondContact O-N 3.49Å; L422-I425 PolarHBondContact O-N 3.08Å; I425-R427 VanDerWaalsContact C-N 3.29Å; I425-R427 PolarHBondContact O-N 3.47Å; I425-L428 PolarHBondContact O-N 2.89Å; I425-Y442 HydrophobicContact CG1-CD2 4.42Å; I425-I469 HydrophobicContact CB-CD1 4.01Å; I425-I469 HydrophobicContact CD1-CD1 4.41Å; I425-I469 HydrophobicContact CD1-CG2 4.38Å; I425-I469 HydrophobicContact CG2-CD1 3.69Å; I425-I469 HydrophobicContact CG2-CG1 3.94Å; I425-E492 HydrophobicContact CD1-CB 4.43Å; I425-I493 HydrophobicContact CD1-CD1 4.28Å; I425-I493 HydrophobicContact CD1-CG1 4.17Å
426	Q	86.3	Confident	85.6	Confident	41 Å²	41	42.5 Å²	42.5	19%	0.192	20%	0.203	C	C	.	.	H	α-helix	trans	-63.7	-29.7	176	-77.7	178.7	12	0	0	113.9	L422 W424 L428	L422-Q426 WeakPolarHBondContact O-CB 3.46Å; L422-Q426 WeakPolarHBondContact O-CG 3.28Å; L422-Q426 PolarHBondContact O-N 3.4Å; W424-Q426 VanDerWaalsContact C-N 3.27Å; W424-Q426 PolarHBondContact O-N 3.3Å; Q426-L428 VanDerWaalsContact C-N 3.34Å
427	R	85.5	Confident	84.7	Confident	114 Å²	114	44.9 Å²	44.9	43%	0.43	22%	0.217	S	C	.	.	H	α-helix	trans	-79.5	-17.3	-179.2	-71.6	173.3	-170	-148.4	2	112.8	N369 N423 W424 I425	N369-R427 PolarHBondContact O-NH2 3.46Å; N423-R427 PolarHBondContact ND2-NE 3.29Å; N423-R427 PolarHBondContact ND2-NH2 3.07Å; N423-R427 WeakPolarHBondContact O-CD 3.4Å; N423-R427 VanDerWaalsContact O-CG 3.29Å; N423-R427 WeakPolarHBondContact O-CG 3.27Å; N423-R427 PolarHBondContact OD1-NE 3.39Å; N423-R427 VanDerWaalsContact OD1-NE 3.16Å; N423-R427 PolarHBondContact OD1-NH2 3.32Å; W424-R427 PolarHBondContact O-N 3.11Å; I425-R427 VanDerWaalsContact C-N 3.29Å; I425-R427 PolarHBondContact O-N 3.47Å
428	L	84.2	Confident	83.9	Confident	6 Å²	6	53.5 Å²	53.5	3%	0.031	26%	0.257	C	S	.	.	S	Bend	trans	-71.7	136.3	175.8	-62.8	177.2	0	0	0	110.9	W424 I425 Q426 K430 R433 Y442	W424-L428 HydrophobicContact CE3-CD1 4.49Å; W424-L428 HydrophobicContact CH2-CD1 3.81Å; W424-L428 HydrophobicContact CZ2-CD1 3.89Å; W424-L428 HydrophobicContact CZ2-CD2 4.05Å; W424-L428 HydrophobicContact CZ2-CG 4.35Å; W424-L428 HydrophobicContact CZ3-CD1 4.13Å; W424-L428 PolarHBondContact O-N 3.26Å; I425-L428 PolarHBondContact O-N 2.89Å; Q426-L428 VanDerWaalsContact C-N 3.34Å; L428-K430 PolarHBondContact O-N 3.26Å; L428-R433 HydrophobicContact CB-CG 4.15Å; L428-Y442 HydrophobicContact CD1-CD1 4.49Å; L428-Y442 HydrophobicContact CD1-CE1 3.96Å; L428-Y442 HydrophobicContact CD1-CE2 4.27Å
429	P	80.8	Confident	83.5	Confident	67 Å²	67	56.6 Å²	56.6	44%	0.435	27%	0.272	S	S	.	.			trans	-51.6	136.3	172.2	-27.2	35.3	0	0	0	112.3	L431 E432 R433	P429-L431 PolarHBondContact O-N 3.2Å; P429-L431 VanDerWaalsContact O-N 3.11Å; P429-E432 HydrophobicContact CB-CG 4.19Å; P429-E432 HydrophobicContact CG-CG 4.39Å; P429-E432 PolarHBondContact O-N 3.23Å; P429-R433 PolarHBondContact O-N 2.96Å
430	K	77.2	Confident	83.2	Confident	164 Å²	164	57.2 Å²	57.2	71%	0.713	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.9	-179.6	-64.4	-175.5	-178.1	179.3	0	113.3	L428 L434	L428-K430 PolarHBondContact O-N 3.26Å; K430-L434 WeakPolarHBondContact O-CG 3.43Å; K430-L434 PolarHBondContact O-N 3.14Å
431	L	75.7	Confident	83.1	Confident	115 Å²	115	57.3 Å²	57.3	60%	0.602	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-51.4	177.2	-163.2	79	0	0	0	111.3	P429 R433 L434 E435	P429-L431 PolarHBondContact O-N 3.2Å; P429-L431 VanDerWaalsContact O-N 3.11Å; L431-R433 VanDerWaalsContact C-N 3.27Å; L431-R433 PolarHBondContact O-N 3.01Å; L431-L434 PolarHBondContact O-N 3.28Å; L431-E435 PolarHBondContact O-N 2.9Å
432	E	75.7	Confident	83.1	Confident	67 Å²	67	57.5 Å²	57.5	31%	0.313	28%	0.279	S	S	.	.	H	α-helix	trans	-54.9	-44	177	-64.4	177.4	-169.8	0	0	111	P429 L434 E435 D436	P429-E432 HydrophobicContact CB-CG 4.19Å; P429-E432 HydrophobicContact CG-CG 4.39Å; P429-E432 PolarHBondContact O-N 3.23Å; E432-L434 PolarHBondContact O-N 2.99Å; E432-E435 PolarHBondContact O-N 3.45Å; E432-D436 WeakPolarHBondContact O-CB 3.11Å; E432-D436 VanDerWaalsContact O-CG 3.29Å; E432-D436 PolarHBondContact O-N 3.48Å
433	R	76.2	Confident	83.2	Confident	40 Å²	40	57.5 Å²	57.5	15%	0.151	28%	0.279	C	S	.	.	H	α-helix	trans	-61.6	-23.9	177.6	-64	-156.4	-69.7	126.8	-15.2	114.7	L428 P429 L431 Y442 E492	L428-R433 HydrophobicContact CB-CG 4.15Å; P429-R433 PolarHBondContact O-N 2.96Å; L431-R433 VanDerWaalsContact C-N 3.27Å; L431-R433 PolarHBondContact O-N 3.01Å; R433-Y442 HydrophobicContact CG-CE2 4.13Å; R433-E492 IonicContact NH1-OE1 2.84Å; R433-E492 PolarHBondContact NH1-OE1 3.38Å
434	L	74	Confident	83.4	Confident	125 Å²	125	57.5 Å²	57.5	65%	0.654	28%	0.28	S	S	*	.	H	α-helix	trans	-88.4	-45.7	177.4	-70.3	168.2	0	0	0	111.1	K430 L431 E432 D436 T437	K430-L434 WeakPolarHBondContact O-CG 3.43Å; K430-L434 PolarHBondContact O-N 3.14Å; L431-L434 PolarHBondContact O-N 3.28Å; E432-L434 PolarHBondContact O-N 2.99Å; L434-D436 VanDerWaalsContact C-N 3.35Å; L434-D436 PolarHBondContact O-N 2.85Å; L434-T437 WeakPolarHBondContact O-CB 3.29Å; L434-T437 PolarHBondContact O-N 3.31Å; L434-T437 PolarHBondContact O-OG1 3.46Å
435	E	75.5	Confident	83.7	Confident	134 Å²	134	57.4 Å²	57.4	63%	0.626	28%	0.279	S	S	*	.	H	α-helix	trans	-64.5	-38.4	-179.6	-68.1	179.2	176.3	0	0	112.2	L431 E432 T437	L431-E435 PolarHBondContact O-N 2.9Å; E432-E435 PolarHBondContact O-N 3.45Å; E435-T437 PolarHBondContact O-N 3.27Å
436	D	76.5	Confident	84.1	Confident	12 Å²	12	57.4 Å²	57.4	6%	0.064	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-82.1	5.6	-176.1	-62.9	-39.4	0	0	0	114.5	E432 L434 E438 Q439 Q514 K567	E432-D436 WeakPolarHBondContact O-CB 3.11Å; E432-D436 VanDerWaalsContact O-CG 3.29Å; E432-D436 PolarHBondContact O-N 3.48Å; L434-D436 VanDerWaalsContact C-N 3.35Å; L434-D436 PolarHBondContact O-N 2.85Å; D436-E438 PolarHBondContact O-N 2.93Å; D436-Q439 WeakPolarHBondContact O-CB 3.32Å; D436-Q439 PolarHBondContact O-N 2.96Å; D436-Q439 VanDerWaalsContact OD1-CD 3.24Å; D436-Q439 PolarHBondContact OD1-NE2 3.33Å; D436-Q439 PolarHBondContact OD1-OE1 3.03Å; D436-Q514 PolarHBondContact O-NE2 2.84Å; D436-K567 IonicContact OD1-NZ 3.05Å; D436-K567 PolarHBondContact OD1-NZ 2.93Å; D436-K567 WeakPolarHBondContact OD2-CE 3.24Å; D436-K567 IonicContact OD2-NZ 3.88Å; D436-K567 PolarHBondContact OD2-NZ 2.86Å
437	T	76.7	Confident	84.4	Confident	52 Å²	52	55.4 Å²	55.4	32%	0.319	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-53.6	-32.2	-174	-58	0	0	0	0	113.2	L434 E435 G490	L434-T437 WeakPolarHBondContact O-CB 3.29Å; L434-T437 PolarHBondContact O-N 3.31Å; L434-T437 PolarHBondContact O-OG1 3.46Å; E435-T437 PolarHBondContact O-N 3.27Å; T437-G490 VanDerWaalsContact CG2-CA 3.4Å
438	E	78.8	Confident	84.7	Confident	183 Å²	183	50.1 Å²	50.1	86%	0.855	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-81.2	-14.3	179.3	-58.3	-172.8	168.4	0	0	114.1	D436 G440	D436-E438 PolarHBondContact O-N 2.93Å; E438-G440 PolarHBondContact O-N 3.25Å
439	Q	84.9	Confident	84.9	Confident	64 Å²	64	50.1 Å²	50.1	30%	0.299	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-79.1	2.4	-178.5	-65.8	170.5	32.8	0	0	113.4	D436 N513 Q514	D436-Q439 WeakPolarHBondContact O-CB 3.32Å; D436-Q439 PolarHBondContact O-N 2.96Å; D436-Q439 VanDerWaalsContact OD1-CD 3.24Å; D436-Q439 PolarHBondContact OD1-NE2 3.33Å; D436-Q439 PolarHBondContact OD1-OE1 3.03Å; Q439-N513 HydrophobicContact CB-CB 4.38Å; Q439-N513 PolarHBondContact O-N 3.33Å; Q439-N513 VanDerWaalsContact O-N 3.16Å; Q439-Q514 HydrophobicContact CB-CB 4.2Å; Q439-Q514 HydrophobicContact CB-CG 3.97Å; Q439-Q514 PolarHBondContact O-N 2.93Å
440	G	87.7	Confident	85.1	Confident	13 Å²	13	48.2 Å²	48.2	13%	0.134	24%	0.235	C	C	.	.			trans	96.2	-169.8	179.9	0	0	0	0	0	113.7	E438 V511 Q514	E438-G440 PolarHBondContact O-N 3.25Å; G440-V511 VanDerWaalsContact CA-O 3.22Å; G440-V511 WeakPolarHBondContact CA-O 3.18Å; G440-Q514 PolarHBondContact O-NE2 3.05Å
441	P	93	Very high	85.4	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.013	21%	0.205	C	C	.	.			trans	-76.1	150.6	177.3	32.8	-35.7	0	0	0	112.3	A443 I444 A491 V494 M510 L512 C515	P441-A443 VanDerWaalsContact C-N 3.29Å; P441-I444 HydrophobicContact CG-CG1 4.26Å; P441-A491 VanDerWaalsContact CA-O 3.26Å; P441-A491 WeakPolarHBondContact CA-O 3.37Å; P441-A491 WeakPolarHBondContact CB-O 3.22Å; P441-V494 HydrophobicContact CB-CB 4.07Å; P441-V494 HydrophobicContact CB-CG2 3.78Å; P441-V494 HydrophobicContact CG-CB 4.01Å; P441-V494 HydrophobicContact CG-CG2 3.87Å; P441-M510 HydrophobicContact CG-SD 3.96Å; P441-L512 HydrophobicContact CG-CD2 4.04Å; P441-C515 WeakPolarHBondContact O-CA 3.44Å; P441-C515 PolarHBondContact O-N 3.31Å
442	Y	92.9	Very high	85.9	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.016	18%	0.179	C	C	.	.	S	Bend	trans	-68.3	-31.8	166.6	-75.5	-53.5	0	0	0	112.2	W424 I425 L428 R433 E492 Q514 T516 Y517	W424-Y442 AromaticContact CH2-CD1 3.78Å; W424-Y442 HydrophobicContact CH2-CD1 3.78Å; W424-Y442 HydrophobicContact CH2-CE1 4.29Å; W424-Y442 HydrophobicContact CH2-CG 4.36Å; W424-Y442 AromaticContact CZ3-CD1 3.9Å; W424-Y442 HydrophobicContact CZ3-CD1 3.9Å; W424-Y442 HydrophobicContact CZ3-CG 4.01Å; I425-Y442 HydrophobicContact CG1-CD2 4.42Å; L428-Y442 HydrophobicContact CD1-CD1 4.49Å; L428-Y442 HydrophobicContact CD1-CE1 3.96Å; L428-Y442 HydrophobicContact CD1-CE2 4.27Å; R433-Y442 HydrophobicContact CG-CE2 4.13Å; Y442-E492 WeakPolarHBondContact CB-O 3.28Å; Y442-E492 HydrophobicContact CD2-CB 3.91Å; Y442-E492 HydrophobicContact CD2-CG 3.79Å; Y442-E492 HydrophobicContact CE2-CG 3.99Å; Y442-E492 PolarHBondContact N-O 3.16Å; Y442-Q514 HydrophobicContact CD1-CG 4.08Å; Y442-Q514 VanDerWaalsContact CE1-CD 3.47Å; Y442-Q514 HydrophobicContact CE1-CG 4.2Å; Y442-T516 PolarHBondContact O-N 3.31Å; Y442-Y517 PolarHBondContact O-N 3.38Å
443	A	95.2	Very high	86.7	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	140.1	-176.9	0	0	0	0	0	113.8	L421 P441 E492 I493 V494 Y517	L421-A443 HydrophobicContact CD1-CB 3.74Å; L421-A443 HydrophobicContact CD2-CB 3.5Å; L421-A443 VanDerWaalsContact CD2-CB 3.5Å; L421-A443 HydrophobicContact CG-CB 4.27Å; P441-A443 VanDerWaalsContact C-N 3.29Å; A443-E492 PolarHBondContact N-O 2.93Å; A443-I493 HydrophobicContact CB-CG1 4.46Å; A443-V494 PolarHBondContact O-N 3.17Å; A443-Y517 VanDerWaalsContact CA-O 3.23Å; A443-Y517 WeakPolarHBondContact CA-O 3.37Å; A443-Y517 HydrophobicContact CB-CD1 4.43Å
444	I	96	Very high	87.3	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	128.6	168.5	-52.3	167.6	0	0	0	109	P441 M446 V494 L501 L512 Y517 V519	P441-I444 HydrophobicContact CG-CG1 4.26Å; I444-M446 HydrophobicContact CG2-CG 4.05Å; I444-V494 CarbonylContact C-O 3.57Å; I444-V494 WeakPolarHBondContact CA-O 3.46Å; I444-L501 HydrophobicContact CG2-CD1 4.04Å; I444-L501 HydrophobicContact CG2-CD2 4.35Å; I444-L512 HydrophobicContact CD1-CD1 3.46Å; I444-L512 VanDerWaalsContact CD1-CD1 3.46Å; I444-L512 HydrophobicContact CD1-CD2 3.39Å; I444-L512 HydrophobicContact CD1-CG 4.01Å; I444-L512 HydrophobicContact CG1-CD2 4.01Å; I444-Y517 PolarHBondContact N-O 3.39Å; I444-V519 PolarHBondContact O-N 2.66Å
445	I	97	Very high	88	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	110.2	170.1	-58.2	151.9	0	0	0	108.8	F417 L418 I456 I493 V494 I495 G496 V519	F417-I445 HydrophobicContact CD2-CD1 4.42Å; F417-I445 HydrophobicContact CE2-CD1 3.7Å; F417-I445 HydrophobicContact CE2-CG1 3.92Å; F417-I445 HydrophobicContact CE2-CG2 4.09Å; F417-I445 HydrophobicContact CZ-CG2 4Å; L418-I445 HydrophobicContact CD2-CD1 4.05Å; I445-I456 HydrophobicContact CD1-CG2 4.21Å; I445-I456 HydrophobicContact CG2-CD1 4.01Å; I445-I456 HydrophobicContact CG2-CG2 3.85Å; I445-I493 HydrophobicContact CD1-CG2 3.73Å; I445-V494 PolarHBondContact N-O 3.47Å; I445-I495 HydrophobicContact CB-CG1 4.16Å; I445-I495 HydrophobicContact CB-CG2 4.48Å; I445-I495 HydrophobicContact CD1-CG1 3.93Å; I445-I495 CarbonylContact O-C 3.51Å; I445-I495 WeakPolarHBondContact O-CA 3.44Å; I445-G496 PolarHBondContact O-N 3.26Å; I445-V519 HydrophobicContact CB-CB 4.23Å; I445-V519 HydrophobicContact CG1-CB 3.97Å; I445-V519 HydrophobicContact CG1-CG2 3.95Å; I445-V519 HydrophobicContact CG2-CB 4.02Å; I445-V519 HydrophobicContact CG2-CG1 4.17Å
446	M	96.2	Very high	88.8	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	135	176.4	-70	175.6	-88.3	0	0	110.3	I444 G496 L501 I518 V519 L520 D521 M526 V535 I538 Y591	I444-M446 HydrophobicContact CG2-CG 4.05Å; M446-G496 WeakPolarHBondContact CA-O 3.41Å; M446-L501 HydrophobicContact CG-CD1 3.6Å; M446-I518 HydrophobicContact CE-CG2 3.6Å; M446-V519 PolarHBondContact N-O 2.95Å; M446-L520 HydrophobicContact CB-CD2 4.11Å; M446-L520 HydrophobicContact CE-CD2 3.43Å; M446-L520 VanDerWaalsContact CE-CD2 3.43Å; M446-L520 HydrophobicContact CE-CG 4.05Å; M446-L520 HydrophobicContact SD-CD2 3.8Å; M446-D521 PolarHBondContact O-N 3.41Å; M446-M526 HydrophobicContact CB-CE 3.64Å; M446-M526 WeakPolarHBondContact O-CE 3.27Å; M446-V535 HydrophobicContact SD-CG1 4.4Å; M446-I538 HydrophobicContact CE-CG2 4.5Å; M446-I538 HydrophobicContact SD-CD1 3.88Å; M446-I538 HydrophobicContact SD-CG2 4.2Å; M446-Y591 HydrophobicContact CE-CE1 4.26Å
447	A	93.8	Very high	89.6	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.124	C	C	.	.			trans	-134	140	174.2	0	0	0	0	0	110.2	T449 L452 A453 I456 G496 T497 P498	A447-T449 VanDerWaalsContact C-N 3.28Å; A447-T449 PolarHBondContact O-N 3.29Å; A447-L452 HydrophobicContact CB-CB 4.24Å; A447-L452 HydrophobicContact CB-CD2 3.92Å; A447-L452 HydrophobicContact CB-CG 4.15Å; A447-A453 HydrophobicContact CB-CB 4.08Å; A447-I456 HydrophobicContact CB-CD1 4.14Å; A447-G496 PolarHBondContact N-O 3.44Å; A447-T497 WeakPolarHBondContact O-CA 3.19Å; A447-P498 WeakPolarHBondContact O-CD 3.48Å
448	P	91	Very high	90.4	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.013	14%	0.135	C	C	.	.	S	Bend	trans	-66.8	-25.6	-176.8	26.1	-37.6	0	0	0	114.2	D521 E522 K525 M526 M529 F531	P448-D521 WeakPolarHBondContact CD-O 3.42Å; P448-E522 HydrophobicContact CG-CB 3.81Å; P448-K525 HydrophobicContact CB-CB 4.22Å; P448-K525 HydrophobicContact CG-CB 3.98Å; P448-M526 HydrophobicContact CB-CG 3.82Å; P448-M526 HydrophobicContact CG-CG 4.37Å; P448-M529 HydrophobicContact CB-SD 3.93Å; P448-F531 WeakPolarHBondContact O-CE2 3.49Å
449	T	87.4	Confident	91	Very high	7 Å²	7	20.8 Å²	20.8	4%	0.043	10%	0.1	C	C	.	.	S	Bend	trans	-124.6	151.4	-173.9	59.5	0	0	0	0	111.2	A447 E451 L452 A453 M529 R697	A447-T449 VanDerWaalsContact C-N 3.28Å; A447-T449 PolarHBondContact O-N 3.29Å; T449-E451 PolarHBondContact O-N 2.95Å; T449-L452 PolarHBondContact O-N 3.49Å; T449-L452 VanDerWaalsContact OG1-CB 3.32Å; T449-L452 WeakPolarHBondContact OG1-CB 3.27Å; T449-L452 PolarHBondContact OG1-N 3.42Å; T449-A453 WeakPolarHBondContact O-CB 3.36Å; T449-A453 PolarHBondContact O-N 3.48Å; T449-A453 VanDerWaalsContact O-N 3.08Å; T449-M529 HydrophobicContact CG2-CE 4.37Å; T449-M529 HydrophobicContact CG2-SD 4.02Å; T449-R697 HydrophobicContact CG2-CB 4.34Å
450	R	86.2	Confident	91.5	Very high	27 Å²	27	17.8 Å²	17.8	10%	0.102	9%	0.086	C	C	.	.	H	α-helix	trans	-59	-42.8	173.7	170	179.1	-173.2	158.8	10.5	110.6	L452 A453 Q454 I475 G476 G477 Q671	R450-L452 PolarHBondContact O-N 2.83Å; R450-A453 WeakPolarHBondContact O-CB 3.49Å; R450-A453 PolarHBondContact O-N 3.11Å; R450-Q454 HydrophobicContact CG-CG 4.33Å; R450-Q454 WeakPolarHBondContact O-CG 3.47Å; R450-Q454 PolarHBondContact O-N 2.85Å; R450-I475 HydrophobicContact CG-CB 4.11Å; R450-I475 HydrophobicContact CG-CD1 4.03Å; R450-I475 HydrophobicContact CG-CG2 4.43Å; R450-G476 WeakPolarHBondContact CD-O 3.47Å; R450-G476 VanDerWaalsContact CZ-O 3.23Å; R450-G476 PolarHBondContact NH1-O 3.14Å; R450-G477 PolarHBondContact NH1-O 3.14Å; R450-Q671 VanDerWaalsContact CZ-OE1 3.23Å; R450-Q671 VanDerWaalsContact NE-CD 3.31Å
451	E	83	Confident	91.8	Very high	20 Å²	20	18.9 Å²	18.9	9%	0.093	9%	0.09	C	C	.	.	H	α-helix	trans	-64.3	-39.6	-174.7	-67.5	76.3	-175.9	0	0	111.6	T449 Q455 R674	T449-E451 PolarHBondContact O-N 2.95Å; E451-Q455 WeakPolarHBondContact O-CG 3.32Å; E451-Q455 PolarHBondContact O-N 2.95Å; E451-Q455 PolarHBondContact O-NE2 3.18Å; E451-R674 IonicContact OE1-CZ 2.98Å; E451-R674 IonicContact OE1-NH1 3.61Å; E451-R674 PolarHBondContact OE1-NH1 3.04Å
452	L	87.2	Confident	91.8	Very high	11 Å²	11	23.2 Å²	23.2	6%	0.058	11%	0.109	C	C	.	.	H	α-helix	trans	-70.8	-42	171.7	-173.9	70.4	0	0	0	111.7	A447 T449 R450 Q454 Q455 I456 E522	A447-L452 HydrophobicContact CB-CB 4.24Å; A447-L452 HydrophobicContact CB-CD2 3.92Å; A447-L452 HydrophobicContact CB-CG 4.15Å; T449-L452 PolarHBondContact O-N 3.49Å; T449-L452 VanDerWaalsContact OG1-CB 3.32Å; T449-L452 WeakPolarHBondContact OG1-CB 3.27Å; T449-L452 PolarHBondContact OG1-N 3.42Å; R450-L452 PolarHBondContact O-N 2.83Å; L452-Q454 VanDerWaalsContact C-N 3.3Å; L452-Q454 PolarHBondContact O-N 3Å; L452-Q455 PolarHBondContact O-N 3.04Å; L452-Q455 VanDerWaalsContact O-N 3.15Å; L452-I456 HydrophobicContact CD2-CD1 4.4Å; L452-I456 HydrophobicContact CG-CD1 4.01Å; L452-I456 HydrophobicContact CG-CG1 4.45Å; L452-I456 WeakPolarHBondContact O-CG1 3.42Å; L452-I456 PolarHBondContact O-N 3.35Å; L452-E522 HydrophobicContact CD2-CB 4.32Å; L452-E522 HydrophobicContact CD2-CG 3.69Å
453	A	91.7	Very high	91.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59	-40.2	176.9	0	0	0	0	0	112.2	A447 T449 R450 I456 E457 I475 I495	A447-A453 HydrophobicContact CB-CB 4.08Å; T449-A453 WeakPolarHBondContact O-CB 3.36Å; T449-A453 PolarHBondContact O-N 3.48Å; T449-A453 VanDerWaalsContact O-N 3.08Å; R450-A453 WeakPolarHBondContact O-CB 3.49Å; R450-A453 PolarHBondContact O-N 3.11Å; A453-I456 PolarHBondContact O-N 3.46Å; A453-E457 WeakPolarHBondContact O-CB 3.45Å; A453-E457 PolarHBondContact O-N 2.68Å; A453-I475 HydrophobicContact CB-CG2 3.49Å; A453-I475 VanDerWaalsContact CB-CG2 3.49Å; A453-I495 HydrophobicContact CB-CG2 4.11Å
454	Q	89.1	Confident	91.6	Very high	38 Å²	38	23 Å²	23	18%	0.178	11%	0.109	C	C	.	.	H	α-helix	trans	-64.8	-40.8	174	-73.9	177.2	-61	0	0	112.2	R450 L452 I456 E457 E458 I475 E675	R450-Q454 HydrophobicContact CG-CG 4.33Å; R450-Q454 WeakPolarHBondContact O-CG 3.47Å; R450-Q454 PolarHBondContact O-N 2.85Å; L452-Q454 VanDerWaalsContact C-N 3.3Å; L452-Q454 PolarHBondContact O-N 3Å; Q454-I456 PolarHBondContact O-N 2.87Å; Q454-E457 WeakPolarHBondContact O-CB 3.45Å; Q454-E457 PolarHBondContact O-N 3.42Å; Q454-E458 WeakPolarHBondContact O-CG 3.29Å; Q454-E458 PolarHBondContact O-N 2.91Å; Q454-I475 HydrophobicContact CG-CD1 3.61Å; Q454-E675 PolarHBondContact NE2-OE1 3.44Å
455	Q	87.9	Confident	91.3	Very high	54 Å²	54	32 Å²	32	25%	0.252	14%	0.142	S	C	.	.	H	α-helix	trans	-63.9	-40.6	175	-72.9	162.7	30.3	0	0	112.4	E451 L452 E457 E459 G698	E451-Q455 WeakPolarHBondContact O-CG 3.32Å; E451-Q455 PolarHBondContact O-N 2.95Å; E451-Q455 PolarHBondContact O-NE2 3.18Å; L452-Q455 PolarHBondContact O-N 3.04Å; L452-Q455 VanDerWaalsContact O-N 3.15Å; Q455-E457 VanDerWaalsContact C-N 3.34Å; Q455-E459 WeakPolarHBondContact O-CB 3.36Å; Q455-E459 PolarHBondContact O-N 3.19Å; Q455-E459 VanDerWaalsContact O-N 3.15Å; Q455-G698 PolarHBondContact NE2-O 2.77Å
456	I	93.1	Very high	91	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.6	-39.7	173.9	-63.3	170.3	0	0	0	109.8	T414 F417 I445 A447 L452 A453 Q454 E459 T460 I495 D521	T414-I456 HydrophobicContact CG2-CB 4.44Å; T414-I456 HydrophobicContact CG2-CG1 4.26Å; T414-I456 HydrophobicContact CG2-CG2 4.19Å; F417-I456 HydrophobicContact CE2-CG2 4.47Å; F417-I456 HydrophobicContact CZ-CG2 4.17Å; I445-I456 HydrophobicContact CD1-CG2 4.21Å; I445-I456 HydrophobicContact CG2-CD1 4.01Å; I445-I456 HydrophobicContact CG2-CG2 3.85Å; A447-I456 HydrophobicContact CB-CD1 4.14Å; L452-I456 HydrophobicContact CD2-CD1 4.4Å; L452-I456 HydrophobicContact CG-CD1 4.01Å; L452-I456 HydrophobicContact CG-CG1 4.45Å; L452-I456 WeakPolarHBondContact O-CG1 3.42Å; L452-I456 PolarHBondContact O-N 3.35Å; A453-I456 PolarHBondContact O-N 3.46Å; Q454-I456 PolarHBondContact O-N 2.87Å; I456-E459 PolarHBondContact O-N 3.29Å; I456-T460 WeakPolarHBondContact O-CB 3.47Å; I456-T460 PolarHBondContact O-N 2.79Å; I456-T460 PolarHBondContact O-OG1 3.47Å; I456-I495 HydrophobicContact CB-CG2 4.18Å; I456-I495 HydrophobicContact CG2-CD1 3.9Å; I456-I495 HydrophobicContact CG2-CG1 4.22Å; I456-I495 HydrophobicContact CG2-CG2 4.02Å; I456-D521 HydrophobicContact CD1-CB 4.3Å
457	E	93.7	Very high	90.7	Very high	47 Å²	47	37 Å²	37	22%	0.22	17%	0.173	C	C	.	.	H	α-helix	trans	-62.2	-51.5	175.9	178.1	178.4	-153.8	0	0	112.1	A453 Q454 Q455 E459 T460 V461 S473 I495	A453-E457 WeakPolarHBondContact O-CB 3.45Å; A453-E457 PolarHBondContact O-N 2.68Å; Q454-E457 WeakPolarHBondContact O-CB 3.45Å; Q454-E457 PolarHBondContact O-N 3.42Å; Q455-E457 VanDerWaalsContact C-N 3.34Å; E457-E459 VanDerWaalsContact C-N 3.28Å; E457-E459 PolarHBondContact O-N 2.87Å; E457-T460 PolarHBondContact O-N 3.28Å; E457-V461 HydrophobicContact CG-CG2 4.25Å; E457-V461 WeakPolarHBondContact O-CB 3.35Å; E457-V461 VanDerWaalsContact O-CG2 3.27Å; E457-V461 WeakPolarHBondContact O-CG2 3.42Å; E457-V461 PolarHBondContact O-N 3.18Å; E457-S473 WeakPolarHBondContact OE1-CB 3.45Å; E457-S473 PolarHBondContact OE1-OG 3.06Å; E457-S473 WeakPolarHBondContact OE2-CB 3.42Å; E457-S473 PolarHBondContact OE2-OG 2.9Å; E457-I495 VanDerWaalsContact CA-CD1 3.49Å; E457-I495 HydrophobicContact CB-CD1 3.99Å
458	E	91.9	Very high	90.4	Very high	118 Å²	118	39.4 Å²	39.4	55%	0.551	20%	0.199	S	C	*	.	H	α-helix	trans	-53.4	-45.8	177.2	-76.3	178.6	-159.2	0	0	111.7	Q454 K462	Q454-E458 WeakPolarHBondContact O-CG 3.29Å; Q454-E458 PolarHBondContact O-N 2.91Å; E458-K462 WeakPolarHBondContact O-CE 3.37Å; E458-K462 WeakPolarHBondContact O-CG 3.3Å; E458-K462 PolarHBondContact O-N 2.95Å
459	E	91.7	Very high	90.4	Very high	27 Å²	27	39.8 Å²	39.8	13%	0.126	20%	0.2	C	C	.	.	H	α-helix	trans	-71.1	-44.4	179.4	-155.1	57.8	-142.1	0	0	111.8	Y383 T414 Q455 I456 E457 V461 K462 F463	Y383-E459 WeakPolarHBondContact CE2-OE1 3.4Å; Y383-E459 PolarHBondContact OH-OE1 3.4Å; Y383-E459 VanDerWaalsContact OH-OE1 3.14Å; T414-E459 HydrophobicContact CG2-CB 3.96Å; T414-E459 HydrophobicContact CG2-CG 4.14Å; Q455-E459 WeakPolarHBondContact O-CB 3.36Å; Q455-E459 PolarHBondContact O-N 3.19Å; Q455-E459 VanDerWaalsContact O-N 3.15Å; I456-E459 PolarHBondContact O-N 3.29Å; E457-E459 VanDerWaalsContact C-N 3.28Å; E457-E459 PolarHBondContact O-N 2.87Å; E459-V461 VanDerWaalsContact C-N 3.26Å; E459-V461 PolarHBondContact O-N 2.88Å; E459-K462 WeakPolarHBondContact O-CB 3.34Å; E459-K462 PolarHBondContact O-N 2.95Å; E459-K462 VanDerWaalsContact O-N 3.17Å; E459-K462 IonicContact OE2-NZ 2.8Å; E459-K462 PolarHBondContact OE2-NZ 3.37Å; E459-F463 HydrophobicContact CG-CD2 4.3Å; E459-F463 HydrophobicContact CG-CE2 4.14Å; E459-F463 WeakPolarHBondContact O-CD2 3.38Å; E459-F463 PolarHBondContact O-N 3.13Å; E459-F463 WeakPolarHBondContact OE1-CE2 3.48Å
460	T	95	Very high	90.6	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-59.1	-39.2	176.7	-53.5	0	0	0	0	111.2	L418 I456 E457 F463 G464 T471 I493 I495	L418-T460 HydrophobicContact CD1-CG2 4.48Å; L418-T460 HydrophobicContact CD2-CG2 3.87Å; I456-T460 WeakPolarHBondContact O-CB 3.47Å; I456-T460 PolarHBondContact O-N 2.79Å; I456-T460 PolarHBondContact O-OG1 3.47Å; E457-T460 PolarHBondContact O-N 3.28Å; T460-F463 PolarHBondContact O-N 2.97Å; T460-G464 WeakPolarHBondContact O-CA 3.31Å; T460-G464 PolarHBondContact O-N 3.07Å; T460-T471 HydrophobicContact CG2-CG2 3.79Å; T460-T471 WeakPolarHBondContact CG2-OG1 3.48Å; T460-I493 HydrophobicContact CG2-CD1 3.88Å; T460-I493 HydrophobicContact CG2-CG2 4.22Å; T460-I495 HydrophobicContact CG2-CD1 4.31Å
461	V	94.6	Very high	91	Very high	36 Å²	36	44.1 Å²	44.1	22%	0.218	22%	0.221	C	C	.	.	H	α-helix	trans	-69.7	-36	178.3	169.6	0	0	0	0	112.1	E457 E459 F463 R465	E457-V461 HydrophobicContact CG-CG2 4.25Å; E457-V461 WeakPolarHBondContact O-CB 3.35Å; E457-V461 VanDerWaalsContact O-CG2 3.27Å; E457-V461 WeakPolarHBondContact O-CG2 3.42Å; E457-V461 PolarHBondContact O-N 3.18Å; E459-V461 VanDerWaalsContact C-N 3.26Å; E459-V461 PolarHBondContact O-N 2.88Å; V461-F463 VanDerWaalsContact C-N 3.34Å; V461-F463 PolarHBondContact O-N 3.33Å; V461-R465 HydrophobicContact CG1-CB 4.49Å; V461-R465 WeakPolarHBondContact O-CB 3.32Å; V461-R465 PolarHBondContact O-N 3.1Å
462	K	92.8	Very high	91.4	Very high	94 Å²	94	43.7 Å²	43.7	41%	0.409	22%	0.22	S	C	.	.	H	α-helix	trans	-60.6	-43.2	173.5	-69.9	166.2	-152.3	164.3	0	111.8	V381 E458 E459 P466	V381-K462 HydrophobicContact CG1-CB 4.24Å; V381-K462 HydrophobicContact CG1-CD 4.31Å; V381-K462 HydrophobicContact CG2-CB 4.18Å; E458-K462 WeakPolarHBondContact O-CE 3.37Å; E458-K462 WeakPolarHBondContact O-CG 3.3Å; E458-K462 PolarHBondContact O-N 2.95Å; E459-K462 WeakPolarHBondContact O-CB 3.34Å; E459-K462 PolarHBondContact O-N 2.95Å; E459-K462 VanDerWaalsContact O-N 3.17Å; E459-K462 IonicContact OE2-NZ 2.8Å; E459-K462 PolarHBondContact OE2-NZ 3.37Å; K462-P466 WeakPolarHBondContact O-CD 3.42Å; K462-P466 WeakPolarHBondContact O-CG 3.4Å
463	F	92.2	Very high	91.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-78	-41.2	178	-79.1	-79.2	0	0	0	113.4	V377 I378 V381 Y383 A415 L418 L422 E459 T460 V461 L467	V377-F463 HydrophobicContact CG1-CD1 3.78Å; V377-F463 HydrophobicContact CG1-CE1 4.46Å; I378-F463 HydrophobicContact CG1-CE1 3.82Å; V381-F463 HydrophobicContact CB-CE1 4.45Å; V381-F463 HydrophobicContact CB-CZ 4.3Å; V381-F463 HydrophobicContact CG1-CE2 4.07Å; V381-F463 HydrophobicContact CG1-CZ 4.12Å; V381-F463 HydrophobicContact CG2-CD1 4.36Å; V381-F463 HydrophobicContact CG2-CE1 4.32Å; Y383-F463 HydrophobicContact CD2-CE2 4.3Å; Y383-F463 AromaticContact CD2-CZ 3.66Å; Y383-F463 HydrophobicContact CD2-CZ 3.66Å; Y383-F463 AromaticContact CE2-CE2 3.66Å; Y383-F463 HydrophobicContact CE2-CE2 3.66Å; Y383-F463 AromaticContact CE2-CZ 3.5Å; Y383-F463 HydrophobicContact CE2-CZ 3.5Å; Y383-F463 VanDerWaalsContact CE2-CZ 3.5Å; A415-F463 HydrophobicContact CB-CE2 4.24Å; A415-F463 HydrophobicContact CB-CZ 4.23Å; L418-F463 HydrophobicContact CD1-CD2 4.44Å; L422-F463 HydrophobicContact CD1-CB 3.65Å; L422-F463 HydrophobicContact CD1-CD1 4.42Å; L422-F463 HydrophobicContact CD1-CG 4.26Å; E459-F463 HydrophobicContact CG-CD2 4.3Å; E459-F463 HydrophobicContact CG-CE2 4.14Å; E459-F463 WeakPolarHBondContact O-CD2 3.38Å; E459-F463 PolarHBondContact O-N 3.13Å; E459-F463 WeakPolarHBondContact OE1-CE2 3.48Å; T460-F463 PolarHBondContact O-N 2.97Å; V461-F463 VanDerWaalsContact C-N 3.34Å; V461-F463 PolarHBondContact O-N 3.33Å; F463-L467 VanDerWaalsContact O-CD1 3.32Å; F463-L467 WeakPolarHBondContact O-CD1 3.35Å; F463-L467 WeakPolarHBondContact O-CG 3.34Å
464	G	91.3	Very high	91.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-81.7	-35.1	-171.3	0	0	0	0	0	114.6	T460 L467 G468 I469	T460-G464 WeakPolarHBondContact O-CA 3.31Å; T460-G464 PolarHBondContact O-N 3.07Å; G464-L467 CarbonylContact O-C 3.55Å; G464-L467 WeakPolarHBondContact O-CA 3.45Å; G464-L467 PolarHBondContact O-N 3.48Å; G464-G468 PolarHBondContact O-N 2.93Å; G464-G468 VanDerWaalsContact O-N 3.16Å; G464-I469 PolarHBondContact O-N 3.33Å
465	R	90.7	Very high	91.9	Very high	191 Å²	191	41.8 Å²	41.8	72%	0.721	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-60.4	-44.8	-179.2	-176.4	-173.7	-64.5	174	-0.1	113	V461 L467 G468	V461-R465 HydrophobicContact CG1-CB 4.49Å; V461-R465 WeakPolarHBondContact O-CB 3.32Å; V461-R465 PolarHBondContact O-N 3.1Å; R465-L467 PolarHBondContact O-N 2.77Å; R465-G468 PolarHBondContact O-N 3.35Å
466	P	91	Very high	91.6	Very high	83 Å²	83	40.9 Å²	40.9	54%	0.539	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-60.7	-22.2	173.6	-25	35.8	0	0	0	114.5	V377 K462	V377-P466 HydrophobicContact CG1-CG 4.39Å; V377-P466 HydrophobicContact CG2-CB 3.65Å; V377-P466 HydrophobicContact CG2-CG 4.26Å; K462-P466 WeakPolarHBondContact O-CD 3.42Å; K462-P466 WeakPolarHBondContact O-CG 3.4Å
467	L	89.4	Confident	90.9	Very high	20 Å²	20	44 Å²	44	11%	0.105	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-98.4	-0.4	-176.2	-56.9	177.1	0	0	0	113.1	L374 V377 L422 F463 G464 R465 I469	L374-L467 HydrophobicContact CD1-CD1 4.03Å; V377-L467 HydrophobicContact CG2-CD2 3.83Å; V377-L467 HydrophobicContact CG2-CG 4.28Å; L422-L467 HydrophobicContact CB-CD1 4.17Å; L422-L467 HydrophobicContact CD1-CD1 4.37Å; L422-L467 HydrophobicContact CD2-CD1 4.19Å; L422-L467 HydrophobicContact CG-CD1 4.48Å; F463-L467 VanDerWaalsContact O-CD1 3.32Å; F463-L467 WeakPolarHBondContact O-CD1 3.35Å; F463-L467 WeakPolarHBondContact O-CG 3.34Å; G464-L467 CarbonylContact O-C 3.55Å; G464-L467 WeakPolarHBondContact O-CA 3.45Å; G464-L467 PolarHBondContact O-N 3.48Å; R465-L467 PolarHBondContact O-N 2.77Å; L467-I469 VanDerWaalsContact C-N 3.34Å; L467-I469 HydrophobicContact CB-CD1 3.97Å; L467-I469 HydrophobicContact CB-CG1 4.13Å; L467-I469 HydrophobicContact CD1-CD1 4.35Å
468	G	88.3	Confident	90.2	Very high	52 Å²	52	44.8 Å²	44.8	54%	0.536	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	36.4	-175.4	0	0	0	0	0	113.3	G464 R465	G464-G468 PolarHBondContact O-N 2.93Å; G464-G468 VanDerWaalsContact O-N 3.16Å; R465-G468 PolarHBondContact O-N 3.35Å
469	I	90.6	Very high	89.6	Confident	10 Å²	10	42.1 Å²	42.1	5%	0.051	25%	0.249	C	C	.	.			trans	-106.5	123.6	177.4	-64.6	173.7	0	0	0	108.1	L422 I425 G464 L467 E492 I493	L422-I469 HydrophobicContact CD2-CD1 3.54Å; I425-I469 HydrophobicContact CB-CD1 4.01Å; I425-I469 HydrophobicContact CD1-CD1 4.41Å; I425-I469 HydrophobicContact CD1-CG2 4.38Å; I425-I469 HydrophobicContact CG2-CD1 3.69Å; I425-I469 HydrophobicContact CG2-CG1 3.94Å; G464-I469 PolarHBondContact O-N 3.33Å; L467-I469 VanDerWaalsContact C-N 3.34Å; L467-I469 HydrophobicContact CB-CD1 3.97Å; L467-I469 HydrophobicContact CB-CG1 4.13Å; L467-I469 HydrophobicContact CD1-CD1 4.35Å; I469-E492 HydrophobicContact CG2-CB 3.98Å; I469-I493 HydrophobicContact CG2-CD1 3.83Å; I469-I493 HydrophobicContact CG2-CG1 4.07Å
470	K	91.1	Very high	89.1	Confident	102 Å²	102	49 Å²	49	44%	0.443	27%	0.274	S	S	.	.			trans	-83.9	145.8	179.2	-53.2	170.5	-176	168	0	110.1	M489 G490 E492 I493	K470-M489 PolarHBondContact NZ-O 3.13Å; K470-G490 WeakPolarHBondContact CD-O 3.49Å; K470-E492 WeakPolarHBondContact CA-OE2 3.29Å; K470-E492 WeakPolarHBondContact CB-OE2 3.13Å; K470-E492 WeakPolarHBondContact CG-OE2 3.31Å; K470-E492 PolarHBondContact N-OE2 3.09Å; K470-E492 PolarHBondContact O-N 3.47Å; K470-I493 PolarHBondContact O-N 3.26Å
471	T	93.9	Very high	88.5	Confident	23 Å²	23	56.5 Å²	56.5	14%	0.141	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	136	178.9	-55.7	0	0	0	0	109	T460 I493 I495	T460-T471 HydrophobicContact CG2-CG2 3.79Å; T460-T471 WeakPolarHBondContact CG2-OG1 3.48Å; T471-I493 VanDerWaalsContact CA-O 3.3Å; T471-I493 WeakPolarHBondContact CA-O 3.42Å; T471-I493 HydrophobicContact CG2-CB 4.36Å; T471-I493 HydrophobicContact CG2-CG2 4.34Å; T471-I495 HydrophobicContact CG2-CD1 3.41Å; T471-I495 VanDerWaalsContact CG2-CD1 3.41Å; T471-I495 HydrophobicContact CG2-CG1 4.12Å
472	V	93.3	Very high	88.1	Confident	10 Å²	10	57.5 Å²	57.5	6%	0.061	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	131.8	179.9	172.3	0	0	0	0	110.5	L474 K486 L487 A491 I493 V494 I495	V472-L474 HydrophobicContact CG1-CD2 4.3Å; V472-K486 HydrophobicContact CG1-CB 3.92Å; V472-K486 HydrophobicContact CG2-CB 4.01Å; V472-L487 HydrophobicContact CG1-CD2 4.19Å; V472-L487 HydrophobicContact CG1-CG 4.43Å; V472-A491 HydrophobicContact CB-CB 3.94Å; V472-A491 HydrophobicContact CG2-CB 3.59Å; V472-I493 PolarHBondContact N-O 3.12Å; V472-V494 WeakPolarHBondContact O-CA 3.16Å; V472-I495 PolarHBondContact O-N 2.9Å
473	S	93.3	Very high	87.7	Confident	8 Å²	8	53.1 Å²	53.1	6%	0.056	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	125.9	175.7	59.8	0	0	0	0	114.1	E457 Q483 I495	E457-S473 WeakPolarHBondContact OE1-CB 3.45Å; E457-S473 PolarHBondContact OE1-OG 3.06Å; E457-S473 WeakPolarHBondContact OE2-CB 3.42Å; E457-S473 PolarHBondContact OE2-OG 2.9Å; S473-Q483 PolarHBondContact O-NE2 3.15Å; S473-I495 CarbonylContact C-O 3.47Å; S473-I495 VanDerWaalsContact CA-O 3.28Å; S473-I495 WeakPolarHBondContact CA-O 3.24Å
474	L	93.2	Very high	87.3	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	77.2	176.1	-61.5	-176.6	0	0	0	109.4	V472 Q483 L487 V494 I495 G496 T497 R500 L501 V504 M510	V472-L474 HydrophobicContact CG1-CD2 4.3Å; L474-Q483 HydrophobicContact CD2-CB 4.09Å; L474-Q483 HydrophobicContact CD2-CG 4.28Å; L474-L487 HydrophobicContact CD1-CD1 4.27Å; L474-L487 HydrophobicContact CD1-CD2 4.28Å; L474-L487 HydrophobicContact CD2-CD1 3.91Å; L474-L487 HydrophobicContact CD2-CD2 4.36Å; L474-L487 HydrophobicContact CD2-CG 4.18Å; L474-V494 HydrophobicContact CD1-CG1 3.62Å; L474-V494 HydrophobicContact CG-CG1 4.04Å; L474-I495 PolarHBondContact N-O 2.84Å; L474-G496 WeakPolarHBondContact O-CA 3.21Å; L474-T497 PolarHBondContact O-N 2.53Å; L474-R500 HydrophobicContact CB-CG 4.41Å; L474-R500 WeakPolarHBondContact O-CG 3.23Å; L474-L501 HydrophobicContact CB-CD2 4.2Å; L474-L501 HydrophobicContact CD1-CD2 3.79Å; L474-V504 HydrophobicContact CD1-CB 4.32Å; L474-V504 HydrophobicContact CD1-CG1 3.91Å; L474-V504 HydrophobicContact CD1-CG2 4.26Å; L474-M510 HydrophobicContact CD1-CE 4.07Å; L474-M510 HydrophobicContact CD1-SD 4.26Å
475	I	90	Very high	87	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	33%	0.329	C	S	.	.			trans	-117.5	151.5	-177	53.2	175.3	0	0	0	111.6	R450 A453 Q454 L478 Q483	R450-I475 HydrophobicContact CG-CB 4.11Å; R450-I475 HydrophobicContact CG-CD1 4.03Å; R450-I475 HydrophobicContact CG-CG2 4.43Å; A453-I475 HydrophobicContact CB-CG2 3.49Å; A453-I475 VanDerWaalsContact CB-CG2 3.49Å; Q454-I475 HydrophobicContact CG-CD1 3.61Å; I475-L478 HydrophobicContact CD1-CD1 3.86Å; I475-L478 HydrophobicContact CD1-CG 4.25Å; I475-L478 HydrophobicContact CG1-CD1 3.72Å; I475-L478 HydrophobicContact CG1-CG 4.1Å; I475-Q483 VanDerWaalsContact N-NE2 3.18Å; I475-Q483 PolarHBondContact O-NE2 3.35Å
476	G	82.9	Confident	86.9	Confident	36 Å²	36	53.5 Å²	53.5	37%	0.371	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	147.3	175.3	0	0	0	0	0	112.8	R450	R450-G476 WeakPolarHBondContact CD-O 3.47Å; R450-G476 VanDerWaalsContact CZ-O 3.23Å; R450-G476 PolarHBondContact NH1-O 3.14Å
477	G	77.5	Confident	86.7	Confident	66 Å²	66	50.7 Å²	50.7	68%	0.68	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	15.6	175.6	0	0	0	0	0	115.8	R450	R450-G477 PolarHBondContact NH1-O 3.14Å
478	L	78.6	Confident	86.5	Confident	62 Å²	62	59.7 Å²	59.7	33%	0.325	32%	0.323	S	S	.	.	S	Bend	trans	-99.3	162.4	154	-65.6	180	0	0	0	109.2	I475 R480 Q483	I475-L478 HydrophobicContact CD1-CD1 3.86Å; I475-L478 HydrophobicContact CD1-CG 4.25Å; I475-L478 HydrophobicContact CG1-CD1 3.72Å; I475-L478 HydrophobicContact CG1-CG 4.1Å; L478-R480 PolarHBondContact O-N 3.31Å; L478-Q483 HydrophobicContact CB-CG 4.41Å
479	S	81.2	Confident	86.3	Confident	63 Å²	63	62.7 Å²	62.7	44%	0.441	32%	0.324	S	S	.	.			trans	-62.1	135.1	174	179.9	0	0	0	0	110.6	E481 D482 Q483	S479-E481 PolarHBondContact O-N 2.77Å; S479-E481 PolarHBondContact OG-N 3.06Å; S479-D482 PolarHBondContact O-N 2.72Å; S479-Q483 PolarHBondContact O-N 2.63Å
480	R	81.2	Confident	86	Confident	172 Å²	172	62.5 Å²	62.5	65%	0.649	32%	0.324	S	S	*	.	H	α-helix	trans	-61.4	-32.5	175.3	-64.3	-174	166.4	-166.9	-7.3	111.5	L478 A484	L478-R480 PolarHBondContact O-N 3.31Å; R480-A484 WeakPolarHBondContact O-CB 3.26Å; R480-A484 PolarHBondContact O-N 2.89Å
481	E	82.1	Confident	85.9	Confident	157 Å²	157	58.3 Å²	58.3	73%	0.734	31%	0.308	S	S	*	.	H	α-helix	trans	-71.3	-44.4	-178.6	-62.6	172.2	170.9	0	0	111.8	S479 A484 L485	S479-E481 PolarHBondContact O-N 2.77Å; S479-E481 PolarHBondContact OG-N 3.06Å; E481-A484 PolarHBondContact O-N 3.41Å; E481-L485 WeakPolarHBondContact O-CB 3.48Å; E481-L485 PolarHBondContact O-N 3.36Å
482	D	84.7	Confident	85.8	Confident	57 Å²	57	58.1 Å²	58.1	31%	0.305	31%	0.306	S	S	.	.	H	α-helix	trans	-62.9	-41.8	175.6	173.8	54.7	0	0	0	111.4	S479 L485 K486	S479-D482 PolarHBondContact O-N 2.72Å; D482-L485 PolarHBondContact O-N 3.09Å; D482-K486 VanDerWaalsContact CG-NZ 3.32Å; D482-K486 WeakPolarHBondContact O-CB 3.44Å; D482-K486 VanDerWaalsContact O-CG 3.31Å; D482-K486 WeakPolarHBondContact O-CG 3.38Å; D482-K486 PolarHBondContact O-N 3.4Å; D482-K486 WeakPolarHBondContact OD1-CE 3.33Å; D482-K486 IonicContact OD1-NZ 2.68Å; D482-K486 PolarHBondContact OD1-NZ 2.85Å; D482-K486 WeakPolarHBondContact OD2-CE 3.23Å; D482-K486 IonicContact OD2-NZ 3.13Å; D482-K486 PolarHBondContact OD2-NZ 3.07Å
483	Q	84.7	Confident	85.9	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.009	30%	0.303	C	S	.	.	H	α-helix	trans	-62.6	-45.1	173.1	-73.4	-179.2	-21.7	0	0	112.4	S473 L474 I475 L478 S479 L485 K486 L487	S473-Q483 PolarHBondContact O-NE2 3.15Å; L474-Q483 HydrophobicContact CD2-CB 4.09Å; L474-Q483 HydrophobicContact CD2-CG 4.28Å; I475-Q483 VanDerWaalsContact N-NE2 3.18Å; I475-Q483 PolarHBondContact O-NE2 3.35Å; L478-Q483 HydrophobicContact CB-CG 4.41Å; S479-Q483 PolarHBondContact O-N 2.63Å; Q483-L485 PolarHBondContact O-N 3.03Å; Q483-K486 PolarHBondContact O-N 3.44Å; Q483-L487 WeakPolarHBondContact O-CG 3.26Å; Q483-L487 PolarHBondContact O-N 2.79Å
484	A	83.6	Confident	86	Confident	23 Å²	23	57.2 Å²	57.2	19%	0.19	30%	0.3	C	S	.	.	H	α-helix	trans	-65.1	-38	177.6	0	0	0	0	0	112.2	R480 E481 L487 R488	R480-A484 WeakPolarHBondContact O-CB 3.26Å; R480-A484 PolarHBondContact O-N 2.89Å; E481-A484 PolarHBondContact O-N 3.41Å; A484-L487 PolarHBondContact O-N 3.07Å; A484-R488 VanDerWaalsContact O-CG 3.31Å; A484-R488 WeakPolarHBondContact O-CG 3.47Å; A484-R488 PolarHBondContact O-N 3.31Å
485	L	86.5	Confident	86.1	Confident	104 Å²	104	57.2 Å²	57.2	55%	0.545	30%	0.3	S	S	.	.	H	α-helix	trans	-65	-43.9	175.1	-175.2	65.3	0	0	0	111.4	E481 D482 Q483 R488 M489	E481-L485 WeakPolarHBondContact O-CB 3.48Å; E481-L485 PolarHBondContact O-N 3.36Å; D482-L485 PolarHBondContact O-N 3.09Å; Q483-L485 PolarHBondContact O-N 3.03Å; L485-R488 PolarHBondContact O-N 3.08Å; L485-M489 PolarHBondContact O-N 3.28Å
486	K	87.5	Confident	86.3	Confident	72 Å²	72	57.2 Å²	57.2	31%	0.313	30%	0.3	S	S	.	.	H	α-helix	trans	-62	-42.1	175.3	-76	167.1	177.7	165.6	0	112.6	V472 D482 Q483 M489	V472-K486 HydrophobicContact CG1-CB 3.92Å; V472-K486 HydrophobicContact CG2-CB 4.01Å; D482-K486 VanDerWaalsContact CG-NZ 3.32Å; D482-K486 WeakPolarHBondContact O-CB 3.44Å; D482-K486 VanDerWaalsContact O-CG 3.31Å; D482-K486 WeakPolarHBondContact O-CG 3.38Å; D482-K486 PolarHBondContact O-N 3.4Å; D482-K486 WeakPolarHBondContact OD1-CE 3.33Å; D482-K486 IonicContact OD1-NZ 2.68Å; D482-K486 PolarHBondContact OD1-NZ 2.85Å; D482-K486 WeakPolarHBondContact OD2-CE 3.23Å; D482-K486 IonicContact OD2-NZ 3.13Å; D482-K486 PolarHBondContact OD2-NZ 3.07Å; Q483-K486 PolarHBondContact O-N 3.44Å; K486-M489 HydrophobicContact CG-CE 4.07Å; K486-M489 PolarHBondContact O-N 3.3Å
487	L	86.5	Confident	86.9	Confident	24 Å²	24	56.3 Å²	56.3	13%	0.126	29%	0.288	C	S	.	.	H	α-helix	trans	-62.2	-40.7	173.7	-72.7	173	0	0	0	112.3	V472 L474 Q483 A484 M489 G490 V494 V504 M510	V472-L487 HydrophobicContact CG1-CD2 4.19Å; V472-L487 HydrophobicContact CG1-CG 4.43Å; L474-L487 HydrophobicContact CD1-CD1 4.27Å; L474-L487 HydrophobicContact CD1-CD2 4.28Å; L474-L487 HydrophobicContact CD2-CD1 3.91Å; L474-L487 HydrophobicContact CD2-CD2 4.36Å; L474-L487 HydrophobicContact CD2-CG 4.18Å; Q483-L487 WeakPolarHBondContact O-CG 3.26Å; Q483-L487 PolarHBondContact O-N 2.79Å; A484-L487 PolarHBondContact O-N 3.07Å; L487-M489 PolarHBondContact O-N 3.1Å; L487-G490 PolarHBondContact O-N 3.17Å; L487-V494 HydrophobicContact CD2-CG2 4.23Å; L487-V504 HydrophobicContact CD1-CG1 3.79Å; L487-M510 HydrophobicContact CD1-CB 4.41Å; L487-M510 HydrophobicContact CD2-SD 3.97Å
488	R	85.2	Confident	87.7	Confident	210 Å²	210	53.2 Å²	53.2	79%	0.792	26%	0.255	S	S	*	.	H	α-helix	trans	-63.8	-23.3	175.7	-74	174.5	-177.5	-162.8	1.2	114.2	A484 L485 G490	A484-R488 VanDerWaalsContact O-CG 3.31Å; A484-R488 WeakPolarHBondContact O-CG 3.47Å; A484-R488 PolarHBondContact O-N 3.31Å; L485-R488 PolarHBondContact O-N 3.08Å; R488-G490 PolarHBondContact O-N 2.85Å
489	M	85.2	Confident	88.3	Confident	115 Å²	115	51.3 Å²	51.3	57%	0.567	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-3.3	173.7	-67.3	-168.9	-69.3	0	0	113.6	K470 L485 K486 L487	K470-M489 PolarHBondContact NZ-O 3.13Å; L485-M489 PolarHBondContact O-N 3.28Å; K486-M489 HydrophobicContact CG-CE 4.07Å; K486-M489 PolarHBondContact O-N 3.3Å; L487-M489 PolarHBondContact O-N 3.1Å
490	G	84	Confident	88.8	Confident	6 Å²	6	49.6 Å²	49.6	6%	0.062	24%	0.235	C	C	.	.			trans	80.1	141.8	-175.3	0	0	0	0	0	113.3	T437 K470 L487 R488	T437-G490 VanDerWaalsContact CG2-CA 3.4Å; K470-G490 WeakPolarHBondContact CD-O 3.49Å; L487-G490 PolarHBondContact O-N 3.17Å; R488-G490 PolarHBondContact O-N 2.85Å
491	A	88.9	Confident	89.4	Confident	13 Å²	13	41.4 Å²	41.4	11%	0.107	20%	0.204	C	C	.	.			trans	-144.8	122	176.8	0	0	0	0	0	110.4	P441 V472 I493 V494	P441-A491 VanDerWaalsContact CA-O 3.26Å; P441-A491 WeakPolarHBondContact CA-O 3.37Å; P441-A491 WeakPolarHBondContact CB-O 3.22Å; V472-A491 HydrophobicContact CB-CB 3.94Å; V472-A491 HydrophobicContact CG2-CB 3.59Å; A491-I493 VanDerWaalsContact C-N 3.35Å; A491-V494 HydrophobicContact CB-CG2 4.08Å
492	E	91.6	Very high	90	Very high	19 Å²	19	34.7 Å²	34.7	9%	0.089	17%	0.173	C	C	.	.	S	Bend	trans	-69.5	-34	172.1	-68.9	98	146.8	0	0	112.2	I425 R433 Y442 A443 I469 K470	I425-E492 HydrophobicContact CD1-CB 4.43Å; R433-E492 IonicContact NH1-OE1 2.84Å; R433-E492 PolarHBondContact NH1-OE1 3.38Å; Y442-E492 WeakPolarHBondContact CB-O 3.28Å; Y442-E492 HydrophobicContact CD2-CB 3.91Å; Y442-E492 HydrophobicContact CD2-CG 3.79Å; Y442-E492 HydrophobicContact CE2-CG 3.99Å; Y442-E492 PolarHBondContact N-O 3.16Å; A443-E492 PolarHBondContact N-O 2.93Å; I469-E492 HydrophobicContact CG2-CB 3.98Å; K470-E492 WeakPolarHBondContact CA-OE2 3.29Å; K470-E492 WeakPolarHBondContact CB-OE2 3.13Å; K470-E492 WeakPolarHBondContact CG-OE2 3.31Å; K470-E492 PolarHBondContact N-OE2 3.09Å; K470-E492 PolarHBondContact O-N 3.47Å
493	I	95.1	Very high	90.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.1	-179.7	-54.3	178.3	0	0	0	109.9	L421 L422 I425 A443 I445 T460 I469 K470 T471 V472 A491 I495	L421-I493 HydrophobicContact CD2-CD1 3.83Å; L421-I493 HydrophobicContact CD2-CG1 4.19Å; L421-I493 HydrophobicContact CG-CD1 4.45Å; L422-I493 HydrophobicContact CD2-CD1 4.28Å; I425-I493 HydrophobicContact CD1-CD1 4.28Å; I425-I493 HydrophobicContact CD1-CG1 4.17Å; A443-I493 HydrophobicContact CB-CG1 4.46Å; I445-I493 HydrophobicContact CD1-CG2 3.73Å; T460-I493 HydrophobicContact CG2-CD1 3.88Å; T460-I493 HydrophobicContact CG2-CG2 4.22Å; I469-I493 HydrophobicContact CG2-CD1 3.83Å; I469-I493 HydrophobicContact CG2-CG1 4.07Å; K470-I493 PolarHBondContact O-N 3.26Å; T471-I493 VanDerWaalsContact CA-O 3.3Å; T471-I493 WeakPolarHBondContact CA-O 3.42Å; T471-I493 HydrophobicContact CG2-CB 4.36Å; T471-I493 HydrophobicContact CG2-CG2 4.34Å; V472-I493 PolarHBondContact N-O 3.12Å; A491-I493 VanDerWaalsContact C-N 3.35Å; I493-I495 HydrophobicContact CG2-CG1 4.25Å
494	V	95.4	Very high	90.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.9	173.4	165	0	0	0	0	109.9	P441 A443 I444 I445 V472 L474 L487 A491 L501 M510	P441-V494 HydrophobicContact CB-CB 4.07Å; P441-V494 HydrophobicContact CB-CG2 3.78Å; P441-V494 HydrophobicContact CG-CB 4.01Å; P441-V494 HydrophobicContact CG-CG2 3.87Å; A443-V494 PolarHBondContact O-N 3.17Å; I444-V494 CarbonylContact C-O 3.57Å; I444-V494 WeakPolarHBondContact CA-O 3.46Å; I445-V494 PolarHBondContact N-O 3.47Å; V472-V494 WeakPolarHBondContact O-CA 3.16Å; L474-V494 HydrophobicContact CD1-CG1 3.62Å; L474-V494 HydrophobicContact CG-CG1 4.04Å; L487-V494 HydrophobicContact CD2-CG2 4.23Å; A491-V494 HydrophobicContact CB-CG2 4.08Å; V494-L501 HydrophobicContact CG1-CD2 3.78Å; V494-M510 HydrophobicContact CB-SD 4.34Å; V494-M510 HydrophobicContact CG1-CE 4.25Å; V494-M510 HydrophobicContact CG1-SD 4.07Å; V494-M510 HydrophobicContact CG2-SD 3.87Å
495	I	96.1	Very high	91	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.3	179.7	-56.8	162.5	0	0	0	107.6	I445 A453 I456 E457 T460 T471 V472 S473 L474 I493	I445-I495 HydrophobicContact CB-CG1 4.16Å; I445-I495 HydrophobicContact CB-CG2 4.48Å; I445-I495 HydrophobicContact CD1-CG1 3.93Å; I445-I495 CarbonylContact O-C 3.51Å; I445-I495 WeakPolarHBondContact O-CA 3.44Å; A453-I495 HydrophobicContact CB-CG2 4.11Å; I456-I495 HydrophobicContact CB-CG2 4.18Å; I456-I495 HydrophobicContact CG2-CD1 3.9Å; I456-I495 HydrophobicContact CG2-CG1 4.22Å; I456-I495 HydrophobicContact CG2-CG2 4.02Å; E457-I495 VanDerWaalsContact CA-CD1 3.49Å; E457-I495 HydrophobicContact CB-CD1 3.99Å; T460-I495 HydrophobicContact CG2-CD1 4.31Å; T471-I495 HydrophobicContact CG2-CD1 3.41Å; T471-I495 VanDerWaalsContact CG2-CD1 3.41Å; T471-I495 HydrophobicContact CG2-CG1 4.12Å; V472-I495 PolarHBondContact O-N 2.9Å; S473-I495 CarbonylContact C-O 3.47Å; S473-I495 VanDerWaalsContact CA-O 3.28Å; S473-I495 WeakPolarHBondContact CA-O 3.24Å; L474-I495 PolarHBondContact N-O 2.84Å; I493-I495 HydrophobicContact CG2-CG1 4.25Å
496	G	94.3	Very high	91.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	170.9	-178.3	0	0	0	0	0	116.4	I445 M446 A447 L474	I445-G496 PolarHBondContact O-N 3.26Å; M446-G496 WeakPolarHBondContact CA-O 3.41Å; A447-G496 PolarHBondContact N-O 3.44Å; L474-G496 WeakPolarHBondContact O-CA 3.21Å
497	T	94.1	Very high	91.4	Very high	18 Å²	18	34.8 Å²	34.8	11%	0.11	17%	0.171	C	C	.	.			trans	-88.2	139.8	172.7	54.6	0	0	0	0	110.4	A447 L474 G499 R500 L501	A447-T497 WeakPolarHBondContact O-CA 3.19Å; L474-T497 PolarHBondContact O-N 2.53Å; T497-G499 PolarHBondContact O-N 2.68Å; T497-R500 PolarHBondContact O-N 3.38Å; T497-R500 WeakPolarHBondContact OG1-CB 3.27Å; T497-L501 PolarHBondContact O-N 3.49Å
498	P	94.3	Very high	91.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-48.4	-51.4	-173.3	-32.2	35.6	0	0	0	114.7	A447 R500 L501 N502 M526 F531 E534 V535 I538	A447-P498 WeakPolarHBondContact O-CD 3.48Å; P498-R500 VanDerWaalsContact C-N 3.31Å; P498-R500 PolarHBondContact O-N 3.35Å; P498-L501 PolarHBondContact O-N 3.3Å; P498-N502 WeakPolarHBondContact O-CB 3.29Å; P498-N502 PolarHBondContact O-N 3.35Å; P498-M526 HydrophobicContact CG-SD 4.1Å; P498-F531 HydrophobicContact CB-CB 4.14Å; P498-F531 HydrophobicContact CB-CD1 4.37Å; P498-F531 HydrophobicContact CB-CG 4.21Å; P498-F531 HydrophobicContact CG-CB 4.23Å; P498-F531 HydrophobicContact CG-CD2 4.37Å; P498-F531 HydrophobicContact CG-CG 4.29Å; P498-E534 HydrophobicContact CB-CB 4.15Å; P498-V535 HydrophobicContact CB-CG2 3.74Å; P498-V535 HydrophobicContact CG-CG2 3.67Å; P498-I538 HydrophobicContact CB-CD1 4.3Å
499	G	92.9	Very high	91.6	Very high	22 Å²	22	40.3 Å²	40.3	23%	0.227	19%	0.191	C	C	.	.	H	α-helix	trans	-59.3	-37.5	177.9	0	0	0	0	0	114	T497 N502 D503	T497-G499 PolarHBondContact O-N 2.68Å; G499-N502 PolarHBondContact O-N 3.49Å; G499-D503 PolarHBondContact O-N 2.82Å
500	R	91.7	Very high	91.8	Very high	27 Å²	27	35.5 Å²	35.5	10%	0.102	17%	0.168	C	C	.	.	H	α-helix	trans	-77.6	-30.4	179.9	-171.7	61.3	-174.8	136.5	12.3	112.6	L474 T497 P498 D503 V504	L474-R500 HydrophobicContact CB-CG 4.41Å; L474-R500 WeakPolarHBondContact O-CG 3.23Å; T497-R500 PolarHBondContact O-N 3.38Å; T497-R500 WeakPolarHBondContact OG1-CB 3.27Å; P498-R500 VanDerWaalsContact C-N 3.31Å; P498-R500 PolarHBondContact O-N 3.35Å; R500-D503 IonicContact NH1-OD2 2.97Å; R500-D503 PolarHBondContact NH1-OD2 2.73Å; R500-V504 VanDerWaalsContact O-CG2 3.3Å; R500-V504 WeakPolarHBondContact O-CG2 3.37Å; R500-V504 PolarHBondContact O-N 3.42Å
501	L	93.8	Very high	92.2	Very high	1 Å²	1	38 Å²	38	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-67	-44.7	170.1	-74.4	164.4	0	0	0	110.5	I444 M446 L474 V494 T497 P498 V504 L505 M510 I538	I444-L501 HydrophobicContact CG2-CD1 4.04Å; I444-L501 HydrophobicContact CG2-CD2 4.35Å; M446-L501 HydrophobicContact CG-CD1 3.6Å; L474-L501 HydrophobicContact CB-CD2 4.2Å; L474-L501 HydrophobicContact CD1-CD2 3.79Å; V494-L501 HydrophobicContact CG1-CD2 3.78Å; T497-L501 PolarHBondContact O-N 3.49Å; P498-L501 PolarHBondContact O-N 3.3Å; L501-V504 PolarHBondContact O-N 3.08Å; L501-V504 VanDerWaalsContact O-N 3.14Å; L501-L505 VanDerWaalsContact O-CG 3.32Å; L501-L505 WeakPolarHBondContact O-CG 3.43Å; L501-L505 PolarHBondContact O-N 3.37Å; L501-M510 HydrophobicContact CD2-CE 4.2Å; L501-I538 HydrophobicContact CB-CD1 3.82Å; L501-I538 HydrophobicContact CD1-CD1 4.48Å
502	N	93.6	Very high	92.4	Very high	15 Å²	15	37.4 Å²	37.4	8%	0.08	18%	0.177	C	C	.	.	H	α-helix	trans	-61.3	-47.6	177.5	-165.3	52.7	0	0	0	111.9	P498 G499 V504 L505 E506 N537 I538	P498-N502 WeakPolarHBondContact O-CB 3.29Å; P498-N502 PolarHBondContact O-N 3.35Å; G499-N502 PolarHBondContact O-N 3.49Å; N502-V504 PolarHBondContact O-N 3.38Å; N502-V504 VanDerWaalsContact O-N 3.16Å; N502-L505 PolarHBondContact O-N 3.28Å; N502-L505 VanDerWaalsContact O-N 3.15Å; N502-E506 PolarHBondContact ND2-OE1 3.35Å; N502-E506 WeakPolarHBondContact O-CB 3.16Å; N502-E506 WeakPolarHBondContact O-CG 3.46Å; N502-E506 PolarHBondContact O-N 2.74Å; N502-N537 PolarHBondContact OD1-ND2 2.72Å; N502-I538 HydrophobicContact CB-CG1 4.44Å
503	D	91.5	Very high	92.3	Very high	54 Å²	54	41.5 Å²	41.5	29%	0.289	20%	0.199	S	C	.	.	H	α-helix	trans	-46.4	-45.9	170.6	-81.7	-4.3	0	0	0	112.3	G499 R500 N507	G499-D503 PolarHBondContact O-N 2.82Å; R500-D503 IonicContact NH1-OD2 2.97Å; R500-D503 PolarHBondContact NH1-OD2 2.73Å; D503-N507 WeakPolarHBondContact O-CB 3.44Å; D503-N507 PolarHBondContact O-N 2.85Å; D503-N507 PolarHBondContact O-ND2 2.97Å
504	V	91.3	Very high	92	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.012	20%	0.202	C	C	.	.	H	α-helix	trans	-74.9	-33.8	-172.7	163.7	0	0	0	0	111.4	L474 L487 R500 L501 N502 R508 Y509 M510	L474-V504 HydrophobicContact CD1-CB 4.32Å; L474-V504 HydrophobicContact CD1-CG1 3.91Å; L474-V504 HydrophobicContact CD1-CG2 4.26Å; L487-V504 HydrophobicContact CD1-CG1 3.79Å; R500-V504 VanDerWaalsContact O-CG2 3.3Å; R500-V504 WeakPolarHBondContact O-CG2 3.37Å; R500-V504 PolarHBondContact O-N 3.42Å; L501-V504 PolarHBondContact O-N 3.08Å; L501-V504 VanDerWaalsContact O-N 3.14Å; N502-V504 PolarHBondContact O-N 3.38Å; N502-V504 VanDerWaalsContact O-N 3.16Å; V504-R508 PolarHBondContact O-N 3.1Å; V504-Y509 PolarHBondContact O-N 2.75Å; V504-M510 HydrophobicContact CG1-CB 3.59Å; V504-M510 HydrophobicContact CG1-CE 4.21Å
505	L	92.2	Very high	91.9	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.026	20%	0.202	C	C	.	.	H	α-helix	trans	-75.6	-45.3	176.3	-66.7	168.5	0	0	0	112	L501 N502 N507 R508 M510 L512 I538 Y541	L501-L505 VanDerWaalsContact O-CG 3.32Å; L501-L505 WeakPolarHBondContact O-CG 3.43Å; L501-L505 PolarHBondContact O-N 3.37Å; N502-L505 PolarHBondContact O-N 3.28Å; N502-L505 VanDerWaalsContact O-N 3.15Å; L505-N507 VanDerWaalsContact C-N 3.33Å; L505-N507 PolarHBondContact O-N 2.7Å; L505-R508 PolarHBondContact O-N 2.92Å; L505-M510 HydrophobicContact CD2-CE 3.95Å; L505-M510 HydrophobicContact CG-CE 4.38Å; L505-L512 HydrophobicContact CD1-CD1 3.94Å; L505-L512 HydrophobicContact CD2-CD1 3.78Å; L505-L512 HydrophobicContact CD2-CD2 4.05Å; L505-L512 HydrophobicContact CD2-CG 3.61Å; L505-I538 HydrophobicContact CD1-CB 4.49Å; L505-I538 HydrophobicContact CD1-CG1 4.05Å; L505-I538 HydrophobicContact CD1-CG2 4.24Å; L505-Y541 HydrophobicContact CB-CD1 4.21Å; L505-Y541 HydrophobicContact CB-CD2 4.01Å; L505-Y541 HydrophobicContact CB-CE1 4.24Å; L505-Y541 HydrophobicContact CB-CE2 4.04Å; L505-Y541 HydrophobicContact CB-CG 4.11Å; L505-Y541 HydrophobicContact CD1-CD2 3.95Å; L505-Y541 HydrophobicContact CD1-CG 4.21Å
506	E	92.4	Very high	91.7	Very high	100 Å²	100	42.5 Å²	42.5	47%	0.467	20%	0.204	S	C	.	.	H	α-helix	trans	-58.1	-44.5	176.3	-76.7	179.1	-173.9	0	0	111.8	N502 R508 N537 Y541	N502-E506 PolarHBondContact ND2-OE1 3.35Å; N502-E506 WeakPolarHBondContact O-CB 3.16Å; N502-E506 WeakPolarHBondContact O-CG 3.46Å; N502-E506 PolarHBondContact O-N 2.74Å; E506-R508 PolarHBondContact O-N 3.41Å; E506-N537 PolarHBondContact OE1-ND2 2.84Å; E506-Y541 VanDerWaalsContact CG-OH 3.29Å; E506-Y541 WeakPolarHBondContact CG-OH 3.28Å
507	N	89.2	Confident	91.8	Very high	99 Å²	99	42.5 Å²	42.5	53%	0.529	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	1.8	176.7	-69.8	-76.1	0	0	0	113.8	D503 L505 Y509	D503-N507 WeakPolarHBondContact O-CB 3.44Å; D503-N507 PolarHBondContact O-N 2.85Å; D503-N507 PolarHBondContact O-ND2 2.97Å; L505-N507 VanDerWaalsContact C-N 3.33Å; L505-N507 PolarHBondContact O-N 2.7Å; N507-Y509 HydrophobicContact CB-CD2 3.55Å; N507-Y509 HydrophobicContact CB-CE2 3.43Å; N507-Y509 VanDerWaalsContact CB-CE2 3.43Å; N507-Y509 HydrophobicContact CB-CG 4.41Å; N507-Y509 PolarHBondContact O-N 3.06Å
508	R	87.9	Confident	91.9	Very high	212 Å²	212	41.6 Å²	41.6	80%	0.8	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	31.1	-178.9	-53.5	-176.3	-179.9	-165.3	-1.1	114.7	V504 L505 E506 M510	V504-R508 PolarHBondContact O-N 3.1Å; L505-R508 PolarHBondContact O-N 2.92Å; E506-R508 PolarHBondContact O-N 3.41Å; R508-M510 PolarHBondContact O-N 2.93Å
509	Y	87.5	Confident	92	Very high	138 Å²	138	41.6 Å²	41.6	54%	0.541	20%	0.199	S	C	.	.	S	Bend	trans	-72.4	-16.2	169.8	-67.5	-56	0	0	0	112.3	V504 N507	V504-Y509 PolarHBondContact O-N 2.75Å; N507-Y509 HydrophobicContact CB-CD2 3.55Å; N507-Y509 HydrophobicContact CB-CE2 3.43Å; N507-Y509 VanDerWaalsContact CB-CE2 3.43Å; N507-Y509 HydrophobicContact CB-CG 4.41Å; N507-Y509 PolarHBondContact O-N 3.06Å
510	M	89.9	Confident	92.1	Very high	15 Å²	15	40.6 Å²	40.6	7%	0.074	19%	0.188	C	C	.	.	S	Bend	trans	-144.6	149.8	174.3	-173.8	175.6	64	0	0	108.8	P441 L474 L487 V494 L501 V504 L505 R508 L512	P441-M510 HydrophobicContact CG-SD 3.96Å; L474-M510 HydrophobicContact CD1-CE 4.07Å; L474-M510 HydrophobicContact CD1-SD 4.26Å; L487-M510 HydrophobicContact CD1-CB 4.41Å; L487-M510 HydrophobicContact CD2-SD 3.97Å; V494-M510 HydrophobicContact CB-SD 4.34Å; V494-M510 HydrophobicContact CG1-CE 4.25Å; V494-M510 HydrophobicContact CG1-SD 4.07Å; V494-M510 HydrophobicContact CG2-SD 3.87Å; L501-M510 HydrophobicContact CD2-CE 4.2Å; V504-M510 HydrophobicContact CG1-CB 3.59Å; V504-M510 HydrophobicContact CG1-CE 4.21Å; L505-M510 HydrophobicContact CD2-CE 3.95Å; L505-M510 HydrophobicContact CG-CE 4.38Å; R508-M510 PolarHBondContact O-N 2.93Å; M510-L512 HydrophobicContact CE-CD2 3.9Å; M510-L512 HydrophobicContact SD-CD2 4.43Å
511	V	92.2	Very high	92.2	Very high	57 Å²	57	39.4 Å²	39.4	35%	0.345	18%	0.184	S	C	.	.			trans	-119.2	164.2	168.7	-65.2	0	0	0	0	109.3	G440	G440-V511 VanDerWaalsContact CA-O 3.22Å; G440-V511 WeakPolarHBondContact CA-O 3.18Å
512	L	92.9	Very high	92.1	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	19%	0.185	C	C	.	.			trans	-120.8	25	-175.5	-59.1	-179.6	0	0	0	113.3	P441 I444 L505 M510 Q514 C515 L542 P543	P441-L512 HydrophobicContact CG-CD2 4.04Å; I444-L512 HydrophobicContact CD1-CD1 3.46Å; I444-L512 VanDerWaalsContact CD1-CD1 3.46Å; I444-L512 HydrophobicContact CD1-CD2 3.39Å; I444-L512 HydrophobicContact CD1-CG 4.01Å; I444-L512 HydrophobicContact CG1-CD2 4.01Å; L505-L512 HydrophobicContact CD1-CD1 3.94Å; L505-L512 HydrophobicContact CD2-CD1 3.78Å; L505-L512 HydrophobicContact CD2-CD2 4.05Å; L505-L512 HydrophobicContact CD2-CG 3.61Å; M510-L512 HydrophobicContact CE-CD2 3.9Å; M510-L512 HydrophobicContact SD-CD2 4.43Å; L512-Q514 PolarHBondContact O-N 3.39Å; L512-Q514 VanDerWaalsContact O-N 3.14Å; L512-C515 HydrophobicContact CB-CB 4.04Å; L512-C515 WeakPolarHBondContact O-CB 3.42Å; L512-C515 PolarHBondContact O-N 2.96Å; L512-L542 HydrophobicContact CB-CD2 4.04Å; L512-L542 HydrophobicContact CD1-CD2 3.98Å; L512-L542 HydrophobicContact CD1-CG 4.15Å; L512-P543 WeakPolarHBondContact O-CD 3.33Å
513	N	89.9	Confident	92	Very high	104 Å²	104	38.9 Å²	38.9	56%	0.556	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-30	-169.1	-65.3	-8.9	0	0	0	113.1	Q439	Q439-N513 HydrophobicContact CB-CB 4.38Å; Q439-N513 PolarHBondContact O-N 3.33Å; Q439-N513 VanDerWaalsContact O-N 3.16Å
514	Q	89.2	Confident	91.9	Very high	13 Å²	13	36.4 Å²	36.4	6%	0.061	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	12.5	175.8	72.4	176.1	-16.6	0	0	115.2	D436 Q439 G440 Y442 L512 T516	D436-Q514 PolarHBondContact O-NE2 2.84Å; Q439-Q514 HydrophobicContact CB-CB 4.2Å; Q439-Q514 HydrophobicContact CB-CG 3.97Å; Q439-Q514 PolarHBondContact O-N 2.93Å; G440-Q514 PolarHBondContact O-NE2 3.05Å; Y442-Q514 HydrophobicContact CD1-CG 4.08Å; Y442-Q514 VanDerWaalsContact CE1-CD 3.47Å; Y442-Q514 HydrophobicContact CE1-CG 4.2Å; L512-Q514 PolarHBondContact O-N 3.39Å; L512-Q514 VanDerWaalsContact O-N 3.14Å; Q514-T516 PolarHBondContact O-N 3.33Å; Q514-T516 VanDerWaalsContact O-N 3.09Å
515	C	92.9	Very high	91.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.168	C	C	.	.			trans	-70.7	109	179.9	178.5	0	0	0	0	110.6	P441 L512 L542 N546	P441-C515 WeakPolarHBondContact O-CA 3.44Å; P441-C515 PolarHBondContact O-N 3.31Å; L512-C515 HydrophobicContact CB-CB 4.04Å; L512-C515 WeakPolarHBondContact O-CB 3.42Å; L512-C515 PolarHBondContact O-N 2.96Å; C515-L542 HydrophobicContact CB-CD2 3.66Å; C515-N546 PolarHBondContact O-ND2 3.37Å
516	T	91.9	Very high	91.6	Very high	8 Å²	8	36.3 Å²	36.3	5%	0.049	17%	0.167	C	C	.	.			trans	-118.7	6.5	-178.5	60.2	0	0	0	0	112.9	W424 Y442 Q514 K569 R571 Q572	W424-T516 WeakPolarHBondContact CH2-OG1 3.49Å; W424-T516 WeakPolarHBondContact CZ3-OG1 3.44Å; Y442-T516 PolarHBondContact O-N 3.31Å; Q514-T516 PolarHBondContact O-N 3.33Å; Q514-T516 VanDerWaalsContact O-N 3.09Å; T516-K569 VanDerWaalsContact CB-CE 3.45Å; T516-K569 HydrophobicContact CG2-CG 4.38Å; T516-K569 WeakPolarHBondContact OG1-CE 3.44Å; T516-R571 CarbonylContact O-C 3.57Å; T516-R571 VanDerWaalsContact O-CA 3.3Å; T516-R571 WeakPolarHBondContact O-CA 3.5Å; T516-Q572 PolarHBondContact O-N 3.01Å
517	Y	95.6	Very high	91.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	122.6	176.7	-156.5	-86.6	0	0	0	110.5	F417 L421 Y442 A443 I444 V519 Q572 V574	F417-Y517 HydrophobicContact CB-CE1 4.33Å; F417-Y517 PolarHBondContact O-OH 3.18Å; F417-Y517 VanDerWaalsContact O-OH 3.07Å; L421-Y517 HydrophobicContact CB-CD1 4.29Å; L421-Y517 HydrophobicContact CB-CD2 4.41Å; L421-Y517 HydrophobicContact CB-CE1 4.17Å; L421-Y517 HydrophobicContact CB-CE2 4.28Å; L421-Y517 HydrophobicContact CB-CG 4.42Å; L421-Y517 HydrophobicContact CD1-CD1 4.25Å; L421-Y517 HydrophobicContact CD1-CD2 4.23Å; L421-Y517 HydrophobicContact CD1-CG 3.88Å; L421-Y517 HydrophobicContact CD2-CD1 4.13Å; L421-Y517 HydrophobicContact CD2-CE1 4.5Å; L421-Y517 HydrophobicContact CG-CD1 4.46Å; Y442-Y517 PolarHBondContact O-N 3.38Å; A443-Y517 VanDerWaalsContact CA-O 3.23Å; A443-Y517 WeakPolarHBondContact CA-O 3.37Å; A443-Y517 HydrophobicContact CB-CD1 4.43Å; I444-Y517 PolarHBondContact N-O 3.39Å; Y517-V519 HydrophobicContact CD1-CG2 3.79Å; Y517-V519 HydrophobicContact CE1-CG2 3.47Å; Y517-V519 VanDerWaalsContact CE1-CG2 3.47Å; Y517-Q572 WeakPolarHBondContact CA-O 3.01Å; Y517-Q572 HydrophobicContact CD2-CB 3.9Å; Y517-Q572 HydrophobicContact CD2-CG 4.46Å; Y517-Q572 HydrophobicContact CE2-CB 4.11Å; Y517-Q572 HydrophobicContact CE2-CG 4.16Å; Y517-Q572 VanDerWaalsContact CE2-OE1 3.22Å; Y517-V574 HydrophobicContact CE1-CG2 4.44Å
518	I	96.2	Very high	91.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.7	-175.1	-58.2	160	0	0	0	108.2	M446 L542 Q572 T573 V574 Y591	M446-I518 HydrophobicContact CE-CG2 3.6Å; I518-L542 HydrophobicContact CD1-CD1 3.36Å; I518-L542 HydrophobicContact CD1-CD2 4.34Å; I518-L542 HydrophobicContact CD1-CG 4.49Å; I518-L542 HydrophobicContact CG1-CD1 4.15Å; I518-Q572 PolarHBondContact N-O 3.05Å; I518-T573 HydrophobicContact CB-CG2 4.24Å; I518-T573 HydrophobicContact CG2-CG2 4.27Å; I518-T573 WeakPolarHBondContact O-CA 3.3Å; I518-V574 PolarHBondContact O-N 2.98Å; I518-Y591 HydrophobicContact CG2-CD1 4.23Å; I518-Y591 HydrophobicContact CG2-CE1 3.98Å
519	V	97	Very high	91.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.1	174.7	-173.4	0	0	0	0	110.2	F417 I444 I445 M446 Y517 V574 F576	F417-V519 HydrophobicContact CB-CG2 4.2Å; F417-V519 HydrophobicContact CD1-CG1 3.9Å; F417-V519 HydrophobicContact CD2-CG1 4.2Å; F417-V519 HydrophobicContact CD2-CG2 3.8Å; F417-V519 HydrophobicContact CE1-CG1 3.89Å; F417-V519 HydrophobicContact CE2-CG1 4.26Å; F417-V519 HydrophobicContact CE2-CG2 4.31Å; F417-V519 HydrophobicContact CG-CG1 4.02Å; F417-V519 HydrophobicContact CG-CG2 4.04Å; F417-V519 HydrophobicContact CZ-CG1 4.09Å; I444-V519 PolarHBondContact O-N 2.66Å; I445-V519 HydrophobicContact CB-CB 4.23Å; I445-V519 HydrophobicContact CG1-CB 3.97Å; I445-V519 HydrophobicContact CG1-CG2 3.95Å; I445-V519 HydrophobicContact CG2-CB 4.02Å; I445-V519 HydrophobicContact CG2-CG1 4.17Å; M446-V519 PolarHBondContact N-O 2.95Å; Y517-V519 HydrophobicContact CD1-CG2 3.79Å; Y517-V519 HydrophobicContact CE1-CG2 3.47Å; Y517-V519 VanDerWaalsContact CE1-CG2 3.47Å; V519-V574 CarbonylContact C-O 3.52Å; V519-V574 VanDerWaalsContact CA-O 3.28Å; V519-V574 WeakPolarHBondContact CA-O 3.49Å; V519-V574 HydrophobicContact CG2-CB 4.48Å; V519-F576 HydrophobicContact CG1-CD2 4.45Å
520	L	96	Very high	91.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	92.4	170.1	-69.2	165.1	0	0	0	107.6	M446 A523 M526 V535 V574 M575 F576 L587 Y591	M446-L520 HydrophobicContact CB-CD2 4.11Å; M446-L520 HydrophobicContact CE-CD2 3.43Å; M446-L520 VanDerWaalsContact CE-CD2 3.43Å; M446-L520 HydrophobicContact CE-CG 4.05Å; M446-L520 HydrophobicContact SD-CD2 3.8Å; L520-A523 HydrophobicContact CB-CB 4.38Å; L520-M526 HydrophobicContact CD2-CE 4.19Å; L520-M526 HydrophobicContact CD2-SD 3.87Å; L520-V535 HydrophobicContact CD2-CG1 3.72Å; L520-V574 PolarHBondContact N-O 3.43Å; L520-M575 HydrophobicContact CB-CG 4.36Å; L520-M575 HydrophobicContact CD1-CE 3.64Å; L520-F576 PolarHBondContact O-N 3.4Å; L520-L587 HydrophobicContact CD1-CD2 4.26Å; L520-L587 HydrophobicContact CD1-CG 4.45Å; L520-Y591 HydrophobicContact CD1-CD1 4.07Å; L520-Y591 HydrophobicContact CD1-CD2 4.24Å; L520-Y591 HydrophobicContact CD1-CE1 4.35Å; L520-Y591 HydrophobicContact CD1-CG 3.99Å
521	D	94	Very high	91.6	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.011	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	129.6	177.7	-167.1	20.6	0	0	0	111.5	K413 M446 P448 I456 M526 F576	K413-D521 WeakPolarHBondContact CE-OD1 3.44Å; K413-D521 IonicContact NZ-OD1 2.7Å; K413-D521 PolarHBondContact NZ-OD1 2.83Å; K413-D521 IonicContact NZ-OD2 3.06Å; M446-D521 PolarHBondContact O-N 3.41Å; P448-D521 WeakPolarHBondContact CD-O 3.42Å; I456-D521 HydrophobicContact CD1-CB 4.3Å; D521-M526 WeakPolarHBondContact O-CE 3.14Å; D521-F576 VanDerWaalsContact OD1-CB 3.3Å; D521-F576 WeakPolarHBondContact OD1-CB 3.33Å
522	E	89.9	Confident	91.5	Very high	5 Å²	5	22.1 Å²	22.1	2%	0.023	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	50.8	-170.4	-50.8	-166	141.6	0	0	112.9	T409 P448 L452 D524 K525 M526 F576	T409-E522 WeakPolarHBondContact CG2-OE1 3.34Å; P448-E522 HydrophobicContact CG-CB 3.81Å; L452-E522 HydrophobicContact CD2-CB 4.32Å; L452-E522 HydrophobicContact CD2-CG 3.69Å; E522-D524 VanDerWaalsContact C-N 3.27Å; E522-D524 PolarHBondContact O-N 2.67Å; E522-K525 HydrophobicContact CB-CB 4.24Å; E522-K525 HydrophobicContact CB-CD 4.36Å; E522-K525 HydrophobicContact CB-CG 4.38Å; E522-K525 PolarHBondContact O-N 3.29Å; E522-K525 IonicContact OE1-NZ 3.79Å; E522-K525 PolarHBondContact OE1-NZ 2.96Å; E522-K525 WeakPolarHBondContact OE2-CD 3.36Å; E522-K525 WeakPolarHBondContact OE2-CE 3.38Å; E522-K525 IonicContact OE2-NZ 2.69Å; E522-K525 PolarHBondContact OE2-NZ 2.66Å; E522-M526 PolarHBondContact O-N 3.33Å; E522-M526 VanDerWaalsContact O-N 3.08Å; E522-F576 WeakPolarHBondContact CA-O 3.24Å; E522-F576 PolarHBondContact N-O 3.16Å
523	A	92.2	Very high	91.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.1	-35.7	180	0	0	0	0	0	113.2	L520 K525 M526 I527 M575 F576 V584 L587	L520-A523 HydrophobicContact CB-CB 4.38Å; A523-K525 PolarHBondContact O-N 3.11Å; A523-M526 WeakPolarHBondContact O-CB 3.44Å; A523-M526 PolarHBondContact O-N 2.87Å; A523-I527 WeakPolarHBondContact O-CG1 3.37Å; A523-I527 PolarHBondContact O-N 2.81Å; A523-M575 HydrophobicContact CB-CE 4.26Å; A523-M575 HydrophobicContact CB-CG 3.74Å; A523-M575 HydrophobicContact CB-SD 4.04Å; A523-F576 PolarHBondContact N-O 3.06Å; A523-V584 HydrophobicContact CB-CG1 4.42Å; A523-L587 HydrophobicContact CB-CD2 4.4Å
524	D	88.7	Confident	91.7	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.011	14%	0.137	C	C	.	.	H	α-helix	trans	-56.4	-46.5	170.8	47.7	7.4	0	0	0	112.6	E522 M526 I527 D528 T577 A578 T579 V584	E522-D524 VanDerWaalsContact C-N 3.27Å; E522-D524 PolarHBondContact O-N 2.67Å; D524-M526 VanDerWaalsContact C-N 3.33Å; D524-M526 PolarHBondContact O-N 2.98Å; D524-I527 WeakPolarHBondContact O-CB 3.22Å; D524-I527 PolarHBondContact O-N 3.06Å; D524-D528 PolarHBondContact O-N 2.7Å; D524-T577 VanDerWaalsContact CB-OG1 3.27Å; D524-T577 WeakPolarHBondContact CB-OG1 3.43Å; D524-T577 PolarHBondContact N-OG1 3.3Å; D524-T577 PolarHBondContact OD1-OG1 3.1Å; D524-T577 PolarHBondContact OD2-OG1 3.33Å; D524-T577 VanDerWaalsContact OD2-OG1 3.05Å; D524-A578 WeakPolarHBondContact OD2-CA 3.37Å; D524-A578 WeakPolarHBondContact OD2-CB 3.46Å; D524-A578 PolarHBondContact OD2-N 2.99Å; D524-T579 VanDerWaalsContact CB-OG1 3.24Å; D524-T579 WeakPolarHBondContact CB-OG1 3.37Å; D524-T579 PolarHBondContact OD2-N 3.39Å; D524-T579 PolarHBondContact OD2-OG1 2.88Å; D524-V584 HydrophobicContact CB-CG2 4.05Å
525	K	86	Confident	91.9	Very high	5 Å²	5	23.6 Å²	23.6	2%	0.022	13%	0.134	C	C	.	.	H	α-helix	trans	-71.5	-25.3	177.8	-61	-171.6	-145.7	162.8	0	113.8	P448 E522 A523 I527 M529 R697	P448-K525 HydrophobicContact CB-CB 4.22Å; P448-K525 HydrophobicContact CG-CB 3.98Å; E522-K525 HydrophobicContact CB-CB 4.24Å; E522-K525 HydrophobicContact CB-CD 4.36Å; E522-K525 HydrophobicContact CB-CG 4.38Å; E522-K525 PolarHBondContact O-N 3.29Å; E522-K525 IonicContact OE1-NZ 3.79Å; E522-K525 PolarHBondContact OE1-NZ 2.96Å; E522-K525 WeakPolarHBondContact OE2-CD 3.36Å; E522-K525 WeakPolarHBondContact OE2-CE 3.38Å; E522-K525 IonicContact OE2-NZ 2.69Å; E522-K525 PolarHBondContact OE2-NZ 2.66Å; A523-K525 PolarHBondContact O-N 3.11Å; K525-I527 VanDerWaalsContact C-N 3.33Å; K525-M529 WeakPolarHBondContact O-CB 3.37Å; K525-M529 VanDerWaalsContact O-CG 3.27Å; K525-M529 WeakPolarHBondContact O-CG 3.4Å; K525-M529 PolarHBondContact O-N 3.23Å; K525-R697 HydrophobicContact CD-CG 4.42Å
526	M	91.5	Very high	91.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62	-45.1	169.5	-65.1	-175.8	-169.8	0	0	110.4	M446 P448 P498 L520 D521 E522 A523 D524 M529 G530 F531 V535	M446-M526 HydrophobicContact CB-CE 3.64Å; M446-M526 WeakPolarHBondContact O-CE 3.27Å; P448-M526 HydrophobicContact CB-CG 3.82Å; P448-M526 HydrophobicContact CG-CG 4.37Å; P498-M526 HydrophobicContact CG-SD 4.1Å; L520-M526 HydrophobicContact CD2-CE 4.19Å; L520-M526 HydrophobicContact CD2-SD 3.87Å; D521-M526 WeakPolarHBondContact O-CE 3.14Å; E522-M526 PolarHBondContact O-N 3.33Å; E522-M526 VanDerWaalsContact O-N 3.08Å; A523-M526 WeakPolarHBondContact O-CB 3.44Å; A523-M526 PolarHBondContact O-N 2.87Å; D524-M526 VanDerWaalsContact C-N 3.33Å; D524-M526 PolarHBondContact O-N 2.98Å; M526-M529 PolarHBondContact O-N 2.69Å; M526-G530 PolarHBondContact O-N 2.84Å; M526-F531 HydrophobicContact CB-CB 4.34Å; M526-F531 WeakPolarHBondContact O-CB 3.5Å; M526-F531 PolarHBondContact O-N 2.87Å; M526-V535 HydrophobicContact SD-CG2 3.9Å
527	I	91.2	Very high	92	Very high	28 Å²	28	28.2 Å²	28.2	14%	0.144	16%	0.159	C	C	.	.	H	α-helix	trans	-63.9	-47.3	175.6	-59.1	-59.1	0	0	0	111.2	A523 D524 K525 M529 G530 E532 A583 V584 L587	A523-I527 WeakPolarHBondContact O-CG1 3.37Å; A523-I527 PolarHBondContact O-N 2.81Å; D524-I527 WeakPolarHBondContact O-CB 3.22Å; D524-I527 PolarHBondContact O-N 3.06Å; K525-I527 VanDerWaalsContact C-N 3.33Å; I527-M529 PolarHBondContact O-N 3.11Å; I527-G530 WeakPolarHBondContact O-CA 3.49Å; I527-G530 PolarHBondContact O-N 3.29Å; I527-E532 HydrophobicContact CD1-CB 3.66Å; I527-E532 HydrophobicContact CD1-CG 3.76Å; I527-A583 HydrophobicContact CG1-CB 4.4Å; I527-A583 HydrophobicContact CG2-CB 3.64Å; I527-V584 HydrophobicContact CG1-CG2 3.95Å; I527-L587 HydrophobicContact CD1-CD2 4.31Å
528	D	86.9	Confident	91.9	Very high	91 Å²	91	28.2 Å²	28.2	49%	0.487	16%	0.159	S	C	.	.	H	α-helix	trans	-55.1	-37.6	177	-77.5	-3.6	0	0	0	113	D524 G530 R697	D524-D528 PolarHBondContact O-N 2.7Å; D528-G530 PolarHBondContact O-N 3.34Å; D528-R697 IonicContact OD2-CZ 3.33Å; D528-R697 IonicContact OD2-NH1 3.19Å; D528-R697 PolarHBondContact OD2-NH1 2.88Å; D528-R697 IonicContact OD2-NH2 2.73Å; D528-R697 PolarHBondContact OD2-NH2 3.1Å
529	M	86.1	Confident	91.7	Very high	73 Å²	73	29.9 Å²	29.9	36%	0.36	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-1.7	179.4	-69.8	179.4	68.8	0	0	113	P448 T449 K525 M526 I527 F531	P448-M529 HydrophobicContact CB-SD 3.93Å; T449-M529 HydrophobicContact CG2-CE 4.37Å; T449-M529 HydrophobicContact CG2-SD 4.02Å; K525-M529 WeakPolarHBondContact O-CB 3.37Å; K525-M529 VanDerWaalsContact O-CG 3.27Å; K525-M529 WeakPolarHBondContact O-CG 3.4Å; K525-M529 PolarHBondContact O-N 3.23Å; M526-M529 PolarHBondContact O-N 2.69Å; I527-M529 PolarHBondContact O-N 3.11Å; M529-F531 HydrophobicContact CB-CD2 3.75Å; M529-F531 HydrophobicContact CB-CE2 3.74Å; M529-F531 HydrophobicContact CE-CE2 3.75Å; M529-F531 HydrophobicContact CE-CZ 4.24Å; M529-F531 HydrophobicContact SD-CE2 4.2Å
530	G	89.9	Confident	91.5	Very high	44 Å²	44	34.5 Å²	34.5	45%	0.454	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	8.6	178.1	0	0	0	0	0	115.1	M526 I527 D528 E532 P533	M526-G530 PolarHBondContact O-N 2.84Å; I527-G530 WeakPolarHBondContact O-CA 3.49Å; I527-G530 PolarHBondContact O-N 3.29Å; D528-G530 PolarHBondContact O-N 3.34Å; G530-E532 PolarHBondContact O-N 3.3Å; G530-E532 VanDerWaalsContact O-N 3.13Å; G530-P533 WeakPolarHBondContact O-CD 3.46Å
531	F	92.5	Very high	91.4	Very high	39 Å²	39	38.4 Å²	38.4	17%	0.171	21%	0.211	C	C	.	.			trans	-76.9	11.7	-176.1	-63.4	-54.3	0	0	0	115	P448 P498 M526 M529 P533 E534 V535	P448-F531 WeakPolarHBondContact O-CE2 3.49Å; P498-F531 HydrophobicContact CB-CB 4.14Å; P498-F531 HydrophobicContact CB-CD1 4.37Å; P498-F531 HydrophobicContact CB-CG 4.21Å; P498-F531 HydrophobicContact CG-CB 4.23Å; P498-F531 HydrophobicContact CG-CD2 4.37Å; P498-F531 HydrophobicContact CG-CG 4.29Å; M526-F531 HydrophobicContact CB-CB 4.34Å; M526-F531 WeakPolarHBondContact O-CB 3.5Å; M526-F531 PolarHBondContact O-N 2.87Å; M529-F531 HydrophobicContact CB-CD2 3.75Å; M529-F531 HydrophobicContact CB-CE2 3.74Å; M529-F531 HydrophobicContact CE-CE2 3.75Å; M529-F531 HydrophobicContact CE-CZ 4.24Å; M529-F531 HydrophobicContact SD-CE2 4.2Å; F531-P533 VanDerWaalsContact C-CD 3.48Å; F531-P533 VanDerWaalsContact C-N 3.35Å; F531-E534 WeakPolarHBondContact CA-OE2 3.18Å; F531-E534 PolarHBondContact O-N 2.89Å; F531-V535 HydrophobicContact CB-CG2 4.35Å; F531-V535 WeakPolarHBondContact O-CB 3.4Å; F531-V535 VanDerWaalsContact O-CG2 3.26Å; F531-V535 WeakPolarHBondContact O-CG2 3.43Å; F531-V535 PolarHBondContact O-N 3.3Å
532	E	91.3	Very high	91.3	Very high	49 Å²	49	38.7 Å²	38.7	23%	0.229	21%	0.212	C	C	.	.	H	α-helix	trans	-55.1	-42.7	175.6	-167.6	172.6	178.7	0	0	112.1	I527 G530 N536 R586	I527-E532 HydrophobicContact CD1-CB 3.66Å; I527-E532 HydrophobicContact CD1-CG 3.76Å; G530-E532 PolarHBondContact O-N 3.3Å; G530-E532 VanDerWaalsContact O-N 3.13Å; E532-N536 WeakPolarHBondContact O-CB 3.38Å; E532-N536 PolarHBondContact O-N 2.93Å; E532-N536 VanDerWaalsContact O-N 3.14Å; E532-N536 PolarHBondContact O-ND2 3.04Å; E532-R586 VanDerWaalsContact CD-NH2 3.35Å; E532-R586 IonicContact OE1-CZ 3.96Å; E532-R586 IonicContact OE1-NE 2.83Å; E532-R586 PolarHBondContact OE1-NE 3.38Å; E532-R586 IonicContact OE1-NH2 3.05Å; E532-R586 PolarHBondContact OE1-NH2 3.22Å; E532-R586 IonicContact OE2-NH2 2.69Å; E532-R586 PolarHBondContact OE2-NH2 3.23Å
533	P	93.3	Very high	91.3	Very high	88 Å²	88	39.8 Å²	39.8	57%	0.571	22%	0.22	S	C	*	.	H	α-helix	trans	-67	-47.4	176.8	-20	34.4	0	0	0	113.5	G530 F531 V535 N536 N537	G530-P533 WeakPolarHBondContact O-CD 3.46Å; F531-P533 VanDerWaalsContact C-CD 3.48Å; F531-P533 VanDerWaalsContact C-N 3.35Å; P533-V535 PolarHBondContact O-N 2.99Å; P533-N536 PolarHBondContact O-N 3.17Å; P533-N537 PolarHBondContact O-N 3.41Å
534	E	94.1	Very high	91.2	Very high	61 Å²	61	45.6 Å²	45.6	29%	0.285	26%	0.255	S	S	.	.	H	α-helix	trans	-66	-40.4	-176.7	-66.6	87.1	157.9	0	0	111.7	P498 F531 N537 I538	P498-E534 HydrophobicContact CB-CB 4.15Å; F531-E534 WeakPolarHBondContact CA-OE2 3.18Å; F531-E534 PolarHBondContact O-N 2.89Å; E534-N537 PolarHBondContact O-N 2.91Å; E534-I538 WeakPolarHBondContact O-CG1 3.47Å; E534-I538 PolarHBondContact O-N 2.78Å
535	V	93.8	Very high	91.2	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	29%	0.291	C	S	.	.	H	α-helix	trans	-64.4	-48.1	174.5	178.1	0	0	0	0	109.7	M446 P498 L520 M526 F531 P533 N537 I538 L539 L587 Y591	M446-V535 HydrophobicContact SD-CG1 4.4Å; P498-V535 HydrophobicContact CB-CG2 3.74Å; P498-V535 HydrophobicContact CG-CG2 3.67Å; L520-V535 HydrophobicContact CD2-CG1 3.72Å; M526-V535 HydrophobicContact SD-CG2 3.9Å; F531-V535 HydrophobicContact CB-CG2 4.35Å; F531-V535 WeakPolarHBondContact O-CB 3.4Å; F531-V535 VanDerWaalsContact O-CG2 3.26Å; F531-V535 WeakPolarHBondContact O-CG2 3.43Å; F531-V535 PolarHBondContact O-N 3.3Å; P533-V535 PolarHBondContact O-N 2.99Å; V535-N537 PolarHBondContact O-N 3.23Å; V535-I538 WeakPolarHBondContact O-CB 3.46Å; V535-I538 PolarHBondContact O-N 2.97Å; V535-I538 VanDerWaalsContact O-N 3.13Å; V535-L539 PolarHBondContact O-N 2.72Å; V535-L587 HydrophobicContact CB-CD1 4.49Å; V535-L587 HydrophobicContact CG1-CD1 3.78Å; V535-L587 HydrophobicContact CG1-CD2 4.45Å; V535-Y591 HydrophobicContact CG1-CE2 3.65Å; V535-Y591 WeakPolarHBondContact CG1-OH 3.33Å; V535-Y591 PolarHBondContact O-OH 2.95Å
536	N	92.8	Very high	91.4	Very high	53 Å²	53	52.1 Å²	52.1	28%	0.283	30%	0.295	S	S	.	.	H	α-helix	trans	-60.1	-32.2	174.9	-75.7	-50.9	0	0	0	113	E532 P533 L539	E532-N536 WeakPolarHBondContact O-CB 3.38Å; E532-N536 PolarHBondContact O-N 2.93Å; E532-N536 VanDerWaalsContact O-N 3.14Å; E532-N536 PolarHBondContact O-ND2 3.04Å; P533-N536 PolarHBondContact O-N 3.17Å; N536-L539 WeakPolarHBondContact O-CB 3.4Å; N536-L539 PolarHBondContact O-N 2.89Å
537	N	93.8	Very high	91.3	Very high	52 Å²	52	54.5 Å²	54.5	28%	0.278	31%	0.306	S	S	.	.	H	α-helix	trans	-68.2	-42.2	174.8	-157.8	41.3	0	0	0	111.7	N502 E506 P533 E534 V535 L539 T540 Y541	N502-N537 PolarHBondContact OD1-ND2 2.72Å; E506-N537 PolarHBondContact OE1-ND2 2.84Å; P533-N537 PolarHBondContact O-N 3.41Å; E534-N537 PolarHBondContact O-N 2.91Å; V535-N537 PolarHBondContact O-N 3.23Å; N537-L539 PolarHBondContact O-N 2.88Å; N537-T540 WeakPolarHBondContact O-CB 3.14Å; N537-T540 PolarHBondContact O-N 3.36Å; N537-T540 PolarHBondContact O-OG1 3.48Å; N537-Y541 VanDerWaalsContact O-CD2 3.29Å; N537-Y541 WeakPolarHBondContact O-CD2 3.49Å
538	I	93.7	Very high	91.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-55.6	-35.9	174.1	-68.3	164.1	0	0	0	111.3	M446 P498 L501 N502 L505 E534 V535 T540 Y541	M446-I538 HydrophobicContact CE-CG2 4.5Å; M446-I538 HydrophobicContact SD-CD1 3.88Å; M446-I538 HydrophobicContact SD-CG2 4.2Å; P498-I538 HydrophobicContact CB-CD1 4.3Å; L501-I538 HydrophobicContact CB-CD1 3.82Å; L501-I538 HydrophobicContact CD1-CD1 4.48Å; N502-I538 HydrophobicContact CB-CG1 4.44Å; L505-I538 HydrophobicContact CD1-CB 4.49Å; L505-I538 HydrophobicContact CD1-CG1 4.05Å; L505-I538 HydrophobicContact CD1-CG2 4.24Å; E534-I538 WeakPolarHBondContact O-CG1 3.47Å; E534-I538 PolarHBondContact O-N 2.78Å; V535-I538 WeakPolarHBondContact O-CB 3.46Å; V535-I538 PolarHBondContact O-N 2.97Å; V535-I538 VanDerWaalsContact O-N 3.13Å; I538-T540 PolarHBondContact O-N 3.43Å; I538-Y541 PolarHBondContact O-N 3.01Å
539	L	91.8	Very high	91.5	Very high	34 Å²	34	51.3 Å²	51.3	18%	0.178	29%	0.292	C	S	.	.	H	α-helix	trans	-60.4	-31	175.9	-172	57.5	0	0	0	113.3	V535 N536 N537 Y541 L542 Y591	V535-L539 PolarHBondContact O-N 2.72Å; N536-L539 WeakPolarHBondContact O-CB 3.4Å; N536-L539 PolarHBondContact O-N 2.89Å; N537-L539 PolarHBondContact O-N 2.88Å; L539-Y541 VanDerWaalsContact C-N 3.31Å; L539-Y541 PolarHBondContact O-N 3.34Å; L539-L542 HydrophobicContact CD1-CD1 4.03Å; L539-L542 PolarHBondContact O-N 3.34Å; L539-Y591 HydrophobicContact CB-CE1 4.4Å; L539-Y591 HydrophobicContact CB-CE2 3.98Å; L539-Y591 HydrophobicContact CD1-CD1 4.05Å; L539-Y591 HydrophobicContact CD1-CE1 3.86Å; L539-Y591 HydrophobicContact CD1-CE2 4.45Å; L539-Y591 HydrophobicContact CD1-CG 4.45Å; L539-Y591 HydrophobicContact CD2-CD2 4Å; L539-Y591 HydrophobicContact CD2-CE2 3.97Å; L539-Y591 HydrophobicContact CD2-CG 4.43Å; L539-Y591 HydrophobicContact CG-CE2 4.35Å
540	T	92.7	Very high	91.6	Very high	98 Å²	98	53.8 Å²	53.8	60%	0.601	31%	0.307	S	S	*	.	H	α-helix	trans	-71.8	-24	-179.2	73.2	0	0	0	0	113.4	N537 I538 L542	N537-T540 WeakPolarHBondContact O-CB 3.14Å; N537-T540 PolarHBondContact O-N 3.36Å; N537-T540 PolarHBondContact O-OG1 3.48Å; I538-T540 PolarHBondContact O-N 3.43Å; T540-L542 VanDerWaalsContact C-N 3.32Å
541	Y	92.9	Very high	91.6	Very high	82 Å²	82	54.9 Å²	54.9	32%	0.322	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-8.9	177.5	-67.3	-79.9	0	0	0	113.5	L505 E506 N537 I538 L539	L505-Y541 HydrophobicContact CB-CD1 4.21Å; L505-Y541 HydrophobicContact CB-CD2 4.01Å; L505-Y541 HydrophobicContact CB-CE1 4.24Å; L505-Y541 HydrophobicContact CB-CE2 4.04Å; L505-Y541 HydrophobicContact CB-CG 4.11Å; L505-Y541 HydrophobicContact CD1-CD2 3.95Å; L505-Y541 HydrophobicContact CD1-CG 4.21Å; E506-Y541 VanDerWaalsContact CG-OH 3.29Å; E506-Y541 WeakPolarHBondContact CG-OH 3.28Å; N537-Y541 VanDerWaalsContact O-CD2 3.29Å; N537-Y541 WeakPolarHBondContact O-CD2 3.49Å; I538-Y541 PolarHBondContact O-N 3.01Å; L539-Y541 VanDerWaalsContact C-N 3.31Å; L539-Y541 PolarHBondContact O-N 3.34Å
542	L	92.2	Very high	91.3	Very high	7 Å²	7	59.8 Å²	59.8	4%	0.037	33%	0.325	C	S	.	.	S	Bend	trans	-85.6	140.3	179.2	-73.5	163.9	0	0	0	111.1	L512 C515 I518 L539 T540 V544	L512-L542 HydrophobicContact CB-CD2 4.04Å; L512-L542 HydrophobicContact CD1-CD2 3.98Å; L512-L542 HydrophobicContact CD1-CG 4.15Å; C515-L542 HydrophobicContact CB-CD2 3.66Å; I518-L542 HydrophobicContact CD1-CD1 3.36Å; I518-L542 HydrophobicContact CD1-CD2 4.34Å; I518-L542 HydrophobicContact CD1-CG 4.49Å; I518-L542 HydrophobicContact CG1-CD1 4.15Å; L539-L542 HydrophobicContact CD1-CD1 4.03Å; L539-L542 PolarHBondContact O-N 3.34Å; T540-L542 VanDerWaalsContact C-N 3.32Å; L542-V544 PolarHBondContact O-N 3.06Å
543	P	90.7	Very high	91	Very high	29 Å²	29	60 Å²	60	19%	0.188	33%	0.328	C	S	.	.			trans	-56.5	124.2	174.3	-23.6	32.7	0	0	0	111.5	L512 T545 N546 R571	L512-P543 WeakPolarHBondContact O-CD 3.33Å; P543-T545 PolarHBondContact O-N 3.38Å; P543-N546 PolarHBondContact O-OD1 3.05Å; P543-R571 PolarHBondContact O-NH1 3.43Å
544	V	89.6	Confident	90.6	Very high	122 Å²	122	55.8 Å²	55.8	74%	0.739	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-69.8	-22.5	174.4	-63.2	0	0	0	0	112.4	L542 N546 E547	L542-V544 PolarHBondContact O-N 3.06Å; V544-N546 VanDerWaalsContact C-N 3.28Å; V544-N546 PolarHBondContact O-N 3.31Å; V544-E547 WeakPolarHBondContact O-CB 3.39Å; V544-E547 PolarHBondContact O-N 2.76Å
545	T	88.4	Confident	90.1	Very high	125 Å²	125	54 Å²	54	77%	0.767	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-71.1	-18.2	-178.3	50.4	0	0	0	0	114.2	P543	P543-T545 PolarHBondContact O-N 3.38Å
546	N	89.9	Confident	89.7	Confident	18 Å²	18	56.1 Å²	56.1	10%	0.096	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-95	2.2	177.4	77.5	9.1	0	0	0	113.3	C515 P543 V544 Y570 R571	C515-N546 PolarHBondContact O-ND2 3.37Å; P543-N546 PolarHBondContact O-OD1 3.05Å; V544-N546 VanDerWaalsContact C-N 3.28Å; V544-N546 PolarHBondContact O-N 3.31Å; N546-Y570 CarbonylContact O-C 3.5Å; N546-Y570 VanDerWaalsContact O-CA 3.24Å; N546-Y570 WeakPolarHBondContact O-CA 3.47Å; N546-R571 WeakPolarHBondContact O-CG 3.32Å; N546-R571 PolarHBondContact O-N 3.22Å; N546-R571 VanDerWaalsContact OD1-CD 3.26Å; N546-R571 WeakPolarHBondContact OD1-CD 3.34Å; N546-R571 WeakPolarHBondContact OD1-CG 3.49Å; N546-R571 PolarHBondContact OD1-NH1 2.91Å
547	E	90	Very high	89	Confident	50 Å²	50	55.5 Å²	55.5	23%	0.234	30%	0.301	C	S	.	.	S	Bend	trans	-72.2	144.1	177.8	-175.4	157.5	-97.3	0	0	112.6	V544 Y570 R571 R593	V544-E547 WeakPolarHBondContact O-CB 3.39Å; V544-E547 PolarHBondContact O-N 2.76Å; E547-Y570 WeakPolarHBondContact O-CD1 3.09Å; E547-Y570 WeakPolarHBondContact O-CE1 3.37Å; E547-R571 IonicContact OE1-CZ 2.79Å; E547-R571 IonicContact OE1-NE 3.26Å; E547-R571 IonicContact OE1-NH2 3.47Å; E547-R571 PolarHBondContact OE1-NH2 3.41Å; E547-R593 VanDerWaalsContact CD-CZ 3.44Å; E547-R593 VanDerWaalsContact CD-NE 3.29Å; E547-R593 HydrophobicContact CG-CG 4.11Å; E547-R593 IonicContact OE1-CZ 2.68Å; E547-R593 IonicContact OE1-NE 2.72Å; E547-R593 IonicContact OE1-NH2 2.84Å; E547-R593 PolarHBondContact OE1-NH2 2.76Å; E547-R593 IonicContact OE2-CZ 3.48Å; E547-R593 IonicContact OE2-NE 3.62Å; E547-R593 PolarHBondContact OE2-NE 3.29Å; E547-R593 IonicContact OE2-NH2 2.66Å; E547-R593 PolarHBondContact OE2-NH2 3.28Å
548	K	91.7	Very high	88.5	Confident	6 Å²	6	57.3 Å²	57.3	3%	0.026	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-67.6	143.4	175	-67.8	170.8	-177.9	155.9	0	110.6	N400 D402 A554 L560 Y570 R571 R593	N400-K548 WeakPolarHBondContact O-CE 3.36Å; N400-K548 PolarHBondContact O-NZ 3.26Å; N400-K548 VanDerWaalsContact OD1-CE 3.32Å; N400-K548 WeakPolarHBondContact OD1-CE 3.33Å; N400-K548 PolarHBondContact OD1-NZ 2.82Å; D402-K548 IonicContact OD1-NZ 3.18Å; D402-K548 PolarHBondContact OD1-NZ 2.82Å; K548-A554 HydrophobicContact CB-CB 4.38Å; K548-L560 HydrophobicContact CD-CD2 4.33Å; K548-Y570 VanDerWaalsContact CG-CB 3.48Å; K548-Y570 HydrophobicContact CG-CD2 4.46Å; K548-Y570 HydrophobicContact CG-CG 3.98Å; K548-R571 WeakPolarHBondContact CE-O 3.43Å; K548-R571 PolarHBondContact NZ-O 3.48Å; K548-R571 VanDerWaalsContact NZ-O 3.13Å; K548-R593 HydrophobicContact CB-CB 3.91Å; K548-R593 HydrophobicContact CB-CG 4.13Å
549	P	89.6	Confident	87.9	Confident	46 Å²	46	61.7 Å²	61.7	30%	0.299	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-61.5	139.9	171.1	28.3	-35.3	0	0	0	110.5	N551 A554	P549-N551 WeakPolarHBondContact CB-OD1 3.48Å; P549-N551 WeakPolarHBondContact CG-OD1 3.49Å; P549-N551 PolarHBondContact O-N 2.7Å; P549-A554 WeakPolarHBondContact O-CB 3.39Å
550	D	88.7	Confident	87.4	Confident	126 Å²	126	60.4 Å²	60.4	67%	0.674	33%	0.329	S	S	*	.	S	Bend	trans	-84.3	60.6	177.7	-161.7	30.5	0	0	0	111.3
551	N	90.1	Very high	86.8	Confident	67 Å²	67	59.5 Å²	59.5	36%	0.358	32%	0.321	S	S	.	.	S	Bend	trans	-139.7	-177.9	-179.8	71.7	-12.6	0	0	0	110.6	P549 D553 A554 R594	P549-N551 WeakPolarHBondContact CB-OD1 3.48Å; P549-N551 WeakPolarHBondContact CG-OD1 3.49Å; P549-N551 PolarHBondContact O-N 2.7Å; N551-D553 PolarHBondContact ND2-OD2 2.97Å; N551-D553 PolarHBondContact O-N 2.85Å; N551-D553 VanDerWaalsContact O-N 3.1Å; N551-D553 VanDerWaalsContact OD1-CB 3.27Å; N551-D553 WeakPolarHBondContact OD1-CB 3.41Å; N551-D553 PolarHBondContact OD1-N 3.11Å; N551-A554 PolarHBondContact O-N 2.92Å; N551-A554 VanDerWaalsContact O-N 3.15Å; N551-R594 WeakPolarHBondContact O-CD 3.2Å
552	E	86.5	Confident	86	Confident	142 Å²	142	59.4 Å²	59.4	66%	0.664	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-62.2	-21.2	-176.9	-58.2	-165.3	146	0	0	113.9	A554 E555 D556	E552-A554 PolarHBondContact O-N 2.81Å; E552-E555 PolarHBondContact O-N 3.48Å; E552-D556 PolarHBondContact O-N 2.85Å
553	D	85.6	Confident	85	Confident	52 Å²	52	62.1 Å²	62.1	28%	0.278	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-65.4	-21.3	178.6	-55.2	-1.1	0	0	0	112.8	N551 E555 D556 K559	N551-D553 PolarHBondContact ND2-OD2 2.97Å; N551-D553 PolarHBondContact O-N 2.85Å; N551-D553 VanDerWaalsContact O-N 3.1Å; N551-D553 VanDerWaalsContact OD1-CB 3.27Å; N551-D553 WeakPolarHBondContact OD1-CB 3.41Å; N551-D553 PolarHBondContact OD1-N 3.11Å; D553-E555 PolarHBondContact O-N 2.86Å; D553-D556 PolarHBondContact O-N 3.48Å; D553-K559 HydrophobicContact CB-CD 3.58Å; D553-K559 IonicContact OD1-NZ 3.87Å; D553-K559 PolarHBondContact OD1-NZ 3.19Å; D553-K559 WeakPolarHBondContact OD2-CD 3.35Å; D553-K559 IonicContact OD2-NZ 2.73Å; D553-K559 PolarHBondContact OD2-NZ 2.81Å
554	A	84.6	Confident	84.2	Confident	0 Å²	0	61 Å²	61	0%	0	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-72.6	-3.5	170.6	0	0	0	0	0	114.2	K548 P549 N551 E552 R594	K548-A554 HydrophobicContact CB-CB 4.38Å; P549-A554 WeakPolarHBondContact O-CB 3.39Å; N551-A554 PolarHBondContact O-N 2.92Å; N551-A554 VanDerWaalsContact O-N 3.15Å; E552-A554 PolarHBondContact O-N 2.81Å; A554-R594 HydrophobicContact CB-CB 4.26Å; A554-R594 HydrophobicContact CB-CG 4.35Å
555	E	82.5	Confident	83.1	Confident	24 Å²	24	58.3 Å²	58.3	11%	0.112	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-119	1.7	168.5	-61.3	-169.6	145.6	0	0	113.4	G356 R401 E552 D553 D557 R594	G356-E555 WeakPolarHBondContact CA-OE2 3.37Å; G356-E555 PolarHBondContact N-OE1 3.09Å; G356-E555 VanDerWaalsContact N-OE1 3.17Å; G356-E555 PolarHBondContact N-OE2 2.63Å; R401-E555 IonicContact NH2-OE1 3.42Å; E552-E555 PolarHBondContact O-N 3.48Å; D553-E555 PolarHBondContact O-N 2.86Å; E555-D557 PolarHBondContact O-N 2.87Å; E555-R594 HydrophobicContact CG-CB 3.71Å; E555-R594 IonicContact OE2-CZ 2.69Å; E555-R594 IonicContact OE2-NH1 2.71Å; E555-R594 PolarHBondContact OE2-NH1 2.9Å; E555-R594 IonicContact OE2-NH2 3.2Å
556	D	85.4	Confident	82.3	Confident	46 Å²	46	54.9 Å²	54.9	25%	0.246	31%	0.308	C	S	.	.			trans	-89.8	104.2	177.7	-178.2	-4.4	0	0	0	110.7	E552 D553 S558 K559 L560	E552-D556 PolarHBondContact O-N 2.85Å; D553-D556 PolarHBondContact O-N 3.48Å; D556-S558 PolarHBondContact O-N 2.8Å; D556-S558 VanDerWaalsContact O-N 3.12Å; D556-S558 VanDerWaalsContact OD1-CB 3.28Å; D556-S558 WeakPolarHBondContact OD1-CB 3.12Å; D556-S558 PolarHBondContact OD1-N 3.12Å; D556-S558 PolarHBondContact OD1-OG 3.28Å; D556-K559 HydrophobicContact CB-CB 4.26Å; D556-K559 HydrophobicContact CB-CD 4.14Å; D556-K559 HydrophobicContact CB-CG 4.26Å; D556-K559 PolarHBondContact O-N 3.38Å; D556-K559 VanDerWaalsContact O-N 3.11Å; D556-K559 WeakPolarHBondContact OD2-CD 3.44Å; D556-K559 VanDerWaalsContact OD2-CE 3.29Å; D556-K559 WeakPolarHBondContact OD2-CE 3.27Å; D556-K559 WeakPolarHBondContact OD2-CG 3.49Å; D556-L560 WeakPolarHBondContact O-CG 3.47Å; D556-L560 PolarHBondContact O-N 2.94Å
557	D	79.3	Confident	81.4	Confident	40 Å²	40	57.1 Å²	57.1	21%	0.214	32%	0.317	C	S	.	.	H	α-helix	trans	-47.6	-39.9	176.3	-62.8	-18	0	0	0	112.6	Q399 E555 K559 L561	Q399-D557 PolarHBondContact NE2-OD1 2.87Å; Q399-D557 VanDerWaalsContact NE2-OD1 3.12Å; Q399-D557 PolarHBondContact NE2-OD2 2.94Å; Q399-D557 PolarHBondContact OE1-OD1 2.89Å; E555-D557 PolarHBondContact O-N 2.87Å; D557-K559 PolarHBondContact O-N 3.11Å; D557-L561 HydrophobicContact CB-CD1 4.36Å; D557-L561 WeakPolarHBondContact O-CB 3.37Å; D557-L561 WeakPolarHBondContact O-CD1 3.47Å; D557-L561 WeakPolarHBondContact O-CG 3.41Å; D557-L561 PolarHBondContact O-N 3.44Å
558	S	82.4	Confident	80.8	Confident	90 Å²	90	62.2 Å²	62.2	63%	0.629	34%	0.34	S	S	*	.	H	α-helix	trans	-66.4	-41.9	-175.8	-44.2	0	0	0	0	111.3	D556 S562	D556-S558 PolarHBondContact O-N 2.8Å; D556-S558 VanDerWaalsContact O-N 3.12Å; D556-S558 VanDerWaalsContact OD1-CB 3.28Å; D556-S558 WeakPolarHBondContact OD1-CB 3.12Å; D556-S558 PolarHBondContact OD1-N 3.12Å; D556-S558 PolarHBondContact OD1-OG 3.28Å; S558-S562 PolarHBondContact O-N 3.16Å
559	K	81.5	Confident	80.6	Confident	92 Å²	92	62.1 Å²	62.1	40%	0.4	34%	0.34	S	S	.	.	H	α-helix	trans	-73.5	-42.9	179.4	-68	178.5	-174.2	-172.6	0	111.1	D553 D556 D557 S562	D553-K559 HydrophobicContact CB-CD 3.58Å; D553-K559 IonicContact OD1-NZ 3.87Å; D553-K559 PolarHBondContact OD1-NZ 3.19Å; D553-K559 WeakPolarHBondContact OD2-CD 3.35Å; D553-K559 IonicContact OD2-NZ 2.73Å; D553-K559 PolarHBondContact OD2-NZ 2.81Å; D556-K559 HydrophobicContact CB-CB 4.26Å; D556-K559 HydrophobicContact CB-CD 4.14Å; D556-K559 HydrophobicContact CB-CG 4.26Å; D556-K559 PolarHBondContact O-N 3.38Å; D556-K559 VanDerWaalsContact O-N 3.11Å; D556-K559 WeakPolarHBondContact OD2-CD 3.44Å; D556-K559 VanDerWaalsContact OD2-CE 3.29Å; D556-K559 WeakPolarHBondContact OD2-CE 3.27Å; D556-K559 WeakPolarHBondContact OD2-CG 3.49Å; D557-K559 PolarHBondContact O-N 3.11Å; K559-S562 WeakPolarHBondContact O-CB 3.49Å; K559-S562 PolarHBondContact O-N 3.09Å; K559-S562 PolarHBondContact O-OG 3.17Å
560	L	81.6	Confident	80.7	Confident	6 Å²	6	63.9 Å²	63.9	3%	0.031	34%	0.341	C	S	.	.	H	α-helix	trans	-68.9	-39.3	-180	-67.9	172.7	0	0	0	113	Q399 N400 R401 K548 D556 S562 F564	Q399-L560 VanDerWaalsContact O-CB 3.29Å; Q399-L560 WeakPolarHBondContact O-CB 3.27Å; N400-L560 HydrophobicContact CB-CB 4.46Å; R401-L560 HydrophobicContact CG-CD1 3.42Å; R401-L560 VanDerWaalsContact CG-CD1 3.42Å; K548-L560 HydrophobicContact CD-CD2 4.33Å; D556-L560 WeakPolarHBondContact O-CG 3.47Å; D556-L560 PolarHBondContact O-N 2.94Å; L560-S562 VanDerWaalsContact C-N 3.33Å; L560-S562 PolarHBondContact O-N 3.38Å; L560-F564 PolarHBondContact O-N 2.91Å
561	L	80.2	Confident	80.9	Confident	80 Å²	80	58.4 Å²	58.4	42%	0.419	31%	0.311	S	S	.	.	H	α-helix	trans	-69.6	-28.5	178	-73.4	167.2	0	0	0	112.9	D557 N563 F564	D557-L561 HydrophobicContact CB-CD1 4.36Å; D557-L561 WeakPolarHBondContact O-CB 3.37Å; D557-L561 WeakPolarHBondContact O-CD1 3.47Å; D557-L561 WeakPolarHBondContact O-CG 3.41Å; D557-L561 PolarHBondContact O-N 3.44Å; L561-N563 PolarHBondContact O-N 2.78Å; L561-N563 VanDerWaalsContact O-N 3.16Å; L561-F564 HydrophobicContact CD2-CB 4.41Å; L561-F564 HydrophobicContact CD2-CD1 4.42Å; L561-F564 PolarHBondContact O-N 2.86Å
562	S	75.6	Confident	81.1	Confident	80 Å²	80	55.2 Å²	55.2	56%	0.559	29%	0.294	S	S	*	.	H	α-helix	trans	-52.5	-39.7	-178	71.9	0	0	0	0	113.5	S558 K559 L560	S558-S562 PolarHBondContact O-N 3.16Å; K559-S562 WeakPolarHBondContact O-CB 3.49Å; K559-S562 PolarHBondContact O-N 3.09Å; K559-S562 PolarHBondContact O-OG 3.17Å; L560-S562 VanDerWaalsContact C-N 3.33Å; L560-S562 PolarHBondContact O-N 3.38Å
563	N	70.5	Confident	81.6	Confident	63 Å²	63	48.5 Å²	48.5	34%	0.337	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-0.6	178.2	-70.1	-42.3	0	0	0	113.5	L561 A565 T566 K569	L561-N563 PolarHBondContact O-N 2.78Å; L561-N563 VanDerWaalsContact O-N 3.16Å; N563-A565 VanDerWaalsContact C-N 3.27Å; N563-A565 PolarHBondContact O-N 2.61Å; N563-T566 PolarHBondContact O-N 2.77Å; N563-T566 VanDerWaalsContact O-N 3.09Å; N563-T566 PolarHBondContact O-OG1 3.35Å; N563-T566 VanDerWaalsContact O-OG1 3.11Å; N563-K569 WeakPolarHBondContact O-CB 3.42Å
564	F	74.5	Confident	82.1	Confident	7 Å²	7	46.1 Å²	46.1	3%	0.031	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-33.1	-173.9	-177.7	-116.2	0	0	0	113.3	N400 W424 L560 L561 T566 K569	N400-F564 HydrophobicContact CB-CD2 3.62Å; N400-F564 HydrophobicContact CB-CE2 4.04Å; N400-F564 HydrophobicContact CB-CG 4.47Å; W424-F564 HydrophobicContact CB-CE2 4.45Å; W424-F564 HydrophobicContact CB-CZ 4.05Å; W424-F564 HydrophobicContact CG-CE2 4.38Å; W424-F564 HydrophobicContact CG-CZ 4.37Å; W424-F564 PolarHBondContact NE1-O 3.04Å; L560-F564 PolarHBondContact O-N 2.91Å; L561-F564 HydrophobicContact CD2-CB 4.41Å; L561-F564 HydrophobicContact CD2-CD1 4.42Å; L561-F564 PolarHBondContact O-N 2.86Å; F564-T566 VanDerWaalsContact C-N 3.29Å; F564-T566 PolarHBondContact O-N 2.85Å; F564-K569 HydrophobicContact CD2-CD 4.08Å; F564-K569 HydrophobicContact CE2-CD 4.37Å
565	A	66.9	Low	82.7	Confident	64 Å²	64	46.1 Å²	46.1	53%	0.529	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	3.8	178.7	0	0	0	0	0	114.3	N563	N563-A565 VanDerWaalsContact C-N 3.27Å; N563-A565 PolarHBondContact O-N 2.61Å
566	T	71.9	Confident	83.2	Confident	54 Å²	54	45 Å²	45	33%	0.331	25%	0.245	S	C	.	.	S	Bend	trans	-112.9	160.9	179.4	76.6	0	0	0	0	111.5	N563 F564 H568 K569	N563-T566 PolarHBondContact O-N 2.77Å; N563-T566 VanDerWaalsContact O-N 3.09Å; N563-T566 PolarHBondContact O-OG1 3.35Å; N563-T566 VanDerWaalsContact O-OG1 3.11Å; F564-T566 VanDerWaalsContact C-N 3.29Å; F564-T566 PolarHBondContact O-N 2.85Å; T566-H568 PolarHBondContact O-N 3.4Å; T566-H568 PolarHBondContact OG1-N 2.99Å; T566-K569 PolarHBondContact O-N 3.31Å
567	K	71.1	Confident	83.5	Confident	64 Å²	64	42.8 Å²	42.8	28%	0.278	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.4	170.7	-173.6	176.4	175.7	-176.4	0	112.6	D436 K569	D436-K567 IonicContact OD1-NZ 3.05Å; D436-K567 PolarHBondContact OD1-NZ 2.93Å; D436-K567 WeakPolarHBondContact OD2-CE 3.24Å; D436-K567 IonicContact OD2-NZ 3.88Å; D436-K567 PolarHBondContact OD2-NZ 2.86Å; K567-K569 VanDerWaalsContact C-N 3.31Å; K567-K569 PolarHBondContact O-N 3.24Å
568	H	77	Confident	83.6	Confident	158 Å²	158	42 Å²	42	73%	0.731	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	18.7	-178.4	-55.6	-60.1	0	0	0	114.2	T566	T566-H568 PolarHBondContact O-N 3.4Å; T566-H568 PolarHBondContact OG1-N 2.99Å
569	K	87.3	Confident	83.6	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.017	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-59.5	147.6	171.9	76.8	164.4	-176.3	-173.3	0	111.2	W424 T516 N563 F564 T566 K567	W424-K569 HydrophobicContact CD2-CD 4.21Å; W424-K569 VanDerWaalsContact CE3-NZ 3.34Å; W424-K569 HydrophobicContact CG-CD 4.48Å; W424-K569 HydrophobicContact CZ2-CD 3.89Å; W424-K569 VanDerWaalsContact CZ2-CE 3.46Å; W424-K569 HydrophobicContact CZ2-CG 4.06Å; T516-K569 VanDerWaalsContact CB-CE 3.45Å; T516-K569 HydrophobicContact CG2-CG 4.38Å; T516-K569 WeakPolarHBondContact OG1-CE 3.44Å; N563-K569 WeakPolarHBondContact O-CB 3.42Å; F564-K569 HydrophobicContact CD2-CD 4.08Å; F564-K569 HydrophobicContact CE2-CD 4.37Å; T566-K569 PolarHBondContact O-N 3.31Å; K567-K569 VanDerWaalsContact C-N 3.31Å; K567-K569 PolarHBondContact O-N 3.24Å
570	Y	91.6	Very high	83.8	Confident	82 Å²	82	38 Å²	38	32%	0.322	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-63.2	148	164.8	-61.9	-69	0	0	0	111	N400 N546 E547 K548	N400-Y570 PolarHBondContact ND2-O 3.07Å; N400-Y570 PolarHBondContact OD1-O 3.22Å; N546-Y570 CarbonylContact O-C 3.5Å; N546-Y570 VanDerWaalsContact O-CA 3.24Å; N546-Y570 WeakPolarHBondContact O-CA 3.47Å; E547-Y570 WeakPolarHBondContact O-CD1 3.09Å; E547-Y570 WeakPolarHBondContact O-CE1 3.37Å; K548-Y570 VanDerWaalsContact CG-CB 3.48Å; K548-Y570 HydrophobicContact CG-CD2 4.46Å; K548-Y570 HydrophobicContact CG-CG 3.98Å
571	R	92.9	Very high	84	Confident	11 Å²	11	40 Å²	40	4%	0.042	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-61.6	142.9	175.5	66.6	171.4	171.6	-138.5	18.1	111.1	T516 P543 N546 E547 K548	T516-R571 CarbonylContact O-C 3.57Å; T516-R571 VanDerWaalsContact O-CA 3.3Å; T516-R571 WeakPolarHBondContact O-CA 3.5Å; P543-R571 PolarHBondContact O-NH1 3.43Å; N546-R571 WeakPolarHBondContact O-CG 3.32Å; N546-R571 PolarHBondContact O-N 3.22Å; N546-R571 VanDerWaalsContact OD1-CD 3.26Å; N546-R571 WeakPolarHBondContact OD1-CD 3.34Å; N546-R571 WeakPolarHBondContact OD1-CG 3.49Å; N546-R571 PolarHBondContact OD1-NH1 2.91Å; E547-R571 IonicContact OE1-CZ 2.79Å; E547-R571 IonicContact OE1-NE 3.26Å; E547-R571 IonicContact OE1-NH2 3.47Å; E547-R571 PolarHBondContact OE1-NH2 3.41Å; K548-R571 WeakPolarHBondContact CE-O 3.43Å; K548-R571 PolarHBondContact NZ-O 3.48Å; K548-R571 VanDerWaalsContact NZ-O 3.13Å
572	Q	93.8	Very high	84.4	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.4	173.5	-164.5	166.6	14	0	0	109.8	G397 N400 R401 D402 T516 Y517 I518 V574	G397-Q572 PolarHBondContact O-NE2 3.16Å; G397-Q572 PolarHBondContact O-OE1 2.91Å; N400-Q572 WeakPolarHBondContact OD1-CB 3.13Å; R401-Q572 PolarHBondContact O-NE2 3.19Å; D402-Q572 WeakPolarHBondContact OD1-CA 3.21Å; T516-Q572 PolarHBondContact O-N 3.01Å; Y517-Q572 WeakPolarHBondContact CA-O 3.01Å; Y517-Q572 HydrophobicContact CD2-CB 3.9Å; Y517-Q572 HydrophobicContact CD2-CG 4.46Å; Y517-Q572 HydrophobicContact CE2-CB 4.11Å; Y517-Q572 HydrophobicContact CE2-CG 4.16Å; Y517-Q572 VanDerWaalsContact CE2-OE1 3.22Å; I518-Q572 PolarHBondContact N-O 3.05Å; Q572-V574 HydrophobicContact CG-CG2 4.49Å
573	T	96.3	Very high	85.2	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.1	174.3	-52.9	0	0	0	0	110.5	D402 I403 I518 Y591 L592	D402-T573 WeakPolarHBondContact CA-O 3.37Å; D402-T573 WeakPolarHBondContact CB-O 3.36Å; D402-T573 PolarHBondContact OD1-N 2.78Å; I403-T573 PolarHBondContact N-O 3.18Å; I403-T573 VanDerWaalsContact N-O 3.08Å; I518-T573 HydrophobicContact CB-CG2 4.24Å; I518-T573 HydrophobicContact CG2-CG2 4.27Å; I518-T573 WeakPolarHBondContact O-CA 3.3Å; T573-Y591 WeakPolarHBondContact CB-O 3.45Å; T573-Y591 HydrophobicContact CG2-CD1 4.06Å; T573-Y591 PolarHBondContact OG1-O 2.94Å; T573-L592 HydrophobicContact CG2-CD1 4.11Å; T573-L592 HydrophobicContact CG2-CD2 4.48Å; T573-L592 HydrophobicContact CG2-CG 3.84Å
574	V	97	Very high	86.2	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	118.9	176.9	-179.9	0	0	0	0	109.2	I403 F417 Y517 I518 V519 L520 Q572 F576	I403-V574 HydrophobicContact CB-CG1 4.09Å; I403-V574 HydrophobicContact CB-CG2 4.22Å; I403-V574 HydrophobicContact CD1-CG2 4.32Å; I403-V574 HydrophobicContact CG1-CG2 4.44Å; I403-V574 HydrophobicContact CG2-CG1 4.41Å; I403-V574 WeakPolarHBondContact O-CA 3.41Å; F417-V574 HydrophobicContact CB-CG1 4.37Å; Y517-V574 HydrophobicContact CE1-CG2 4.44Å; I518-V574 PolarHBondContact O-N 2.98Å; V519-V574 CarbonylContact C-O 3.52Å; V519-V574 VanDerWaalsContact CA-O 3.28Å; V519-V574 WeakPolarHBondContact CA-O 3.49Å; V519-V574 HydrophobicContact CG2-CB 4.48Å; L520-V574 PolarHBondContact N-O 3.43Å; Q572-V574 HydrophobicContact CG-CG2 4.49Å; V574-F576 HydrophobicContact CG1-CD2 3.8Å; V574-F576 HydrophobicContact CG1-CE2 3.19Å; V574-F576 HydrophobicContact CG1-CZ 3.78Å
575	M	96.4	Very high	87.1	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.4	176	-179.5	179.7	-77.3	0	0	109.6	I403 I404 G405 L520 A523 V584 L587 A588 L592	I403-M575 PolarHBondContact O-N 2.95Å; I404-M575 CarbonylContact C-O 3.58Å; I404-M575 WeakPolarHBondContact CA-O 3.26Å; I404-M575 HydrophobicContact CG1-CB 4.5Å; G405-M575 PolarHBondContact N-O 2.92Å; L520-M575 HydrophobicContact CB-CG 4.36Å; L520-M575 HydrophobicContact CD1-CE 3.64Å; A523-M575 HydrophobicContact CB-CE 4.26Å; A523-M575 HydrophobicContact CB-CG 3.74Å; A523-M575 HydrophobicContact CB-SD 4.04Å; M575-V584 HydrophobicContact SD-CG1 3.75Å; M575-L587 HydrophobicContact CE-CB 4.22Å; M575-L587 HydrophobicContact CE-CD2 3.86Å; M575-L587 HydrophobicContact CE-CG 3.82Å; M575-A588 HydrophobicContact CE-CB 3.99Å; M575-A588 HydrophobicContact SD-CB 3.92Å; M575-L592 HydrophobicContact CB-CD1 4.25Å; M575-L592 HydrophobicContact CB-CD2 4.28Å; M575-L592 HydrophobicContact CE-CD1 3.98Å
576	F	94.3	Very high	88.3	Confident	1 Å²	1	40.6 Å²	40.6	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	138.9	169.3	-71.4	-80.3	0	0	0	111.2	I389 G405 K413 A416 F417 V519 L520 D521 E522 A523 V574	I389-F576 HydrophobicContact CD1-CE1 4.02Å; I389-F576 HydrophobicContact CG1-CE1 3.71Å; G405-F576 WeakPolarHBondContact O-CA 3.25Å; G405-F576 WeakPolarHBondContact O-CD1 3.37Å; K413-F576 HydrophobicContact CB-CD1 4.15Å; K413-F576 HydrophobicContact CB-CE1 4.27Å; K413-F576 HydrophobicContact CB-CG 4.32Å; K413-F576 HydrophobicContact CD-CB 3.76Å; K413-F576 HydrophobicContact CD-CD1 3.61Å; K413-F576 HydrophobicContact CD-CE1 4.43Å; K413-F576 HydrophobicContact CD-CG 3.8Å; K413-F576 HydrophobicContact CG-CD1 3.85Å; K413-F576 HydrophobicContact CG-CE1 4.19Å; K413-F576 HydrophobicContact CG-CG 4.32Å; A416-F576 HydrophobicContact CB-CZ 4.43Å; F417-F576 HydrophobicContact CB-CE2 4.06Å; F417-F576 AromaticContact CD1-CD2 3.97Å; F417-F576 HydrophobicContact CD1-CD2 3.97Å; F417-F576 AromaticContact CD1-CE2 3.47Å; F417-F576 HydrophobicContact CD1-CE2 3.47Å; F417-F576 VanDerWaalsContact CD1-CE2 3.47Å; F417-F576 HydrophobicContact CD1-CZ 4.34Å; F417-F576 HydrophobicContact CE1-CD2 4.44Å; F417-F576 HydrophobicContact CE1-CE2 4.34Å; F417-F576 HydrophobicContact CG-CE2 4.21Å; V519-F576 HydrophobicContact CG1-CD2 4.45Å; L520-F576 PolarHBondContact O-N 3.4Å; D521-F576 VanDerWaalsContact OD1-CB 3.3Å; D521-F576 WeakPolarHBondContact OD1-CB 3.33Å; E522-F576 WeakPolarHBondContact CA-O 3.24Å; E522-F576 PolarHBondContact N-O 3.16Å; A523-F576 PolarHBondContact N-O 3.06Å; V574-F576 HydrophobicContact CG1-CD2 3.8Å; V574-F576 HydrophobicContact CG1-CE2 3.19Å; V574-F576 HydrophobicContact CG1-CZ 3.78Å
577	T	90.8	Very high	89.3	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	156.3	-175.5	-169.1	0	0	0	0	109.9	G405 V406 A407 D524 T579 M580 V584	G405-T577 PolarHBondContact O-N 3.32Å; G405-T577 VanDerWaalsContact O-N 3.12Å; V406-T577 VanDerWaalsContact CA-O 3.32Å; V406-T577 WeakPolarHBondContact CA-O 3.3Å; V406-T577 HydrophobicContact CG2-CG2 4.12Å; A407-T577 PolarHBondContact N-O 3.23Å; A407-T577 VanDerWaalsContact N-O 3.1Å; D524-T577 VanDerWaalsContact CB-OG1 3.27Å; D524-T577 WeakPolarHBondContact CB-OG1 3.43Å; D524-T577 PolarHBondContact N-OG1 3.3Å; D524-T577 PolarHBondContact OD1-OG1 3.1Å; D524-T577 PolarHBondContact OD2-OG1 3.33Å; D524-T577 VanDerWaalsContact OD2-OG1 3.05Å; T577-T579 WeakPolarHBondContact CB-O 3.33Å; T577-T579 WeakPolarHBondContact CG2-O 3.5Å; T577-T579 PolarHBondContact OG1-N 2.98Å; T577-T579 PolarHBondContact OG1-O 2.58Å; T577-M580 HydrophobicContact CG2-CG 4.35Å; T577-M580 HydrophobicContact CG2-SD 3.58Å; T577-M580 VanDerWaalsContact CG2-SD 3.58Å; T577-V584 HydrophobicContact CG2-CG1 4.46Å
578	A	82.8	Confident	90.4	Very high	22 Å²	22	35.4 Å²	35.4	18%	0.182	18%	0.18	C	C	.	.	S	Bend	trans	-88.4	-29.3	169	0	0	0	0	0	111	D524	D524-A578 WeakPolarHBondContact OD2-CA 3.37Å; D524-A578 WeakPolarHBondContact OD2-CB 3.46Å; D524-A578 PolarHBondContact OD2-N 2.99Å
579	T	81.5	Confident	91.1	Very high	45 Å²	45	36 Å²	36	28%	0.276	18%	0.176	S	C	.	.			trans	-130	158.5	-174.4	61.6	0	0	0	0	112.1	D524 T577 P581	D524-T579 VanDerWaalsContact CB-OG1 3.24Å; D524-T579 WeakPolarHBondContact CB-OG1 3.37Å; D524-T579 PolarHBondContact OD2-N 3.39Å; D524-T579 PolarHBondContact OD2-OG1 2.88Å; T577-T579 WeakPolarHBondContact CB-O 3.33Å; T577-T579 WeakPolarHBondContact CG2-O 3.5Å; T577-T579 PolarHBondContact OG1-N 2.98Å; T577-T579 PolarHBondContact OG1-O 2.58Å; T579-P581 WeakPolarHBondContact O-CD 3.2Å
580	M	85.9	Confident	91.3	Very high	55 Å²	55	38 Å²	38	27%	0.271	19%	0.191	S	C	.	.			trans	-121.2	65.3	176.3	-69.1	-66.5	-62.9	0	0	111	I404 V406 T577 V584 E585	I404-M580 HydrophobicContact CD1-CE 4.39Å; I404-M580 HydrophobicContact CG2-CE 4.3Å; I404-M580 HydrophobicContact CG2-SD 3.89Å; V406-M580 HydrophobicContact CG2-CG 4.05Å; V406-M580 HydrophobicContact CG2-SD 4.31Å; T577-M580 HydrophobicContact CG2-CG 4.35Å; T577-M580 HydrophobicContact CG2-SD 3.58Å; T577-M580 VanDerWaalsContact CG2-SD 3.58Å; M580-V584 HydrophobicContact CE-CG1 4.44Å; M580-V584 HydrophobicContact SD-CG1 4Å; M580-E585 HydrophobicContact CE-CG 4.06Å
581	P	85.5	Confident	91.4	Very high	47 Å²	47	34.1 Å²	34.1	31%	0.305	18%	0.176	S	C	.	.			trans	-68.2	158.4	171.2	30.9	-36.1	0	0	0	110.6	T579 A583 V584 E585	T579-P581 WeakPolarHBondContact O-CD 3.2Å; P581-A583 PolarHBondContact O-N 2.9Å; P581-V584 HydrophobicContact CG-CB 4.09Å; P581-V584 HydrophobicContact CG-CG2 3.68Å; P581-V584 PolarHBondContact O-N 3.49Å; P581-E585 PolarHBondContact O-N 2.83Å; P581-E585 VanDerWaalsContact O-N 3.09Å
582	P	89.8	Confident	91.4	Very high	94 Å²	94	33.9 Å²	33.9	61%	0.61	18%	0.175	S	C	*	.	H	α-helix	trans	-55.9	-24	-177.5	-28.5	35.9	0	0	0	115.2	R586	P582-R586 WeakPolarHBondContact O-CG 3.45Å; P582-R586 PolarHBondContact O-N 3.04Å
583	A	91.7	Very high	91.4	Very high	15 Å²	15	35.7 Å²	35.7	12%	0.124	18%	0.182	C	C	.	.	H	α-helix	trans	-72.4	-41	174.5	0	0	0	0	0	113.1	I527 P581 E585 R586 L587	I527-A583 HydrophobicContact CG1-CB 4.4Å; I527-A583 HydrophobicContact CG2-CB 3.64Å; P581-A583 PolarHBondContact O-N 2.9Å; A583-E585 VanDerWaalsContact C-N 3.3Å; A583-R586 PolarHBondContact O-N 3.06Å; A583-L587 PolarHBondContact O-N 3.05Å
584	V	92.2	Very high	91.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.2	-35.9	171.6	174.2	0	0	0	0	110.4	A523 D524 I527 M575 T577 M580 P581 L587 A588	A523-V584 HydrophobicContact CB-CG1 4.42Å; D524-V584 HydrophobicContact CB-CG2 4.05Å; I527-V584 HydrophobicContact CG1-CG2 3.95Å; M575-V584 HydrophobicContact SD-CG1 3.75Å; T577-V584 HydrophobicContact CG2-CG1 4.46Å; M580-V584 HydrophobicContact CE-CG1 4.44Å; M580-V584 HydrophobicContact SD-CG1 4Å; P581-V584 HydrophobicContact CG-CB 4.09Å; P581-V584 HydrophobicContact CG-CG2 3.68Å; P581-V584 PolarHBondContact O-N 3.49Å; V584-L587 PolarHBondContact O-N 2.8Å; V584-A588 VanDerWaalsContact O-CB 3.3Å; V584-A588 WeakPolarHBondContact O-CB 3.46Å; V584-A588 PolarHBondContact O-N 2.99Å
585	E	92.1	Very high	91	Very high	77 Å²	77	40.8 Å²	40.8	36%	0.36	21%	0.205	S	C	.	.	H	α-helix	trans	-62.6	-40.3	171.7	-67.8	-167.2	176.2	0	0	113.2	M580 P581 A583 A588 R589	M580-E585 HydrophobicContact CE-CG 4.06Å; P581-E585 PolarHBondContact O-N 2.83Å; P581-E585 VanDerWaalsContact O-N 3.09Å; A583-E585 VanDerWaalsContact C-N 3.3Å; E585-A588 PolarHBondContact O-N 2.83Å; E585-R589 WeakPolarHBondContact O-CG 3.29Å; E585-R589 PolarHBondContact O-N 3.03Å; E585-R589 IonicContact OE2-NH2 3.38Å; E585-R589 PolarHBondContact OE2-NH2 3.16Å
586	R	93.2	Very high	91	Very high	120 Å²	120	40.8 Å²	40.8	45%	0.453	21%	0.205	S	C	.	.	H	α-helix	trans	-61.5	-49.9	173.7	-73.3	-170.1	-50.1	-94.2	4.1	110.7	E532 P582 A583 A588 R589 S590	E532-R586 VanDerWaalsContact CD-NH2 3.35Å; E532-R586 IonicContact OE1-CZ 3.96Å; E532-R586 IonicContact OE1-NE 2.83Å; E532-R586 PolarHBondContact OE1-NE 3.38Å; E532-R586 IonicContact OE1-NH2 3.05Å; E532-R586 PolarHBondContact OE1-NH2 3.22Å; E532-R586 IonicContact OE2-NH2 2.69Å; E532-R586 PolarHBondContact OE2-NH2 3.23Å; P582-R586 WeakPolarHBondContact O-CG 3.45Å; P582-R586 PolarHBondContact O-N 3.04Å; A583-R586 PolarHBondContact O-N 3.06Å; R586-A588 PolarHBondContact O-N 2.96Å; R586-R589 PolarHBondContact O-N 3.3Å; R586-R589 VanDerWaalsContact O-N 3.12Å; R586-S590 PolarHBondContact O-N 3.39Å; R586-S590 VanDerWaalsContact O-N 3.12Å; R586-S590 PolarHBondContact O-OG 2.93Å
587	L	92.4	Very high	91	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-56.1	-42.3	177.5	-174.9	67	0	0	0	111	L520 A523 I527 V535 M575 A583 V584 R589 S590 Y591	L520-L587 HydrophobicContact CD1-CD2 4.26Å; L520-L587 HydrophobicContact CD1-CG 4.45Å; A523-L587 HydrophobicContact CB-CD2 4.4Å; I527-L587 HydrophobicContact CD1-CD2 4.31Å; V535-L587 HydrophobicContact CB-CD1 4.49Å; V535-L587 HydrophobicContact CG1-CD1 3.78Å; V535-L587 HydrophobicContact CG1-CD2 4.45Å; M575-L587 HydrophobicContact CE-CB 4.22Å; M575-L587 HydrophobicContact CE-CD2 3.86Å; M575-L587 HydrophobicContact CE-CG 3.82Å; A583-L587 PolarHBondContact O-N 3.05Å; V584-L587 PolarHBondContact O-N 2.8Å; L587-R589 PolarHBondContact O-N 2.87Å; L587-S590 PolarHBondContact O-N 2.93Å; L587-Y591 HydrophobicContact CD1-CD2 3.71Å; L587-Y591 HydrophobicContact CD1-CE2 3.76Å; L587-Y591 HydrophobicContact CG-CD2 4.26Å; L587-Y591 WeakPolarHBondContact O-CB 3.27Å; L587-Y591 PolarHBondContact O-N 3.03Å; L587-Y591 VanDerWaalsContact O-N 3.11Å
588	A	93.4	Very high	91.1	Very high	8 Å²	8	43.3 Å²	43.3	7%	0.066	22%	0.217	C	C	.	.	H	α-helix	trans	-63.7	-39.3	178.4	0	0	0	0	0	113	I404 M575 V584 E585 R586 Y591 L592	I404-A588 HydrophobicContact CD1-CB 4.02Å; M575-A588 HydrophobicContact CE-CB 3.99Å; M575-A588 HydrophobicContact SD-CB 3.92Å; V584-A588 VanDerWaalsContact O-CB 3.3Å; V584-A588 WeakPolarHBondContact O-CB 3.46Å; V584-A588 PolarHBondContact O-N 2.99Å; E585-A588 PolarHBondContact O-N 2.83Å; R586-A588 PolarHBondContact O-N 2.96Å; A588-Y591 PolarHBondContact O-N 3.45Å; A588-L592 HydrophobicContact CB-CD1 4Å; A588-L592 WeakPolarHBondContact O-CB 3.43Å; A588-L592 VanDerWaalsContact O-CD1 3.25Å; A588-L592 WeakPolarHBondContact O-CD1 3.48Å; A588-L592 PolarHBondContact O-N 2.84Å
589	R	92.4	Very high	91.5	Very high	170 Å²	170	44.2 Å²	44.2	64%	0.642	22%	0.216	S	C	*	.	H	α-helix	trans	-66.7	-35.7	175.8	-68	172.4	-154.1	173.6	8.6	112.2	E585 R586 L587 R593	E585-R589 WeakPolarHBondContact O-CG 3.29Å; E585-R589 PolarHBondContact O-N 3.03Å; E585-R589 IonicContact OE2-NH2 3.38Å; E585-R589 PolarHBondContact OE2-NH2 3.16Å; R586-R589 PolarHBondContact O-N 3.3Å; R586-R589 VanDerWaalsContact O-N 3.12Å; L587-R589 PolarHBondContact O-N 2.87Å; R589-R593 PolarHBondContact O-NH1 2.73Å
590	S	91.6	Very high	91.8	Very high	47 Å²	47	43.5 Å²	43.5	33%	0.329	21%	0.21	S	C	.	.	H	α-helix	trans	-64.2	-47.1	174.7	-57.2	0	0	0	0	111.6	R586 L587 R593	R586-S590 PolarHBondContact O-N 3.39Å; R586-S590 VanDerWaalsContact O-N 3.12Å; R586-S590 PolarHBondContact O-OG 2.93Å; L587-S590 PolarHBondContact O-N 2.93Å; S590-R593 PolarHBondContact O-NH1 3.47Å; S590-R593 PolarHBondContact O-NH2 3.48Å
591	Y	92.5	Very high	91.4	Very high	1 Å²	1	42.4 Å²	42.4	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-92.6	-27	-164.9	-99.1	-88.5	0	0	0	117	M446 I518 L520 V535 L539 T573 L587 A588	M446-Y591 HydrophobicContact CE-CE1 4.26Å; I518-Y591 HydrophobicContact CG2-CD1 4.23Å; I518-Y591 HydrophobicContact CG2-CE1 3.98Å; L520-Y591 HydrophobicContact CD1-CD1 4.07Å; L520-Y591 HydrophobicContact CD1-CD2 4.24Å; L520-Y591 HydrophobicContact CD1-CE1 4.35Å; L520-Y591 HydrophobicContact CD1-CG 3.99Å; V535-Y591 HydrophobicContact CG1-CE2 3.65Å; V535-Y591 WeakPolarHBondContact CG1-OH 3.33Å; V535-Y591 PolarHBondContact O-OH 2.95Å; L539-Y591 HydrophobicContact CB-CE1 4.4Å; L539-Y591 HydrophobicContact CB-CE2 3.98Å; L539-Y591 HydrophobicContact CD1-CD1 4.05Å; L539-Y591 HydrophobicContact CD1-CE1 3.86Å; L539-Y591 HydrophobicContact CD1-CE2 4.45Å; L539-Y591 HydrophobicContact CD1-CG 4.45Å; L539-Y591 HydrophobicContact CD2-CD2 4Å; L539-Y591 HydrophobicContact CD2-CE2 3.97Å; L539-Y591 HydrophobicContact CD2-CG 4.43Å; L539-Y591 HydrophobicContact CG-CE2 4.35Å; T573-Y591 WeakPolarHBondContact CB-O 3.45Å; T573-Y591 HydrophobicContact CG2-CD1 4.06Å; T573-Y591 PolarHBondContact OG1-O 2.94Å; L587-Y591 HydrophobicContact CD1-CD2 3.71Å; L587-Y591 HydrophobicContact CD1-CE2 3.76Å; L587-Y591 HydrophobicContact CG-CD2 4.26Å; L587-Y591 WeakPolarHBondContact O-CB 3.27Å; L587-Y591 PolarHBondContact O-N 3.03Å; L587-Y591 VanDerWaalsContact O-N 3.11Å; A588-Y591 PolarHBondContact O-N 3.45Å
592	L	93.9	Very high	90.3	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.031	22%	0.219	C	C	.	.			trans	-116.8	151.6	-171.3	-60.5	89.7	0	0	0	111	D402 I403 I404 T573 M575 A588 P595	D402-L592 HydrophobicContact CB-CB 4.21Å; D402-L592 HydrophobicContact CB-CD2 4.18Å; D402-L592 HydrophobicContact CB-CG 4.47Å; D402-L592 WeakPolarHBondContact OD2-CA 3.49Å; I403-L592 WeakPolarHBondContact O-CD2 3.38Å; I404-L592 HydrophobicContact CD1-CD2 4.45Å; I404-L592 HydrophobicContact CG1-CD2 3.73Å; T573-L592 HydrophobicContact CG2-CD1 4.11Å; T573-L592 HydrophobicContact CG2-CD2 4.48Å; T573-L592 HydrophobicContact CG2-CG 3.84Å; M575-L592 HydrophobicContact CB-CD1 4.25Å; M575-L592 HydrophobicContact CB-CD2 4.28Å; M575-L592 HydrophobicContact CE-CD1 3.98Å; A588-L592 HydrophobicContact CB-CD1 4Å; A588-L592 WeakPolarHBondContact O-CB 3.43Å; A588-L592 VanDerWaalsContact O-CD1 3.25Å; A588-L592 WeakPolarHBondContact O-CD1 3.48Å; A588-L592 PolarHBondContact O-N 2.84Å; L592-P595 HydrophobicContact CB-CB 4.03Å; L592-P595 HydrophobicContact CB-CG 3.9Å; L592-P595 HydrophobicContact CD2-CB 3.64Å; L592-P595 HydrophobicContact CD2-CG 4.11Å; L592-P595 HydrophobicContact CG-CB 4.47Å
593	R	93.4	Very high	88.4	Confident	38 Å²	38	41.2 Å²	41.2	14%	0.143	21%	0.211	C	C	.	.	S	Bend	trans	-122.4	121.1	175	-59.7	-70.8	171.2	-93.4	0.9	108.8	D402 E547 K548 R589 S590	D402-R593 PolarHBondContact OD2-N 3.13Å; E547-R593 VanDerWaalsContact CD-CZ 3.44Å; E547-R593 VanDerWaalsContact CD-NE 3.29Å; E547-R593 HydrophobicContact CG-CG 4.11Å; E547-R593 IonicContact OE1-CZ 2.68Å; E547-R593 IonicContact OE1-NE 2.72Å; E547-R593 IonicContact OE1-NH2 2.84Å; E547-R593 PolarHBondContact OE1-NH2 2.76Å; E547-R593 IonicContact OE2-CZ 3.48Å; E547-R593 IonicContact OE2-NE 3.62Å; E547-R593 PolarHBondContact OE2-NE 3.29Å; E547-R593 IonicContact OE2-NH2 2.66Å; E547-R593 PolarHBondContact OE2-NH2 3.28Å; K548-R593 HydrophobicContact CB-CB 3.91Å; K548-R593 HydrophobicContact CB-CG 4.13Å; R589-R593 PolarHBondContact O-NH1 2.73Å; S590-R593 PolarHBondContact O-NH1 3.47Å; S590-R593 PolarHBondContact O-NH2 3.48Å
594	R	91.9	Very high	86.5	Confident	81 Å²	81	41.9 Å²	41.9	31%	0.306	22%	0.22	S	C	.	.	S	Bend	trans	33.2	60.1	-172.2	-53.1	-167.4	85.9	-144	16.3	114.8	N551 A554 E555	N551-R594 WeakPolarHBondContact O-CD 3.2Å; A554-R594 HydrophobicContact CB-CB 4.26Å; A554-R594 HydrophobicContact CB-CG 4.35Å; E555-R594 HydrophobicContact CG-CB 3.71Å; E555-R594 IonicContact OE2-CZ 2.69Å; E555-R594 IonicContact OE2-NH1 2.71Å; E555-R594 PolarHBondContact OE2-NH1 2.9Å; E555-R594 IonicContact OE2-NH2 3.2Å
595	P	94.2	Very high	85.1	Confident	29 Å²	29	46.1 Å²	46.1	19%	0.188	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-72.6	142.3	-173.6	29.8	-35.8	0	0	0	113.2	D402 I404 L592	D402-P595 HydrophobicContact CB-CB 3.9Å; D402-P595 CarbonylContact O-C 3.55Å; D402-P595 VanDerWaalsContact O-CA 3.29Å; D402-P595 WeakPolarHBondContact O-CA 3.34Å; I404-P595 HydrophobicContact CD1-CB 4.33Å; I404-P595 HydrophobicContact CD1-CG 3.81Å; I404-P595 HydrophobicContact CG1-CB 4.04Å; I404-P595 HydrophobicContact CG1-CG 4.1Å; L592-P595 HydrophobicContact CB-CB 4.03Å; L592-P595 HydrophobicContact CB-CG 3.9Å; L592-P595 HydrophobicContact CD2-CB 3.64Å; L592-P595 HydrophobicContact CD2-CG 4.11Å; L592-P595 HydrophobicContact CG-CB 4.47Å
596	A	94.9	Very high	83.7	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	124.6	166.7	0	0	0	0	0	109.9	K354 I358 I396 D402 I403 I404	K354-A596 CarbonylContact O-C 3.47Å; K354-A596 WeakPolarHBondContact O-CA 3.19Å; I358-A596 HydrophobicContact CD1-CB 4.44Å; I396-A596 HydrophobicContact CD1-CB 4.02Å; I396-A596 HydrophobicContact CG2-CB 3.94Å; D402-A596 PolarHBondContact O-N 3.09Å; I403-A596 WeakPolarHBondContact CA-O 3.47Å; I404-A596 PolarHBondContact N-O 2.94Å
597	M	94.4	Very high	82.4	Confident	54 Å²	54	37.8 Å²	37.8	27%	0.266	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	133.6	174.8	-51.4	-178.8	-124.9	0	0	110.1	T353 K354 I404 Y599	T353-M597 CarbonylContact C-O 3.55Å; T353-M597 WeakPolarHBondContact CA-O 3.43Å; K354-M597 HydrophobicContact CB-CB 4.14Å; K354-M597 HydrophobicContact CB-CE 4Å; K354-M597 HydrophobicContact CB-CG 4.4Å; K354-M597 HydrophobicContact CB-SD 4.37Å; K354-M597 HydrophobicContact CD-CE 3.9Å; K354-M597 HydrophobicContact CD-SD 3.96Å; K354-M597 PolarHBondContact N-O 2.9Å; K354-M597 PolarHBondContact O-N 3.41Å; I404-M597 HydrophobicContact CB-CG 4.25Å; I404-M597 HydrophobicContact CD1-CG 4.47Å; I404-M597 CarbonylContact O-C 3.58Å; I404-M597 WeakPolarHBondContact O-CA 3.44Å; M597-Y599 HydrophobicContact CB-CD2 4.29Å; M597-Y599 HydrophobicContact CB-CE2 3.62Å; M597-Y599 HydrophobicContact CG-CE2 4.5Å; M597-Y599 HydrophobicContact SD-CE2 4.13Å; M597-Y599 PolarHBondContact SD-OH 3.16Å
598	V	94.2	Very high	81.4	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	112.5	175	-176.1	0	0	0	0	108.5	I351 T353 I389 Q392 I396 I404 G405 V406 I600	I351-V598 HydrophobicContact CG2-CG1 4.12Å; T353-V598 HydrophobicContact CG2-CG2 4.41Å; I389-V598 HydrophobicContact CD1-CB 4.17Å; I389-V598 HydrophobicContact CD1-CG1 3.81Å; Q392-V598 HydrophobicContact CB-CG1 3.94Å; Q392-V598 HydrophobicContact CG-CG1 3.87Å; Q392-V598 HydrophobicContact CG-CG2 3.91Å; I396-V598 HydrophobicContact CD1-CG2 3.57Å; I404-V598 PolarHBondContact O-N 2.82Å; G405-V598 CarbonylContact C-O 3.58Å; G405-V598 WeakPolarHBondContact CA-O 3.32Å; V406-V598 PolarHBondContact N-O 3.07Å; V598-I600 HydrophobicContact CG1-CD1 3.96Å
599	Y	91.5	Very high	80.5	Confident	40 Å²	40	47.9 Å²	47.9	16%	0.157	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.1	177.4	-59.5	-97.5	0	0	0	109.6	I351 S352 K354 V406 M597 A603	I351-Y599 WeakPolarHBondContact CA-O 3.47Å; S352-Y599 PolarHBondContact N-O 3.29Å; S352-Y599 PolarHBondContact O-N 3.08Å; K354-Y599 HydrophobicContact CD-CE2 3.9Å; K354-Y599 HydrophobicContact CG-CE2 4.15Å; K354-Y599 PolarHBondContact NZ-OH 3.07Å; K354-Y599 VanDerWaalsContact NZ-OH 3.14Å; V406-Y599 HydrophobicContact CB-CD1 3.55Å; V406-Y599 HydrophobicContact CB-CE1 4.03Å; V406-Y599 HydrophobicContact CB-CG 4.23Å; V406-Y599 HydrophobicContact CG1-CD1 3.89Å; V406-Y599 HydrophobicContact CG1-CE1 4.34Å; V406-Y599 HydrophobicContact CG2-CD1 3.71Å; V406-Y599 HydrophobicContact CG2-CE1 3.64Å; M597-Y599 HydrophobicContact CB-CD2 4.29Å; M597-Y599 HydrophobicContact CB-CE2 3.62Å; M597-Y599 HydrophobicContact CG-CE2 4.5Å; M597-Y599 HydrophobicContact SD-CE2 4.13Å; M597-Y599 PolarHBondContact SD-OH 3.16Å; Y599-A603 HydrophobicContact CD1-CB 4.41Å
600	I	87.3	Confident	80.2	Confident	30 Å²	30	39.8 Å²	39.8	15%	0.154	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120.8	178.9	-54.4	-60.8	0	0	0	109.9	I351 P388 I389 V406 A407 V598	I351-I600 HydrophobicContact CB-CD1 4.31Å; I351-I600 HydrophobicContact CG1-CD1 3.85Å; I351-I600 HydrophobicContact CG2-CD1 4.11Å; P388-I600 HydrophobicContact CB-CD1 3.94Å; P388-I600 HydrophobicContact CB-CG2 3.82Å; I389-I600 HydrophobicContact CB-CD1 4.38Å; I389-I600 HydrophobicContact CB-CG1 3.97Å; I389-I600 HydrophobicContact CD1-CD1 4.25Å; I389-I600 HydrophobicContact CD1-CG1 3.79Å; I389-I600 HydrophobicContact CG1-CG1 4.43Å; V406-I600 PolarHBondContact O-N 2.85Å; A407-I600 HydrophobicContact CB-CB 4.09Å; A407-I600 HydrophobicContact CB-CG1 4.04Å; V598-I600 HydrophobicContact CG1-CD1 3.96Å
601	G	76.3	Confident	80.1	Confident	33 Å²	33	41.8 Å²	41.8	34%	0.34	22%	0.22	S	C	.	.	S	Bend	trans	76.1	-175.1	-178.1	0	0	0	0	0	114.3	N350 A603	N350-G601 PolarHBondContact O-N 3.17Å; G601-A603 PolarHBondContact O-N 3.4Å
602	S	63.5	Low	80.1	Confident	61 Å²	61	41.8 Å²	41.8	43%	0.427	22%	0.22	S	C	.	.	S	Bend	trans	-62.7	97.4	162.4	-62.4	0	0	0	0	108.5	G604 K605 E608	S602-G604 PolarHBondContact O-N 3.34Å; S602-K605 PolarHBondContact O-N 3Å; S602-E608 VanDerWaalsContact CB-OE1 3.27Å; S602-E608 WeakPolarHBondContact CB-OE1 3.14Å; S602-E608 PolarHBondContact OG-OE1 3.05Å
603	A	49.8	Very low	80.1	Confident	54 Å²	54	43.7 Å²	43.7	45%	0.446	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	122.4	-171.8	0	0	0	0	0	112.5	V406 Y599 G601	V406-A603 HydrophobicContact CG1-CB 4.24Å; Y599-A603 HydrophobicContact CD1-CB 4.41Å; G601-A603 PolarHBondContact O-N 3.4Å
604	G	51.3	Low	80.1	Confident	30 Å²	30	42.4 Å²	42.4	31%	0.309	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	18.1	173.7	0	0	0	0	0	116.6	S602	S602-G604 PolarHBondContact O-N 3.34Å
605	K	63.5	Low	80.2	Confident	89 Å²	89	42.4 Å²	42.4	39%	0.387	23%	0.227	S	C	.	.			trans	-126.6	76.6	-178.3	-63.8	-168.5	-172.4	-175.3	0	115.2	S602 T607	S602-K605 PolarHBondContact O-N 3Å; K605-T607 PolarHBondContact O-N 3.33Å
606	P	61.4	Low	80.2	Confident	17 Å²	17	43.2 Å²	43.2	11%	0.11	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-52.9	-20.4	161.3	-23.7	31.7	0	0	0	114	E408 E608 R609 V610 V720	E408-P606 WeakPolarHBondContact OE1-CD 3.34Å; E408-P606 WeakPolarHBondContact OE1-CG 3.45Å; P606-E608 PolarHBondContact O-N 3.42Å; P606-E608 VanDerWaalsContact O-N 3.12Å; P606-R609 PolarHBondContact O-N 3.18Å; P606-R609 VanDerWaalsContact O-N 3.09Å; P606-V610 PolarHBondContact O-N 2.83Å; P606-V720 HydrophobicContact CG-CG1 3.91Å
607	T	66.6	Low	80.1	Confident	4 Å²	4	44.3 Å²	44.3	3%	0.025	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-60.5	-20.6	-171.5	66.9	0	0	0	0	114.4	K605 R609 I723 L753 S757	K605-T607 PolarHBondContact O-N 3.33Å; T607-R609 VanDerWaalsContact C-N 3.32Å; T607-I723 HydrophobicContact CG2-CD1 4.27Å; T607-L753 HydrophobicContact CG2-CD1 4.1Å; T607-L753 HydrophobicContact CG2-CD2 3.34Å; T607-L753 HydrophobicContact CG2-CG 3.69Å; T607-S757 WeakPolarHBondContact O-CB 3.36Å; T607-S757 PolarHBondContact O-OG 2.94Å
608	E	71.4	Confident	80.1	Confident	84 Å²	84	44.4 Å²	44.4	39%	0.393	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-72.5	-24.3	176.8	-67.2	177.5	-161.4	0	0	112.9	S602 P606	S602-E608 VanDerWaalsContact CB-OE1 3.27Å; S602-E608 WeakPolarHBondContact CB-OE1 3.14Å; S602-E608 PolarHBondContact OG-OE1 3.05Å; P606-E608 PolarHBondContact O-N 3.42Å; P606-E608 VanDerWaalsContact O-N 3.12Å
609	R	74.8	Confident	80	Confident	137 Å²	137	48.6 Å²	48.6	52%	0.517	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-13.4	-172.7	-60.5	180	-176.2	166	0	114.6	P606 T607 G733	P606-R609 PolarHBondContact O-N 3.18Å; P606-R609 VanDerWaalsContact O-N 3.09Å; T607-R609 VanDerWaalsContact C-N 3.32Å; R609-G733 PolarHBondContact O-N 3.02Å
610	V	85.2	Confident	80	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.006	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	118.4	178.7	-177.2	0	0	0	0	108.9	P606 Q612 I723 T726 G733 A735 V759 S760	P606-V610 PolarHBondContact O-N 2.83Å; V610-Q612 HydrophobicContact CG1-CG 4.25Å; V610-Q612 PolarHBondContact O-N 3.13Å; V610-Q612 PolarHBondContact O-NE2 3.36Å; V610-I723 HydrophobicContact CG1-CB 4.28Å; V610-T726 WeakPolarHBondContact CG2-OG1 3.39Å; V610-G733 CarbonylContact C-O 3.55Å; V610-G733 WeakPolarHBondContact CA-O 3.2Å; V610-A735 HydrophobicContact CG1-CB 3.6Å; V610-V759 WeakPolarHBondContact O-CG2 3.44Å; V610-S760 PolarHBondContact O-OG 3.13Å
611	E	90.2	Very high	80.3	Confident	88 Å²	88	57.1 Å²	57.1	41%	0.411	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	123.8	169.1	179.8	-180	-179.5	0	0	108.6	I613 G733 I734 A735	E611-I613 HydrophobicContact CG-CG1 4.37Å; E611-G733 PolarHBondContact N-O 2.97Å; E611-I734 CarbonylContact O-C 3.56Å; E611-I734 WeakPolarHBondContact O-CA 3.31Å; E611-A735 PolarHBondContact O-N 3.3Å
612	Q	92.3	Very high	81.2	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.009	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	117.6	-174.5	-66.8	158	77.6	0	0	110.5	V610 Y719 I723 A735 L754 S760	V610-Q612 HydrophobicContact CG1-CG 4.25Å; V610-Q612 PolarHBondContact O-N 3.13Å; V610-Q612 PolarHBondContact O-NE2 3.36Å; Q612-Y719 PolarHBondContact OE1-OH 3.12Å; Q612-Y719 VanDerWaalsContact OE1-OH 3.06Å; Q612-I723 HydrophobicContact CG-CD1 4.22Å; Q612-A735 WeakPolarHBondContact CA-O 3.34Å; Q612-A735 HydrophobicContact CG-CB 4.09Å; Q612-L754 HydrophobicContact CB-CD2 3.36Å; Q612-L754 HydrophobicContact CG-CD2 4.36Å; Q612-S760 WeakPolarHBondContact CB-OG 3.49Å; Q612-S760 PolarHBondContact N-OG 3.09Å; Q612-S760 PolarHBondContact NE2-OG 3.25Å
613	I	93.3	Very high	82.6	Confident	46 Å²	46	59.4 Å²	59.4	24%	0.236	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.5	-178.4	-56.4	175.3	0	0	0	107.9	E611 Y615 I734 A735 I736 S737	E611-I613 HydrophobicContact CG-CG1 4.37Å; I613-Y615 HydrophobicContact CG2-CD2 4.41Å; I613-Y615 HydrophobicContact CG2-CE1 4.39Å; I613-Y615 HydrophobicContact CG2-CE2 3.74Å; I613-I734 HydrophobicContact CD1-CG2 4.07Å; I613-A735 PolarHBondContact N-O 3.45Å; I613-I736 HydrophobicContact CB-CG1 4.3Å; I613-I736 HydrophobicContact CD1-CG1 4.48Å; I613-I736 CarbonylContact O-C 3.43Å; I613-I736 WeakPolarHBondContact O-CA 3.42Å; I613-S737 PolarHBondContact O-N 3.2Å
614	V	94.6	Very high	84.7	Confident	10 Å²	10	64.1 Å²	64.1	6%	0.061	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	127.9	-176.7	170.1	0	0	0	0	110.1	S737 L739 L750 L754 P763 L766	V614-S737 WeakPolarHBondContact CA-O 3.45Å; V614-L739 HydrophobicContact CG1-CD1 3.34Å; V614-L739 HydrophobicContact CG1-CG 3.76Å; V614-L750 HydrophobicContact CG2-CD2 4.31Å; V614-L754 HydrophobicContact CG2-CD1 3.9Å; V614-L754 HydrophobicContact CG2-CD2 4.48Å; V614-P763 HydrophobicContact CB-CG 3.97Å; V614-P763 HydrophobicContact CG1-CG 4.2Å; V614-L766 HydrophobicContact CG1-CD2 4.34Å
615	Y	94.4	Very high	86.7	Confident	81 Å²	81	64.2 Å²	64.2	32%	0.318	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	122.4	173.4	-63	-67.5	0	0	0	109.9	I613 K625 I629 I736 S737 L738 L739	I613-Y615 HydrophobicContact CG2-CD2 4.41Å; I613-Y615 HydrophobicContact CG2-CE1 4.39Å; I613-Y615 HydrophobicContact CG2-CE2 3.74Å; Y615-K625 HydrophobicContact CD2-CG 4.39Å; Y615-I629 HydrophobicContact CD2-CD1 4.36Å; Y615-I629 HydrophobicContact CE2-CD1 4.21Å; Y615-I629 HydrophobicContact CE2-CG1 4.49Å; Y615-I736 HydrophobicContact CD2-CG2 3.77Å; Y615-I736 HydrophobicContact CE2-CG2 3.68Å; Y615-S737 PolarHBondContact N-O 3.04Å; Y615-L738 HydrophobicContact CD2-CD2 4.14Å; Y615-L739 PolarHBondContact O-N 3.06Å
616	M	92.4	Very high	88.1	Confident	47 Å²	47	60 Å²	60	23%	0.232	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	122	165.6	-68.1	-69	-170.3	0	0	108.8	L739 F747 E765 L766	M616-L739 HydrophobicContact CE-CD1 3.93Å; M616-L739 HydrophobicContact SD-CB 3.66Å; M616-L739 HydrophobicContact SD-CD1 4.05Å; M616-F747 HydrophobicContact CE-CD2 4.1Å; M616-F747 HydrophobicContact CE-CE1 4.35Å; M616-F747 HydrophobicContact CE-CE2 3.54Å; M616-F747 HydrophobicContact CE-CZ 3.68Å; M616-F747 HydrophobicContact SD-CE2 4.11Å; M616-F747 HydrophobicContact SD-CZ 3.76Å; M616-E765 HydrophobicContact CG-CB 4.07Å; M616-L766 HydrophobicContact CE-CB 3.81Å; M616-L766 HydrophobicContact CE-CD1 3.56Å; M616-L766 HydrophobicContact CE-CG 4.26Å
617	V	94.1	Very high	89.6	Confident	23 Å²	23	61.6 Å²	61.6	14%	0.139	28%	0.278	C	S	.	.			trans	-139.7	157.7	-179.1	-66.2	0	0	0	0	110.9	E621 K622 K625 L738 L739	V617-E621 HydrophobicContact CB-CB 4.22Å; V617-K622 HydrophobicContact CG2-CG 3.83Å; V617-K625 HydrophobicContact CG1-CB 4.31Å; V617-K625 HydrophobicContact CG1-CG 4.28Å; V617-L738 HydrophobicContact CG2-CB 3.94Å; V617-L739 PolarHBondContact N-O 2.92Å; V617-L739 VanDerWaalsContact O-O 3.09Å
618	S	94	Very high	90.9	Very high	55 Å²	55	66.3 Å²	66.3	39%	0.385	30%	0.299	S	S	.	.			trans	-77.7	157.1	162.5	66.8	0	0	0	0	111.1	Q620 E621 K622	S618-Q620 PolarHBondContact O-N 2.89Å; S618-E621 WeakPolarHBondContact CB-OE2 3.41Å; S618-E621 PolarHBondContact N-OE2 3.01Å; S618-E621 VanDerWaalsContact N-OE2 3.15Å; S618-E621 WeakPolarHBondContact O-CB 3.49Å; S618-E621 PolarHBondContact O-N 3.43Å; S618-E621 VanDerWaalsContact OG-CD 3.31Å; S618-E621 VanDerWaalsContact OG-CG 3.26Å; S618-E621 WeakPolarHBondContact OG-CG 3.33Å; S618-E621 PolarHBondContact OG-OE2 3.38Å; S618-K622 PolarHBondContact O-N 3.32Å
619	E	92	Very high	91.8	Very high	88 Å²	88	63 Å²	63	41%	0.411	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-37.2	-179.7	-173.6	57.6	-150.7	0	0	112.7	E621 K622	E619-E621 VanDerWaalsContact C-N 3.28Å; E619-E621 PolarHBondContact O-N 2.91Å; E619-K622 PolarHBondContact O-N 2.87Å; E619-K622 IonicContact OE1-NZ 3.11Å; E619-K622 PolarHBondContact OE1-NZ 2.89Å; E619-K622 WeakPolarHBondContact OE2-CD 3.33Å; E619-K622 WeakPolarHBondContact OE2-CE 3.32Å; E619-K622 IonicContact OE2-NZ 3.93Å; E619-K622 PolarHBondContact OE2-NZ 2.96Å
620	Q	92.1	Very high	92.6	Very high	181 Å²	181	56.7 Å²	56.7	85%	0.846	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-26.6	178.1	-61.1	-179.7	4.1	0	0	112.7	S618	S618-Q620 PolarHBondContact O-N 2.89Å
621	E	93.8	Very high	92.8	Very high	69 Å²	69	60.4 Å²	60.4	32%	0.322	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-19.9	-178.7	-70.9	174.9	113.1	0	0	113.6	V617 S618 E619 R623 R624 K625	V617-E621 HydrophobicContact CB-CB 4.22Å; S618-E621 WeakPolarHBondContact CB-OE2 3.41Å; S618-E621 PolarHBondContact N-OE2 3.01Å; S618-E621 VanDerWaalsContact N-OE2 3.15Å; S618-E621 WeakPolarHBondContact O-CB 3.49Å; S618-E621 PolarHBondContact O-N 3.43Å; S618-E621 VanDerWaalsContact OG-CD 3.31Å; S618-E621 VanDerWaalsContact OG-CG 3.26Å; S618-E621 WeakPolarHBondContact OG-CG 3.33Å; S618-E621 PolarHBondContact OG-OE2 3.38Å; E619-E621 VanDerWaalsContact C-N 3.28Å; E619-E621 PolarHBondContact O-N 2.91Å; E621-R623 PolarHBondContact O-N 3.4Å; E621-R623 VanDerWaalsContact O-N 3.16Å; E621-R624 WeakPolarHBondContact O-CA 3.35Å; E621-R624 WeakPolarHBondContact O-CB 3.46Å; E621-R624 PolarHBondContact O-N 3.4Å; E621-R624 IonicContact OE1-CZ 3.37Å; E621-R624 IonicContact OE1-NH2 2.69Å; E621-R624 PolarHBondContact OE1-NH2 3.22Å; E621-K625 PolarHBondContact O-N 2.96Å
622	K	94.1	Very high	92.6	Very high	5 Å²	5	60.6 Å²	60.6	2%	0.022	31%	0.308	C	S	.	.	H	α-helix	trans	-47.4	-47.1	178.5	-77.4	-177.8	170.4	166	0	112.3	V617 S618 E619 R624 K625 L626 Y710 D711 L738 T740	V617-K622 HydrophobicContact CG2-CG 3.83Å; S618-K622 PolarHBondContact O-N 3.32Å; E619-K622 PolarHBondContact O-N 2.87Å; E619-K622 IonicContact OE1-NZ 3.11Å; E619-K622 PolarHBondContact OE1-NZ 2.89Å; E619-K622 WeakPolarHBondContact OE2-CD 3.33Å; E619-K622 WeakPolarHBondContact OE2-CE 3.32Å; E619-K622 IonicContact OE2-NZ 3.93Å; E619-K622 PolarHBondContact OE2-NZ 2.96Å; K622-R624 PolarHBondContact O-N 3.22Å; K622-K625 PolarHBondContact O-N 3.31Å; K622-L626 WeakPolarHBondContact O-CB 3.34Å; K622-L626 PolarHBondContact O-N 2.94Å; K622-Y710 HydrophobicContact CB-CD2 4.43Å; K622-Y710 HydrophobicContact CB-CE1 4.08Å; K622-Y710 HydrophobicContact CB-CE2 3.73Å; K622-Y710 WeakPolarHBondContact CB-OH 3.48Å; K622-Y710 HydrophobicContact CD-CD1 4.14Å; K622-Y710 HydrophobicContact CD-CE1 3.76Å; K622-Y710 VanDerWaalsContact CD-O 3.29Å; K622-Y710 WeakPolarHBondContact CD-O 3.43Å; K622-Y710 WeakPolarHBondContact CE-O 3.48Å; K622-D711 IonicContact NZ-OD1 2.66Å; K622-D711 PolarHBondContact NZ-OD1 3.38Å; K622-L738 HydrophobicContact CB-CD1 4Å; K622-L738 HydrophobicContact CG-CB 4.25Å; K622-L738 HydrophobicContact CG-CD1 4.08Å; K622-T740 HydrophobicContact CD-CG2 4.44Å
623	R	92.6	Very high	92	Very high	136 Å²	136	62.7 Å²	62.7	51%	0.513	33%	0.33	S	S	.	.	H	α-helix	trans	-63	-41.5	178.5	-174	177.5	178.7	-172.2	-1.4	112.7	E621 L627 Y710	E621-R623 PolarHBondContact O-N 3.4Å; E621-R623 VanDerWaalsContact O-N 3.16Å; R623-L627 WeakPolarHBondContact O-CG 3.34Å; R623-L627 PolarHBondContact O-N 3.12Å; R623-Y710 PolarHBondContact N-OH 3.2Å
624	R	93.8	Very high	91.2	Very high	153 Å²	153	62.3 Å²	62.3	58%	0.577	33%	0.328	S	S	*	.	H	α-helix	trans	-65.7	-45.7	177.3	-178.6	175.9	68	97.7	-6	110.7	E621 K622 L627 E628	E621-R624 WeakPolarHBondContact O-CA 3.35Å; E621-R624 WeakPolarHBondContact O-CB 3.46Å; E621-R624 PolarHBondContact O-N 3.4Å; E621-R624 IonicContact OE1-CZ 3.37Å; E621-R624 IonicContact OE1-NH2 2.69Å; E621-R624 PolarHBondContact OE1-NH2 3.22Å; K622-R624 PolarHBondContact O-N 3.22Å; R624-L627 PolarHBondContact O-N 3.15Å; R624-E628 PolarHBondContact O-N 3.48Å
625	K	93.7	Very high	90.7	Very high	33 Å²	33	67.6 Å²	67.6	14%	0.143	36%	0.357	C	S	.	.	H	α-helix	trans	-66.5	-39.7	179.5	-166.6	72.7	-152.3	169.2	0	112	Y615 V617 E621 K622 L627 E628 I629 L738	Y615-K625 HydrophobicContact CD2-CG 4.39Å; V617-K625 HydrophobicContact CG1-CB 4.31Å; V617-K625 HydrophobicContact CG1-CG 4.28Å; E621-K625 PolarHBondContact O-N 2.96Å; K622-K625 PolarHBondContact O-N 3.31Å; K625-L627 PolarHBondContact O-N 3.17Å; K625-E628 WeakPolarHBondContact CD-OE2 3.47Å; K625-E628 WeakPolarHBondContact CE-OE2 3.34Å; K625-E628 IonicContact NZ-OE1 2.78Å; K625-E628 PolarHBondContact NZ-OE1 2.97Å; K625-E628 IonicContact NZ-OE2 2.61Å; K625-E628 PolarHBondContact NZ-OE2 2.84Å; K625-E628 WeakPolarHBondContact O-CB 3.35Å; K625-E628 PolarHBondContact O-N 3.45Å; K625-I629 HydrophobicContact CG-CD1 4.15Å; K625-I629 WeakPolarHBondContact O-CD1 3.35Å; K625-I629 VanDerWaalsContact O-CG1 3.3Å; K625-I629 WeakPolarHBondContact O-CG1 3.43Å; K625-I629 PolarHBondContact O-N 3.27Å; K625-L738 HydrophobicContact CB-CD2 4.3Å; K625-L738 HydrophobicContact CG-CD2 3.85Å
626	L	94.1	Very high	90.2	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.005	37%	0.365	C	S	.	.	H	α-helix	trans	-56.2	-50.5	172.3	178.2	67.5	0	0	0	110.7	K622 E628 I629 L630 I640 L651 L655 I708 Y710	K622-L626 WeakPolarHBondContact O-CB 3.34Å; K622-L626 PolarHBondContact O-N 2.94Å; L626-E628 VanDerWaalsContact C-N 3.3Å; L626-E628 PolarHBondContact O-N 3.29Å; L626-I629 WeakPolarHBondContact O-CB 3.42Å; L626-I629 PolarHBondContact O-N 3.12Å; L626-I629 VanDerWaalsContact O-N 3.11Å; L626-L630 HydrophobicContact CD1-CD1 4.36Å; L626-L630 HydrophobicContact CD1-CD2 4.07Å; L626-L630 HydrophobicContact CD1-CG 4.07Å; L626-L630 HydrophobicContact CG-CD1 4.13Å; L626-L630 HydrophobicContact CG-CG 4.14Å; L626-L630 WeakPolarHBondContact O-CG 3.22Å; L626-L630 PolarHBondContact O-N 3.34Å; L626-I640 HydrophobicContact CD1-CD1 4.02Å; L626-I640 HydrophobicContact CD2-CD1 4.27Å; L626-L651 HydrophobicContact CD2-CD1 3.76Å; L626-L651 HydrophobicContact CD2-CD2 4.32Å; L626-L651 HydrophobicContact CD2-CG 4.4Å; L626-L655 HydrophobicContact CD2-CD2 4.22Å; L626-I708 HydrophobicContact CD1-CD1 3.95Å; L626-I708 HydrophobicContact CD1-CG2 3.93Å; L626-Y710 HydrophobicContact CB-CD2 4.15Å; L626-Y710 HydrophobicContact CB-CE2 4.17Å; L626-Y710 HydrophobicContact CD2-CD2 3.84Å; L626-Y710 HydrophobicContact CD2-CE2 4.02Å; L626-Y710 HydrophobicContact CG-CD2 4.41Å
627	L	92.6	Very high	89.9	Confident	50 Å²	50	66.3 Å²	66.3	26%	0.262	36%	0.361	S	S	.	.	H	α-helix	trans	-64.8	-33.6	-179.3	-65.2	176.2	0	0	0	113	R623 R624 K625 L630 A631 L655 L658 Y660	R623-L627 WeakPolarHBondContact O-CG 3.34Å; R623-L627 PolarHBondContact O-N 3.12Å; R624-L627 PolarHBondContact O-N 3.15Å; K625-L627 PolarHBondContact O-N 3.17Å; L627-L630 PolarHBondContact O-N 3.1Å; L627-A631 WeakPolarHBondContact O-CB 3.31Å; L627-A631 PolarHBondContact O-N 2.87Å; L627-L655 HydrophobicContact CD2-CD2 4.16Å; L627-L658 HydrophobicContact CD1-CD1 3.64Å; L627-L658 HydrophobicContact CD2-CD1 3.47Å; L627-L658 VanDerWaalsContact CD2-CD1 3.47Å; L627-L658 HydrophobicContact CG-CD1 4.2Å; L627-Y660 HydrophobicContact CD2-CE2 4.32Å
628	E	92.9	Very high	89.8	Confident	102 Å²	102	65.2 Å²	65.2	48%	0.477	36%	0.355	S	S	.	.	H	α-helix	trans	-61.8	-43	171.4	-167.3	-165.4	142.3	0	0	111.6	R624 K625 L626 A631 A632	R624-E628 PolarHBondContact O-N 3.48Å; K625-E628 WeakPolarHBondContact CD-OE2 3.47Å; K625-E628 WeakPolarHBondContact CE-OE2 3.34Å; K625-E628 IonicContact NZ-OE1 2.78Å; K625-E628 PolarHBondContact NZ-OE1 2.97Å; K625-E628 IonicContact NZ-OE2 2.61Å; K625-E628 PolarHBondContact NZ-OE2 2.84Å; K625-E628 WeakPolarHBondContact O-CB 3.35Å; K625-E628 PolarHBondContact O-N 3.45Å; L626-E628 VanDerWaalsContact C-N 3.3Å; L626-E628 PolarHBondContact O-N 3.29Å; E628-A631 PolarHBondContact O-N 3.07Å; E628-A632 PolarHBondContact O-N 3.36Å
629	I	92.1	Very high	89.7	Confident	14 Å²	14	62.8 Å²	62.8	7%	0.072	34%	0.338	C	S	.	.	H	α-helix	trans	-64.8	-49.4	175.4	-66.8	156.7	0	0	0	110.7	Y615 K625 L626 A631 A632 M706 I708 I736 L738	Y615-I629 HydrophobicContact CD2-CD1 4.36Å; Y615-I629 HydrophobicContact CE2-CD1 4.21Å; Y615-I629 HydrophobicContact CE2-CG1 4.49Å; K625-I629 HydrophobicContact CG-CD1 4.15Å; K625-I629 WeakPolarHBondContact O-CD1 3.35Å; K625-I629 VanDerWaalsContact O-CG1 3.3Å; K625-I629 WeakPolarHBondContact O-CG1 3.43Å; K625-I629 PolarHBondContact O-N 3.27Å; L626-I629 WeakPolarHBondContact O-CB 3.42Å; L626-I629 PolarHBondContact O-N 3.12Å; L626-I629 VanDerWaalsContact O-N 3.11Å; I629-A631 PolarHBondContact O-N 2.93Å; I629-A632 WeakPolarHBondContact O-CB 3.41Å; I629-A632 PolarHBondContact O-N 2.89Å; I629-M706 HydrophobicContact CG2-SD 4.3Å; I629-I708 HydrophobicContact CG2-CD1 3.93Å; I629-I736 HydrophobicContact CD1-CD1 4.49Å; I629-I736 HydrophobicContact CD1-CG2 3.73Å; I629-I736 HydrophobicContact CG1-CD1 4.4Å; I629-I736 HydrophobicContact CG2-CD1 3.58Å; I629-L738 HydrophobicContact CD1-CD2 4.31Å
630	L	90.8	Very high	89.8	Confident	6 Å²	6	58.6 Å²	58.6	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-65.8	-22.4	179.8	-58.7	-171.7	0	0	0	113.1	L626 L627 L634 L655 Y660 I688 I708	L626-L630 HydrophobicContact CD1-CD1 4.36Å; L626-L630 HydrophobicContact CD1-CD2 4.07Å; L626-L630 HydrophobicContact CD1-CG 4.07Å; L626-L630 HydrophobicContact CG-CD1 4.13Å; L626-L630 HydrophobicContact CG-CG 4.14Å; L626-L630 WeakPolarHBondContact O-CG 3.22Å; L626-L630 PolarHBondContact O-N 3.34Å; L627-L630 PolarHBondContact O-N 3.1Å; L630-L634 HydrophobicContact CB-CD1 4.1Å; L630-L634 HydrophobicContact CD2-CD1 3.91Å; L630-L634 HydrophobicContact CD2-CD2 3.51Å; L630-L634 HydrophobicContact CD2-CG 4.25Å; L630-L634 HydrophobicContact CG-CD1 4.45Å; L630-L655 HydrophobicContact CD1-CD2 3.41Å; L630-L655 VanDerWaalsContact CD1-CD2 3.41Å; L630-Y660 HydrophobicContact CB-CE1 3.95Å; L630-Y660 HydrophobicContact CB-CE2 4.31Å; L630-Y660 WeakPolarHBondContact CB-OH 3.5Å; L630-Y660 HydrophobicContact CD1-CD2 4.32Å; L630-Y660 HydrophobicContact CD1-CE1 4.39Å; L630-Y660 HydrophobicContact CD1-CE2 4.18Å; L630-Y660 HydrophobicContact CD1-CG 4.48Å; L630-Y660 PolarHBondContact O-OH 3.4Å; L630-I688 HydrophobicContact CD1-CD1 3.98Å; L630-I688 HydrophobicContact CD2-CD1 4.26Å; L630-I708 HydrophobicContact CD2-CD1 3.82Å
631	A	89.3	Confident	90	Very high	78 Å²	78	50.2 Å²	50.2	65%	0.645	28%	0.279	S	S	*	.	H	α-helix	trans	-85.1	-18.5	176.5	0	0	0	0	0	113.6	L627 E628 I629 G633	L627-A631 WeakPolarHBondContact O-CB 3.31Å; L627-A631 PolarHBondContact O-N 2.87Å; E628-A631 PolarHBondContact O-N 3.07Å; I629-A631 PolarHBondContact O-N 2.93Å; A631-G633 VanDerWaalsContact C-N 3.25Å; A631-G633 PolarHBondContact O-N 3.46Å
632	A	86.2	Confident	90	Very high	93 Å²	93	47 Å²	47	77%	0.769	26%	0.264	S	S	*	.	H	α-helix	trans	-72.2	-20.8	176.7	0	0	0	0	0	113.1	E628 I629	E628-A632 PolarHBondContact O-N 3.36Å; I629-A632 WeakPolarHBondContact O-CB 3.41Å; I629-A632 PolarHBondContact O-N 2.89Å
633	G	79.3	Confident	90	Very high	46 Å²	46	49 Å²	49	47%	0.474	28%	0.275	S	S	.	.			trans	132.1	143.3	-176.8	0	0	0	0	0	111	A631	A631-G633 VanDerWaalsContact C-N 3.25Å; A631-G633 PolarHBondContact O-N 3.46Å
634	L	76.4	Confident	89.9	Confident	37 Å²	37	49 Å²	49	19%	0.194	28%	0.28	C	S	.	.			trans	-130.8	125.9	176.6	-65.1	166.7	0	0	0	108.3	L630 P636 V638 Y660 I688	L630-L634 HydrophobicContact CB-CD1 4.1Å; L630-L634 HydrophobicContact CD2-CD1 3.91Å; L630-L634 HydrophobicContact CD2-CD2 3.51Å; L630-L634 HydrophobicContact CD2-CG 4.25Å; L630-L634 HydrophobicContact CG-CD1 4.45Å; L634-P636 WeakPolarHBondContact O-CD 3.29Å; L634-V638 HydrophobicContact CB-CG2 4.43Å; L634-V638 HydrophobicContact CD2-CG1 4.48Å; L634-V638 HydrophobicContact CD2-CG2 3.96Å; L634-Y660 HydrophobicContact CD1-CD1 4.12Å; L634-Y660 HydrophobicContact CD1-CE1 3.83Å; L634-I688 HydrophobicContact CD1-CD1 4.04Å
635	D	83.6	Confident	89.9	Confident	122 Å²	122	47.9 Å²	47.9	65%	0.652	28%	0.28	S	S	*	.			trans	-91.4	100.1	164	-67.8	-38.5	0	0	0	107.3	S705	D635-S705 WeakPolarHBondContact O-CB 3.09Å; D635-S705 PolarHBondContact O-OG 3.26Å
636	P	83.4	Confident	89.9	Confident	75 Å²	75	53.8 Å²	53.8	49%	0.487	31%	0.306	S	S	.	.	S	Bend	trans	-65	147.6	178.9	26.8	-34.6	0	0	0	111.4	L634 E687	L634-P636 WeakPolarHBondContact O-CD 3.29Å; P636-E687 HydrophobicContact CB-CB 3.93Å; P636-E687 HydrophobicContact CB-CG 3.99Å; P636-E687 HydrophobicContact CG-CG 4.36Å
637	P	87.8	Confident	89.8	Confident	25 Å²	25	55.1 Å²	55.1	16%	0.162	32%	0.32	C	S	.	.			cis	-89	144	4.1	33.9	-32.5	0	0	0	113.5	L681 E687 I701 V704 S705	P637-L681 HydrophobicContact CB-CD1 3.9Å; P637-L681 HydrophobicContact CB-CD2 4.09Å; P637-L681 HydrophobicContact CB-CG 3.84Å; P637-E687 WeakPolarHBondContact CA-O 3.45Å; P637-I701 HydrophobicContact CG-CG2 3.98Å; P637-V704 WeakPolarHBondContact O-CG1 3.21Å; P637-S705 PolarHBondContact O-N 2.97Å
638	V	90.8	Very high	89.9	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	136.3	177.7	177.8	0	0	0	0	110.4	L634 E687 I688 L689 M706 I708	L634-V638 HydrophobicContact CB-CG2 4.43Å; L634-V638 HydrophobicContact CD2-CG1 4.48Å; L634-V638 HydrophobicContact CD2-CG2 3.96Å; V638-E687 PolarHBondContact N-O 3.45Å; V638-I688 WeakPolarHBondContact O-CA 3.4Å; V638-L689 PolarHBondContact O-N 3.29Å; V638-M706 WeakPolarHBondContact CA-O 3.28Å; V638-M706 HydrophobicContact CG1-CB 4.25Å; V638-M706 HydrophobicContact CG2-CB 4.15Å; V638-I708 HydrophobicContact CG1-CD1 4.02Å; V638-I708 HydrophobicContact CG1-CG1 4.22Å
639	I	92	Very high	89.9	Confident	4 Å²	4	50 Å²	50	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.1	176.3	-55.9	-179	0	0	0	110.2	F641 L689 A691 I701 V704 M706 V707 I708 R725	I639-F641 HydrophobicContact CB-CE2 4.34Å; I639-F641 HydrophobicContact CG2-CD2 3.91Å; I639-F641 HydrophobicContact CG2-CE1 4.34Å; I639-F641 HydrophobicContact CG2-CE2 3.52Å; I639-F641 HydrophobicContact CG2-CG 4.48Å; I639-F641 HydrophobicContact CG2-CZ 3.76Å; I639-L689 CarbonylContact C-O 3.51Å; I639-L689 WeakPolarHBondContact CA-O 3.22Å; I639-L689 HydrophobicContact CD1-CD2 4.26Å; I639-L689 HydrophobicContact CG1-CB 4.27Å; I639-L689 HydrophobicContact CG1-CD2 4.22Å; I639-L689 HydrophobicContact CG2-CD2 4.5Å; I639-A691 HydrophobicContact CG2-CB 4.45Å; I639-I701 HydrophobicContact CD1-CD1 3.86Å; I639-V704 HydrophobicContact CB-CG1 4.41Å; I639-V704 HydrophobicContact CD1-CG1 4.12Å; I639-V704 HydrophobicContact CD1-CG2 3.7Å; I639-V704 HydrophobicContact CG1-CG1 3.84Å; I639-V704 HydrophobicContact CG1-CG2 4.14Å; I639-M706 PolarHBondContact N-O 3.4Å; I639-M706 VanDerWaalsContact N-O 3.13Å; I639-V707 HydrophobicContact CB-CG2 4.25Å; I639-V707 CarbonylContact O-C 3.53Å; I639-V707 WeakPolarHBondContact O-CA 3.42Å; I639-I708 PolarHBondContact O-N 3.46Å; I639-R725 HydrophobicContact CD1-CB 4.2Å; I639-R725 HydrophobicContact CD1-CG 4.44Å
640	I	94.6	Very high	90.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	116.7	173.5	-53.2	178	0	0	0	109.1	L626 L651 L655 I688 L689 V690 A691 I708	L626-I640 HydrophobicContact CD1-CD1 4.02Å; L626-I640 HydrophobicContact CD2-CD1 4.27Å; I640-L651 HydrophobicContact CG2-CD2 3.88Å; I640-L655 HydrophobicContact CD1-CD1 3.76Å; I640-I688 HydrophobicContact CD1-CG2 3.43Å; I640-I688 VanDerWaalsContact CD1-CG2 3.43Å; I640-I688 HydrophobicContact CG1-CG2 3.8Å; I640-L689 PolarHBondContact N-O 3.04Å; I640-V690 HydrophobicContact CB-CG2 4.42Å; I640-V690 CarbonylContact O-C 3.57Å; I640-V690 WeakPolarHBondContact O-CA 3.47Å; I640-A691 PolarHBondContact O-N 3.39Å; I640-I708 CarbonylContact C-O 3.57Å; I640-I708 VanDerWaalsContact CA-O 3.29Å; I640-I708 WeakPolarHBondContact CA-O 3.36Å; I640-I708 HydrophobicContact CG1-CB 4.26Å; I640-I708 HydrophobicContact CG1-CD1 4.42Å
641	F	95.2	Very high	90.3	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.018	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	135.8	176.6	-76.3	-77.3	0	0	0	112.7	I639 A691 V707 I708 Y710 D711 R722 R725	I639-F641 HydrophobicContact CB-CE2 4.34Å; I639-F641 HydrophobicContact CG2-CD2 3.91Å; I639-F641 HydrophobicContact CG2-CE1 4.34Å; I639-F641 HydrophobicContact CG2-CE2 3.52Å; I639-F641 HydrophobicContact CG2-CG 4.48Å; I639-F641 HydrophobicContact CG2-CZ 3.76Å; F641-A691 WeakPolarHBondContact CA-O 3.47Å; F641-A691 HydrophobicContact CD1-CB 4.33Å; F641-A691 HydrophobicContact CE1-CB 4.18Å; F641-V707 HydrophobicContact CD2-CG1 3.86Å; F641-V707 HydrophobicContact CE2-CG1 4.08Å; F641-V707 HydrophobicContact CE2-CG2 4.36Å; F641-I708 PolarHBondContact N-O 3.01Å; F641-Y710 WeakPolarHBondContact O-CB 3.29Å; F641-Y710 PolarHBondContact O-N 3.38Å; F641-D711 PolarHBondContact O-N 2.87Å; F641-R722 HydrophobicContact CB-CG 4.5Å; F641-R722 HydrophobicContact CD1-CG 3.97Å; F641-R722 HydrophobicContact CD2-CB 3.77Å; F641-R722 HydrophobicContact CD2-CG 3.68Å; F641-R722 HydrophobicContact CE1-CG 4.04Å; F641-R722 HydrophobicContact CE2-CB 3.68Å; F641-R722 HydrophobicContact CE2-CG 3.75Å; F641-R722 HydrophobicContact CG-CB 4.38Å; F641-R722 HydrophobicContact CG-CG 3.79Å; F641-R722 HydrophobicContact CZ-CB 4.24Å; F641-R722 HydrophobicContact CZ-CG 3.93Å; F641-R725 HydrophobicContact CE2-CG 4.43Å; F641-R725 HydrophobicContact CZ-CG 4.3Å
642	V	95	Very high	90.5	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.012	30%	0.296	C	S	.	.			trans	-135.5	149.4	175.4	-66.5	0	0	0	0	110.5	A648 L651 V690 A691 T692 Y710 D711	V642-A648 HydrophobicContact CG2-CB 3.53Å; V642-L651 HydrophobicContact CG1-CD2 3.74Å; V642-V690 HydrophobicContact CG1-CG1 4.5Å; V642-V690 HydrophobicContact CG2-CG1 4.16Å; V642-A691 PolarHBondContact N-O 3.05Å; V642-T692 HydrophobicContact CG2-CG2 4.29Å; V642-T692 WeakPolarHBondContact O-CA 3.48Å; V642-Y710 HydrophobicContact CG1-CD1 3.87Å; V642-Y710 HydrophobicContact CG1-CG 4.19Å; V642-D711 WeakPolarHBondContact CA-OD2 3.32Å; V642-D711 WeakPolarHBondContact CB-OD2 3.44Å
643	N	93	Very high	90.9	Very high	48 Å²	48	53 Å²	53	26%	0.257	29%	0.286	S	S	.	.	S	Bend	trans	-80.8	-20.3	-172	-72.2	-8.9	0	0	0	113.4	D711 M712 R722	N643-D711 HydrophobicContact CB-CB 4.04Å; N643-D711 VanDerWaalsContact CG-CB 3.5Å; N643-D711 PolarHBondContact N-OD2 3.13Å; N643-M712 PolarHBondContact ND2-O 3.3Å; N643-M712 PolarHBondContact OD1-O 3.02Å; N643-R722 PolarHBondContact OD1-NH2 3.26Å
644	Q	92.1	Very high	91.6	Very high	134 Å²	134	51.4 Å²	51.4	63%	0.626	27%	0.269	S	S	*	.			trans	-126.6	137.5	-174.3	-59.5	-168.1	27.4	0	0	113.2	K646 G647 A648	Q644-K646 VanDerWaalsContact C-N 3.28Å; Q644-K646 PolarHBondContact O-N 3.34Å; Q644-G647 WeakPolarHBondContact O-CA 3.39Å; Q644-G647 PolarHBondContact O-N 3.24Å; Q644-A648 PolarHBondContact O-N 3.09Å; Q644-A648 VanDerWaalsContact O-N 3.1Å
645	K	92.7	Very high	92.4	Very high	130 Å²	130	49.8 Å²	49.8	57%	0.565	26%	0.261	S	S	*	.	H	α-helix	trans	-54	-39.9	176.8	64.6	-177.5	179.5	-177.5	0	113.8	A648 D649 H666	K645-A648 PolarHBondContact O-N 3.29Å; K645-D649 PolarHBondContact O-N 2.65Å; K645-H666 HydrophobicContact CB-CB 4.14Å; K645-H666 PolarHBondContact O-CD2 3.38Å
646	K	93.6	Very high	92.9	Very high	157 Å²	157	48.6 Å²	48.6	68%	0.683	25%	0.252	S	S	*	.	H	α-helix	trans	-65.6	-38.6	176.5	-69.1	-175.2	177.8	-178.9	0	111.8	Q644 A648 V650	Q644-K646 VanDerWaalsContact C-N 3.28Å; Q644-K646 PolarHBondContact O-N 3.34Å; K646-A648 VanDerWaalsContact C-N 3.34Å; K646-V650 VanDerWaalsContact O-CG2 3.32Å; K646-V650 WeakPolarHBondContact O-CG2 3.49Å; K646-V650 PolarHBondContact O-N 3.07Å; K646-V650 VanDerWaalsContact O-N 3.12Å
647	G	92.8	Very high	93.4	Very high	29 Å²	29	53.8 Å²	53.8	30%	0.299	27%	0.266	S	S	.	.	H	α-helix	trans	-61.3	-43	175	0	0	0	0	0	111.6	Q644 D649 V650 L651	Q644-G647 WeakPolarHBondContact O-CA 3.39Å; Q644-G647 PolarHBondContact O-N 3.24Å; G647-D649 PolarHBondContact O-N 2.84Å; G647-V650 PolarHBondContact O-N 3.34Å; G647-L651 WeakPolarHBondContact O-CB 3.39Å; G647-L651 PolarHBondContact O-N 3.47Å
648	A	93.6	Very high	93.6	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.1	-48.5	178.5	0	0	0	0	0	112.8	V642 Q644 K645 K646 V650 L651 A652 V664 V690 T692	V642-A648 HydrophobicContact CG2-CB 3.53Å; Q644-A648 PolarHBondContact O-N 3.09Å; Q644-A648 VanDerWaalsContact O-N 3.1Å; K645-A648 PolarHBondContact O-N 3.29Å; K646-A648 VanDerWaalsContact C-N 3.34Å; A648-V650 PolarHBondContact O-N 3.16Å; A648-L651 PolarHBondContact O-N 3Å; A648-A652 WeakPolarHBondContact O-CB 3.49Å; A648-A652 PolarHBondContact O-N 3.03Å; A648-V664 HydrophobicContact CB-CG1 3.91Å; A648-V690 HydrophobicContact CB-CG1 3.94Å; A648-T692 HydrophobicContact CB-CG2 4.45Å
649	D	94.7	Very high	93.6	Very high	45 Å²	45	60 Å²	60	24%	0.241	31%	0.313	C	S	.	.	H	α-helix	trans	-61.7	-42.1	176.9	-88.2	-35.1	0	0	0	112.9	K645 G647 K653 H666 K669	K645-D649 PolarHBondContact O-N 2.65Å; G647-D649 PolarHBondContact O-N 2.84Å; D649-K653 WeakPolarHBondContact O-CB 3.46Å; D649-K653 WeakPolarHBondContact O-CD 3.26Å; D649-K653 VanDerWaalsContact O-CG 3.23Å; D649-K653 WeakPolarHBondContact O-CG 3.5Å; D649-K653 PolarHBondContact O-N 3.37Å; D649-H666 IonicContact OD1-NE2 2.7Å; D649-H666 IonicContact OD2-NE2 3.73Å; D649-H666 PolarHBondContact OD2-NE2 3.16Å; D649-K669 IonicContact OD1-NZ 3.61Å; D649-K669 PolarHBondContact OD1-NZ 3.09Å; D649-K669 IonicContact OD2-NZ 3.35Å
650	V	95.4	Very high	93.6	Very high	106 Å²	106	62.3 Å²	62.3	64%	0.642	32%	0.322	S	S	*	.	H	α-helix	trans	-70.7	-41.5	180	171.7	0	0	0	0	111	K646 G647 A648 G654	K646-V650 VanDerWaalsContact O-CG2 3.32Å; K646-V650 WeakPolarHBondContact O-CG2 3.49Å; K646-V650 PolarHBondContact O-N 3.07Å; K646-V650 VanDerWaalsContact O-N 3.12Å; G647-V650 PolarHBondContact O-N 3.34Å; A648-V650 PolarHBondContact O-N 3.16Å; V650-G654 PolarHBondContact O-N 3.02Å
651	L	94.7	Very high	93.5	Very high	17 Å²	17	64.4 Å²	64.4	9%	0.089	34%	0.337	C	S	.	.	H	α-helix	trans	-66.2	-49.1	-179.3	-174.2	59	0	0	0	111.2	L626 I640 V642 G647 A648 K653 G654 L655 V690 Y710	L626-L651 HydrophobicContact CD2-CD1 3.76Å; L626-L651 HydrophobicContact CD2-CD2 4.32Å; L626-L651 HydrophobicContact CD2-CG 4.4Å; I640-L651 HydrophobicContact CG2-CD2 3.88Å; V642-L651 HydrophobicContact CG1-CD2 3.74Å; G647-L651 WeakPolarHBondContact O-CB 3.39Å; G647-L651 PolarHBondContact O-N 3.47Å; A648-L651 PolarHBondContact O-N 3Å; L651-K653 PolarHBondContact O-N 3.48Å; L651-G654 CarbonylContact O-C 3.58Å; L651-G654 WeakPolarHBondContact O-CA 3.18Å; L651-G654 PolarHBondContact O-N 2.82Å; L651-L655 HydrophobicContact CG-CD1 4.39Å; L651-L655 WeakPolarHBondContact O-CG 3.44Å; L651-L655 PolarHBondContact O-N 3.25Å; L651-V690 HydrophobicContact CB-CG1 4.4Å; L651-V690 HydrophobicContact CD2-CG1 4.17Å; L651-Y710 HydrophobicContact CD1-CD2 4.44Å; L651-Y710 HydrophobicContact CD1-CE2 4.06Å; L651-Y710 HydrophobicContact CD2-CD1 4.22Å; L651-Y710 HydrophobicContact CD2-CD2 3.98Å; L651-Y710 HydrophobicContact CD2-CE2 4.34Å; L651-Y710 HydrophobicContact CD2-CG 3.9Å
652	A	94.3	Very high	93.4	Very high	3 Å²	3	64.2 Å²	64.2	3%	0.025	34%	0.336	C	S	.	.	H	α-helix	trans	-62.5	-43.3	178.1	0	0	0	0	0	112.5	A648 G654 L655 E656 A662 V664 V690	A648-A652 WeakPolarHBondContact O-CB 3.49Å; A648-A652 PolarHBondContact O-N 3.03Å; A652-G654 PolarHBondContact O-N 3.3Å; A652-L655 PolarHBondContact O-N 3.32Å; A652-E656 WeakPolarHBondContact O-CG 3.35Å; A652-E656 PolarHBondContact O-N 2.75Å; A652-A662 HydrophobicContact CB-CB 4.27Å; A652-V664 HydrophobicContact CB-CG2 3.15Å; A652-V690 HydrophobicContact CB-CB 4.31Å; A652-V690 HydrophobicContact CB-CG2 3.95Å
653	K	94.5	Very high	93.3	Very high	128 Å²	128	64.9 Å²	64.9	56%	0.557	34%	0.341	S	S	*	.	H	α-helix	trans	-60.6	-31	171.9	-73.9	174.1	-179.3	178.2	0	112.5	D649 L651 K657	D649-K653 WeakPolarHBondContact O-CB 3.46Å; D649-K653 WeakPolarHBondContact O-CD 3.26Å; D649-K653 VanDerWaalsContact O-CG 3.23Å; D649-K653 WeakPolarHBondContact O-CG 3.5Å; D649-K653 PolarHBondContact O-N 3.37Å; L651-K653 PolarHBondContact O-N 3.48Å; K653-K657 WeakPolarHBondContact O-CB 3.47Å; K653-K657 VanDerWaalsContact O-CG 3.25Å; K653-K657 WeakPolarHBondContact O-CG 3.48Å; K653-K657 PolarHBondContact O-N 3.24Å
654	G	93.8	Very high	93.3	Very high	12 Å²	12	63.5 Å²	63.5	12%	0.124	33%	0.334	C	S	.	.	H	α-helix	trans	-69.5	-36.1	173	0	0	0	0	0	113.2	V650 L651 A652 L658	V650-G654 PolarHBondContact O-N 3.02Å; L651-G654 CarbonylContact O-C 3.58Å; L651-G654 WeakPolarHBondContact O-CA 3.18Å; L651-G654 PolarHBondContact O-N 2.82Å; A652-G654 PolarHBondContact O-N 3.3Å; G654-L658 WeakPolarHBondContact O-CD1 3.32Å; G654-L658 WeakPolarHBondContact O-CG 3.13Å
655	L	93.8	Very high	93.3	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.016	30%	0.304	C	S	.	.	H	α-helix	trans	-75.3	-45	177	-67.8	174.6	0	0	0	112.1	L626 L627 L630 I640 L651 A652 K657 L658 G659 Y660 A662 I688 V690	L626-L655 HydrophobicContact CD2-CD2 4.22Å; L627-L655 HydrophobicContact CD2-CD2 4.16Å; L630-L655 HydrophobicContact CD1-CD2 3.41Å; L630-L655 VanDerWaalsContact CD1-CD2 3.41Å; I640-L655 HydrophobicContact CD1-CD1 3.76Å; L651-L655 HydrophobicContact CG-CD1 4.39Å; L651-L655 WeakPolarHBondContact O-CG 3.44Å; L651-L655 PolarHBondContact O-N 3.25Å; A652-L655 PolarHBondContact O-N 3.32Å; L655-K657 VanDerWaalsContact C-N 3.29Å; L655-K657 PolarHBondContact O-N 3.09Å; L655-L658 CarbonylContact O-C 3.59Å; L655-L658 WeakPolarHBondContact O-CA 3.3Å; L655-L658 PolarHBondContact O-N 2.86Å; L655-G659 PolarHBondContact O-N 3.34Å; L655-Y660 HydrophobicContact CD2-CD2 4.25Å; L655-Y660 PolarHBondContact O-N 2.78Å; L655-Y660 VanDerWaalsContact O-N 3.07Å; L655-A662 HydrophobicContact CB-CB 3.93Å; L655-A662 HydrophobicContact CD1-CB 4.24Å; L655-I688 HydrophobicContact CD1-CG2 4.19Å; L655-V690 HydrophobicContact CD1-CG2 4.13Å
656	E	93.5	Very high	93.1	Very high	98 Å²	98	51.4 Å²	51.4	46%	0.458	28%	0.279	S	S	.	.	H	α-helix	trans	-59.8	-38.8	175.5	-70.6	-174.3	135.4	0	0	111.6	A652 L658 G659 Y660 A662 K686	A652-E656 WeakPolarHBondContact O-CG 3.35Å; A652-E656 PolarHBondContact O-N 2.75Å; E656-L658 PolarHBondContact O-N 2.81Å; E656-G659 PolarHBondContact O-N 3.16Å; E656-G659 VanDerWaalsContact O-N 3.09Å; E656-Y660 WeakPolarHBondContact CA-O 3.35Å; E656-A662 HydrophobicContact CG-CB 4.29Å; E656-K686 IonicContact OE1-NZ 3.23Å; E656-K686 PolarHBondContact OE1-NZ 2.92Å
657	K	93.6	Very high	92.5	Very high	183 Å²	183	46 Å²	46	80%	0.796	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.1	173.2	-80.2	-178.7	178.3	-168.6	0	114.7	K653 L655	K653-K657 WeakPolarHBondContact O-CB 3.47Å; K653-K657 VanDerWaalsContact O-CG 3.25Å; K653-K657 WeakPolarHBondContact O-CG 3.48Å; K653-K657 PolarHBondContact O-N 3.24Å; L655-K657 VanDerWaalsContact C-N 3.29Å; L655-K657 PolarHBondContact O-N 3.09Å
658	L	91.6	Very high	92.1	Very high	89 Å²	89	47.3 Å²	47.3	47%	0.466	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	4.8	177.1	-67.1	169.1	0	0	0	112.2	L627 G654 L655 E656 Y660	L627-L658 HydrophobicContact CD1-CD1 3.64Å; L627-L658 HydrophobicContact CD2-CD1 3.47Å; L627-L658 VanDerWaalsContact CD2-CD1 3.47Å; L627-L658 HydrophobicContact CG-CD1 4.2Å; G654-L658 WeakPolarHBondContact O-CD1 3.32Å; G654-L658 WeakPolarHBondContact O-CG 3.13Å; L655-L658 CarbonylContact O-C 3.59Å; L655-L658 WeakPolarHBondContact O-CA 3.3Å; L655-L658 PolarHBondContact O-N 2.86Å; E656-L658 PolarHBondContact O-N 2.81Å; L658-Y660 HydrophobicContact CB-CD2 4.12Å; L658-Y660 HydrophobicContact CB-CE2 4.44Å
659	G	91	Very high	91.7	Very high	67 Å²	67	49.3 Å²	49.3	69%	0.691	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.9	1.4	178.4	0	0	0	0	0	115.1	L655 E656	L655-G659 PolarHBondContact O-N 3.34Å; E656-G659 PolarHBondContact O-N 3.16Å; E656-G659 VanDerWaalsContact O-N 3.09Å
660	Y	91.8	Very high	91.2	Very high	53 Å²	53	49.1 Å²	49.1	21%	0.208	30%	0.299	C	S	.	.			trans	-82.1	135.5	178.3	-70.2	-78.3	0	0	0	112.2	L627 L630 L634 L655 E656 L658 A662 I688	L627-Y660 HydrophobicContact CD2-CE2 4.32Å; L630-Y660 HydrophobicContact CB-CE1 3.95Å; L630-Y660 HydrophobicContact CB-CE2 4.31Å; L630-Y660 WeakPolarHBondContact CB-OH 3.5Å; L630-Y660 HydrophobicContact CD1-CD2 4.32Å; L630-Y660 HydrophobicContact CD1-CE1 4.39Å; L630-Y660 HydrophobicContact CD1-CE2 4.18Å; L630-Y660 HydrophobicContact CD1-CG 4.48Å; L630-Y660 PolarHBondContact O-OH 3.4Å; L634-Y660 HydrophobicContact CD1-CD1 4.12Å; L634-Y660 HydrophobicContact CD1-CE1 3.83Å; L655-Y660 HydrophobicContact CD2-CD2 4.25Å; L655-Y660 PolarHBondContact O-N 2.78Å; L655-Y660 VanDerWaalsContact O-N 3.07Å; E656-Y660 WeakPolarHBondContact CA-O 3.35Å; L658-Y660 HydrophobicContact CB-CD2 4.12Å; L658-Y660 HydrophobicContact CB-CE2 4.44Å; Y660-A662 VanDerWaalsContact C-N 3.27Å; Y660-A662 PolarHBondContact O-N 3.07Å; Y660-I688 HydrophobicContact CD1-CD1 4.03Å; Y660-I688 HydrophobicContact CG-CD1 4.23Å
661	S	92.1	Very high	90.3	Very high	44 Å²	44	45.9 Å²	45.9	31%	0.308	28%	0.277	S	S	.	.			trans	-77.5	70.9	179.5	-70.3	0	0	0	0	112.2	K686 E687 I688	S661-K686 WeakPolarHBondContact O-CD 3.34Å; S661-E687 PolarHBondContact O-N 2.98Å; S661-I688 PolarHBondContact O-N 3.46Å
662	A	93.4	Very high	89.9	Confident	0 Å²	0	53 Å²	53	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	153.6	-179.3	0	0	0	0	0	114	A652 L655 E656 Y660 K686 I688	A652-A662 HydrophobicContact CB-CB 4.27Å; L655-A662 HydrophobicContact CB-CB 3.93Å; L655-A662 HydrophobicContact CD1-CB 4.24Å; E656-A662 HydrophobicContact CG-CB 4.29Å; Y660-A662 VanDerWaalsContact C-N 3.27Å; Y660-A662 PolarHBondContact O-N 3.07Å; A662-K686 WeakPolarHBondContact O-CD 3.42Å; A662-K686 VanDerWaalsContact O-CE 3.32Å; A662-K686 WeakPolarHBondContact O-CE 3.24Å; A662-K686 PolarHBondContact O-NZ 2.98Å; A662-I688 CarbonylContact C-O 3.56Å; A662-I688 VanDerWaalsContact CA-O 3.27Å; A662-I688 WeakPolarHBondContact CA-O 3.26Å; A662-I688 HydrophobicContact CB-CB 4.22Å; A662-I688 HydrophobicContact CB-CG2 4.42Å
663	V	93.5	Very high	89.6	Confident	17 Å²	17	58.2 Å²	58.2	10%	0.103	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	152.4	170.4	72.8	0	0	0	0	111	A677 K686 I688 L689 V690	V663-A677 HydrophobicContact CB-CB 4.43Å; V663-A677 HydrophobicContact CG1-CB 4.03Å; V663-A677 HydrophobicContact CG2-CB 3.52Å; V663-K686 HydrophobicContact CB-CB 4.41Å; V663-K686 HydrophobicContact CB-CD 4.45Å; V663-K686 HydrophobicContact CB-CG 4.17Å; V663-K686 HydrophobicContact CG1-CB 4.29Å; V663-I688 PolarHBondContact N-O 3.03Å; V663-L689 HydrophobicContact CG1-CD1 3.78Å; V663-V690 PolarHBondContact O-N 3.33Å
664	V	93.6	Very high	89.1	Confident	19 Å²	19	54.2 Å²	54.2	12%	0.115	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.4	-173.4	-179.7	0	0	0	0	111.8	A648 A652 H666 V690	A648-V664 HydrophobicContact CB-CG1 3.91Å; A652-V664 HydrophobicContact CB-CG2 3.15Å; V664-H666 VanDerWaalsContact CG1-CD2 3.43Å; V664-H666 WeakPolarHBondContact CG1-CD2 3.23Å; V664-V690 WeakPolarHBondContact CA-O 3.36Å
665	L	90.5	Very high	88.6	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	106	175.9	-154.4	168.1	0	0	0	111	R674 A677 L678 L689 V690 A691 T692 A695 I699	L665-R674 HydrophobicContact CD2-CG 4.47Å; L665-R674 HydrophobicContact CG-CG 4.49Å; L665-A677 HydrophobicContact CD1-CB 4.43Å; L665-L678 HydrophobicContact CD1-CD1 4.37Å; L665-L678 HydrophobicContact CD1-CD2 3.62Å; L665-L678 HydrophobicContact CD1-CG 3.76Å; L665-L689 HydrophobicContact CB-CD1 3.71Å; L665-L689 HydrophobicContact CD1-CD1 4.17Å; L665-V690 PolarHBondContact N-O 3.08Å; L665-A691 VanDerWaalsContact O-CA 3.3Å; L665-A691 WeakPolarHBondContact O-CA 3.47Å; L665-T692 PolarHBondContact O-N 3.36Å; L665-A695 HydrophobicContact CD2-CB 3.48Å; L665-A695 VanDerWaalsContact CD2-CB 3.48Å; L665-I699 HydrophobicContact CD1-CD1 3.74Å; L665-I699 HydrophobicContact CD2-CD1 4.27Å
666	H	89.5	Confident	88.4	Confident	8 Å²	8	63.3 Å²	63.3	4%	0.037	35%	0.35	C	S	.	.			trans	-145.3	163.5	179.8	64.3	41.5	0	0	0	110.8	K645 D649 V664 G668 K669 T692	K645-H666 HydrophobicContact CB-CB 4.14Å; K645-H666 PolarHBondContact O-CD2 3.38Å; D649-H666 IonicContact OD1-NE2 2.7Å; D649-H666 IonicContact OD2-NE2 3.73Å; D649-H666 PolarHBondContact OD2-NE2 3.16Å; V664-H666 VanDerWaalsContact CG1-CD2 3.43Å; V664-H666 WeakPolarHBondContact CG1-CD2 3.23Å; H666-G668 VanDerWaalsContact CE1-C 3.49Å; H666-G668 WeakPolarHBondContact ND1-CA 3.19Å; H666-G668 PolarHBondContact ND1-N 2.93Å; H666-G668 VanDerWaalsContact ND1-N 3.13Å; H666-G668 PolarHBondContact O-N 3.48Å; H666-K669 PolarHBondContact CE1-N 3.25Å; H666-K669 PolarHBondContact ND1-N 3.14Å; H666-K669 WeakPolarHBondContact NE2-CE 3.32Å; H666-K669 PolarHBondContact O-N 2.93Å; H666-T692 HydrophobicContact CB-CG2 3.91Å; H666-T692 WeakPolarHBondContact CB-OG1 3.48Å
667	G	80.9	Confident	88.2	Confident	44 Å²	44	58.7 Å²	58.7	45%	0.454	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-29.5	-176.3	0	0	0	0	0	115.9	R674	G667-R674 PolarHBondContact O-NH2 3.11Å
668	G	84.6	Confident	87.7	Confident	56 Å²	56	51.3 Å²	51.3	58%	0.577	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	4.4	176.2	0	0	0	0	0	117.3	H666	H666-G668 VanDerWaalsContact CE1-C 3.49Å; H666-G668 WeakPolarHBondContact ND1-CA 3.19Å; H666-G668 PolarHBondContact ND1-N 2.93Å; H666-G668 VanDerWaalsContact ND1-N 3.13Å; H666-G668 PolarHBondContact O-N 3.48Å
669	K	85	Confident	87.5	Confident	42 Å²	42	49.9 Å²	49.9	18%	0.183	30%	0.298	C	S	.	.	S	Bend	trans	-84.4	139	172.1	-66.1	-56	-178.7	-167.8	0	109.8	D649 H666 Q673 R674	D649-K669 IonicContact OD1-NZ 3.61Å; D649-K669 PolarHBondContact OD1-NZ 3.09Å; D649-K669 IonicContact OD2-NZ 3.35Å; H666-K669 PolarHBondContact CE1-N 3.25Å; H666-K669 PolarHBondContact ND1-N 3.14Å; H666-K669 WeakPolarHBondContact NE2-CE 3.32Å; H666-K669 PolarHBondContact O-N 2.93Å; K669-Q673 HydrophobicContact CB-CB 4.34Å; K669-R674 HydrophobicContact CB-CG 4.05Å; K669-R674 PolarHBondContact O-NE 3.47Å; K669-R674 VanDerWaalsContact O-NE 3.14Å
670	G	84.3	Confident	87.4	Confident	41 Å²	41	46.8 Å²	46.8	42%	0.423	27%	0.266	S	S	.	.			trans	-64	158.9	172.2	0	0	0	0	0	111.8	E672 Q673 R674	G670-E672 PolarHBondContact O-N 3.24Å; G670-Q673 WeakPolarHBondContact O-CB 3.44Å; G670-Q673 PolarHBondContact O-N 2.62Å; G670-Q673 VanDerWaalsContact O-N 3.14Å; G670-R674 PolarHBondContact O-N 3.04Å; G670-R674 VanDerWaalsContact O-N 3.14Å
671	Q	77.3	Confident	87.2	Confident	39 Å²	39	44.5 Å²	44.5	18%	0.182	26%	0.257	C	S	.	.	H	α-helix	trans	-59.3	-50.5	-171.5	-175.3	65.9	21.8	0	0	112.8	R450 Q673 R674 E675	R450-Q671 VanDerWaalsContact CZ-OE1 3.23Å; R450-Q671 VanDerWaalsContact NE-CD 3.31Å; Q671-Q673 PolarHBondContact O-N 3.2Å; Q671-Q673 VanDerWaalsContact O-N 3.16Å; Q671-R674 WeakPolarHBondContact O-CA 3.34Å; Q671-R674 WeakPolarHBondContact O-CB 3.38Å; Q671-R674 PolarHBondContact O-N 3.29Å; Q671-E675 HydrophobicContact CG-CG 4.39Å; Q671-E675 WeakPolarHBondContact CG-OE1 3.27Å; Q671-E675 PolarHBondContact NE2-OE1 3.45Å; Q671-E675 PolarHBondContact O-N 3.36Å
672	E	85.4	Confident	86.9	Confident	167 Å²	167	49 Å²	49	78%	0.78	27%	0.271	S	S	*	.	H	α-helix	trans	-55.2	-35.8	178.6	-62.3	172.5	176.6	0	0	111.7	G670 Y676	G670-E672 PolarHBondContact O-N 3.24Å; E672-Y676 WeakPolarHBondContact O-CB 3.37Å; E672-Y676 PolarHBondContact O-N 3.11Å
673	Q	87.9	Confident	86.6	Confident	111 Å²	111	53.1 Å²	53.1	52%	0.519	30%	0.3	S	S	.	.	H	α-helix	trans	-71.2	-33.2	176.7	-62.6	176.4	-10	0	0	112.5	K669 G670 Q671 A677	K669-Q673 HydrophobicContact CB-CB 4.34Å; G670-Q673 WeakPolarHBondContact O-CB 3.44Å; G670-Q673 PolarHBondContact O-N 2.62Å; G670-Q673 VanDerWaalsContact O-N 3.14Å; Q671-Q673 PolarHBondContact O-N 3.2Å; Q671-Q673 VanDerWaalsContact O-N 3.16Å; Q673-A677 VanDerWaalsContact O-CB 3.24Å; Q673-A677 WeakPolarHBondContact O-CB 3.26Å; Q673-A677 PolarHBondContact O-N 2.94Å
674	R	84.1	Confident	86.2	Confident	44 Å²	44	54.8 Å²	54.8	17%	0.166	32%	0.321	C	S	.	.	H	α-helix	trans	-70.6	-45.7	174.1	-61.9	-178.7	-170.2	-163.2	4.4	110.9	E451 L665 G667 K669 G670 Q671 A677 L678	E451-R674 IonicContact OE1-CZ 2.98Å; E451-R674 IonicContact OE1-NH1 3.61Å; E451-R674 PolarHBondContact OE1-NH1 3.04Å; L665-R674 HydrophobicContact CD2-CG 4.47Å; L665-R674 HydrophobicContact CG-CG 4.49Å; G667-R674 PolarHBondContact O-NH2 3.11Å; K669-R674 HydrophobicContact CB-CG 4.05Å; K669-R674 PolarHBondContact O-NE 3.47Å; K669-R674 VanDerWaalsContact O-NE 3.14Å; G670-R674 PolarHBondContact O-N 3.04Å; G670-R674 VanDerWaalsContact O-N 3.14Å; Q671-R674 WeakPolarHBondContact O-CA 3.34Å; Q671-R674 WeakPolarHBondContact O-CB 3.38Å; Q671-R674 PolarHBondContact O-N 3.29Å; R674-A677 PolarHBondContact O-N 3.18Å; R674-L678 WeakPolarHBondContact O-CG 3.31Å; R674-L678 PolarHBondContact O-N 3.46Å
675	E	83.7	Confident	86.1	Confident	86 Å²	86	59.4 Å²	59.4	40%	0.402	34%	0.341	S	S	.	.	H	α-helix	trans	-63.7	-44.7	178.2	-71.4	172.6	-175.3	0	0	110.7	Q454 Q671 A677 L678 A679	Q454-E675 PolarHBondContact NE2-OE1 3.44Å; Q671-E675 HydrophobicContact CG-CG 4.39Å; Q671-E675 WeakPolarHBondContact CG-OE1 3.27Å; Q671-E675 PolarHBondContact NE2-OE1 3.45Å; Q671-E675 PolarHBondContact O-N 3.36Å; E675-A677 PolarHBondContact O-N 3.4Å; E675-L678 PolarHBondContact O-N 3.39Å; E675-A679 VanDerWaalsContact O-CB 3.25Å; E675-A679 WeakPolarHBondContact O-CB 3.46Å; E675-A679 PolarHBondContact O-N 2.94Å
676	Y	89.3	Confident	86.1	Confident	121 Å²	121	61 Å²	61	48%	0.475	35%	0.348	S	S	.	.	H	α-helix	trans	-57.6	-46.8	170.4	176.8	-103.2	0	0	0	112.3	E672 L678 A679 S680	E672-Y676 WeakPolarHBondContact O-CB 3.37Å; E672-Y676 PolarHBondContact O-N 3.11Å; Y676-L678 PolarHBondContact O-N 3.11Å; Y676-A679 PolarHBondContact O-N 2.97Å; Y676-S680 VanDerWaalsContact CE2-OG 3.32Å; Y676-S680 WeakPolarHBondContact CE2-OG 3.25Å; Y676-S680 VanDerWaalsContact CZ-OG 3.27Å; Y676-S680 WeakPolarHBondContact O-CB 3.38Å; Y676-S680 PolarHBondContact O-N 2.97Å; Y676-S680 PolarHBondContact O-OG 3.15Å
677	A	88.5	Confident	86.2	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-60.4	-42.9	179.1	0	0	0	0	0	112.9	V663 L665 Q673 R674 E675 L681	V663-A677 HydrophobicContact CB-CB 4.43Å; V663-A677 HydrophobicContact CG1-CB 4.03Å; V663-A677 HydrophobicContact CG2-CB 3.52Å; L665-A677 HydrophobicContact CD1-CB 4.43Å; Q673-A677 VanDerWaalsContact O-CB 3.24Å; Q673-A677 WeakPolarHBondContact O-CB 3.26Å; Q673-A677 PolarHBondContact O-N 2.94Å; R674-A677 PolarHBondContact O-N 3.18Å; E675-A677 PolarHBondContact O-N 3.4Å; A677-L681 WeakPolarHBondContact O-CB 3.46Å; A677-L681 PolarHBondContact O-N 3.2Å
678	L	84.5	Confident	86.7	Confident	29 Å²	29	62.1 Å²	62.1	15%	0.152	34%	0.342	C	S	.	.	H	α-helix	trans	-69.9	-40.2	177	-67.7	175.5	0	0	0	112	L665 R674 E675 Y676 L681 K682 I699 I701	L665-L678 HydrophobicContact CD1-CD1 4.37Å; L665-L678 HydrophobicContact CD1-CD2 3.62Å; L665-L678 HydrophobicContact CD1-CG 3.76Å; R674-L678 WeakPolarHBondContact O-CG 3.31Å; R674-L678 PolarHBondContact O-N 3.46Å; E675-L678 PolarHBondContact O-N 3.39Å; Y676-L678 PolarHBondContact O-N 3.11Å; L678-L681 PolarHBondContact O-N 3.33Å; L678-K682 WeakPolarHBondContact O-CB 3.46Å; L678-K682 VanDerWaalsContact O-CG 3.3Å; L678-K682 WeakPolarHBondContact O-CG 3.4Å; L678-K682 PolarHBondContact O-N 3.46Å; L678-I699 HydrophobicContact CD2-CD1 4.13Å; L678-I699 HydrophobicContact CD2-CG1 4.34Å; L678-I699 HydrophobicContact CD2-CG2 3.57Å; L678-I701 HydrophobicContact CD2-CD1 4.32Å; L678-I701 HydrophobicContact CD2-CG1 4.45Å
679	A	86.2	Confident	87.1	Confident	58 Å²	58	59.5 Å²	59.5	48%	0.479	31%	0.314	S	S	.	.	H	α-helix	trans	-66.5	-44.7	177.4	0	0	0	0	0	112	E675 Y676 L681 K682 S683	E675-A679 VanDerWaalsContact O-CB 3.25Å; E675-A679 WeakPolarHBondContact O-CB 3.46Å; E675-A679 PolarHBondContact O-N 2.94Å; Y676-A679 PolarHBondContact O-N 2.97Å; A679-L681 VanDerWaalsContact C-N 3.31Å; A679-L681 PolarHBondContact O-N 2.85Å; A679-K682 PolarHBondContact O-N 3.02Å; A679-S683 WeakPolarHBondContact O-CB 3.41Å; A679-S683 PolarHBondContact O-N 3.4Å; A679-S683 PolarHBondContact O-OG 3Å
680	S	90.2	Very high	87.6	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.014	31%	0.306	C	S	.	.	H	α-helix	trans	-64.3	-32.3	176.6	-69.8	0	0	0	0	113.2	Y676 S683 G684 Q685 K686	Y676-S680 VanDerWaalsContact CE2-OG 3.32Å; Y676-S680 WeakPolarHBondContact CE2-OG 3.25Å; Y676-S680 VanDerWaalsContact CZ-OG 3.27Å; Y676-S680 WeakPolarHBondContact O-CB 3.38Å; Y676-S680 PolarHBondContact O-N 2.97Å; Y676-S680 PolarHBondContact O-OG 3.15Å; S680-S683 WeakPolarHBondContact CA-OG 3.49Å; S680-S683 PolarHBondContact O-OG 3.23Å; S680-G684 PolarHBondContact O-N 3.45Å; S680-Q685 PolarHBondContact O-N 2.8Å; S680-Q685 PolarHBondContact OG-OE1 3.14Å; S680-Q685 VanDerWaalsContact OG-OE1 3.06Å; S680-K686 PolarHBondContact O-N 3.39Å
681	L	87.2	Confident	88	Confident	6 Å²	6	55.5 Å²	55.5	3%	0.031	29%	0.286	C	S	.	.	H	α-helix	trans	-74.4	-42.8	173.2	-164.9	82.5	0	0	0	111.2	P637 A677 L678 A679 S683 G684 L689 I701	P637-L681 HydrophobicContact CB-CD1 3.9Å; P637-L681 HydrophobicContact CB-CD2 4.09Å; P637-L681 HydrophobicContact CB-CG 3.84Å; A677-L681 WeakPolarHBondContact O-CB 3.46Å; A677-L681 PolarHBondContact O-N 3.2Å; L678-L681 PolarHBondContact O-N 3.33Å; A679-L681 VanDerWaalsContact C-N 3.31Å; A679-L681 PolarHBondContact O-N 2.85Å; L681-S683 VanDerWaalsContact C-N 3.31Å; L681-S683 PolarHBondContact O-N 3Å; L681-G684 PolarHBondContact O-N 3.3Å; L681-L689 HydrophobicContact CD1-CB 4.09Å; L681-L689 HydrophobicContact CD2-CB 3.96Å; L681-L689 HydrophobicContact CD2-CD2 4.09Å; L681-I701 HydrophobicContact CD2-CD1 3.34Å; L681-I701 HydrophobicContact CD2-CG1 3.87Å; L681-I701 HydrophobicContact CD2-CG2 4.11Å
682	K	84.6	Confident	88.7	Confident	137 Å²	137	54.2 Å²	54.2	60%	0.596	28%	0.28	S	S	*	.	H	α-helix	trans	-65.4	-30	177.3	-76.9	177.9	178	-177.4	0	113.4	L678 A679 D700	L678-K682 WeakPolarHBondContact O-CB 3.46Å; L678-K682 VanDerWaalsContact O-CG 3.3Å; L678-K682 WeakPolarHBondContact O-CG 3.4Å; L678-K682 PolarHBondContact O-N 3.46Å; A679-K682 PolarHBondContact O-N 3.02Å; K682-D700 WeakPolarHBondContact CE-O 3.28Å
683	S	87.2	Confident	88.6	Confident	87 Å²	87	47.2 Å²	47.2	61%	0.608	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-3.8	175.3	63.9	0	0	0	0	114.1	A679 S680 L681 Q685	A679-S683 WeakPolarHBondContact O-CB 3.41Å; A679-S683 PolarHBondContact O-N 3.4Å; A679-S683 PolarHBondContact O-OG 3Å; S680-S683 WeakPolarHBondContact CA-OG 3.49Å; S680-S683 PolarHBondContact O-OG 3.23Å; L681-S683 VanDerWaalsContact C-N 3.31Å; L681-S683 PolarHBondContact O-N 3Å; S683-Q685 PolarHBondContact O-N 3.44Å
684	G	86.2	Confident	87.9	Confident	53 Å²	53	46.6 Å²	46.6	55%	0.546	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	73	5.2	-175.8	0	0	0	0	0	114.9	S680 L681 K686	S680-G684 PolarHBondContact O-N 3.45Å; L681-G684 PolarHBondContact O-N 3.3Å; G684-K686 VanDerWaalsContact C-N 3.27Å; G684-K686 PolarHBondContact O-N 3.41Å
685	Q	90.5	Very high	87.2	Confident	116 Å²	116	44.6 Å²	44.6	54%	0.542	24%	0.244	S	C	.	.	S	Bend	trans	-66	-32.4	175.4	-173.7	-174.2	25.5	0	0	112.1	S680 S683	S680-Q685 PolarHBondContact O-N 2.8Å; S680-Q685 PolarHBondContact OG-OE1 3.14Å; S680-Q685 VanDerWaalsContact OG-OE1 3.06Å; S683-Q685 PolarHBondContact O-N 3.44Å
686	K	90.7	Very high	86.2	Confident	35 Å²	35	40.7 Å²	40.7	15%	0.152	23%	0.227	C	C	.	.			trans	-116.8	140.6	171.7	-68.2	-71.4	-165.2	162.6	0	108.1	E656 S661 A662 V663 S680 G684	E656-K686 IonicContact OE1-NZ 3.23Å; E656-K686 PolarHBondContact OE1-NZ 2.92Å; S661-K686 WeakPolarHBondContact O-CD 3.34Å; A662-K686 WeakPolarHBondContact O-CD 3.42Å; A662-K686 VanDerWaalsContact O-CE 3.32Å; A662-K686 WeakPolarHBondContact O-CE 3.24Å; A662-K686 PolarHBondContact O-NZ 2.98Å; V663-K686 HydrophobicContact CB-CB 4.41Å; V663-K686 HydrophobicContact CB-CD 4.45Å; V663-K686 HydrophobicContact CB-CG 4.17Å; V663-K686 HydrophobicContact CG1-CB 4.29Å; S680-K686 PolarHBondContact O-N 3.39Å; G684-K686 VanDerWaalsContact C-N 3.27Å; G684-K686 PolarHBondContact O-N 3.41Å
687	E	91.2	Very high	85.3	Confident	74 Å²	74	36.2 Å²	36.2	35%	0.346	21%	0.21	S	C	.	.			trans	-102.2	-31.9	-174.1	-66.9	171.8	162.6	0	0	111.7	P636 P637 V638 S661	P636-E687 HydrophobicContact CB-CB 3.93Å; P636-E687 HydrophobicContact CB-CG 3.99Å; P636-E687 HydrophobicContact CG-CG 4.36Å; P637-E687 WeakPolarHBondContact CA-O 3.45Å; V638-E687 PolarHBondContact N-O 3.45Å; S661-E687 PolarHBondContact O-N 2.98Å
688	I	93.1	Very high	84	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	124.1	-172.1	-58.6	-180	0	0	0	110.3	L630 L634 V638 I640 L655 Y660 S661 A662 V663 V690	L630-I688 HydrophobicContact CD1-CD1 3.98Å; L630-I688 HydrophobicContact CD2-CD1 4.26Å; L634-I688 HydrophobicContact CD1-CD1 4.04Å; V638-I688 WeakPolarHBondContact O-CA 3.4Å; I640-I688 HydrophobicContact CD1-CG2 3.43Å; I640-I688 VanDerWaalsContact CD1-CG2 3.43Å; I640-I688 HydrophobicContact CG1-CG2 3.8Å; L655-I688 HydrophobicContact CD1-CG2 4.19Å; Y660-I688 HydrophobicContact CD1-CD1 4.03Å; Y660-I688 HydrophobicContact CG-CD1 4.23Å; S661-I688 PolarHBondContact O-N 3.46Å; A662-I688 CarbonylContact C-O 3.56Å; A662-I688 VanDerWaalsContact CA-O 3.27Å; A662-I688 WeakPolarHBondContact CA-O 3.26Å; A662-I688 HydrophobicContact CB-CB 4.22Å; A662-I688 HydrophobicContact CB-CG2 4.42Å; V663-I688 PolarHBondContact N-O 3.03Å; I688-V690 HydrophobicContact CG2-CG2 4.24Å
689	L	92.7	Very high	83.4	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	114.3	171.1	178.3	65.4	0	0	0	110.3	V638 I639 I640 V663 L665 L681 A691 I699 I701	V638-L689 PolarHBondContact O-N 3.29Å; I639-L689 CarbonylContact C-O 3.51Å; I639-L689 WeakPolarHBondContact CA-O 3.22Å; I639-L689 HydrophobicContact CD1-CD2 4.26Å; I639-L689 HydrophobicContact CG1-CB 4.27Å; I639-L689 HydrophobicContact CG1-CD2 4.22Å; I639-L689 HydrophobicContact CG2-CD2 4.5Å; I640-L689 PolarHBondContact N-O 3.04Å; V663-L689 HydrophobicContact CG1-CD1 3.78Å; L665-L689 HydrophobicContact CB-CD1 3.71Å; L665-L689 HydrophobicContact CD1-CD1 4.17Å; L681-L689 HydrophobicContact CD1-CB 4.09Å; L681-L689 HydrophobicContact CD2-CB 3.96Å; L681-L689 HydrophobicContact CD2-CD2 4.09Å; L689-A691 HydrophobicContact CG-CB 4.36Å; L689-I699 HydrophobicContact CD2-CD1 4.15Å; L689-I701 HydrophobicContact CD2-CD1 3.63Å
690	V	94.3	Very high	82.5	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	113.9	172.1	-171.7	0	0	0	0	109.3	I640 V642 A648 L651 A652 L655 V663 V664 L665 I688	I640-V690 HydrophobicContact CB-CG2 4.42Å; I640-V690 CarbonylContact O-C 3.57Å; I640-V690 WeakPolarHBondContact O-CA 3.47Å; V642-V690 HydrophobicContact CG1-CG1 4.5Å; V642-V690 HydrophobicContact CG2-CG1 4.16Å; A648-V690 HydrophobicContact CB-CG1 3.94Å; L651-V690 HydrophobicContact CB-CG1 4.4Å; L651-V690 HydrophobicContact CD2-CG1 4.17Å; A652-V690 HydrophobicContact CB-CB 4.31Å; A652-V690 HydrophobicContact CB-CG2 3.95Å; L655-V690 HydrophobicContact CD1-CG2 4.13Å; V663-V690 PolarHBondContact O-N 3.33Å; V664-V690 WeakPolarHBondContact CA-O 3.36Å; L665-V690 PolarHBondContact N-O 3.08Å; I688-V690 HydrophobicContact CG2-CG2 4.24Å
691	A	92.9	Very high	81.7	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	154.6	-170.7	0	0	0	0	0	114.5	I639 I640 F641 V642 L665 L689	I639-A691 HydrophobicContact CG2-CB 4.45Å; I640-A691 PolarHBondContact O-N 3.39Å; F641-A691 WeakPolarHBondContact CA-O 3.47Å; F641-A691 HydrophobicContact CD1-CB 4.33Å; F641-A691 HydrophobicContact CE1-CB 4.18Å; V642-A691 PolarHBondContact N-O 3.05Å; L665-A691 VanDerWaalsContact O-CA 3.3Å; L665-A691 WeakPolarHBondContact O-CA 3.47Å; L689-A691 HydrophobicContact CG-CB 4.36Å
692	T	91.8	Very high	80.7	Confident	11 Å²	11	42.2 Å²	42.2	7%	0.067	23%	0.227	C	C	.	.			trans	-103.8	151.1	168.2	57.6	0	0	0	0	110.7	V642 A648 L665 H666 V694 A695 G696	V642-T692 HydrophobicContact CG2-CG2 4.29Å; V642-T692 WeakPolarHBondContact O-CA 3.48Å; A648-T692 HydrophobicContact CB-CG2 4.45Å; L665-T692 PolarHBondContact O-N 3.36Å; H666-T692 HydrophobicContact CB-CG2 3.91Å; H666-T692 WeakPolarHBondContact CB-OG1 3.48Å; T692-V694 PolarHBondContact O-N 3.45Å; T692-A695 CarbonylContact O-C 3.53Å; T692-A695 WeakPolarHBondContact O-CA 3.43Å; T692-A695 PolarHBondContact O-N 2.9Å; T692-G696 PolarHBondContact O-N 2.83Å
693	D	84.4	Confident	79.9	Confident	20 Å²	20	39 Å²	39	11%	0.107	22%	0.216	C	C	.	.	H	α-helix	trans	-44.8	-53.7	-176.8	-61.8	-78.9	0	0	0	114.7	A695 G696 R697 R722	D693-A695 PolarHBondContact O-N 3.4Å; D693-G696 PolarHBondContact O-N 3.19Å; D693-G696 VanDerWaalsContact O-N 3.08Å; D693-R697 WeakPolarHBondContact O-CG 3.34Å; D693-R697 PolarHBondContact O-N 2.76Å; D693-R722 VanDerWaalsContact CG-NH2 3.29Å; D693-R722 IonicContact OD1-CZ 2.9Å; D693-R722 VanDerWaalsContact OD1-CZ 3.3Å; D693-R722 IonicContact OD1-NE 3.78Å; D693-R722 PolarHBondContact OD1-NE 3.25Å; D693-R722 IonicContact OD1-NH2 3.25Å; D693-R722 PolarHBondContact OD1-NH2 2.94Å; D693-R722 VanDerWaalsContact OD1-NH2 3.09Å; D693-R722 IonicContact OD2-CZ 2.99Å; D693-R722 IonicContact OD2-NE 3.82Å; D693-R722 IonicContact OD2-NH2 2.64Å; D693-R722 PolarHBondContact OD2-NH2 3.15Å
694	V	72.6	Confident	79.7	Confident	98 Å²	98	35.1 Å²	35.1	59%	0.594	19%	0.188	S	C	*	.	H	α-helix	trans	-51.3	-33.7	179.9	-179.8	0	0	0	0	112.4	T692	T692-V694 PolarHBondContact O-N 3.45Å
695	A	69.2	Low	79.7	Confident	2 Å²	2	34 Å²	34	2%	0.017	17%	0.173	C	C	.	.	H	α-helix	trans	-99.8	-21.5	-174.9	0	0	0	0	0	112.9	L665 T692 D693 I699	L665-A695 HydrophobicContact CD2-CB 3.48Å; L665-A695 VanDerWaalsContact CD2-CB 3.48Å; T692-A695 CarbonylContact O-C 3.53Å; T692-A695 WeakPolarHBondContact O-CA 3.43Å; T692-A695 PolarHBondContact O-N 2.9Å; D693-A695 PolarHBondContact O-N 3.4Å; A695-I699 WeakPolarHBondContact O-CD1 3.45Å; A695-I699 VanDerWaalsContact O-CG1 3.23Å; A695-I699 WeakPolarHBondContact O-CG1 3.46Å
696	G	62.9	Low	79.6	Confident	4 Å²	4	29.6 Å²	29.6	4%	0.041	15%	0.152	C	C	.	.	H	α-helix	trans	-76.9	-24.3	169.4	0	0	0	0	0	113.9	T692 D693 I699	T692-G696 PolarHBondContact O-N 2.83Å; D693-G696 PolarHBondContact O-N 3.19Å; D693-G696 VanDerWaalsContact O-N 3.08Å; G696-I699 PolarHBondContact O-N 3.28Å
697	R	69.7	Low	79.7	Confident	27 Å²	27	28 Å²	28	10%	0.102	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	136.9	166.5	-70.6	170.3	-173.8	-117.6	4	108.8	T449 K525 D528 D693 I699 E718	T449-R697 HydrophobicContact CG2-CB 4.34Å; K525-R697 HydrophobicContact CD-CG 4.42Å; D528-R697 IonicContact OD2-CZ 3.33Å; D528-R697 IonicContact OD2-NH1 3.19Å; D528-R697 PolarHBondContact OD2-NH1 2.88Å; D528-R697 IonicContact OD2-NH2 2.73Å; D528-R697 PolarHBondContact OD2-NH2 3.1Å; D693-R697 WeakPolarHBondContact O-CG 3.34Å; D693-R697 PolarHBondContact O-N 2.76Å; R697-I699 VanDerWaalsContact C-N 3.29Å; R697-I699 PolarHBondContact O-N 3.09Å; R697-E718 IonicContact CZ-OE1 3.81Å; R697-E718 IonicContact NH2-OE1 3.37Å; R697-E718 PolarHBondContact NH2-OE1 3.19Å
698	G	61.6	Low	79.9	Confident	3 Å²	3	24.4 Å²	24.4	3%	0.031	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	-12.5	-178.2	0	0	0	0	0	116.4	Q455 D700	Q455-G698 PolarHBondContact NE2-O 2.77Å; G698-D700 PolarHBondContact O-N 3.49Å
699	I	72	Confident	80	Confident	6 Å²	6	24.4 Å²	24.4	3%	0.031	13%	0.129	C	C	.	.			trans	-74.6	118.4	179.6	-56.6	-179.7	0	0	0	111.9	L665 L678 L689 A695 G696 R697 I701 R725	L665-I699 HydrophobicContact CD1-CD1 3.74Å; L665-I699 HydrophobicContact CD2-CD1 4.27Å; L678-I699 HydrophobicContact CD2-CD1 4.13Å; L678-I699 HydrophobicContact CD2-CG1 4.34Å; L678-I699 HydrophobicContact CD2-CG2 3.57Å; L689-I699 HydrophobicContact CD2-CD1 4.15Å; A695-I699 WeakPolarHBondContact O-CD1 3.45Å; A695-I699 VanDerWaalsContact O-CG1 3.23Å; A695-I699 WeakPolarHBondContact O-CG1 3.46Å; G696-I699 PolarHBondContact O-N 3.28Å; R697-I699 VanDerWaalsContact C-N 3.29Å; R697-I699 PolarHBondContact O-N 3.09Å; I699-I701 HydrophobicContact CG2-CB 4.45Å; I699-I701 HydrophobicContact CG2-CD1 3.38Å; I699-I701 HydrophobicContact CG2-CG1 3.52Å; I699-R725 PolarHBondContact O-NH1 3.09Å
700	D	68.5	Low	80.2	Confident	42 Å²	42	25.8 Å²	25.8	23%	0.225	13%	0.134	C	C	.	.			trans	-97.8	96.1	163	-163.7	56.1	0	0	0	111.1	K682 G698 R728	K682-D700 WeakPolarHBondContact CE-O 3.28Å; G698-D700 PolarHBondContact O-N 3.49Å; D700-R728 IonicContact OD1-NH1 3.55Å; D700-R728 PolarHBondContact OD1-NH1 3.09Å
701	I	72.3	Confident	80.2	Confident	10 Å²	10	26.8 Å²	26.8	5%	0.051	14%	0.139	C	C	.	.			trans	-105.1	121.1	162.5	-65.2	149.2	0	0	0	105.6	P637 I639 L678 L681 L689 I699 V704	P637-I701 HydrophobicContact CG-CG2 3.98Å; I639-I701 HydrophobicContact CD1-CD1 3.86Å; L678-I701 HydrophobicContact CD2-CD1 4.32Å; L678-I701 HydrophobicContact CD2-CG1 4.45Å; L681-I701 HydrophobicContact CD2-CD1 3.34Å; L681-I701 HydrophobicContact CD2-CG1 3.87Å; L681-I701 HydrophobicContact CD2-CG2 4.11Å; L689-I701 HydrophobicContact CD2-CD1 3.63Å; I699-I701 HydrophobicContact CG2-CB 4.45Å; I699-I701 HydrophobicContact CG2-CD1 3.38Å; I699-I701 HydrophobicContact CG2-CG1 3.52Å; I701-V704 HydrophobicContact CB-CG2 3.97Å; I701-V704 HydrophobicContact CG2-CG2 3.64Å
702	K	66.5	Low	80.3	Confident	161 Å²	161	26.8 Å²	26.8	70%	0.7	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	141.8	174.5	-62.8	-177.3	-179.6	-178.9	0	109	V704	K702-V704 PolarHBondContact O-N 2.88Å
703	D	67.4	Low	80.3	Confident	70 Å²	70	26.4 Å²	26.4	37%	0.374	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	44.2	165.8	-55.1	-17.4	0	0	0	116.2	S705 K731	D703-S705 PolarHBondContact O-N 2.97Å; D703-K731 HydrophobicContact CB-CD 4.36Å; D703-K731 IonicContact OD1-NZ 3.44Å; D703-K731 IonicContact OD2-NZ 2.71Å; D703-K731 PolarHBondContact OD2-NZ 2.95Å
704	V	82.5	Confident	80.6	Confident	4 Å²	4	33.4 Å²	33.4	2%	0.024	17%	0.166	C	C	.	.			trans	-60.8	117.3	163.2	-174	0	0	0	0	108.4	P637 I639 I701 K702 M706 V707 T726	P637-V704 WeakPolarHBondContact O-CG1 3.21Å; I639-V704 HydrophobicContact CB-CG1 4.41Å; I639-V704 HydrophobicContact CD1-CG1 4.12Å; I639-V704 HydrophobicContact CD1-CG2 3.7Å; I639-V704 HydrophobicContact CG1-CG1 3.84Å; I639-V704 HydrophobicContact CG1-CG2 4.14Å; I701-V704 HydrophobicContact CB-CG2 3.97Å; I701-V704 HydrophobicContact CG2-CG2 3.64Å; K702-V704 PolarHBondContact O-N 2.88Å; V704-M706 WeakPolarHBondContact CG1-O 3.38Å; V704-V707 HydrophobicContact CG1-CG2 4.19Å; V704-T726 HydrophobicContact CB-CG2 4.31Å; V704-T726 HydrophobicContact CG1-CG2 4.03Å; V704-T726 WeakPolarHBondContact O-CA 3.48Å; V704-T726 WeakPolarHBondContact O-CB 3.32Å; V704-T726 WeakPolarHBondContact O-CG2 3.36Å
705	S	86.1	Confident	81.3	Confident	31 Å²	31	31.7 Å²	31.7	22%	0.217	16%	0.156	C	C	.	.			trans	-70.8	-43.8	179.9	66.3	0	0	0	0	111.3	D635 P637 D703 I734	D635-S705 WeakPolarHBondContact O-CB 3.09Å; D635-S705 PolarHBondContact O-OG 3.26Å; P637-S705 PolarHBondContact O-N 2.97Å; D703-S705 PolarHBondContact O-N 2.97Å; S705-I734 PolarHBondContact O-N 3.45Å
706	M	89.7	Confident	82.2	Confident	23 Å²	23	33.1 Å²	33.1	11%	0.113	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	132.7	-167.4	-168.9	-175.7	-64.9	0	0	111.3	I629 V638 I639 V704 I708 I734 I736	I629-M706 HydrophobicContact CG2-SD 4.3Å; V638-M706 WeakPolarHBondContact CA-O 3.28Å; V638-M706 HydrophobicContact CG1-CB 4.25Å; V638-M706 HydrophobicContact CG2-CB 4.15Å; I639-M706 PolarHBondContact N-O 3.4Å; I639-M706 VanDerWaalsContact N-O 3.13Å; V704-M706 WeakPolarHBondContact CG1-O 3.38Å; M706-I708 HydrophobicContact CG-CG1 4.14Å; M706-I708 HydrophobicContact SD-CD1 4Å; M706-I708 HydrophobicContact SD-CG1 3.98Å; M706-I734 CarbonylContact C-O 3.52Å; M706-I734 VanDerWaalsContact CA-O 3.24Å; M706-I734 WeakPolarHBondContact CA-O 3.43Å; M706-I734 HydrophobicContact CG-CB 4.36Å; M706-I734 HydrophobicContact CG-CG2 4.48Å; M706-I736 HydrophobicContact CE-CD1 4.27Å; M706-I736 HydrophobicContact SD-CD1 3.73Å; M706-I736 HydrophobicContact SD-CG1 4.44Å
707	V	92.3	Very high	83	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	130.3	167.8	159.3	0	0	0	0	108.6	I639 F641 V704 R722 R725 T726 I734 A735 I736	I639-V707 HydrophobicContact CB-CG2 4.25Å; I639-V707 CarbonylContact O-C 3.53Å; I639-V707 WeakPolarHBondContact O-CA 3.42Å; F641-V707 HydrophobicContact CD2-CG1 3.86Å; F641-V707 HydrophobicContact CE2-CG1 4.08Å; F641-V707 HydrophobicContact CE2-CG2 4.36Å; V704-V707 HydrophobicContact CG1-CG2 4.19Å; V707-R722 HydrophobicContact CG1-CB 4.48Å; V707-R725 HydrophobicContact CG2-CB 4.06Å; V707-T726 HydrophobicContact CB-CG2 3.88Å; V707-T726 HydrophobicContact CG2-CG2 3.51Å; V707-I734 PolarHBondContact N-O 3.48Å; V707-A735 CarbonylContact O-C 3.56Å; V707-A735 VanDerWaalsContact O-CA 3.32Å; V707-A735 WeakPolarHBondContact O-CA 3.48Å; V707-I736 PolarHBondContact O-N 3.23Å
708	I	95	Very high	83.7	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	108.3	176	-53.4	176.4	0	0	0	108.5	L626 I629 L630 V638 I639 I640 F641 M706 Y710 I736	L626-I708 HydrophobicContact CD1-CD1 3.95Å; L626-I708 HydrophobicContact CD1-CG2 3.93Å; I629-I708 HydrophobicContact CG2-CD1 3.93Å; L630-I708 HydrophobicContact CD2-CD1 3.82Å; V638-I708 HydrophobicContact CG1-CD1 4.02Å; V638-I708 HydrophobicContact CG1-CG1 4.22Å; I639-I708 PolarHBondContact O-N 3.46Å; I640-I708 CarbonylContact C-O 3.57Å; I640-I708 VanDerWaalsContact CA-O 3.29Å; I640-I708 WeakPolarHBondContact CA-O 3.36Å; I640-I708 HydrophobicContact CG1-CB 4.26Å; I640-I708 HydrophobicContact CG1-CD1 4.42Å; F641-I708 PolarHBondContact N-O 3.01Å; M706-I708 HydrophobicContact CG-CG1 4.14Å; M706-I708 HydrophobicContact SD-CD1 4Å; M706-I708 HydrophobicContact SD-CG1 3.98Å; I708-Y710 PolarHBondContact O-N 3.01Å; I708-Y710 VanDerWaalsContact O-N 3.1Å; I708-I736 CarbonylContact C-O 3.58Å; I708-I736 VanDerWaalsContact CA-O 3.31Å; I708-I736 WeakPolarHBondContact CA-O 3.34Å
709	N	95.8	Very high	85	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	91.8	167.4	-61.2	-62.7	0	0	0	108.2	Y719 R722 I736 S737 L738	N709-Y719 WeakPolarHBondContact ND2-CE2 3.41Å; N709-R722 WeakPolarHBondContact OD1-CD 3.44Å; N709-R722 PolarHBondContact OD1-NH1 3.06Å; N709-R722 VanDerWaalsContact OD1-NH1 3.08Å; N709-I736 PolarHBondContact N-O 3.42Å; N709-S737 PolarHBondContact ND2-OG 3.38Å; N709-L738 PolarHBondContact O-N 3.47Å
710	Y	96.4	Very high	85.6	Confident	29 Å²	29	38.1 Å²	38.1	11%	0.114	19%	0.19	C	C	.	.	S	Bend	trans	-69.3	-41.3	175.2	-179.7	-83.5	0	0	0	110.5	K622 R623 L626 F641 V642 L651 I708 L738	K622-Y710 HydrophobicContact CB-CD2 4.43Å; K622-Y710 HydrophobicContact CB-CE1 4.08Å; K622-Y710 HydrophobicContact CB-CE2 3.73Å; K622-Y710 WeakPolarHBondContact CB-OH 3.48Å; K622-Y710 HydrophobicContact CD-CD1 4.14Å; K622-Y710 HydrophobicContact CD-CE1 3.76Å; K622-Y710 VanDerWaalsContact CD-O 3.29Å; K622-Y710 WeakPolarHBondContact CD-O 3.43Å; K622-Y710 WeakPolarHBondContact CE-O 3.48Å; R623-Y710 PolarHBondContact N-OH 3.2Å; L626-Y710 HydrophobicContact CB-CD2 4.15Å; L626-Y710 HydrophobicContact CB-CE2 4.17Å; L626-Y710 HydrophobicContact CD2-CD2 3.84Å; L626-Y710 HydrophobicContact CD2-CE2 4.02Å; L626-Y710 HydrophobicContact CG-CD2 4.41Å; F641-Y710 WeakPolarHBondContact O-CB 3.29Å; F641-Y710 PolarHBondContact O-N 3.38Å; V642-Y710 HydrophobicContact CG1-CD1 3.87Å; V642-Y710 HydrophobicContact CG1-CG 4.19Å; L651-Y710 HydrophobicContact CD1-CD2 4.44Å; L651-Y710 HydrophobicContact CD1-CE2 4.06Å; L651-Y710 HydrophobicContact CD2-CD1 4.22Å; L651-Y710 HydrophobicContact CD2-CD2 3.98Å; L651-Y710 HydrophobicContact CD2-CE2 4.34Å; L651-Y710 HydrophobicContact CD2-CG 3.9Å; I708-Y710 PolarHBondContact O-N 3.01Å; I708-Y710 VanDerWaalsContact O-N 3.1Å; Y710-L738 HydrophobicContact CD2-CD1 4.09Å
711	D	95.7	Very high	86.1	Confident	22 Å²	22	37.7 Å²	37.7	12%	0.118	19%	0.187	C	C	.	.	S	Bend	trans	-107.5	137.8	160.2	-56.2	-40.4	0	0	0	108.6	K622 F641 V642 N643 R722	K622-D711 IonicContact NZ-OD1 2.66Å; K622-D711 PolarHBondContact NZ-OD1 3.38Å; F641-D711 PolarHBondContact O-N 2.87Å; V642-D711 WeakPolarHBondContact CA-OD2 3.32Å; V642-D711 WeakPolarHBondContact CB-OD2 3.44Å; N643-D711 HydrophobicContact CB-CB 4.04Å; N643-D711 VanDerWaalsContact CG-CB 3.5Å; N643-D711 PolarHBondContact N-OD2 3.13Å; D711-R722 PolarHBondContact O-NH1 3.29Å
712	M	94.7	Very high	86.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.			trans	-69.3	145.7	171.9	-173.8	59.6	-170.6	0	0	110.5	N643 Y719 L739 D743 V746 L750	N643-M712 PolarHBondContact ND2-O 3.3Å; N643-M712 PolarHBondContact OD1-O 3.02Å; M712-Y719 HydrophobicContact CE-CD1 4.49Å; M712-Y719 HydrophobicContact CE-CD2 3.5Å; M712-Y719 HydrophobicContact CE-CE2 4.15Å; M712-Y719 HydrophobicContact CE-CG 3.7Å; M712-Y719 HydrophobicContact SD-CD2 3.73Å; M712-Y719 HydrophobicContact SD-CE2 4.15Å; M712-L739 HydrophobicContact CB-CD2 3.84Å; M712-L739 HydrophobicContact CG-CD2 3.61Å; M712-L739 HydrophobicContact SD-CD2 3.9Å; M712-D743 HydrophobicContact CB-CB 3.98Å; M712-D743 HydrophobicContact CG-CB 4.29Å; M712-V746 HydrophobicContact CE-CB 4.37Å; M712-V746 HydrophobicContact CE-CG2 3.85Å; M712-V746 HydrophobicContact CG-CG2 3.58Å; M712-L750 HydrophobicContact CE-CB 4.5Å; M712-L750 HydrophobicContact CE-CD1 4.31Å; M712-L750 HydrophobicContact CE-CD2 3.9Å; M712-L750 HydrophobicContact CE-CG 4.47Å; M712-L750 HydrophobicContact SD-CD2 4.31Å
713	S	92.1	Very high	87.8	Confident	2 Å²	2	29.8 Å²	29.8	1%	0.014	15%	0.152	C	C	.	.			trans	-68.7	156.8	176.1	58.2	0	0	0	0	111.9	T715 Y719	S713-T715 VanDerWaalsContact C-N 3.34Å; S713-T715 PolarHBondContact OG-O 3.42Å; S713-Y719 WeakPolarHBondContact OG-CA 3.45Å; S713-Y719 VanDerWaalsContact OG-CB 3.26Å; S713-Y719 WeakPolarHBondContact OG-CB 3.38Å; S713-Y719 PolarHBondContact OG-N 3.04Å
714	K	89.2	Confident	88.3	Confident	168 Å²	168	26.9 Å²	26.9	73%	0.73	14%	0.138	S	C	*	.	S	Bend	trans	-74	-25.7	-178.5	-65.5	-176.8	178.2	-177.4	0	113.5	V746	K714-V746 WeakPolarHBondContact O-CG1 3.46Å
715	T	87.2	Confident	88.2	Confident	62 Å²	62	27.4 Å²	27.4	38%	0.38	14%	0.14	S	C	.	.	S	Bend	trans	-125.1	158.2	174.8	68.5	0	0	0	0	110.2	S713 D717 E718 Y719	S713-T715 VanDerWaalsContact C-N 3.34Å; S713-T715 PolarHBondContact OG-O 3.42Å; T715-D717 VanDerWaalsContact C-N 3.34Å; T715-E718 WeakPolarHBondContact OG1-CG 3.47Å; T715-E718 PolarHBondContact OG1-N 3.22Å; T715-Y719 PolarHBondContact O-N 3.25Å
716	I	88.1	Confident	87.9	Confident	32 Å²	32	26.1 Å²	26.1	16%	0.164	13%	0.131	C	C	.	.	H	α-helix	trans	-72.6	-28.4	178.6	-162.9	65.7	0	0	0	112.2	Y719 V720 D749 L750 L753	I716-Y719 HydrophobicContact CD1-CD1 3.92Å; I716-Y719 HydrophobicContact CD1-CG 4.35Å; I716-Y719 VanDerWaalsContact O-CB 3.32Å; I716-Y719 WeakPolarHBondContact O-CB 3.49Å; I716-Y719 PolarHBondContact O-N 3.03Å; I716-V720 WeakPolarHBondContact O-CG2 3.43Å; I716-V720 PolarHBondContact O-N 3.36Å; I716-D749 HydrophobicContact CB-CB 4.05Å; I716-D749 HydrophobicContact CD1-CB 4.31Å; I716-D749 HydrophobicContact CG1-CB 3.99Å; I716-D749 HydrophobicContact CG2-CB 4.23Å; I716-L750 HydrophobicContact CD1-CB 4.07Å; I716-L750 HydrophobicContact CD1-CD1 4.46Å; I716-L753 HydrophobicContact CD1-CD1 3.76Å; I716-L753 HydrophobicContact CG1-CD1 3.8Å
717	D	81.4	Confident	86.8	Confident	89 Å²	89	25.6 Å²	25.6	48%	0.476	13%	0.132	S	C	.	.	H	α-helix	trans	-68.2	-37.9	178.1	-49	-71	0	0	0	111.3	T715 V720 H721	T715-D717 VanDerWaalsContact C-N 3.34Å; D717-V720 PolarHBondContact O-N 3.44Å; D717-H721 VanDerWaalsContact O-CG 3.23Å; D717-H721 PolarHBondContact O-N 2.87Å; D717-H721 PolarHBondContact O-ND1 3.14Å; D717-H721 VanDerWaalsContact O-ND1 3.13Å
718	E	83.7	Confident	85.6	Confident	34 Å²	34	27.3 Å²	27.3	16%	0.159	14%	0.138	C	C	.	.	H	α-helix	trans	-63.4	-40.6	170.5	-73.2	-169.6	142.8	0	0	111.9	R697 T715 V720 H721 R722	R697-E718 IonicContact CZ-OE1 3.81Å; R697-E718 IonicContact NH2-OE1 3.37Å; R697-E718 PolarHBondContact NH2-OE1 3.19Å; T715-E718 WeakPolarHBondContact OG1-CG 3.47Å; T715-E718 PolarHBondContact OG1-N 3.22Å; E718-V720 PolarHBondContact O-N 3.38Å; E718-H721 PolarHBondContact O-N 3.33Å; E718-R722 WeakPolarHBondContact O-CG 3.27Å; E718-R722 PolarHBondContact O-N 2.94Å
719	Y	88.9	Confident	83.9	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.5	-48.7	174.5	173.4	-103.2	0	0	0	111.3	Q612 N709 M712 S713 T715 I716 H721 R722 I723 S737 L750 L753	Q612-Y719 PolarHBondContact OE1-OH 3.12Å; Q612-Y719 VanDerWaalsContact OE1-OH 3.06Å; N709-Y719 WeakPolarHBondContact ND2-CE2 3.41Å; M712-Y719 HydrophobicContact CE-CD1 4.49Å; M712-Y719 HydrophobicContact CE-CD2 3.5Å; M712-Y719 HydrophobicContact CE-CE2 4.15Å; M712-Y719 HydrophobicContact CE-CG 3.7Å; M712-Y719 HydrophobicContact SD-CD2 3.73Å; M712-Y719 HydrophobicContact SD-CE2 4.15Å; S713-Y719 WeakPolarHBondContact OG-CA 3.45Å; S713-Y719 VanDerWaalsContact OG-CB 3.26Å; S713-Y719 WeakPolarHBondContact OG-CB 3.38Å; S713-Y719 PolarHBondContact OG-N 3.04Å; T715-Y719 PolarHBondContact O-N 3.25Å; I716-Y719 HydrophobicContact CD1-CD1 3.92Å; I716-Y719 HydrophobicContact CD1-CG 4.35Å; I716-Y719 VanDerWaalsContact O-CB 3.32Å; I716-Y719 WeakPolarHBondContact O-CB 3.49Å; I716-Y719 PolarHBondContact O-N 3.03Å; Y719-H721 VanDerWaalsContact C-N 3.3Å; Y719-H721 PolarHBondContact O-N 3.26Å; Y719-R722 WeakPolarHBondContact O-CB 3.49Å; Y719-R722 PolarHBondContact O-N 3.16Å; Y719-R722 VanDerWaalsContact O-N 3.11Å; Y719-I723 HydrophobicContact CD1-CD1 4.3Å; Y719-I723 HydrophobicContact CD2-CG2 4.16Å; Y719-I723 HydrophobicContact CE1-CD1 3.77Å; Y719-I723 HydrophobicContact CE1-CG2 4.15Å; Y719-I723 HydrophobicContact CE2-CG2 3.73Å; Y719-I723 PolarHBondContact O-N 3.13Å; Y719-S737 WeakPolarHBondContact CE2-OG 3.45Å; Y719-L750 HydrophobicContact CD1-CD1 4.09Å; Y719-L750 HydrophobicContact CE1-CD1 3.49Å; Y719-L750 VanDerWaalsContact CE1-CD1 3.49Å; Y719-L750 HydrophobicContact CE2-CD1 4.14Å; Y719-L753 HydrophobicContact CD1-CD1 3.79Å; Y719-L753 HydrophobicContact CE1-CD1 3.91Å; Y719-L753 HydrophobicContact CE1-CD2 4.1Å
720	V	84	Confident	82.3	Confident	21 Å²	21	35.2 Å²	35.2	13%	0.127	21%	0.209	C	C	.	.	H	α-helix	trans	-56.5	-44.2	176	171.9	0	0	0	0	111.1	P606 I716 D717 E718 R722 I723 G724 L753	P606-V720 HydrophobicContact CG-CG1 3.91Å; I716-V720 WeakPolarHBondContact O-CG2 3.43Å; I716-V720 PolarHBondContact O-N 3.36Å; D717-V720 PolarHBondContact O-N 3.44Å; E718-V720 PolarHBondContact O-N 3.38Å; V720-R722 VanDerWaalsContact C-N 3.34Å; V720-R722 PolarHBondContact O-N 3.39Å; V720-I723 WeakPolarHBondContact O-CG1 3.35Å; V720-G724 PolarHBondContact O-N 3.14Å; V720-L753 HydrophobicContact CG2-CD1 3.69Å
721	H	80	Confident	81	Confident	34 Å²	34	39.3 Å²	39.3	16%	0.157	23%	0.227	C	C	.	.	H	α-helix	trans	-67.3	-27.8	177.3	-68.7	147.5	0	0	0	114.8	D717 E718 Y719 R725	D717-H721 VanDerWaalsContact O-CG 3.23Å; D717-H721 PolarHBondContact O-N 2.87Å; D717-H721 PolarHBondContact O-ND1 3.14Å; D717-H721 VanDerWaalsContact O-ND1 3.13Å; E718-H721 PolarHBondContact O-N 3.33Å; Y719-H721 VanDerWaalsContact C-N 3.3Å; Y719-H721 PolarHBondContact O-N 3.26Å; H721-R725 PolarHBondContact O-NE 2.87Å
722	R	86.6	Confident	80.1	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.015	26%	0.258	C	S	.	.	H	α-helix	trans	-74.7	-51.5	173.3	-69.9	179.3	-175.1	-174	2.2	111.2	F641 N643 D693 V707 N709 D711 E718 Y719 V720 G724 R725	F641-R722 HydrophobicContact CB-CG 4.5Å; F641-R722 HydrophobicContact CD1-CG 3.97Å; F641-R722 HydrophobicContact CD2-CB 3.77Å; F641-R722 HydrophobicContact CD2-CG 3.68Å; F641-R722 HydrophobicContact CE1-CG 4.04Å; F641-R722 HydrophobicContact CE2-CB 3.68Å; F641-R722 HydrophobicContact CE2-CG 3.75Å; F641-R722 HydrophobicContact CG-CB 4.38Å; F641-R722 HydrophobicContact CG-CG 3.79Å; F641-R722 HydrophobicContact CZ-CB 4.24Å; F641-R722 HydrophobicContact CZ-CG 3.93Å; N643-R722 PolarHBondContact OD1-NH2 3.26Å; D693-R722 VanDerWaalsContact CG-NH2 3.29Å; D693-R722 IonicContact OD1-CZ 2.9Å; D693-R722 VanDerWaalsContact OD1-CZ 3.3Å; D693-R722 IonicContact OD1-NE 3.78Å; D693-R722 PolarHBondContact OD1-NE 3.25Å; D693-R722 IonicContact OD1-NH2 3.25Å; D693-R722 PolarHBondContact OD1-NH2 2.94Å; D693-R722 VanDerWaalsContact OD1-NH2 3.09Å; D693-R722 IonicContact OD2-CZ 2.99Å; D693-R722 IonicContact OD2-NE 3.82Å; D693-R722 IonicContact OD2-NH2 2.64Å; D693-R722 PolarHBondContact OD2-NH2 3.15Å; V707-R722 HydrophobicContact CG1-CB 4.48Å; N709-R722 WeakPolarHBondContact OD1-CD 3.44Å; N709-R722 PolarHBondContact OD1-NH1 3.06Å; N709-R722 VanDerWaalsContact OD1-NH1 3.08Å; D711-R722 PolarHBondContact O-NH1 3.29Å; E718-R722 WeakPolarHBondContact O-CG 3.27Å; E718-R722 PolarHBondContact O-N 2.94Å; Y719-R722 WeakPolarHBondContact O-CB 3.49Å; Y719-R722 PolarHBondContact O-N 3.16Å; Y719-R722 VanDerWaalsContact O-N 3.11Å; V720-R722 VanDerWaalsContact C-N 3.34Å; V720-R722 PolarHBondContact O-N 3.39Å; R722-G724 VanDerWaalsContact C-N 3.29Å; R722-G724 PolarHBondContact O-N 3.32Å; R722-R725 WeakPolarHBondContact O-CB 3.42Å; R722-R725 VanDerWaalsContact O-CG 3.26Å; R722-R725 WeakPolarHBondContact O-CG 3.38Å; R722-R725 PolarHBondContact O-N 2.71Å; R722-R725 VanDerWaalsContact O-N 3.07Å
723	I	86.4	Confident	79.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66.9	-32.7	-177.4	70	173.1	0	0	0	111.9	T607 V610 Q612 Y719 V720 R725 T726 A735	T607-I723 HydrophobicContact CG2-CD1 4.27Å; V610-I723 HydrophobicContact CG1-CB 4.28Å; Q612-I723 HydrophobicContact CG-CD1 4.22Å; Y719-I723 HydrophobicContact CD1-CD1 4.3Å; Y719-I723 HydrophobicContact CD2-CG2 4.16Å; Y719-I723 HydrophobicContact CE1-CD1 3.77Å; Y719-I723 HydrophobicContact CE1-CG2 4.15Å; Y719-I723 HydrophobicContact CE2-CG2 3.73Å; Y719-I723 PolarHBondContact O-N 3.13Å; V720-I723 WeakPolarHBondContact O-CG1 3.35Å; I723-R725 PolarHBondContact O-N 3.15Å; I723-T726 PolarHBondContact O-N 3.37Å; I723-T726 PolarHBondContact O-OG1 2.96Å; I723-A735 HydrophobicContact CB-CB 3.84Å; I723-A735 HydrophobicContact CG2-CB 3.43Å; I723-A735 VanDerWaalsContact CG2-CB 3.43Å
724	G	79.4	Confident	79.4	Confident	9 Å²	9	46.2 Å²	46.2	9%	0.093	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	9.9	171	0	0	0	0	0	115.6	V720 R722 T726 R728	V720-G724 PolarHBondContact O-N 3.14Å; R722-G724 VanDerWaalsContact C-N 3.29Å; R722-G724 PolarHBondContact O-N 3.32Å; G724-T726 CarbonylContact C-O 3.58Å; G724-R728 PolarHBondContact O-NE 3.2Å; G724-R728 PolarHBondContact O-NH2 2.91Å
725	R	79	Confident	79.5	Confident	15 Å²	15	38.2 Å²	38.2	6%	0.057	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-30.4	159.2	-58.3	-67	142.5	-172.1	-9.2	111.2	I639 F641 I699 V707 H721 R722 I723	I639-R725 HydrophobicContact CD1-CB 4.2Å; I639-R725 HydrophobicContact CD1-CG 4.44Å; F641-R725 HydrophobicContact CE2-CG 4.43Å; F641-R725 HydrophobicContact CZ-CG 4.3Å; I699-R725 PolarHBondContact O-NH1 3.09Å; V707-R725 HydrophobicContact CG2-CB 4.06Å; H721-R725 PolarHBondContact O-NE 2.87Å; R722-R725 WeakPolarHBondContact O-CB 3.42Å; R722-R725 VanDerWaalsContact O-CG 3.26Å; R722-R725 WeakPolarHBondContact O-CG 3.38Å; R722-R725 PolarHBondContact O-N 2.71Å; R722-R725 VanDerWaalsContact O-N 3.07Å; I723-R725 PolarHBondContact O-N 3.15Å
726	T	79.8	Confident	79.9	Confident	4 Å²	4	35.7 Å²	35.7	3%	0.025	22%	0.222	C	C	.	.	S	Bend	trans	-87.5	176.1	166.8	75.4	0	0	0	0	110.9	V610 V704 V707 I723 G724 R728	V610-T726 WeakPolarHBondContact CG2-OG1 3.39Å; V704-T726 HydrophobicContact CB-CG2 4.31Å; V704-T726 HydrophobicContact CG1-CG2 4.03Å; V704-T726 WeakPolarHBondContact O-CA 3.48Å; V704-T726 WeakPolarHBondContact O-CB 3.32Å; V704-T726 WeakPolarHBondContact O-CG2 3.36Å; V707-T726 HydrophobicContact CB-CG2 3.88Å; V707-T726 HydrophobicContact CG2-CG2 3.51Å; I723-T726 PolarHBondContact O-N 3.37Å; I723-T726 PolarHBondContact O-OG1 2.96Å; G724-T726 CarbonylContact C-O 3.58Å; T726-R728 VanDerWaalsContact C-N 3.29Å; T726-R728 PolarHBondContact O-N 3.45Å
727	G	66.9	Low	80.3	Confident	13 Å²	13	34.2 Å²	34.2	13%	0.134	21%	0.214	C	C	.	.	S	Bend	trans	75.7	10.2	168.5	0	0	0	0	0	116	K731	G727-K731 CarbonylContact C-O 3.57Å; G727-K731 VanDerWaalsContact CA-O 3.27Å; G727-K731 WeakPolarHBondContact CA-O 3.47Å
728	R	66.2	Low	81	Confident	36 Å²	36	30 Å²	30	14%	0.136	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-76.3	154.9	-177.5	-63.6	-176.5	179.3	-147	-10.6	111.7	T409 D700 G724 T726 G730 K731	T409-R728 PolarHBondContact OG1-NH1 3.06Å; T409-R728 PolarHBondContact OG1-NH2 3.07Å; D700-R728 IonicContact OD1-NH1 3.55Å; D700-R728 PolarHBondContact OD1-NH1 3.09Å; G724-R728 PolarHBondContact O-NE 3.2Å; G724-R728 PolarHBondContact O-NH2 2.91Å; T726-R728 VanDerWaalsContact C-N 3.29Å; T726-R728 PolarHBondContact O-N 3.45Å; R728-G730 PolarHBondContact O-N 3.1Å; R728-K731 PolarHBondContact O-N 3.24Å
729	A	59.5	Low	81.5	Confident	105 Å²	105	28.3 Å²	28.3	87%	0.868	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	52.4	22.1	174.3	0	0	0	0	0	116.5
730	G	62.6	Low	81.8	Confident	60 Å²	60	28.7 Å²	28.7	62%	0.619	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	94.6	-1.4	175.8	0	0	0	0	0	115.5	R728	R728-G730 PolarHBondContact O-N 3.1Å
731	K	68.6	Low	82.2	Confident	116 Å²	116	36.9 Å²	36.9	50%	0.504	22%	0.22	S	C	.	.			trans	-71.1	145.7	166.2	-67	179.5	174.3	-180	0	109.6	D703 G727 R728	D703-K731 HydrophobicContact CB-CD 4.36Å; D703-K731 IonicContact OD1-NZ 3.44Å; D703-K731 IonicContact OD2-NZ 2.71Å; D703-K731 PolarHBondContact OD2-NZ 2.95Å; G727-K731 CarbonylContact C-O 3.57Å; G727-K731 VanDerWaalsContact CA-O 3.27Å; G727-K731 WeakPolarHBondContact CA-O 3.47Å; R728-K731 PolarHBondContact O-N 3.24Å
732	S	77.1	Confident	82.7	Confident	108 Å²	108	42.9 Å²	42.9	76%	0.755	25%	0.248	S	C	*	.			trans	-75.4	142.9	164.1	50	0	0	0	0	109.6
733	G	82.1	Confident	83	Confident	2 Å²	2	43.6 Å²	43.6	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	155.8	175.6	0	0	0	0	0	111.4	R609 V610 E611	R609-G733 PolarHBondContact O-N 3.02Å; V610-G733 CarbonylContact C-O 3.55Å; V610-G733 WeakPolarHBondContact CA-O 3.2Å; E611-G733 PolarHBondContact N-O 2.97Å
734	I	90.3	Very high	83.3	Confident	58 Å²	58	44.6 Å²	44.6	30%	0.297	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.7	174.1	-57	176.9	0	0	0	109.5	E611 I613 S705 M706 V707 I736	E611-I734 CarbonylContact O-C 3.56Å; E611-I734 WeakPolarHBondContact O-CA 3.31Å; I613-I734 HydrophobicContact CD1-CG2 4.07Å; S705-I734 PolarHBondContact O-N 3.45Å; M706-I734 CarbonylContact C-O 3.52Å; M706-I734 VanDerWaalsContact CA-O 3.24Å; M706-I734 WeakPolarHBondContact CA-O 3.43Å; M706-I734 HydrophobicContact CG-CB 4.36Å; M706-I734 HydrophobicContact CG-CG2 4.48Å; V707-I734 PolarHBondContact N-O 3.48Å; I734-I736 HydrophobicContact CG2-CD1 4.41Å; I734-I736 HydrophobicContact CG2-CG1 3.92Å
735	A	92.7	Very high	83.9	Confident	0 Å²	0	48 Å²	48	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	105.9	175.2	0	0	0	0	0	110.7	V610 E611 Q612 I613 V707 I723	V610-A735 HydrophobicContact CG1-CB 3.6Å; E611-A735 PolarHBondContact O-N 3.3Å; Q612-A735 WeakPolarHBondContact CA-O 3.34Å; Q612-A735 HydrophobicContact CG-CB 4.09Å; I613-A735 PolarHBondContact N-O 3.45Å; V707-A735 CarbonylContact O-C 3.56Å; V707-A735 VanDerWaalsContact O-CA 3.32Å; V707-A735 WeakPolarHBondContact O-CA 3.48Å; I723-A735 HydrophobicContact CB-CB 3.84Å; I723-A735 HydrophobicContact CG2-CB 3.43Å; I723-A735 VanDerWaalsContact CG2-CB 3.43Å
736	I	94.8	Very high	84.5	Confident	10 Å²	10	47.7 Å²	47.7	5%	0.051	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	131.9	178.1	-52.8	177.9	0	0	0	109.1	I613 Y615 I629 M706 V707 I708 N709 I734	I613-I736 HydrophobicContact CB-CG1 4.3Å; I613-I736 HydrophobicContact CD1-CG1 4.48Å; I613-I736 CarbonylContact O-C 3.43Å; I613-I736 WeakPolarHBondContact O-CA 3.42Å; Y615-I736 HydrophobicContact CD2-CG2 3.77Å; Y615-I736 HydrophobicContact CE2-CG2 3.68Å; I629-I736 HydrophobicContact CD1-CD1 4.49Å; I629-I736 HydrophobicContact CD1-CG2 3.73Å; I629-I736 HydrophobicContact CG1-CD1 4.4Å; I629-I736 HydrophobicContact CG2-CD1 3.58Å; M706-I736 HydrophobicContact CE-CD1 4.27Å; M706-I736 HydrophobicContact SD-CD1 3.73Å; M706-I736 HydrophobicContact SD-CG1 4.44Å; V707-I736 PolarHBondContact O-N 3.23Å; I708-I736 CarbonylContact C-O 3.58Å; I708-I736 VanDerWaalsContact CA-O 3.31Å; I708-I736 WeakPolarHBondContact CA-O 3.34Å; N709-I736 PolarHBondContact N-O 3.42Å; I734-I736 HydrophobicContact CG2-CD1 4.41Å; I734-I736 HydrophobicContact CG2-CG1 3.92Å
737	S	95.5	Very high	85.2	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129.8	-177.6	-46.4	0	0	0	0	112.2	I613 V614 Y615 N709 Y719	I613-S737 PolarHBondContact O-N 3.2Å; V614-S737 WeakPolarHBondContact CA-O 3.45Å; Y615-S737 PolarHBondContact N-O 3.04Å; N709-S737 PolarHBondContact ND2-OG 3.38Å; Y719-S737 WeakPolarHBondContact CE2-OG 3.45Å
738	L	96.3	Very high	86.4	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	110.3	177.1	-54.4	-175.8	0	0	0	108.5	Y615 V617 K622 K625 I629 N709 Y710	Y615-L738 HydrophobicContact CD2-CD2 4.14Å; V617-L738 HydrophobicContact CG2-CB 3.94Å; K622-L738 HydrophobicContact CB-CD1 4Å; K622-L738 HydrophobicContact CG-CB 4.25Å; K622-L738 HydrophobicContact CG-CD1 4.08Å; K625-L738 HydrophobicContact CB-CD2 4.3Å; K625-L738 HydrophobicContact CG-CD2 3.85Å; I629-L738 HydrophobicContact CD1-CD2 4.31Å; N709-L738 PolarHBondContact O-N 3.47Å; Y710-L738 HydrophobicContact CD2-CD1 4.09Å
739	L	95.5	Very high	87.6	Confident	0 Å²	0	50 Å²	50	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	139.3	179	-67.3	-176.9	0	0	0	111.2	V614 Y615 M616 V617 M712 D743 F747 L750 L766	V614-L739 HydrophobicContact CG1-CD1 3.34Å; V614-L739 HydrophobicContact CG1-CG 3.76Å; Y615-L739 PolarHBondContact O-N 3.06Å; M616-L739 HydrophobicContact CE-CD1 3.93Å; M616-L739 HydrophobicContact SD-CB 3.66Å; M616-L739 HydrophobicContact SD-CD1 4.05Å; V617-L739 PolarHBondContact N-O 2.92Å; V617-L739 VanDerWaalsContact O-O 3.09Å; M712-L739 HydrophobicContact CB-CD2 3.84Å; M712-L739 HydrophobicContact CG-CD2 3.61Å; M712-L739 HydrophobicContact SD-CD2 3.9Å; L739-D743 HydrophobicContact CD2-CB 4.27Å; L739-F747 HydrophobicContact CB-CE1 3.96Å; L739-F747 HydrophobicContact CB-CZ 4.26Å; L739-F747 HydrophobicContact CD1-CD1 4.1Å; L739-F747 HydrophobicContact CD1-CE1 3.78Å; L739-F747 HydrophobicContact CD1-CZ 4.38Å; L739-F747 HydrophobicContact CD2-CE1 4.1Å; L739-F747 HydrophobicContact CG-CE1 4.17Å; L739-L750 HydrophobicContact CD1-CD2 3.74Å; L739-L750 HydrophobicContact CD2-CD2 3.85Å; L739-L750 HydrophobicContact CG-CD2 4.25Å; L739-L766 HydrophobicContact CD1-CD1 4.06Å; L739-L766 HydrophobicContact CD1-CD2 4.17Å
740	T	94.2	Very high	89.2	Confident	8 Å²	8	45 Å²	45	5%	0.049	25%	0.248	C	C	.	.			trans	-120.9	176.4	173.3	73.8	0	0	0	0	111.1	K622 E742 D743 F747	K622-T740 HydrophobicContact CD-CG2 4.44Å; T740-E742 PolarHBondContact O-N 2.96Å; T740-E742 PolarHBondContact OG1-N 3.34Å; T740-D743 WeakPolarHBondContact CA-OD2 3.32Å; T740-D743 WeakPolarHBondContact CB-OD2 3.36Å; T740-D743 PolarHBondContact N-OD2 3.05Å; T740-D743 PolarHBondContact O-N 3.47Å; T740-D743 PolarHBondContact OG1-OD2 3.49Å; T740-F747 VanDerWaalsContact O-CZ 3.23Å; T740-F747 WeakPolarHBondContact O-CZ 3.36Å
741	K	91.9	Very high	90.6	Very high	192 Å²	192	43 Å²	43	84%	0.835	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-65.2	-21.3	173.6	-61.7	-180	-178.7	178.1	0	113.4	D743	K741-D743 VanDerWaalsContact C-N 3.28Å
742	E	91.5	Very high	91.6	Very high	160 Å²	160	40.4 Å²	40.4	75%	0.748	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-74.2	-25.1	177.4	-59.1	-174.9	-171.6	0	0	111.4	T740 A744 P745	T740-E742 PolarHBondContact O-N 2.96Å; T740-E742 PolarHBondContact OG1-N 3.34Å; E742-A744 VanDerWaalsContact C-N 3.27Å; E742-A744 PolarHBondContact O-N 3.22Å; E742-P745 WeakPolarHBondContact O-CD 3.39Å
743	D	93.3	Very high	92.1	Very high	19 Å²	19	36 Å²	36	10%	0.102	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-86.3	6.3	-178.2	-48.2	-61.7	0	0	0	112.9	M712 L739 T740 K741 P745 V746 F747	M712-D743 HydrophobicContact CB-CB 3.98Å; M712-D743 HydrophobicContact CG-CB 4.29Å; L739-D743 HydrophobicContact CD2-CB 4.27Å; T740-D743 WeakPolarHBondContact CA-OD2 3.32Å; T740-D743 WeakPolarHBondContact CB-OD2 3.36Å; T740-D743 PolarHBondContact N-OD2 3.05Å; T740-D743 PolarHBondContact O-N 3.47Å; T740-D743 PolarHBondContact OG1-OD2 3.49Å; K741-D743 VanDerWaalsContact C-N 3.28Å; D743-P745 VanDerWaalsContact C-N 3.26Å; D743-P745 VanDerWaalsContact O-N 3.11Å; D743-V746 HydrophobicContact CB-CG2 4.32Å; D743-V746 WeakPolarHBondContact O-CG2 3.4Å; D743-V746 PolarHBondContact O-N 3.43Å; D743-F747 HydrophobicContact CB-CE1 3.93Å; D743-F747 WeakPolarHBondContact O-CD1 3.44Å; D743-F747 WeakPolarHBondContact O-CE1 3.37Å
744	A	91.7	Very high	92.5	Very high	21 Å²	21	36 Å²	36	17%	0.174	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-48.3	-36.5	178	0	0	0	0	0	114.8	E742 V746 F747 D771	E742-A744 VanDerWaalsContact C-N 3.27Å; E742-A744 PolarHBondContact O-N 3.22Å; A744-V746 PolarHBondContact O-N 3.47Å; A744-V746 VanDerWaalsContact O-N 3.15Å; A744-F747 WeakPolarHBondContact O-CB 3.38Å; A744-F747 PolarHBondContact O-N 2.92Å; A744-D771 HydrophobicContact CB-CB 4.07Å
745	P	91.6	Very high	92.4	Very high	82 Å²	82	38 Å²	38	53%	0.532	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-62.6	-15.1	176.5	-24.9	36.2	0	0	0	116	E742 D743 P776	E742-P745 WeakPolarHBondContact O-CD 3.39Å; D743-P745 VanDerWaalsContact C-N 3.26Å; D743-P745 VanDerWaalsContact O-N 3.11Å; P745-P776 WeakPolarHBondContact O-CG 3.34Å
746	V	93	Very high	92.1	Very high	8 Å²	8	42.5 Å²	42.5	5%	0.048	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-106.9	-2.5	176.1	-64.8	0	0	0	0	113.6	M712 K714 D743 A744 Y748 D749 L750	M712-V746 HydrophobicContact CE-CB 4.37Å; M712-V746 HydrophobicContact CE-CG2 3.85Å; M712-V746 HydrophobicContact CG-CG2 3.58Å; K714-V746 WeakPolarHBondContact O-CG1 3.46Å; D743-V746 HydrophobicContact CB-CG2 4.32Å; D743-V746 WeakPolarHBondContact O-CG2 3.4Å; D743-V746 PolarHBondContact O-N 3.43Å; A744-V746 PolarHBondContact O-N 3.47Å; A744-V746 VanDerWaalsContact O-N 3.15Å; V746-Y748 PolarHBondContact O-N 3.31Å; V746-D749 PolarHBondContact O-N 3.14Å; V746-L750 VanDerWaalsContact O-CB 3.26Å; V746-L750 WeakPolarHBondContact O-CB 3.43Å; V746-L750 PolarHBondContact O-N 3.37Å
747	F	93.8	Very high	91.6	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.009	21%	0.21	C	C	.	.	H	α-helix	trans	-61.4	-41.9	-174.1	-81.3	15.8	0	0	0	113.6	M616 L739 T740 D743 A744 K751 L766 H769 D771 A772	M616-F747 HydrophobicContact CE-CD2 4.1Å; M616-F747 HydrophobicContact CE-CE1 4.35Å; M616-F747 HydrophobicContact CE-CE2 3.54Å; M616-F747 HydrophobicContact CE-CZ 3.68Å; M616-F747 HydrophobicContact SD-CE2 4.11Å; M616-F747 HydrophobicContact SD-CZ 3.76Å; L739-F747 HydrophobicContact CB-CE1 3.96Å; L739-F747 HydrophobicContact CB-CZ 4.26Å; L739-F747 HydrophobicContact CD1-CD1 4.1Å; L739-F747 HydrophobicContact CD1-CE1 3.78Å; L739-F747 HydrophobicContact CD1-CZ 4.38Å; L739-F747 HydrophobicContact CD2-CE1 4.1Å; L739-F747 HydrophobicContact CG-CE1 4.17Å; T740-F747 VanDerWaalsContact O-CZ 3.23Å; T740-F747 WeakPolarHBondContact O-CZ 3.36Å; D743-F747 HydrophobicContact CB-CE1 3.93Å; D743-F747 WeakPolarHBondContact O-CD1 3.44Å; D743-F747 WeakPolarHBondContact O-CE1 3.37Å; A744-F747 WeakPolarHBondContact O-CB 3.38Å; A744-F747 PolarHBondContact O-N 2.92Å; F747-K751 WeakPolarHBondContact O-CB 3.37Å; F747-K751 PolarHBondContact O-N 3.05Å; F747-L766 HydrophobicContact CB-CD1 3.82Å; F747-L766 HydrophobicContact CD1-CD1 4.19Å; F747-L766 HydrophobicContact CD2-CD1 3.97Å; F747-L766 HydrophobicContact CG-CD1 3.74Å; F747-H769 HydrophobicContact CD2-CB 4.25Å; F747-H769 AromaticContact CD2-CE1 3.99Å; F747-H769 AromaticContact CD2-CG 3.8Å; F747-H769 AromaticContact CD2-ND1 3.44Å; F747-H769 WeakPolarHBondContact CD2-ND1 3.37Å; F747-H769 AromaticContact CE2-CE1 3.6Å; F747-H769 AromaticContact CE2-CG 3.79Å; F747-H769 AromaticContact CE2-ND1 3.49Å; F747-H769 WeakPolarHBondContact CE2-ND1 3.38Å; F747-H769 AromaticContact CE2-NE2 3.96Å; F747-D771 HydrophobicContact CD2-CB 4.38Å; F747-A772 HydrophobicContact CB-CB 4Å
748	Y	92.7	Very high	91	Very high	43 Å²	43	47.5 Å²	47.5	17%	0.169	24%	0.244	C	C	.	.	H	α-helix	trans	-63.1	-50.8	178.8	178.3	-83.4	0	0	0	111.2	V746 K751 Q752 T774 K775	V746-Y748 PolarHBondContact O-N 3.31Å; Y748-K751 WeakPolarHBondContact O-CB 3.37Å; Y748-K751 PolarHBondContact O-N 3.09Å; Y748-Q752 HydrophobicContact CD1-CG 4.12Å; Y748-Q752 HydrophobicContact CE1-CG 3.61Å; Y748-Q752 WeakPolarHBondContact O-CG 3.31Å; Y748-Q752 PolarHBondContact O-N 2.98Å; Y748-T774 WeakPolarHBondContact CB-O 3.47Å; Y748-T774 WeakPolarHBondContact CD2-O 3.33Å; Y748-K775 HydrophobicContact CD1-CB 4.49Å; Y748-K775 HydrophobicContact CD1-CG 3.72Å; Y748-K775 HydrophobicContact CE1-CD 4.28Å; Y748-K775 HydrophobicContact CE1-CG 3.41Å; Y748-K775 VanDerWaalsContact CE1-CG 3.41Å; Y748-K775 HydrophobicContact CE2-CG 4.26Å; Y748-K775 HydrophobicContact CG-CG 4.32Å
749	D	91.5	Very high	90.6	Very high	55 Å²	55	50.9 Å²	50.9	29%	0.294	27%	0.265	S	S	.	.	H	α-helix	trans	-70.5	-38.6	-175.3	-62.5	-52.3	0	0	0	111.4	I716 V746 K751 Q752 L753	I716-D749 HydrophobicContact CB-CB 4.05Å; I716-D749 HydrophobicContact CD1-CB 4.31Å; I716-D749 HydrophobicContact CG1-CB 3.99Å; I716-D749 HydrophobicContact CG2-CB 4.23Å; V746-D749 PolarHBondContact O-N 3.14Å; D749-K751 PolarHBondContact O-N 2.74Å; D749-Q752 PolarHBondContact O-N 3.36Å; D749-L753 VanDerWaalsContact O-CB 3.27Å; D749-L753 WeakPolarHBondContact O-CB 3.44Å; D749-L753 PolarHBondContact O-N 2.99Å
750	L	92.4	Very high	90.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-42.1	171.8	-180	60.7	0	0	0	112.1	V614 M712 I716 Y719 L739 V746 Q752 L753 L754 L766	V614-L750 HydrophobicContact CG2-CD2 4.31Å; M712-L750 HydrophobicContact CE-CB 4.5Å; M712-L750 HydrophobicContact CE-CD1 4.31Å; M712-L750 HydrophobicContact CE-CD2 3.9Å; M712-L750 HydrophobicContact CE-CG 4.47Å; M712-L750 HydrophobicContact SD-CD2 4.31Å; I716-L750 HydrophobicContact CD1-CB 4.07Å; I716-L750 HydrophobicContact CD1-CD1 4.46Å; Y719-L750 HydrophobicContact CD1-CD1 4.09Å; Y719-L750 HydrophobicContact CE1-CD1 3.49Å; Y719-L750 VanDerWaalsContact CE1-CD1 3.49Å; Y719-L750 HydrophobicContact CE2-CD1 4.14Å; L739-L750 HydrophobicContact CD1-CD2 3.74Å; L739-L750 HydrophobicContact CD2-CD2 3.85Å; L739-L750 HydrophobicContact CG-CD2 4.25Å; V746-L750 VanDerWaalsContact O-CB 3.26Å; V746-L750 WeakPolarHBondContact O-CB 3.43Å; V746-L750 PolarHBondContact O-N 3.37Å; L750-Q752 PolarHBondContact O-N 2.86Å; L750-L753 PolarHBondContact O-N 3.43Å; L750-L754 HydrophobicContact CD1-CG 4.29Å; L750-L754 HydrophobicContact CG-CD1 4.3Å; L750-L754 VanDerWaalsContact O-CG 3.31Å; L750-L754 WeakPolarHBondContact O-CG 3.29Å; L750-L754 PolarHBondContact O-N 3.21Å; L750-L766 HydrophobicContact CD2-CD2 4.12Å; L750-L766 HydrophobicContact CG-CD2 4.06Å
751	K	92.4	Very high	89.8	Confident	20 Å²	20	57.1 Å²	57.1	9%	0.087	30%	0.303	C	S	.	.	H	α-helix	trans	-60.2	-45.1	173.7	169.3	-177.1	165.7	-178.7	0	111.8	F747 Y748 D749 L753 L754 I755 L766 A767 A772	F747-K751 WeakPolarHBondContact O-CB 3.37Å; F747-K751 PolarHBondContact O-N 3.05Å; Y748-K751 WeakPolarHBondContact O-CB 3.37Å; Y748-K751 PolarHBondContact O-N 3.09Å; D749-K751 PolarHBondContact O-N 2.74Å; K751-L753 VanDerWaalsContact C-N 3.28Å; K751-L753 PolarHBondContact O-N 2.95Å; K751-L754 PolarHBondContact O-N 3.41Å; K751-I755 HydrophobicContact CG-CD1 3.75Å; K751-I755 WeakPolarHBondContact O-CB 3.47Å; K751-I755 WeakPolarHBondContact O-CD1 3.43Å; K751-I755 VanDerWaalsContact O-CG1 3.23Å; K751-I755 WeakPolarHBondContact O-CG1 3.46Å; K751-I755 PolarHBondContact O-N 3.07Å; K751-L766 HydrophobicContact CB-CD2 4.39Å; K751-L766 HydrophobicContact CB-CG 4.25Å; K751-A767 WeakPolarHBondContact CE-O 3.48Å; K751-A767 PolarHBondContact NZ-O 3.39Å; K751-A772 HydrophobicContact CD-CB 3.85Å; K751-A772 VanDerWaalsContact CD-O 3.28Å; K751-A772 WeakPolarHBondContact CD-O 3.45Å; K751-A772 PolarHBondContact NZ-O 3.23Å
752	Q	89.5	Confident	89.5	Confident	60 Å²	60	49 Å²	49	28%	0.28	27%	0.271	S	S	.	.	H	α-helix	trans	-62.4	-39.2	177	-66.5	-57.3	-37.1	0	0	111.6	Y748 D749 L750 I755 Q756	Y748-Q752 HydrophobicContact CD1-CG 4.12Å; Y748-Q752 HydrophobicContact CE1-CG 3.61Å; Y748-Q752 WeakPolarHBondContact O-CG 3.31Å; Y748-Q752 PolarHBondContact O-N 2.98Å; D749-Q752 PolarHBondContact O-N 3.36Å; L750-Q752 PolarHBondContact O-N 2.86Å; Q752-I755 PolarHBondContact O-N 3.05Å; Q752-Q756 VanDerWaalsContact O-CG 3.26Å; Q752-Q756 WeakPolarHBondContact O-CG 3.31Å; Q752-Q756 PolarHBondContact O-N 3.43Å; Q752-Q756 VanDerWaalsContact O-N 3.11Å; Q752-Q756 PolarHBondContact O-NE2 3.47Å
753	L	87.7	Confident	89.4	Confident	16 Å²	16	42.8 Å²	42.8	8%	0.084	24%	0.244	C	C	.	.	H	α-helix	trans	-66.4	-45.8	179.3	-169.7	168.1	0	0	0	111.5	T607 I716 Y719 V720 D749 L750 K751 I755 Q756 S757	T607-L753 HydrophobicContact CG2-CD1 4.1Å; T607-L753 HydrophobicContact CG2-CD2 3.34Å; T607-L753 HydrophobicContact CG2-CG 3.69Å; I716-L753 HydrophobicContact CD1-CD1 3.76Å; I716-L753 HydrophobicContact CG1-CD1 3.8Å; Y719-L753 HydrophobicContact CD1-CD1 3.79Å; Y719-L753 HydrophobicContact CE1-CD1 3.91Å; Y719-L753 HydrophobicContact CE1-CD2 4.1Å; V720-L753 HydrophobicContact CG2-CD1 3.69Å; D749-L753 VanDerWaalsContact O-CB 3.27Å; D749-L753 WeakPolarHBondContact O-CB 3.44Å; D749-L753 PolarHBondContact O-N 2.99Å; L750-L753 PolarHBondContact O-N 3.43Å; K751-L753 VanDerWaalsContact C-N 3.28Å; K751-L753 PolarHBondContact O-N 2.95Å; L753-I755 PolarHBondContact O-N 3.31Å; L753-Q756 PolarHBondContact O-N 3.44Å; L753-S757 PolarHBondContact O-N 3.12Å
754	L	90.7	Very high	89.2	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-62	-41.5	174.4	-68.3	172.4	0	0	0	112.4	Q612 V614 L750 K751 Q756 S757 C762 L766	Q612-L754 HydrophobicContact CB-CD2 3.36Å; Q612-L754 HydrophobicContact CG-CD2 4.36Å; V614-L754 HydrophobicContact CG2-CD1 3.9Å; V614-L754 HydrophobicContact CG2-CD2 4.48Å; L750-L754 HydrophobicContact CD1-CG 4.29Å; L750-L754 HydrophobicContact CG-CD1 4.3Å; L750-L754 VanDerWaalsContact O-CG 3.31Å; L750-L754 WeakPolarHBondContact O-CG 3.29Å; L750-L754 PolarHBondContact O-N 3.21Å; K751-L754 PolarHBondContact O-N 3.41Å; L754-Q756 PolarHBondContact O-N 3.4Å; L754-S757 PolarHBondContact O-N 3.48Å; L754-S757 VanDerWaalsContact O-N 3.14Å; L754-C762 HydrophobicContact CB-CB 3.93Å; L754-C762 HydrophobicContact CD1-CB 4.46Å; L754-L766 HydrophobicContact CD1-CD2 3.69Å
755	I	88.3	Confident	89	Confident	101 Å²	101	54 Å²	54	52%	0.518	29%	0.292	S	S	.	.	H	α-helix	trans	-65.5	-27.7	177.7	-69.7	167.2	0	0	0	111.8	K751 Q752 L753 C762	K751-I755 HydrophobicContact CG-CD1 3.75Å; K751-I755 WeakPolarHBondContact O-CB 3.47Å; K751-I755 WeakPolarHBondContact O-CD1 3.43Å; K751-I755 VanDerWaalsContact O-CG1 3.23Å; K751-I755 WeakPolarHBondContact O-CG1 3.46Å; K751-I755 PolarHBondContact O-N 3.07Å; Q752-I755 PolarHBondContact O-N 3.05Å; L753-I755 PolarHBondContact O-N 3.31Å; I755-C762 HydrophobicContact CG1-CB 4.18Å
756	Q	85.2	Confident	89	Confident	94 Å²	94	50 Å²	50	44%	0.439	27%	0.266	S	S	.	.	H	α-helix	trans	-82.1	-11.7	175.8	-72.8	170.6	48.2	0	0	113.6	Q752 L753 L754 P758	Q752-Q756 VanDerWaalsContact O-CG 3.26Å; Q752-Q756 WeakPolarHBondContact O-CG 3.31Å; Q752-Q756 PolarHBondContact O-N 3.43Å; Q752-Q756 VanDerWaalsContact O-N 3.11Å; Q752-Q756 PolarHBondContact O-NE2 3.47Å; L753-Q756 PolarHBondContact O-N 3.44Å; L754-Q756 PolarHBondContact O-N 3.4Å; Q756-P758 WeakPolarHBondContact O-CD 3.48Å
757	S	84.8	Confident	88.8	Confident	6 Å²	6	50.7 Å²	50.7	4%	0.042	27%	0.272	C	S	.	.			trans	-89.5	114.9	178.5	-179.8	0	0	0	0	110.4	T607 L753 L754 V759 S760	T607-S757 WeakPolarHBondContact O-CB 3.36Å; T607-S757 PolarHBondContact O-OG 2.94Å; L753-S757 PolarHBondContact O-N 3.12Å; L754-S757 PolarHBondContact O-N 3.48Å; L754-S757 VanDerWaalsContact O-N 3.14Å; S757-V759 PolarHBondContact O-N 2.92Å; S757-V759 WeakPolarHBondContact OG-CG2 3.42Å; S757-S760 WeakPolarHBondContact CB-OG 3.44Å; S757-S760 PolarHBondContact O-N 3.04Å; S757-S760 WeakPolarHBondContact OG-CB 3.27Å; S757-S760 PolarHBondContact OG-N 3.18Å; S757-S760 PolarHBondContact OG-OG 3.49Å
758	P	84.2	Confident	88.6	Confident	109 Å²	109	56.3 Å²	56.3	71%	0.708	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-18	179.1	30.2	-35.6	0	0	0	113.2	Q756	Q756-P758 WeakPolarHBondContact O-CD 3.48Å
759	V	86.3	Confident	88.5	Confident	72 Å²	72	56.6 Å²	56.6	44%	0.436	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-11.7	178.8	-63.7	0	0	0	0	113.3	V610 S757	V610-V759 WeakPolarHBondContact O-CG2 3.44Å; S757-V759 PolarHBondContact O-N 2.92Å; S757-V759 WeakPolarHBondContact OG-CG2 3.42Å
760	S	87.3	Confident	88.4	Confident	14 Å²	14	58.2 Å²	58.2	10%	0.098	32%	0.319	C	S	.	.			trans	-107.1	144.8	-176.5	-50.5	0	0	0	0	111.6	V610 Q612 S757	V610-S760 PolarHBondContact O-OG 3.13Å; Q612-S760 WeakPolarHBondContact CB-OG 3.49Å; Q612-S760 PolarHBondContact N-OG 3.09Å; Q612-S760 PolarHBondContact NE2-OG 3.25Å; S757-S760 WeakPolarHBondContact CB-OG 3.44Å; S757-S760 PolarHBondContact O-N 3.04Å; S757-S760 WeakPolarHBondContact OG-CB 3.27Å; S757-S760 PolarHBondContact OG-N 3.18Å; S757-S760 PolarHBondContact OG-OG 3.49Å
761	T	86.6	Confident	88.3	Confident	124 Å²	124	61.9 Å²	61.9	76%	0.761	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-103.6	116.7	171.4	-61.6	0	0	0	0	109.7	P763	T761-P763 WeakPolarHBondContact O-CD 3.45Å
762	C	85.8	Confident	88.2	Confident	22 Å²	22	61 Å²	61	15%	0.149	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-68.2	118.5	174.4	-171.1	0	0	0	0	109.9	L754 I755	L754-C762 HydrophobicContact CB-CB 3.93Å; L754-C762 HydrophobicContact CD1-CB 4.46Å; I755-C762 HydrophobicContact CG1-CB 4.18Å
763	P	88.5	Confident	88.2	Confident	30 Å²	30	62.5 Å²	62.5	20%	0.195	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-68	140.4	-176.8	27.2	-33.4	0	0	0	110.5	V614 T761 E765 L766 A767	V614-P763 HydrophobicContact CB-CG 3.97Å; V614-P763 HydrophobicContact CG1-CG 4.2Å; T761-P763 WeakPolarHBondContact O-CD 3.45Å; P763-E765 PolarHBondContact O-N 2.97Å; P763-L766 HydrophobicContact CG-CB 4Å; P763-L766 PolarHBondContact O-N 2.88Å; P763-A767 WeakPolarHBondContact O-CB 3.3Å; P763-A767 PolarHBondContact O-N 2.88Å
764	H	89	Confident	88.2	Confident	151 Å²	151	64.4 Å²	64.4	70%	0.699	35%	0.354	S	S	*	.	H	α-helix	trans	-55.9	-29.4	-178.7	-65.5	161.3	0	0	0	113.3	N768	H764-N768 VanDerWaalsContact O-CB 3.29Å; H764-N768 WeakPolarHBondContact O-CB 3.49Å; H764-N768 PolarHBondContact O-N 3.47Å; H764-N768 PolarHBondContact O-ND2 3.31Å
765	E	88.1	Confident	87.9	Confident	123 Å²	123	69.8 Å²	69.8	58%	0.575	38%	0.378	S	S	*	.	H	α-helix	trans	-63.2	-47.1	176.6	-62.9	176.8	178.1	0	0	112	M616 P763 H769	M616-E765 HydrophobicContact CG-CB 4.07Å; P763-E765 PolarHBondContact O-N 2.97Å; E765-H769 WeakPolarHBondContact O-CB 3.5Å; E765-H769 PolarHBondContact O-N 3.3Å; E765-H769 VanDerWaalsContact O-N 3.11Å
766	L	90.4	Very high	87.5	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-73.7	-44.4	174.7	-178.8	60.8	0	0	0	111.2	V614 M616 L739 F747 L750 K751 L754 P763 N768 H769 A772	V614-L766 HydrophobicContact CG1-CD2 4.34Å; M616-L766 HydrophobicContact CE-CB 3.81Å; M616-L766 HydrophobicContact CE-CD1 3.56Å; M616-L766 HydrophobicContact CE-CG 4.26Å; L739-L766 HydrophobicContact CD1-CD1 4.06Å; L739-L766 HydrophobicContact CD1-CD2 4.17Å; F747-L766 HydrophobicContact CB-CD1 3.82Å; F747-L766 HydrophobicContact CD1-CD1 4.19Å; F747-L766 HydrophobicContact CD2-CD1 3.97Å; F747-L766 HydrophobicContact CG-CD1 3.74Å; L750-L766 HydrophobicContact CD2-CD2 4.12Å; L750-L766 HydrophobicContact CG-CD2 4.06Å; K751-L766 HydrophobicContact CB-CD2 4.39Å; K751-L766 HydrophobicContact CB-CG 4.25Å; L754-L766 HydrophobicContact CD1-CD2 3.69Å; P763-L766 HydrophobicContact CG-CB 4Å; P763-L766 PolarHBondContact O-N 2.88Å; L766-N768 PolarHBondContact O-N 3.24Å; L766-H769 PolarHBondContact O-N 2.98Å; L766-H769 VanDerWaalsContact O-N 3.15Å; L766-A772 HydrophobicContact CD1-CB 4.14Å; L766-A772 WeakPolarHBondContact O-CB 3.35Å
767	A	90.2	Very high	87.1	Confident	21 Å²	21	67.5 Å²	67.5	17%	0.174	39%	0.393	C	S	.	.	H	α-helix	trans	-56.8	-37.3	-177.7	0	0	0	0	0	112.4	K751 P763 Q773	K751-A767 WeakPolarHBondContact CE-O 3.48Å; K751-A767 PolarHBondContact NZ-O 3.39Å; P763-A767 WeakPolarHBondContact O-CB 3.3Å; P763-A767 PolarHBondContact O-N 2.88Å; A767-Q773 PolarHBondContact O-NE2 2.92Å
768	N	90	Very high	86.5	Confident	120 Å²	120	72.4 Å²	72.4	64%	0.642	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-0.7	-179.4	-59.6	-47.3	0	0	0	114.3	H764 L766 Q773	H764-N768 VanDerWaalsContact O-CB 3.29Å; H764-N768 WeakPolarHBondContact O-CB 3.49Å; H764-N768 PolarHBondContact O-N 3.47Å; H764-N768 PolarHBondContact O-ND2 3.31Å; L766-N768 PolarHBondContact O-N 3.24Å; N768-Q773 VanDerWaalsContact C-NE2 3.35Å
769	H	90.2	Very high	85.2	Confident	49 Å²	49	75.4 Å²	75.4	23%	0.227	43%	0.427	C	S	.	.			trans	-59.3	138.1	179.4	-158.1	-93.1	0	0	0	110.7	F747 E765 L766 D771 A772 Q773	F747-H769 HydrophobicContact CD2-CB 4.25Å; F747-H769 AromaticContact CD2-CE1 3.99Å; F747-H769 AromaticContact CD2-CG 3.8Å; F747-H769 AromaticContact CD2-ND1 3.44Å; F747-H769 WeakPolarHBondContact CD2-ND1 3.37Å; F747-H769 AromaticContact CE2-CE1 3.6Å; F747-H769 AromaticContact CE2-CG 3.79Å; F747-H769 AromaticContact CE2-ND1 3.49Å; F747-H769 WeakPolarHBondContact CE2-ND1 3.38Å; F747-H769 AromaticContact CE2-NE2 3.96Å; E765-H769 WeakPolarHBondContact O-CB 3.5Å; E765-H769 PolarHBondContact O-N 3.3Å; E765-H769 VanDerWaalsContact O-N 3.11Å; L766-H769 PolarHBondContact O-N 2.98Å; L766-H769 VanDerWaalsContact O-N 3.15Å; H769-D771 VanDerWaalsContact C-N 3.33Å; H769-D771 IonicContact CE1-OD2 2.81Å; H769-D771 PolarHBondContact CE1-OD2 2.91Å; H769-D771 PolarHBondContact ND1-N 3.47Å; H769-D771 IonicContact ND1-OD2 3.25Å; H769-D771 PolarHBondContact ND1-OD2 2.85Å; H769-D771 PolarHBondContact O-N 2.93Å; H769-A772 HydrophobicContact CB-CB 3.95Å; H769-A772 PolarHBondContact O-N 2.91Å; H769-Q773 WeakPolarHBondContact O-CG 3.27Å; H769-Q773 PolarHBondContact O-NE2 3.33Å
770	P	89.6	Confident	83.7	Confident	89 Å²	89	74.5 Å²	74.5	58%	0.578	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-55	-46.8	179.7	19.6	-32.9	0	0	0	112.5	A772 Q773	P770-A772 PolarHBondContact O-N 3.47Å; P770-Q773 PolarHBondContact O-N 3.46Å; P770-Q773 VanDerWaalsContact O-N 3.16Å
771	D	89.4	Confident	81.9	Confident	78 Å²	78	78.5 Å²	78.5	42%	0.417	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-72	-10.6	-178.8	-49.5	-54.2	0	0	0	113.7	A744 F747 H769	A744-D771 HydrophobicContact CB-CB 4.07Å; F747-D771 HydrophobicContact CD2-CB 4.38Å; H769-D771 VanDerWaalsContact C-N 3.33Å; H769-D771 IonicContact CE1-OD2 2.81Å; H769-D771 PolarHBondContact CE1-OD2 2.91Å; H769-D771 PolarHBondContact ND1-N 3.47Å; H769-D771 IonicContact ND1-OD2 3.25Å; H769-D771 PolarHBondContact ND1-OD2 2.85Å; H769-D771 PolarHBondContact O-N 2.93Å
772	A	90.4	Very high	80.2	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-91.5	4	173.8	0	0	0	0	0	113.5	F747 K751 L766 H769 P770	F747-A772 HydrophobicContact CB-CB 4Å; K751-A772 HydrophobicContact CD-CB 3.85Å; K751-A772 VanDerWaalsContact CD-O 3.28Å; K751-A772 WeakPolarHBondContact CD-O 3.45Å; K751-A772 PolarHBondContact NZ-O 3.23Å; L766-A772 HydrophobicContact CD1-CB 4.14Å; L766-A772 WeakPolarHBondContact O-CB 3.35Å; H769-A772 HydrophobicContact CB-CB 3.95Å; H769-A772 PolarHBondContact O-N 2.91Å; P770-A772 PolarHBondContact O-N 3.47Å
773	Q	89	Confident	78.2	Confident	93 Å²	93	90.1 Å²	90.1	44%	0.435	50%	0.498	S	S	.	.	S	Bend	trans	-92.9	-25.9	-179.4	-53.9	-46.4	-43.4	0	0	113.7	A767 N768 H769 P770	A767-Q773 PolarHBondContact O-NE2 2.92Å; N768-Q773 VanDerWaalsContact C-NE2 3.35Å; H769-Q773 WeakPolarHBondContact O-CG 3.27Å; H769-Q773 PolarHBondContact O-NE2 3.33Å; P770-Q773 PolarHBondContact O-N 3.46Å; P770-Q773 VanDerWaalsContact O-N 3.16Å
774	T	87.5	Confident	75.9	Confident	56 Å²	56	100.4 Å²	100.4	34%	0.344	53%	0.533	S	S	.	.	S	Bend	trans	-126.4	146.7	-176.9	49.4	0	0	0	0	111.3	Y748 A780	Y748-T774 WeakPolarHBondContact CB-O 3.47Å; Y748-T774 WeakPolarHBondContact CD2-O 3.33Å; T774-A780 HydrophobicContact CG2-CB 3.8Å
775	K	85.9	Confident	73.6	Confident	114 Å²	114	104.1 Å²	104.1	50%	0.496	54%	0.541	S	S	.	.			trans	-58.7	141.9	175.2	-74.6	-173.8	172.3	-167.3	0	111	Y748 I778	Y748-K775 HydrophobicContact CD1-CB 4.49Å; Y748-K775 HydrophobicContact CD1-CG 3.72Å; Y748-K775 HydrophobicContact CE1-CD 4.28Å; Y748-K775 HydrophobicContact CE1-CG 3.41Å; Y748-K775 VanDerWaalsContact CE1-CG 3.41Å; Y748-K775 HydrophobicContact CE2-CG 4.26Å; Y748-K775 HydrophobicContact CG-CG 4.32Å; K775-I778 HydrophobicContact CB-CD1 3.93Å; K775-I778 HydrophobicContact CB-CG1 4.2Å; K775-I778 PolarHBondContact O-N 2.82Å
776	P	78.4	Confident	71.4	Confident	60 Å²	60	102.4 Å²	102.4	39%	0.39	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	145.2	174.9	-20.6	32.4	0	0	0	111.1	P745 I778	P745-P776 WeakPolarHBondContact O-CG 3.34Å; P776-I778 PolarHBondContact O-N 2.92Å; P776-I778 VanDerWaalsContact O-N 3.17Å
777	G	76.5	Confident	69	Low	86 Å²	86	111.3 Å²	111.3	89%	0.887	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	77.6	-16.5	-178.4	0	0	0	0	0	115.6	L779	G777-L779 PolarHBondContact O-N 3.35Å
778	I	73.7	Confident	66.7	Low	110 Å²	110	118.9 Å²	118.9	56%	0.564	62%	0.621	S	S	*	*	S	Bend	trans	-83.3	114	169.6	-54.6	-172.7	0	0	0	108.6	K775 P776 A780	K775-I778 HydrophobicContact CB-CD1 3.93Å; K775-I778 HydrophobicContact CB-CG1 4.2Å; K775-I778 PolarHBondContact O-N 2.82Å; P776-I778 PolarHBondContact O-N 2.92Å; P776-I778 VanDerWaalsContact O-N 3.17Å; I778-A780 PolarHBondContact O-N 2.85Å
779	L	56.4	Low	64.8	Low	172 Å²	172	119 Å²	119	90%	0.901	63%	0.627	S	S	*	*			trans	-61.2	95.9	172.2	-94.8	151.3	0	0	0	110.3	G777 A781	G777-L779 PolarHBondContact O-N 3.35Å; L779-A781 PolarHBondContact O-N 3.37Å; L779-A781 VanDerWaalsContact O-N 3.1Å
780	A	53.9	Low	62.9	Low	53 Å²	53	122.4 Å²	122.4	44%	0.438	65%	0.651	S	S	.	*			trans	-60	113.3	170.2	0	0	0	0	0	108.9	T774 I778 K782	T774-A780 HydrophobicContact CG2-CB 3.8Å; I778-A780 PolarHBondContact O-N 2.85Å; A780-K782 VanDerWaalsContact C-N 3.34Å; A780-K782 PolarHBondContact O-N 3.35Å
781	A	50.2	Low	61.5	Low	98 Å²	98	128.4 Å²	128.4	81%	0.81	66%	0.663	S	S	*	*			trans	-61.5	98.3	169.8	0	0	0	0	0	108.5	L779 K783	L779-A781 PolarHBondContact O-N 3.37Å; L779-A781 VanDerWaalsContact O-N 3.1Å; A781-K783 PolarHBondContact O-N 2.86Å
782	K	50.2	Low	60.3	Low	201 Å²	201	132.1 Å²	132.1	87%	0.874	68%	0.682	S	S	*	*			trans	-53	104.4	176.2	-92.6	-174.8	173.8	179.7	0	108.4	A780 R784	A780-K782 VanDerWaalsContact C-N 3.34Å; A780-K782 PolarHBondContact O-N 3.35Å; K782-R784 VanDerWaalsContact C-N 3.32Å; K782-R784 PolarHBondContact O-N 3.31Å
783	K	45.7	Very low	58.8	Low	188 Å²	188	141.9 Å²	141.9	82%	0.817	74%	0.741	S	S	*	*			trans	-62.9	97.1	167.3	-97.8	179.9	174.2	170.2	0	107.5	A781 R785	A781-K783 PolarHBondContact O-N 2.86Å; K783-R785 VanDerWaalsContact C-N 3.34Å; K783-R785 PolarHBondContact O-N 3.16Å
784	R	40.2	Very low	57.3	Low	246 Å²	246	144.3 Å²	144.3	93%	0.928	76%	0.757	S	S	*	*			trans	-55.9	97	165.1	-71.6	-178.7	173.3	-179.4	-3.3	108	K782	K782-R784 VanDerWaalsContact C-N 3.32Å; K782-R784 PolarHBondContact O-N 3.31Å
785	R	40.3	Very low	55.8	Low	229 Å²	229	148.9 Å²	148.9	86%	0.864	78%	0.778	S	S	*	*			trans	-150.3	21	179.1	-105.1	-166.7	-177.1	-168.7	-0.3	113.8	K783	K783-R785 VanDerWaalsContact C-N 3.34Å; K783-R785 PolarHBondContact O-N 3.16Å
786	A	41.1	Very low	54.1	Low	88 Å²	88	150.9 Å²	150.9	73%	0.727	79%	0.794	S	S	*	*	S	Bend	trans	-143.7	71.1	175.7	0	0	0	0	0	109.4
787	E	41.1	Very low	52.6	Low	187 Å²	187	156.2 Å²	156.2	87%	0.874	82%	0.818	S	S	*	*	S	Bend	trans	-175	148.9	157.8	-101.8	147.3	-150.9	0	0	106.9
788	E	41.9	Very low	51.2	Low	179 Å²	179	160.6 Å²	160.6	84%	0.836	81%	0.813	S	S	*	*			trans	63.3	73.9	176.1	-58.8	-177.5	172.8	0	0	118.2
789	T	50.2	Low	49.7	Very low	124 Å²	124	164 Å²	164	76%	0.761	83%	0.83	S	S	*	*			trans	-110.3	94.3	132.4	45.3	0	0	0	0	108.5
790	V	50.5	Low	49.2	Very low	119 Å²	119	163.4 Å²	163.4	72%	0.721	83%	0.825	S	S	*	*			trans	-72	123	170.4	177.8	0	0	0	0	108.2	I792	V790-I792 PolarHBondContact O-N 3.3Å
791	Y	59.7	Low	48.8	Very low	215 Å²	215	171.9 Å²	171.9	84%	0.843	86%	0.855	S	S	*	*			trans	-76.2	112.8	166.4	-67.4	-90.1	0	0	0	108.2
792	I	63.7	Low	48.7	Very low	157 Å²	157	178.1 Å²	178.1	81%	0.805	86%	0.859	S	S	*	*			trans	-80.3	130.8	160	-57.8	177.5	0	0	0	106.3	V790	V790-I792 PolarHBondContact O-N 3.3Å
793	T	59.9	Low	48.6	Very low	204 Å²	204	176 Å²	176	100%	1.252	86%	0.857	S	S	*	*			trans	-60.5	0	-179.6	49.8	0	0	0	0	113.4

Retrieved 793 of 793 residues in 1451.7 ms (Link to these results)

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