A0A077Z414_TRITR Loading...

SPRY domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z414, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 567 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.6	Very low	38	Very low	244 Å²	244	157.5 Å²	157.5	100%	1.202	85%	0.851	S	S	*	*				0	110.7	0	-74.7	-172.9	-100.5	0	0	107.1
2	G	43.7	Very low	37.4	Very low	84 Å²	84	165.8 Å²	165.8	87%	0.866	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-65	138.7	-175.8	0	0	0	0	0	112
3	Q	37.2	Very low	36.9	Very low	190 Å²	190	170.8 Å²	170.8	89%	0.888	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-75.5	122.1	174.3	-84.3	176.3	-23.1	0	0	109.7
4	C	43.2	Very low	36.2	Very low	108 Å²	108	172.5 Å²	172.5	73%	0.73	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-80.5	125.9	171.3	177.2	0	0	0	0	109.5	C6	C4-C6 PolarHBondContact O-N 3.49Å; C4-C6 VanDerWaalsContact SG-SG 3.61Å
5	M	40.4	Very low	36.1	Very low	186 Å²	186	176.8 Å²	176.8	92%	0.916	87%	0.867	S	S	*	*			trans	-98.5	48.7	-177.2	-68.6	-106.2	-86.3	0	0	112.1
6	C	38.8	Very low	35.7	Very low	95 Å²	95	180.8 Å²	180.8	64%	0.642	87%	0.869	S	S	*	*			trans	-96.2	139.3	171.3	-64.3	0	0	0	0	110.7	C4 S8	C4-C6 PolarHBondContact O-N 3.49Å; C4-C6 VanDerWaalsContact SG-SG 3.61Å; C6-S8 PolarHBondContact O-N 3.04Å; C6-S8 VanDerWaalsContact O-N 3.09Å
7	P	39.9	Very low	35.4	Very low	127 Å²	127	179.9 Å²	179.9	83%	0.825	87%	0.871	S	S	*	*			trans	-64	115.2	-177	-14.7	27.2	0	0	0	110.5	R9	P7-R9 PolarHBondContact O-N 2.67Å; P7-R9 VanDerWaalsContact O-N 3.16Å
8	S	37.3	Very low	35.2	Very low	107 Å²	107	183.2 Å²	183.2	75%	0.748	87%	0.872	S	S	*	*			trans	-65.4	113.4	179.6	46.1	0	0	0	0	110.5	C6 S10	C6-S8 PolarHBondContact O-N 3.04Å; C6-S8 VanDerWaalsContact O-N 3.09Å; S8-S10 VanDerWaalsContact C-N 3.35Å; S8-S10 PolarHBondContact O-N 3.1Å
9	R	32.9	Very low	35.1	Very low	258 Å²	258	179 Å²	179	97%	0.974	87%	0.865	S	S	*	*			trans	-68.4	90.7	164.8	-82.6	-178.1	170.9	-179.1	-1.7	108.9	P7	P7-R9 PolarHBondContact O-N 2.67Å; P7-R9 VanDerWaalsContact O-N 3.16Å
10	S	35.8	Very low	35.2	Very low	97 Å²	97	177.6 Å²	177.6	68%	0.678	86%	0.862	S	S	*	*			trans	-129.3	102.1	165.3	78.9	0	0	0	0	113.1	S8	S8-S10 VanDerWaalsContact C-N 3.35Å; S8-S10 PolarHBondContact O-N 3.1Å
11	R	31.5	Very low	35.2	Very low	237 Å²	237	175.2 Å²	175.2	89%	0.894	85%	0.853	S	S	*	*			trans	53.3	99.8	137.8	-66.4	-180	174.7	174.7	-2.1	117.7	R13	R11-R13 PolarHBondContact O-N 3.48Å
12	R	30.2	Very low	35.4	Very low	257 Å²	257	169.6 Å²	169.6	97%	0.97	84%	0.838	S	S	*	*			trans	-26.4	103.9	147.2	-77.7	175.9	173	169.2	-3.1	111.3
13	R	30.9	Very low	35.5	Very low	230 Å²	230	172.8 Å²	172.8	87%	0.868	83%	0.83	S	S	*	*			trans	-104.8	106	154.9	-94.5	-178.7	169.2	175	-2.8	106.5	R11 R15	R11-R13 PolarHBondContact O-N 3.48Å; R13-R15 PolarHBondContact O-N 3.23Å
14	E	28.2	Very low	36.2	Very low	195 Å²	195	171.2 Å²	171.2	91%	0.911	83%	0.828	S	S	*	*			trans	-54.8	100	165.8	-70.8	170.7	161.5	0	0	108.6
15	R	33.9	Very low	37.1	Very low	237 Å²	237	171.5 Å²	171.5	89%	0.894	83%	0.831	S	S	*	*			trans	-97.1	110.8	163.6	-93.2	-176.2	170.7	178	-2.8	107.8	R13	R13-R15 PolarHBondContact O-N 3.23Å
16	R	30.2	Very low	38.9	Very low	240 Å²	240	166.6 Å²	166.6	91%	0.906	81%	0.808	S	S	*	*			trans	-39.1	128.7	174.4	-72	169.9	171.2	173.4	-4.6	112.2	R18	R16-R18 PolarHBondContact O-N 3.14Å
17	N	29.9	Very low	41.1	Very low	167 Å²	167	164.5 Å²	164.5	89%	0.893	79%	0.794	S	S	*	*			trans	-43.8	105.6	164.5	-71.8	-16.8	0	0	0	110.8
18	R	32.2	Very low	43.2	Very low	238 Å²	238	161.2 Å²	161.2	90%	0.898	78%	0.778	S	S	*	*			trans	-106.5	111	151.1	-84.3	-173.9	173.4	-178.4	-2.5	106.6	R16	R16-R18 PolarHBondContact O-N 3.14Å
19	S	33	Very low	45.4	Very low	104 Å²	104	159.4 Å²	159.4	73%	0.727	76%	0.762	S	S	*	*			trans	-50.4	145.3	164.9	44.4	0	0	0	0	112
20	N	36.7	Very low	47.8	Very low	151 Å²	151	152.2 Å²	152.2	81%	0.807	74%	0.74	S	S	*	*			trans	80.6	63.2	168.6	-60.8	-2	0	0	0	116.5
21	D	35.9	Very low	50.2	Low	127 Å²	127	149.8 Å²	149.8	68%	0.679	73%	0.726	S	S	*	*			trans	-126.7	99.8	142.8	-79.3	-46.3	0	0	0	107	E23	D21-E23 HydrophobicContact CB-CB 4.28Å; D21-E23 HydrophobicContact CB-CG 3.9Å; D21-E23 PolarHBondContact O-N 2.94Å
22	S	41.4	Very low	52.8	Low	126 Å²	126	139.5 Å²	139.5	88%	0.881	69%	0.688	S	S	*	*			trans	-68.5	63.7	152.3	52.7	0	0	0	0	107.1	N24	S22-N24 PolarHBondContact O-N 3.05Å
23	E	45.7	Very low	55.4	Low	152 Å²	152	127.7 Å²	127.7	71%	0.71	65%	0.646	S	S	*	*			trans	-67.5	121.3	173.5	-102.4	171.4	-172.9	0	0	106.6	D21 S25	D21-E23 HydrophobicContact CB-CB 4.28Å; D21-E23 HydrophobicContact CB-CG 3.9Å; D21-E23 PolarHBondContact O-N 2.94Å; E23-S25 PolarHBondContact O-N 2.74Å
24	N	51.6	Low	58.1	Low	156 Å²	156	121.3 Å²	121.3	83%	0.834	63%	0.626	S	S	*	*			trans	-37	97.7	174.8	-70.9	-31.3	0	0	0	111.3	S22 I26	S22-N24 PolarHBondContact O-N 3.05Å; N24-I26 VanDerWaalsContact C-N 3.33Å; N24-I26 PolarHBondContact O-N 2.57Å
25	S	63.7	Low	60.9	Low	114 Å²	114	116 Å²	116	80%	0.797	60%	0.603	S	S	*	*			trans	-73.2	95.7	170.6	62.6	0	0	0	0	106.9	E23 S27	E23-S25 PolarHBondContact O-N 2.74Å; S25-S27 PolarHBondContact O-N 3.15Å
26	I	77.6	Confident	63.5	Low	84 Å²	84	105.1 Å²	105.1	43%	0.431	56%	0.563	S	S	.	*			trans	-52.2	130.2	170.5	-61.5	174.6	0	0	0	107.3	N24 E30 A31	N24-I26 VanDerWaalsContact C-N 3.33Å; N24-I26 PolarHBondContact O-N 2.57Å; I26-E30 HydrophobicContact CG2-CB 3.39Å; I26-A31 HydrophobicContact CG2-CB 4.05Å
27	S	85.4	Confident	66.2	Low	50 Å²	50	101.8 Å²	101.8	35%	0.35	55%	0.55	S	S	.	*			trans	-63.2	153	177.8	66.1	0	0	0	0	110.5	S25 T29 E30 A31	S25-S27 PolarHBondContact O-N 3.15Å; S27-T29 PolarHBondContact O-N 3.33Å; S27-T29 VanDerWaalsContact O-N 3.16Å; S27-E30 WeakPolarHBondContact CB-OE2 3.45Å; S27-E30 PolarHBondContact N-OE2 2.89Å; S27-E30 PolarHBondContact O-N 3.02Å; S27-E30 WeakPolarHBondContact OG-CB 3.44Å; S27-E30 WeakPolarHBondContact OG-CG 3.29Å; S27-E30 PolarHBondContact OG-N 2.6Å; S27-E30 PolarHBondContact OG-OE2 3.3Å; S27-A31 PolarHBondContact O-N 2.75Å
28	A	83.2	Confident	68.9	Low	59 Å²	59	102.2 Å²	102.2	49%	0.488	54%	0.544	S	S	.	.	H	α-helix	trans	-54.5	-38.1	179.1	0	0	0	0	0	112.3	A31 Q32 E79	A28-A31 PolarHBondContact O-N 3.08Å; A28-Q32 WeakPolarHBondContact O-CB 3.48Å; A28-Q32 PolarHBondContact O-N 2.93Å; A28-E79 HydrophobicContact CB-CG 3.91Å
29	T	83.3	Confident	71.5	Confident	68 Å²	68	95.5 Å²	95.5	42%	0.417	53%	0.526	S	S	.	.	H	α-helix	trans	-63.6	-44	174.9	-49.6	0	0	0	0	112.6	S27 Q32 G33	S27-T29 PolarHBondContact O-N 3.33Å; S27-T29 VanDerWaalsContact O-N 3.16Å; T29-Q32 PolarHBondContact O-N 2.95Å; T29-G33 PolarHBondContact O-N 2.96Å
30	E	83.9	Confident	74.1	Confident	108 Å²	108	93.8 Å²	93.8	51%	0.505	53%	0.525	S	S	.	.	H	α-helix	trans	-67.2	-40.8	177.9	-74.5	163.3	150.7	0	0	111.5	I26 S27 G33 E34	I26-E30 HydrophobicContact CG2-CB 3.39Å; S27-E30 WeakPolarHBondContact CB-OE2 3.45Å; S27-E30 PolarHBondContact N-OE2 2.89Å; S27-E30 PolarHBondContact O-N 3.02Å; S27-E30 WeakPolarHBondContact OG-CB 3.44Å; S27-E30 WeakPolarHBondContact OG-CG 3.29Å; S27-E30 PolarHBondContact OG-N 2.6Å; S27-E30 PolarHBondContact OG-OE2 3.3Å; E30-G33 CarbonylContact O-C 3.57Å; E30-G33 PolarHBondContact O-N 2.93Å; E30-E34 WeakPolarHBondContact O-CG 3.41Å; E30-E34 PolarHBondContact O-N 3.22Å
31	A	85.4	Confident	76.6	Confident	46 Å²	46	88.3 Å²	88.3	38%	0.38	50%	0.495	S	S	.	.	H	α-helix	trans	-62.7	-42.6	176.5	0	0	0	0	0	111.6	I26 S27 A28 G33 E34 L35	I26-A31 HydrophobicContact CG2-CB 4.05Å; S27-A31 PolarHBondContact O-N 2.75Å; A28-A31 PolarHBondContact O-N 3.08Å; A31-G33 VanDerWaalsContact C-N 3.35Å; A31-E34 PolarHBondContact O-N 3.06Å; A31-L35 WeakPolarHBondContact O-CB 3.1Å; A31-L35 PolarHBondContact O-N 3.34Å
32	Q	87.4	Confident	79.2	Confident	21 Å²	21	86.3 Å²	86.3	10%	0.098	48%	0.484	C	S	.	.	H	α-helix	trans	-62.4	-42.7	172.9	-174.8	67.7	22.5	0	0	110.9	A28 T29 E34 L35 L36 N77 E79 M83	A28-Q32 WeakPolarHBondContact O-CB 3.48Å; A28-Q32 PolarHBondContact O-N 2.93Å; T29-Q32 PolarHBondContact O-N 2.95Å; Q32-E34 PolarHBondContact O-N 2.88Å; Q32-L35 WeakPolarHBondContact O-CB 3.48Å; Q32-L35 PolarHBondContact O-N 2.84Å; Q32-L36 WeakPolarHBondContact O-CG 3.28Å; Q32-L36 PolarHBondContact O-N 3.43Å; Q32-N77 PolarHBondContact OE1-ND2 3.15Å; Q32-N77 VanDerWaalsContact OE1-ND2 3.08Å; Q32-E79 HydrophobicContact CB-CB 4.08Å; Q32-E79 HydrophobicContact CG-CB 4.11Å; Q32-M83 HydrophobicContact CB-SD 4.22Å; Q32-M83 HydrophobicContact CG-SD 3.73Å
33	G	85	Confident	81.6	Confident	8 Å²	8	80.8 Å²	80.8	8%	0.082	45%	0.445	C	S	.	.	H	α-helix	trans	-62	-40.2	175.7	0	0	0	0	0	113.6	T29 E30 A31 L36 R37	T29-G33 PolarHBondContact O-N 2.96Å; E30-G33 CarbonylContact O-C 3.57Å; E30-G33 PolarHBondContact O-N 2.93Å; A31-G33 VanDerWaalsContact C-N 3.35Å; G33-L36 PolarHBondContact O-N 3.32Å; G33-R37 WeakPolarHBondContact O-CG 3.4Å; G33-R37 PolarHBondContact O-N 3.02Å
34	E	86.7	Confident	83.7	Confident	97 Å²	97	79 Å²	79	45%	0.453	43%	0.432	S	S	.	.	H	α-helix	trans	-65	-41.3	173.4	-74.5	-177.4	175.3	0	0	112.3	E30 A31 Q32 R37 F38	E30-E34 WeakPolarHBondContact O-CG 3.41Å; E30-E34 PolarHBondContact O-N 3.22Å; A31-E34 PolarHBondContact O-N 3.06Å; Q32-E34 PolarHBondContact O-N 2.88Å; E34-R37 PolarHBondContact O-N 3.26Å; E34-F38 WeakPolarHBondContact O-CB 3.3Å; E34-F38 PolarHBondContact O-N 2.67Å
35	L	86.6	Confident	85.7	Confident	83 Å²	83	74.5 Å²	74.5	44%	0.435	41%	0.412	S	S	.	.	H	α-helix	trans	-60.7	-46.4	175.3	178.3	63.1	0	0	0	111.6	A31 Q32 F38 L39	A31-L35 WeakPolarHBondContact O-CB 3.1Å; A31-L35 PolarHBondContact O-N 3.34Å; Q32-L35 WeakPolarHBondContact O-CB 3.48Å; Q32-L35 PolarHBondContact O-N 2.84Å; L35-F38 WeakPolarHBondContact O-CB 3.31Å; L35-F38 PolarHBondContact O-N 3.18Å; L35-L39 HydrophobicContact CD1-CD1 4.07Å; L35-L39 HydrophobicContact CD1-CG 4.23Å; L35-L39 HydrophobicContact CG-CD1 4.07Å; L35-L39 WeakPolarHBondContact O-CB 3.43Å; L35-L39 VanDerWaalsContact O-CG 3.31Å; L35-L39 WeakPolarHBondContact O-CG 3.14Å; L35-L39 PolarHBondContact O-N 2.78Å
36	L	87.9	Confident	87	Confident	8 Å²	8	69.3 Å²	69.3	4%	0.042	38%	0.375	C	S	.	.	H	α-helix	trans	-62.9	-43.4	177.8	-66.1	-175.9	0	0	0	111.8	Q32 G33 F38 L39 G40 L41 V43 I74 M83	Q32-L36 WeakPolarHBondContact O-CG 3.28Å; Q32-L36 PolarHBondContact O-N 3.43Å; G33-L36 PolarHBondContact O-N 3.32Å; L36-F38 VanDerWaalsContact C-N 3.33Å; L36-F38 PolarHBondContact O-N 2.75Å; L36-L39 CarbonylContact O-C 3.6Å; L36-L39 PolarHBondContact O-N 3Å; L36-G40 PolarHBondContact O-N 2.79Å; L36-L41 HydrophobicContact CB-CB 4.46Å; L36-L41 HydrophobicContact CD2-CB 4.19Å; L36-L41 HydrophobicContact CD2-CD1 4.15Å; L36-L41 PolarHBondContact O-N 2.77Å; L36-V43 HydrophobicContact CD1-CG2 3.85Å; L36-I74 HydrophobicContact CD1-CD1 4.48Å; L36-I74 HydrophobicContact CD1-CG2 4.16Å; L36-I74 HydrophobicContact CD2-CD1 3.9Å; L36-I74 HydrophobicContact CD2-CG1 3.69Å; L36-I74 HydrophobicContact CD2-CG2 4.22Å; L36-M83 HydrophobicContact CD1-CE 3.62Å; L36-M83 HydrophobicContact CD1-SD 4.14Å
37	R	87.8	Confident	87.6	Confident	171 Å²	171	65.4 Å²	65.4	65%	0.645	36%	0.355	S	S	*	.	H	α-helix	trans	-59.5	-43.6	173.7	-75.9	-172	-68.5	-99.3	4.9	111.9	G33 E34 L39 G40	G33-R37 WeakPolarHBondContact O-CG 3.4Å; G33-R37 PolarHBondContact O-N 3.02Å; E34-R37 PolarHBondContact O-N 3.26Å; R37-L39 VanDerWaalsContact C-N 3.33Å; R37-L39 PolarHBondContact O-N 3.47Å; R37-G40 PolarHBondContact O-N 3.22Å; R37-G40 VanDerWaalsContact O-N 3.12Å
38	F	87.5	Confident	87.8	Confident	176 Å²	176	66.3 Å²	66.3	77%	0.772	36%	0.356	S	S	*	.	H	α-helix	trans	-62.4	-39.4	176.9	176.4	-97.5	0	0	0	112.3	E34 L35 L36 G40	E34-F38 WeakPolarHBondContact O-CB 3.3Å; E34-F38 PolarHBondContact O-N 2.67Å; L35-F38 WeakPolarHBondContact O-CB 3.31Å; L35-F38 PolarHBondContact O-N 3.18Å; L36-F38 VanDerWaalsContact C-N 3.33Å; L36-F38 PolarHBondContact O-N 2.75Å; F38-G40 PolarHBondContact O-N 3.4Å
39	L	86.3	Confident	88.1	Confident	97 Å²	97	67.8 Å²	67.8	51%	0.508	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-3.7	176	-65.3	174.9	0	0	0	113.5	L35 L36 R37 L41	L35-L39 HydrophobicContact CD1-CD1 4.07Å; L35-L39 HydrophobicContact CD1-CG 4.23Å; L35-L39 HydrophobicContact CG-CD1 4.07Å; L35-L39 WeakPolarHBondContact O-CB 3.43Å; L35-L39 VanDerWaalsContact O-CG 3.31Å; L35-L39 WeakPolarHBondContact O-CG 3.14Å; L35-L39 PolarHBondContact O-N 2.78Å; L36-L39 CarbonylContact O-C 3.6Å; L36-L39 PolarHBondContact O-N 3Å; R37-L39 VanDerWaalsContact C-N 3.33Å; R37-L39 PolarHBondContact O-N 3.47Å; L39-L41 HydrophobicContact CB-CD1 3.98Å; L39-L41 HydrophobicContact CB-CG 3.88Å; L39-L41 HydrophobicContact CD1-CD1 4.1Å; L39-L41 PolarHBondContact O-N 3.45Å
40	G	86.9	Confident	88.2	Confident	68 Å²	68	64.6 Å²	64.6	70%	0.701	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	25.2	-174.9	0	0	0	0	0	113.4	L36 R37 F38	L36-G40 PolarHBondContact O-N 2.79Å; R37-G40 PolarHBondContact O-N 3.22Å; R37-G40 VanDerWaalsContact O-N 3.12Å; F38-G40 PolarHBondContact O-N 3.4Å
41	L	89.1	Confident	88.3	Confident	36 Å²	36	60 Å²	60	19%	0.188	31%	0.312	C	S	.	.			trans	-96.3	120	179.1	-61.6	177.8	0	0	0	109.7	L36 L39 L46 K70 I74	L36-L41 HydrophobicContact CB-CB 4.46Å; L36-L41 HydrophobicContact CD2-CB 4.19Å; L36-L41 HydrophobicContact CD2-CD1 4.15Å; L36-L41 PolarHBondContact O-N 2.77Å; L39-L41 HydrophobicContact CB-CD1 3.98Å; L39-L41 HydrophobicContact CB-CG 3.88Å; L39-L41 HydrophobicContact CD1-CD1 4.1Å; L39-L41 PolarHBondContact O-N 3.45Å; L41-L46 HydrophobicContact CB-CD1 4.5Å; L41-L46 HydrophobicContact CD2-CD1 4.39Å; L41-K70 HydrophobicContact CD2-CB 4.49Å; L41-K70 HydrophobicContact CD2-CD 3.97Å; L41-K70 HydrophobicContact CD2-CG 4.33Å; L41-I74 HydrophobicContact CB-CD1 4.36Å; L41-I74 HydrophobicContact CD1-CD1 4.3Å; L41-I74 HydrophobicContact CD1-CG1 4.28Å
42	D	91.3	Very high	88.2	Confident	85 Å²	85	60.8 Å²	60.8	46%	0.455	31%	0.312	S	S	.	.			trans	-111.5	116	170.5	-178	-62.9	0	0	0	108.8	R44 C45 L46	D42-R44 VanDerWaalsContact C-N 3.27Å; D42-R44 PolarHBondContact O-N 2.65Å; D42-R44 WeakPolarHBondContact OD1-CA 3.39Å; D42-R44 VanDerWaalsContact OD1-CB 3.3Å; D42-R44 WeakPolarHBondContact OD1-CB 3.26Å; D42-R44 PolarHBondContact OD1-N 2.82Å; D42-C45 HydrophobicContact CB-CB 3.94Å; D42-C45 PolarHBondContact O-N 2.87Å; D42-C45 PolarHBondContact OD1-N 3.12Å; D42-L46 VanDerWaalsContact O-CG 3.3Å; D42-L46 WeakPolarHBondContact O-CG 3.47Å; D42-L46 PolarHBondContact O-N 3.34Å
43	V	91	Very high	88.1	Confident	9 Å²	9	62.1 Å²	62.1	6%	0.055	32%	0.32	C	S	.	.	H	α-helix	trans	-58.9	-39.7	-175.7	174.1	0	0	0	0	111.8	L36 L46 I47 L71 I74 V84 Q87	L36-V43 HydrophobicContact CD1-CG2 3.85Å; V43-L46 PolarHBondContact O-N 2.79Å; V43-I47 HydrophobicContact CG1-CD1 3.89Å; V43-I47 VanDerWaalsContact O-CG1 3.3Å; V43-I47 WeakPolarHBondContact O-CG1 3.22Å; V43-I47 PolarHBondContact O-N 2.83Å; V43-L71 HydrophobicContact CG1-CD2 4.42Å; V43-I74 HydrophobicContact CG2-CD1 4.05Å; V43-I74 HydrophobicContact CG2-CG2 4.46Å; V43-V84 HydrophobicContact CG1-CB 4.23Å; V43-V84 HydrophobicContact CG1-CG1 4.39Å; V43-V84 HydrophobicContact CG1-CG2 3.78Å; V43-V84 HydrophobicContact CG2-CG2 4.39Å; V43-Q87 HydrophobicContact CB-CG 4.13Å; V43-Q87 HydrophobicContact CG1-CB 3.74Å; V43-Q87 HydrophobicContact CG1-CG 3.69Å
44	R	90.8	Very high	87.8	Confident	114 Å²	114	62.1 Å²	62.1	43%	0.43	32%	0.318	S	S	.	.	H	α-helix	trans	-67.2	-45.7	179.5	174.3	-176.3	173.2	179	-0.5	110.4	D42 L46 I47 L48 F91	D42-R44 VanDerWaalsContact C-N 3.27Å; D42-R44 PolarHBondContact O-N 2.65Å; D42-R44 WeakPolarHBondContact OD1-CA 3.39Å; D42-R44 VanDerWaalsContact OD1-CB 3.3Å; D42-R44 WeakPolarHBondContact OD1-CB 3.26Å; D42-R44 PolarHBondContact OD1-N 2.82Å; R44-L46 VanDerWaalsContact C-N 3.3Å; R44-L46 PolarHBondContact O-N 2.95Å; R44-I47 PolarHBondContact O-N 2.87Å; R44-L48 HydrophobicContact CG-CD1 4.22Å; R44-L48 WeakPolarHBondContact O-CG 3.21Å; R44-L48 PolarHBondContact O-N 3.05Å; R44-F91 HydrophobicContact CB-CD2 4.31Å; R44-F91 HydrophobicContact CG-CB 4.17Å; R44-F91 HydrophobicContact CG-CD1 4.45Å; R44-F91 HydrophobicContact CG-CD2 4.02Å; R44-F91 HydrophobicContact CG-CG 3.95Å
45	C	92.4	Very high	87.5	Confident	62 Å²	62	63.2 Å²	63.2	42%	0.419	32%	0.318	S	S	.	.	H	α-helix	trans	-58.3	-44.8	175.5	-68.6	0	0	0	0	110.9	D42 I47 L48 E49	D42-C45 HydrophobicContact CB-CB 3.94Å; D42-C45 PolarHBondContact O-N 2.87Å; D42-C45 PolarHBondContact OD1-N 3.12Å; C45-I47 PolarHBondContact O-N 3.02Å; C45-L48 PolarHBondContact O-N 3.14Å; C45-E49 WeakPolarHBondContact O-CB 3.5Å; C45-E49 VanDerWaalsContact O-CG 3.32Å; C45-E49 WeakPolarHBondContact O-CG 3.02Å; C45-E49 PolarHBondContact O-N 2.84Å
46	L	91.5	Very high	87.2	Confident	6 Å²	6	67.2 Å²	67.2	3%	0.031	33%	0.327	C	S	.	.	H	α-helix	trans	-62.3	-40.2	178.1	-67.8	172.3	0	0	0	112.9	L41 D42 V43 R44 E49 A50 K70 L71 I74	L41-L46 HydrophobicContact CB-CD1 4.5Å; L41-L46 HydrophobicContact CD2-CD1 4.39Å; D42-L46 VanDerWaalsContact O-CG 3.3Å; D42-L46 WeakPolarHBondContact O-CG 3.47Å; D42-L46 PolarHBondContact O-N 3.34Å; V43-L46 PolarHBondContact O-N 2.79Å; R44-L46 VanDerWaalsContact C-N 3.3Å; R44-L46 PolarHBondContact O-N 2.95Å; L46-E49 PolarHBondContact O-N 2.83Å; L46-A50 WeakPolarHBondContact O-CB 3.33Å; L46-A50 PolarHBondContact O-N 2.79Å; L46-K70 HydrophobicContact CD1-CB 4Å; L46-K70 HydrophobicContact CD2-CB 3.92Å; L46-K70 HydrophobicContact CD2-CD 3.59Å; L46-K70 HydrophobicContact CD2-CG 4.44Å; L46-L71 HydrophobicContact CB-CD1 4.36Å; L46-L71 HydrophobicContact CB-CD2 3.79Å; L46-L71 HydrophobicContact CB-CG 3.9Å; L46-L71 HydrophobicContact CD1-CD2 4.19Å; L46-L71 HydrophobicContact CD1-CG 4.44Å; L46-I74 HydrophobicContact CD1-CD1 3.62Å
47	I	89.9	Confident	86.6	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-62.9	-42.8	174.8	-70.1	164	0	0	0	110.9	V43 R44 C45 A50 L51 L71 V84 Q87 L88 V92	V43-I47 HydrophobicContact CG1-CD1 3.89Å; V43-I47 VanDerWaalsContact O-CG1 3.3Å; V43-I47 WeakPolarHBondContact O-CG1 3.22Å; V43-I47 PolarHBondContact O-N 2.83Å; R44-I47 PolarHBondContact O-N 2.87Å; C45-I47 PolarHBondContact O-N 3.02Å; I47-A50 PolarHBondContact O-N 3.41Å; I47-L51 HydrophobicContact CG2-CD1 4.45Å; I47-L51 WeakPolarHBondContact O-CG 3.31Å; I47-L51 PolarHBondContact O-N 3.01Å; I47-L71 HydrophobicContact CG1-CD1 4.39Å; I47-L71 HydrophobicContact CG1-CD2 4.33Å; I47-V84 HydrophobicContact CD1-CG1 4.41Å; I47-Q87 HydrophobicContact CD1-CB 3.66Å; I47-L88 HydrophobicContact CD1-CD2 3.82Å; I47-L88 HydrophobicContact CD1-CG 3.99Å; I47-L88 HydrophobicContact CG1-CD2 3.98Å; I47-L88 HydrophobicContact CG2-CD2 3.99Å; I47-V92 HydrophobicContact CG2-CG2 3.85Å
48	L	89.4	Confident	85.7	Confident	69 Å²	69	65.4 Å²	65.4	36%	0.361	33%	0.327	S	S	.	.	H	α-helix	trans	-69.8	-34.3	178.7	-65.6	176.6	0	0	0	112.6	R44 C45 L51 T52	R44-L48 HydrophobicContact CG-CD1 4.22Å; R44-L48 WeakPolarHBondContact O-CG 3.21Å; R44-L48 PolarHBondContact O-N 3.05Å; C45-L48 PolarHBondContact O-N 3.14Å; L48-L51 HydrophobicContact CD2-CD1 4.02Å; L48-T52 PolarHBondContact O-N 3.27Å; L48-T52 PolarHBondContact O-OG1 3.26Å; L48-T52 VanDerWaalsContact O-OG1 3.09Å
49	E	89.6	Confident	84.6	Confident	91 Å²	91	59.6 Å²	59.6	43%	0.425	30%	0.304	S	S	.	.	H	α-helix	trans	-64.6	-48.1	170.6	-74.2	172.7	-168.5	0	0	110.6	C45 L46 L51 T52 D53	C45-E49 WeakPolarHBondContact O-CB 3.5Å; C45-E49 VanDerWaalsContact O-CG 3.32Å; C45-E49 WeakPolarHBondContact O-CG 3.02Å; C45-E49 PolarHBondContact O-N 2.84Å; L46-E49 PolarHBondContact O-N 2.83Å; E49-L51 VanDerWaalsContact C-N 3.3Å; E49-L51 PolarHBondContact O-N 2.98Å; E49-T52 CarbonylContact O-C 3.4Å; E49-T52 WeakPolarHBondContact O-CA 3.43Å; E49-T52 WeakPolarHBondContact O-CB 3.31Å; E49-T52 PolarHBondContact O-N 3.26Å; E49-D53 VanDerWaalsContact O-CG 3.29Å; E49-D53 PolarHBondContact O-N 3.48Å
50	A	85.9	Confident	83.4	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-57.6	-41	177.6	0	0	0	0	0	112.3	L46 I47 T52 D53 I54 S67 M68 L71	L46-A50 WeakPolarHBondContact O-CB 3.33Å; L46-A50 PolarHBondContact O-N 2.79Å; I47-A50 PolarHBondContact O-N 3.41Å; A50-T52 VanDerWaalsContact C-N 3.26Å; A50-T52 PolarHBondContact O-N 3.37Å; A50-D53 PolarHBondContact O-N 2.97Å; A50-I54 WeakPolarHBondContact O-CD1 3.47Å; A50-I54 WeakPolarHBondContact O-CG1 3Å; A50-I54 PolarHBondContact O-N 3.01Å; A50-S67 WeakPolarHBondContact CA-OG 3.3Å; A50-S67 PolarHBondContact N-OG 3.42Å; A50-M68 HydrophobicContact CB-CG 4.19Å; A50-M68 HydrophobicContact CB-SD 3.93Å; A50-L71 HydrophobicContact CB-CD1 4.4Å
51	L	85.2	Confident	82.1	Confident	13 Å²	13	59.5 Å²	59.5	7%	0.068	29%	0.287	C	S	.	.	H	α-helix	trans	-56.9	-39.9	172.2	-78.4	163.4	0	0	0	112.7	I47 L48 E49 P93 A99 V102	I47-L51 HydrophobicContact CG2-CD1 4.45Å; I47-L51 WeakPolarHBondContact O-CG 3.31Å; I47-L51 PolarHBondContact O-N 3.01Å; L48-L51 HydrophobicContact CD2-CD1 4.02Å; E49-L51 VanDerWaalsContact C-N 3.3Å; E49-L51 PolarHBondContact O-N 2.98Å; L51-P93 HydrophobicContact CD1-CG 4.21Å; L51-A99 HydrophobicContact CD2-CB 4.14Å; L51-V102 HydrophobicContact CB-CG2 4.49Å; L51-V102 HydrophobicContact CD2-CB 3.75Å; L51-V102 HydrophobicContact CD2-CG1 4.26Å; L51-V102 HydrophobicContact CD2-CG2 3.3Å; L51-V102 HydrophobicContact CG-CB 4.28Å; L51-V102 HydrophobicContact CG-CG1 4.27Å; L51-V102 HydrophobicContact CG-CG2 3.78Å
52	T	84.9	Confident	80.8	Confident	62 Å²	62	63.1 Å²	63.1	38%	0.38	30%	0.304	S	S	.	.	H	α-helix	trans	-73.7	-39.1	179.4	-57.8	0	0	0	0	111.3	L48 E49 A50 R56	L48-T52 PolarHBondContact O-N 3.27Å; L48-T52 PolarHBondContact O-OG1 3.26Å; L48-T52 VanDerWaalsContact O-OG1 3.09Å; E49-T52 CarbonylContact O-C 3.4Å; E49-T52 WeakPolarHBondContact O-CA 3.43Å; E49-T52 WeakPolarHBondContact O-CB 3.31Å; E49-T52 PolarHBondContact O-N 3.26Å; A50-T52 VanDerWaalsContact C-N 3.26Å; A50-T52 PolarHBondContact O-N 3.37Å; T52-R56 WeakPolarHBondContact O-CG 3.32Å
53	D	84	Confident	79.7	Confident	49 Å²	49	67.5 Å²	67.5	26%	0.262	32%	0.321	S	S	.	.	H	α-helix	trans	-68.4	-45.4	-177.9	-67.5	-24	0	0	0	111.9	E49 A50 R55 R56 L57 P65 S67	E49-D53 VanDerWaalsContact O-CG 3.29Å; E49-D53 PolarHBondContact O-N 3.48Å; A50-D53 PolarHBondContact O-N 2.97Å; D53-R55 VanDerWaalsContact C-N 3.26Å; D53-R55 PolarHBondContact O-N 3.45Å; D53-R56 CarbonylContact O-C 3.54Å; D53-R56 WeakPolarHBondContact O-CA 3.4Å; D53-R56 WeakPolarHBondContact O-CB 3.49Å; D53-R56 PolarHBondContact O-N 3.25Å; D53-L57 PolarHBondContact O-N 3.12Å; D53-P65 HydrophobicContact CB-CB 3.61Å; D53-P65 HydrophobicContact CB-CG 3.84Å; D53-S67 PolarHBondContact OD2-OG 3.27Å
54	I	79.9	Confident	78.8	Confident	8 Å²	8	70 Å²	70	4%	0.041	33%	0.334	C	S	.	.	H	α-helix	trans	-61	-37.9	179.7	-68.5	156.3	0	0	0	111.2	A50 R56 L57 I98 V102 L105 I331	A50-I54 WeakPolarHBondContact O-CD1 3.47Å; A50-I54 WeakPolarHBondContact O-CG1 3Å; A50-I54 PolarHBondContact O-N 3.01Å; I54-R56 PolarHBondContact O-N 2.7Å; I54-R56 VanDerWaalsContact O-N 3.16Å; I54-L57 HydrophobicContact CB-CD1 4.41Å; I54-L57 HydrophobicContact CG1-CD1 4.33Å; I54-L57 HydrophobicContact CG2-CD1 4.42Å; I54-L57 PolarHBondContact O-N 3.33Å; I54-I98 HydrophobicContact CB-CG2 4.32Å; I54-I98 HydrophobicContact CG2-CG2 3.69Å; I54-V102 HydrophobicContact CD1-CG2 3.38Å; I54-L105 HydrophobicContact CD1-CD2 3.45Å; I54-L105 VanDerWaalsContact CD1-CD2 3.45Å; I54-L105 HydrophobicContact CG1-CD2 3.9Å; I54-I331 HydrophobicContact CG2-CD1 4.13Å
55	R	79.8	Confident	78.1	Confident	120 Å²	120	65.5 Å²	65.5	45%	0.453	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.4	174.5	-167	171.8	-177.7	-179.6	3.6	112.9	D53 I98	D53-R55 VanDerWaalsContact C-N 3.26Å; D53-R55 PolarHBondContact O-N 3.45Å; R55-I98 HydrophobicContact CB-CD1 3.56Å; R55-I98 HydrophobicContact CG-CD1 3.7Å
56	R	79.7	Confident	77.8	Confident	167 Å²	167	65.8 Å²	65.8	63%	0.63	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	9.3	-178.5	-64.6	175.3	179.3	178.2	1.7	112.9	T52 D53 I54 H58	T52-R56 WeakPolarHBondContact O-CG 3.32Å; D53-R56 CarbonylContact O-C 3.54Å; D53-R56 WeakPolarHBondContact O-CA 3.4Å; D53-R56 WeakPolarHBondContact O-CB 3.49Å; D53-R56 PolarHBondContact O-N 3.25Å; I54-R56 PolarHBondContact O-N 2.7Å; I54-R56 VanDerWaalsContact O-N 3.16Å; R56-H58 PolarHBondContact O-CE1 3.25Å; R56-H58 VanDerWaalsContact O-CE1 3.24Å; R56-H58 PolarHBondContact O-N 2.92Å; R56-H58 PolarHBondContact O-ND1 3.31Å
57	L	75.6	Confident	77.6	Confident	39 Å²	39	65.5 Å²	65.5	20%	0.204	33%	0.325	C	S	.	.			trans	-69.8	117.8	175.4	-73.9	171.5	0	0	0	110.5	D53 I54 Q62 P65 R364	D53-L57 PolarHBondContact O-N 3.12Å; I54-L57 HydrophobicContact CB-CD1 4.41Å; I54-L57 HydrophobicContact CG1-CD1 4.33Å; I54-L57 HydrophobicContact CG2-CD1 4.42Å; I54-L57 PolarHBondContact O-N 3.33Å; L57-Q62 HydrophobicContact CD2-CB 4.43Å; L57-P65 HydrophobicContact CD2-CG 4.33Å; L57-R364 VanDerWaalsContact O-CD 3.27Å; L57-R364 WeakPolarHBondContact O-CD 3.3Å; L57-R364 PolarHBondContact O-NH1 3.04Å; L57-R364 VanDerWaalsContact O-NH1 3.11Å
58	H	69.4	Low	77.2	Confident	101 Å²	101	65.5 Å²	65.5	47%	0.468	33%	0.325	S	S	.	.			trans	-100.8	-7.6	-178.6	-68.1	78.9	0	0	0	113	R56 W368 S373	R56-H58 PolarHBondContact O-CE1 3.25Å; R56-H58 VanDerWaalsContact O-CE1 3.24Å; R56-H58 PolarHBondContact O-N 2.92Å; R56-H58 PolarHBondContact O-ND1 3.31Å; H58-W368 VanDerWaalsContact O-CH2 3.31Å; H58-W368 WeakPolarHBondContact O-CH2 3.26Å; H58-S373 VanDerWaalsContact O-CB 3.28Å; H58-S373 WeakPolarHBondContact O-CB 3.33Å; H58-S373 PolarHBondContact O-OG 3.32Å
59	N	64.3	Low	77	Confident	55 Å²	55	65.6 Å²	65.6	29%	0.294	33%	0.328	S	S	.	.			trans	-148.3	149	176.6	-165.1	5.6	0	0	0	110.2	A371	N59-A371 PolarHBondContact OD1-O 2.93Å
60	N	61.3	Low	77	Confident	56 Å²	56	65.3 Å²	65.3	30%	0.299	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-29.2	174.9	-65.9	-22.3	0	0	0	111.5	Q62 G348 Y349 D353	N60-Q62 PolarHBondContact O-N 3.15Å; N60-G348 PolarHBondContact ND2-O 3.1Å; N60-Y349 HydrophobicContact CB-CE1 4.23Å; N60-D353 VanDerWaalsContact ND2-CG 3.29Å; N60-D353 PolarHBondContact ND2-OD1 3.39Å; N60-D353 PolarHBondContact ND2-OD2 2.82Å
61	D	58.2	Low	77.1	Confident	106 Å²	106	65.5 Å²	65.5	57%	0.567	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	9.4	-179.3	-55.1	-34.7	0	0	0	114.2	Y349	D61-Y349 PolarHBondContact OD1-OH 2.97Å
62	Q	62.2	Low	77.1	Confident	113 Å²	113	66.5 Å²	66.5	53%	0.528	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-77.6	138.3	-176.2	-163.7	167.8	3.3	0	0	111.1	L57 N60	L57-Q62 HydrophobicContact CD2-CB 4.43Å; N60-Q62 PolarHBondContact O-N 3.15Å
63	E	68.2	Low	77.1	Confident	177 Å²	177	69.6 Å²	69.6	83%	0.827	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-51.4	145.9	169.7	-69.6	-178.3	169.8	0	0	110.9
64	L	71.9	Confident	77.3	Confident	61 Å²	61	67.4 Å²	67.4	32%	0.319	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-46.1	133.4	174.9	-81.4	160.5	0	0	0	110.3	M68 V69 E109	L64-M68 HydrophobicContact CB-CB 4.37Å; L64-M68 HydrophobicContact CD2-CB 4.05Å; L64-M68 HydrophobicContact CD2-CE 4.48Å; L64-V69 HydrophobicContact CB-CG2 3.83Å; L64-E109 HydrophobicContact CD2-CB 4.48Å; L64-E109 HydrophobicContact CD2-CG 3.89Å
65	P	77.9	Confident	77.7	Confident	19 Å²	19	67.3 Å²	67.3	12%	0.123	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-51	145.5	175	-28.2	34.6	0	0	0	112	D53 L57 S67 M68 V69	D53-P65 HydrophobicContact CB-CB 3.61Å; D53-P65 HydrophobicContact CB-CG 3.84Å; L57-P65 HydrophobicContact CD2-CG 4.33Å; P65-S67 PolarHBondContact O-N 3.27Å; P65-M68 HydrophobicContact CB-CG 4.39Å; P65-M68 HydrophobicContact CG-CG 4.41Å; P65-M68 WeakPolarHBondContact O-CA 3.43Å; P65-M68 WeakPolarHBondContact O-CB 3.25Å; P65-M68 PolarHBondContact O-N 2.78Å; P65-V69 PolarHBondContact O-N 3.48Å
66	A	84.9	Confident	77.9	Confident	68 Å²	68	67.8 Å²	67.8	56%	0.562	35%	0.345	S	S	*	.	H	α-helix	trans	-56.3	-31.1	-177.3	0	0	0	0	0	113	K70	A66-K70 VanDerWaalsContact O-CG 3.29Å; A66-K70 WeakPolarHBondContact O-CG 3.4Å; A66-K70 PolarHBondContact O-N 3.37Å
67	S	87.1	Confident	78.1	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.007	33%	0.331	C	S	.	.	H	α-helix	trans	-61.9	-46.7	172.3	53.6	0	0	0	0	112.1	A50 D53 P65 K70 L71	A50-S67 WeakPolarHBondContact CA-OG 3.3Å; A50-S67 PolarHBondContact N-OG 3.42Å; D53-S67 PolarHBondContact OD2-OG 3.27Å; P65-S67 PolarHBondContact O-N 3.27Å; S67-K70 PolarHBondContact O-N 3.31Å; S67-L71 WeakPolarHBondContact O-CG 3.36Å; S67-L71 PolarHBondContact O-N 2.9Å
68	M	82.3	Confident	78.6	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-65.4	-41.7	175.4	-70.9	-66.8	-66.7	0	0	112.2	A50 L64 P65 K70 L71 N72 L105 E109	A50-M68 HydrophobicContact CB-CG 4.19Å; A50-M68 HydrophobicContact CB-SD 3.93Å; L64-M68 HydrophobicContact CB-CB 4.37Å; L64-M68 HydrophobicContact CD2-CB 4.05Å; L64-M68 HydrophobicContact CD2-CE 4.48Å; P65-M68 HydrophobicContact CB-CG 4.39Å; P65-M68 HydrophobicContact CG-CG 4.41Å; P65-M68 WeakPolarHBondContact O-CA 3.43Å; P65-M68 WeakPolarHBondContact O-CB 3.25Å; P65-M68 PolarHBondContact O-N 2.78Å; M68-K70 VanDerWaalsContact C-N 3.32Å; M68-K70 PolarHBondContact O-N 2.72Å; M68-L71 PolarHBondContact O-N 2.72Å; M68-L71 HydrophobicContact SD-CD1 4.21Å; M68-N72 WeakPolarHBondContact O-CB 3.44Å; M68-N72 PolarHBondContact O-N 3.38Å; M68-L105 HydrophobicContact CE-CD2 4.04Å; M68-L105 HydrophobicContact CE-CG 3.96Å; M68-E109 HydrophobicContact CE-CB 4.12Å; M68-E109 HydrophobicContact CE-CG 4.2Å
69	V	84.9	Confident	79.5	Confident	70 Å²	70	62.5 Å²	62.5	42%	0.424	33%	0.328	S	S	.	.	H	α-helix	trans	-59.4	-44	175.2	176.4	0	0	0	0	110.9	L64 P65 N72 L73	L64-V69 HydrophobicContact CB-CG2 3.83Å; P65-V69 PolarHBondContact O-N 3.48Å; V69-N72 PolarHBondContact O-N 3.32Å; V69-L73 WeakPolarHBondContact O-CG 3.4Å; V69-L73 PolarHBondContact O-N 3.18Å; V69-L73 VanDerWaalsContact O-N 3.13Å
70	K	89.8	Confident	80.7	Confident	85 Å²	85	59.9 Å²	59.9	37%	0.37	31%	0.314	S	S	.	.	H	α-helix	trans	-65.2	-41.6	175.8	-71.5	170.3	-174.9	176.5	0	112	L41 L46 A66 S67 M68 N72 L73 I74	L41-K70 HydrophobicContact CD2-CB 4.49Å; L41-K70 HydrophobicContact CD2-CD 3.97Å; L41-K70 HydrophobicContact CD2-CG 4.33Å; L46-K70 HydrophobicContact CD1-CB 4Å; L46-K70 HydrophobicContact CD2-CB 3.92Å; L46-K70 HydrophobicContact CD2-CD 3.59Å; L46-K70 HydrophobicContact CD2-CG 4.44Å; A66-K70 VanDerWaalsContact O-CG 3.29Å; A66-K70 WeakPolarHBondContact O-CG 3.4Å; A66-K70 PolarHBondContact O-N 3.37Å; S67-K70 PolarHBondContact O-N 3.31Å; M68-K70 VanDerWaalsContact C-N 3.32Å; M68-K70 PolarHBondContact O-N 2.72Å; K70-N72 VanDerWaalsContact C-N 3.31Å; K70-N72 PolarHBondContact O-N 2.88Å; K70-L73 WeakPolarHBondContact O-CB 3.47Å; K70-L73 PolarHBondContact O-N 3.29Å; K70-I74 WeakPolarHBondContact O-CG1 3.47Å; K70-I74 PolarHBondContact O-N 3.46Å
71	L	88.4	Confident	82.1	Confident	4 Å²	4	57.4 Å²	57.4	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-59.3	-43.5	174.1	-73.9	169.1	0	0	0	111	V43 L46 I47 A50 S67 M68 L73 I74 V75 V84	V43-L71 HydrophobicContact CG1-CD2 4.42Å; L46-L71 HydrophobicContact CB-CD1 4.36Å; L46-L71 HydrophobicContact CB-CD2 3.79Å; L46-L71 HydrophobicContact CB-CG 3.9Å; L46-L71 HydrophobicContact CD1-CD2 4.19Å; L46-L71 HydrophobicContact CD1-CG 4.44Å; I47-L71 HydrophobicContact CG1-CD1 4.39Å; I47-L71 HydrophobicContact CG1-CD2 4.33Å; A50-L71 HydrophobicContact CB-CD1 4.4Å; S67-L71 WeakPolarHBondContact O-CG 3.36Å; S67-L71 PolarHBondContact O-N 2.9Å; M68-L71 PolarHBondContact O-N 2.72Å; M68-L71 HydrophobicContact SD-CD1 4.21Å; L71-L73 VanDerWaalsContact C-N 3.29Å; L71-L73 PolarHBondContact O-N 3.4Å; L71-I74 WeakPolarHBondContact O-CA 3.35Å; L71-I74 WeakPolarHBondContact O-CB 3.03Å; L71-I74 PolarHBondContact O-N 2.82Å; L71-V75 WeakPolarHBondContact O-CG2 3.42Å; L71-V75 PolarHBondContact O-N 2.97Å; L71-V84 HydrophobicContact CD2-CG1 4.21Å; L71-V84 HydrophobicContact CD2-CG2 4.12Å
72	N	84.4	Confident	83.6	Confident	34 Å²	34	52.8 Å²	52.8	18%	0.182	28%	0.276	C	S	.	.	H	α-helix	trans	-59.4	-37.8	177	-76.2	-3.2	0	0	0	112.6	M68 V69 K70 I74 V75 D76	M68-N72 WeakPolarHBondContact O-CB 3.44Å; M68-N72 PolarHBondContact O-N 3.38Å; V69-N72 PolarHBondContact O-N 3.32Å; K70-N72 VanDerWaalsContact C-N 3.31Å; K70-N72 PolarHBondContact O-N 2.88Å; N72-I74 VanDerWaalsContact C-N 3.32Å; N72-I74 PolarHBondContact O-N 3.5Å; N72-V75 WeakPolarHBondContact O-CG2 3.41Å; N72-V75 PolarHBondContact O-N 2.79Å; N72-D76 PolarHBondContact O-N 2.95Å
73	L	86	Confident	85	Confident	128 Å²	128	49.6 Å²	49.6	67%	0.67	26%	0.262	S	S	*	.	H	α-helix	trans	-65.9	-33.5	173.3	-66.2	173.2	0	0	0	112.9	V69 K70 L71	V69-L73 WeakPolarHBondContact O-CG 3.4Å; V69-L73 PolarHBondContact O-N 3.18Å; V69-L73 VanDerWaalsContact O-N 3.13Å; K70-L73 WeakPolarHBondContact O-CB 3.47Å; K70-L73 PolarHBondContact O-N 3.29Å; L71-L73 VanDerWaalsContact C-N 3.29Å; L71-L73 PolarHBondContact O-N 3.4Å
74	I	88	Confident	86.2	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.015	22%	0.223	C	C	.	.	H	α-helix	trans	-70.8	-39.7	178.8	-63.8	173.6	0	0	0	110.2	L36 L41 V43 L46 K70 L71 N72 D76 G80 V84	L36-I74 HydrophobicContact CD1-CD1 4.48Å; L36-I74 HydrophobicContact CD1-CG2 4.16Å; L36-I74 HydrophobicContact CD2-CD1 3.9Å; L36-I74 HydrophobicContact CD2-CG1 3.69Å; L36-I74 HydrophobicContact CD2-CG2 4.22Å; L41-I74 HydrophobicContact CB-CD1 4.36Å; L41-I74 HydrophobicContact CD1-CD1 4.3Å; L41-I74 HydrophobicContact CD1-CG1 4.28Å; V43-I74 HydrophobicContact CG2-CD1 4.05Å; V43-I74 HydrophobicContact CG2-CG2 4.46Å; L46-I74 HydrophobicContact CD1-CD1 3.62Å; K70-I74 WeakPolarHBondContact O-CG1 3.47Å; K70-I74 PolarHBondContact O-N 3.46Å; L71-I74 WeakPolarHBondContact O-CA 3.35Å; L71-I74 WeakPolarHBondContact O-CB 3.03Å; L71-I74 PolarHBondContact O-N 2.82Å; N72-I74 VanDerWaalsContact C-N 3.32Å; N72-I74 PolarHBondContact O-N 3.5Å; I74-D76 VanDerWaalsContact C-N 3.29Å; I74-D76 PolarHBondContact O-N 3.02Å; I74-G80 WeakPolarHBondContact O-CA 3.24Å; I74-V84 HydrophobicContact CG2-CG2 3.94Å
75	V	87.6	Confident	87.2	Confident	5 Å²	5	38.3 Å²	38.3	3%	0.03	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	7.7	-173.9	-55.6	0	0	0	0	114.8	L71 N72 N77 W81 V84 F106	L71-V75 WeakPolarHBondContact O-CG2 3.42Å; L71-V75 PolarHBondContact O-N 2.97Å; N72-V75 WeakPolarHBondContact O-CG2 3.41Å; N72-V75 PolarHBondContact O-N 2.79Å; V75-N77 PolarHBondContact O-N 3.18Å; V75-N77 VanDerWaalsContact O-N 3.16Å; V75-W81 HydrophobicContact CB-CB 4.14Å; V75-W81 HydrophobicContact CG1-CB 4.4Å; V75-V84 HydrophobicContact CG1-CB 3.92Å; V75-V84 HydrophobicContact CG1-CG1 4.49Å; V75-V84 HydrophobicContact CG1-CG2 3.54Å; V75-F106 HydrophobicContact CG1-CE2 3.66Å; V75-F106 HydrophobicContact CG1-CZ 3.77Å; V75-F106 HydrophobicContact CG2-CE2 4.45Å
76	D	83.7	Confident	88	Confident	131 Å²	131	40.4 Å²	40.4	70%	0.701	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-9.9	173.3	-162.6	43.6	0	0	0	112.6	N72 I74	N72-D76 PolarHBondContact O-N 2.95Å; I74-D76 VanDerWaalsContact C-N 3.29Å; I74-D76 PolarHBondContact O-N 3.02Å
77	N	83.8	Confident	88.5	Confident	61 Å²	61	39.3 Å²	39.3	33%	0.326	20%	0.198	S	C	.	.	S	Bend	trans	-129.8	163.4	170.8	70.2	52.9	0	0	0	112.8	Q32 V75 E79 G80 W81	Q32-N77 PolarHBondContact OE1-ND2 3.15Å; Q32-N77 VanDerWaalsContact OE1-ND2 3.08Å; V75-N77 PolarHBondContact O-N 3.18Å; V75-N77 VanDerWaalsContact O-N 3.16Å; N77-E79 PolarHBondContact O-N 2.84Å; N77-E79 PolarHBondContact OD1-N 2.84Å; N77-G80 PolarHBondContact O-N 3.08Å; N77-G80 PolarHBondContact OD1-N 3.09Å; N77-W81 WeakPolarHBondContact O-CB 3.3Å; N77-W81 PolarHBondContact O-N 2.91Å
78	E	86.8	Confident	88.9	Confident	83 Å²	83	39.4 Å²	39.4	39%	0.388	20%	0.198	S	C	.	.	H	α-helix	trans	-65.8	-38.9	-173.9	-64.4	-174.6	-178	0	0	112.8	W81 N82 C114 A117	E78-W81 PolarHBondContact O-N 2.98Å; E78-N82 WeakPolarHBondContact O-CB 3.31Å; E78-N82 PolarHBondContact O-N 2.98Å; E78-N82 PolarHBondContact O-ND2 2.83Å; E78-C114 PolarHBondContact OE1-SG 3.15Å; E78-A117 HydrophobicContact CB-CB 4.09Å; E78-A117 HydrophobicContact CG-CB 3.94Å
79	E	88.4	Confident	89.5	Confident	51 Å²	51	39.3 Å²	39.3	24%	0.238	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-49.1	177.9	-74.2	68.4	-157.3	0	0	111.6	A28 Q32 N77 N82 M83	A28-E79 HydrophobicContact CB-CG 3.91Å; Q32-E79 HydrophobicContact CB-CB 4.08Å; Q32-E79 HydrophobicContact CG-CB 4.11Å; N77-E79 PolarHBondContact O-N 2.84Å; N77-E79 PolarHBondContact OD1-N 2.84Å; E79-N82 PolarHBondContact O-N 2.91Å; E79-M83 VanDerWaalsContact O-CG 3.28Å; E79-M83 WeakPolarHBondContact O-CG 3.19Å; E79-M83 PolarHBondContact O-N 2.98Å
80	G	89.6	Confident	89.9	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.2	-40.6	177.8	0	0	0	0	0	112	I74 N77 N82 M83 V84	I74-G80 WeakPolarHBondContact O-CA 3.24Å; N77-G80 PolarHBondContact O-N 3.08Å; N77-G80 PolarHBondContact OD1-N 3.09Å; G80-N82 PolarHBondContact O-N 3.09Å; G80-M83 WeakPolarHBondContact O-CB 3.35Å; G80-M83 PolarHBondContact O-N 3.43Å; G80-V84 WeakPolarHBondContact O-CG2 3.43Å; G80-V84 PolarHBondContact O-N 3.41Å
81	W	89.2	Confident	89.9	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.015	19%	0.192	C	C	.	.	H	α-helix	trans	-58.8	-47.5	172.8	-172.4	93	0	0	0	111.8	V75 N77 E78 M83 V84 V85 F107 P113 V118 V121	V75-W81 HydrophobicContact CB-CB 4.14Å; V75-W81 HydrophobicContact CG1-CB 4.4Å; N77-W81 WeakPolarHBondContact O-CB 3.3Å; N77-W81 PolarHBondContact O-N 2.91Å; E78-W81 PolarHBondContact O-N 2.98Å; W81-M83 VanDerWaalsContact C-N 3.33Å; W81-M83 PolarHBondContact O-N 2.82Å; W81-V84 PolarHBondContact O-N 2.9Å; W81-V85 HydrophobicContact CD2-CG2 3.89Å; W81-V85 HydrophobicContact CE3-CG2 4Å; W81-V85 HydrophobicContact CH2-CG2 3.65Å; W81-V85 HydrophobicContact CZ2-CG2 3.5Å; W81-V85 VanDerWaalsContact CZ2-CG2 3.5Å; W81-V85 HydrophobicContact CZ3-CG2 3.91Å; W81-V85 WeakPolarHBondContact O-CG2 3.47Å; W81-V85 PolarHBondContact O-N 3.32Å; W81-F107 HydrophobicContact CH2-CE1 4.45Å; W81-F107 HydrophobicContact CH2-CZ 4.42Å; W81-F107 AromaticContact CZ2-CE1 3.65Å; W81-F107 HydrophobicContact CZ2-CE1 3.65Å; W81-F107 AromaticContact CZ2-CZ 3.78Å; W81-F107 HydrophobicContact CZ2-CZ 3.78Å; W81-P113 HydrophobicContact CD2-CB 3.82Å; W81-P113 HydrophobicContact CD2-CG 3.81Å; W81-P113 VanDerWaalsContact CE2-CG 3.49Å; W81-P113 HydrophobicContact CE3-CB 3.98Å; W81-P113 HydrophobicContact CE3-CG 4.03Å; W81-P113 HydrophobicContact CG-CB 4.2Å; W81-P113 HydrophobicContact CG-CG 4.5Å; W81-P113 HydrophobicContact CH2-CG 3.74Å; W81-P113 HydrophobicContact CZ2-CB 4.41Å; W81-P113 HydrophobicContact CZ2-CG 3.49Å; W81-P113 VanDerWaalsContact CZ2-CG 3.49Å; W81-P113 HydrophobicContact CZ3-CB 4.32Å; W81-P113 HydrophobicContact CZ3-CG 3.98Å; W81-V118 HydrophobicContact CH2-CG2 4.05Å; W81-V118 HydrophobicContact CZ3-CG2 4.42Å; W81-V121 HydrophobicContact CH2-CG1 3.93Å; W81-V121 HydrophobicContact CZ3-CB 4.09Å; W81-V121 HydrophobicContact CZ3-CG1 3.54Å
82	N	90.8	Very high	90.1	Very high	9 Å²	9	38.6 Å²	38.6	5%	0.048	19%	0.191	C	C	.	.	H	α-helix	trans	-60.7	-40.9	176.5	-69.1	-31.6	0	0	0	112	E78 E79 G80 K86 A117 V121	E78-N82 WeakPolarHBondContact O-CB 3.31Å; E78-N82 PolarHBondContact O-N 2.98Å; E78-N82 PolarHBondContact O-ND2 2.83Å; E79-N82 PolarHBondContact O-N 2.91Å; G80-N82 PolarHBondContact O-N 3.09Å; N82-K86 WeakPolarHBondContact O-CG 3.33Å; N82-K86 PolarHBondContact O-N 3.39Å; N82-K86 VanDerWaalsContact O-N 3.09Å; N82-A117 PolarHBondContact OD1-O 3.33Å; N82-V121 HydrophobicContact CB-CG2 4.4Å; N82-V121 WeakPolarHBondContact OD1-CB 3.37Å
83	M	92.2	Very high	90.4	Very high	47 Å²	47	39.2 Å²	39.2	23%	0.232	20%	0.196	C	C	.	.	H	α-helix	trans	-60.9	-47.7	175.8	-72.4	176.9	71.5	0	0	111.2	Q32 L36 E79 G80 W81 K86 Q87	Q32-M83 HydrophobicContact CB-SD 4.22Å; Q32-M83 HydrophobicContact CG-SD 3.73Å; L36-M83 HydrophobicContact CD1-CE 3.62Å; L36-M83 HydrophobicContact CD1-SD 4.14Å; E79-M83 VanDerWaalsContact O-CG 3.28Å; E79-M83 WeakPolarHBondContact O-CG 3.19Å; E79-M83 PolarHBondContact O-N 2.98Å; G80-M83 WeakPolarHBondContact O-CB 3.35Å; G80-M83 PolarHBondContact O-N 3.43Å; W81-M83 VanDerWaalsContact C-N 3.33Å; W81-M83 PolarHBondContact O-N 2.82Å; M83-K86 PolarHBondContact O-N 3.06Å; M83-Q87 VanDerWaalsContact O-CG 3.25Å; M83-Q87 WeakPolarHBondContact O-CG 3.13Å; M83-Q87 PolarHBondContact O-N 3.32Å; M83-Q87 VanDerWaalsContact O-N 3.1Å
84	V	92.9	Very high	90.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.6	-45.4	179.9	-179.6	0	0	0	0	111.5	V43 I47 L71 I74 V75 G80 W81 K86 Q87 L88 F106	V43-V84 HydrophobicContact CG1-CB 4.23Å; V43-V84 HydrophobicContact CG1-CG1 4.39Å; V43-V84 HydrophobicContact CG1-CG2 3.78Å; V43-V84 HydrophobicContact CG2-CG2 4.39Å; I47-V84 HydrophobicContact CD1-CG1 4.41Å; L71-V84 HydrophobicContact CD2-CG1 4.21Å; L71-V84 HydrophobicContact CD2-CG2 4.12Å; I74-V84 HydrophobicContact CG2-CG2 3.94Å; V75-V84 HydrophobicContact CG1-CB 3.92Å; V75-V84 HydrophobicContact CG1-CG1 4.49Å; V75-V84 HydrophobicContact CG1-CG2 3.54Å; G80-V84 WeakPolarHBondContact O-CG2 3.43Å; G80-V84 PolarHBondContact O-N 3.41Å; W81-V84 PolarHBondContact O-N 2.9Å; V84-K86 PolarHBondContact O-N 3.02Å; V84-Q87 PolarHBondContact O-N 2.79Å; V84-Q87 VanDerWaalsContact O-N 3.13Å; V84-L88 HydrophobicContact CG1-CD1 4.08Å; V84-L88 HydrophobicContact CG1-CG 4.2Å; V84-L88 WeakPolarHBondContact O-CG 3.45Å; V84-L88 PolarHBondContact O-N 2.8Å; V84-F106 HydrophobicContact CB-CE2 4.01Å; V84-F106 HydrophobicContact CB-CZ 3.91Å; V84-F106 HydrophobicContact CG1-CD2 3.87Å; V84-F106 HydrophobicContact CG1-CE1 4.26Å; V84-F106 HydrophobicContact CG1-CE2 3.28Å; V84-F106 HydrophobicContact CG1-CZ 3.5Å
85	V	93.6	Very high	90.3	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-45	179	171.9	0	0	0	0	112.1	W81 Q87 L88 V89 F106 F107 V121 L125 V145	W81-V85 HydrophobicContact CD2-CG2 3.89Å; W81-V85 HydrophobicContact CE3-CG2 4Å; W81-V85 HydrophobicContact CH2-CG2 3.65Å; W81-V85 HydrophobicContact CZ2-CG2 3.5Å; W81-V85 VanDerWaalsContact CZ2-CG2 3.5Å; W81-V85 HydrophobicContact CZ3-CG2 3.91Å; W81-V85 WeakPolarHBondContact O-CG2 3.47Å; W81-V85 PolarHBondContact O-N 3.32Å; V85-Q87 VanDerWaalsContact C-N 3.3Å; V85-Q87 PolarHBondContact O-N 3.2Å; V85-L88 WeakPolarHBondContact O-CB 3.32Å; V85-L88 PolarHBondContact O-N 3.3Å; V85-V89 WeakPolarHBondContact O-CG2 3.38Å; V85-V89 PolarHBondContact O-N 2.86Å; V85-F106 HydrophobicContact CG2-CE1 4.06Å; V85-F107 HydrophobicContact CG2-CZ 4.15Å; V85-V121 HydrophobicContact CB-CG2 4.18Å; V85-V121 HydrophobicContact CG1-CG1 4.31Å; V85-V121 HydrophobicContact CG1-CG2 3.9Å; V85-L125 HydrophobicContact CG1-CD1 4.26Å; V85-V145 HydrophobicContact CG1-CG1 3.79Å; V85-V145 HydrophobicContact CG1-CG2 4.42Å
86	K	94.6	Very high	90.2	Very high	63 Å²	63	44.3 Å²	44.3	27%	0.274	23%	0.227	S	C	.	.	H	α-helix	trans	-60.2	-41.2	175.6	-72.9	-177.4	176.7	-171.8	0	112.2	N82 M83 V84 V89 Q90 V121 E124 L125	N82-K86 WeakPolarHBondContact O-CG 3.33Å; N82-K86 PolarHBondContact O-N 3.39Å; N82-K86 VanDerWaalsContact O-N 3.09Å; M83-K86 PolarHBondContact O-N 3.06Å; V84-K86 PolarHBondContact O-N 3.02Å; K86-V89 PolarHBondContact O-N 2.9Å; K86-Q90 WeakPolarHBondContact O-CB 3.49Å; K86-Q90 PolarHBondContact O-N 2.94Å; K86-V121 HydrophobicContact CG-CG2 4.21Å; K86-E124 WeakPolarHBondContact CE-OE2 3.4Å; K86-E124 IonicContact NZ-OE2 2.61Å; K86-E124 PolarHBondContact NZ-OE2 2.76Å; K86-L125 HydrophobicContact CG-CD2 4.09Å; K86-L125 HydrophobicContact CG-CG 4.5Å
87	Q	94.6	Very high	90.2	Very high	46 Å²	46	39.8 Å²	39.8	22%	0.215	20%	0.204	C	C	.	.	H	α-helix	trans	-69.2	-34.6	177.6	-65.2	-61.7	-74.3	0	0	112.5	V43 I47 M83 V84 V85 Q90 F91	V43-Q87 HydrophobicContact CB-CG 4.13Å; V43-Q87 HydrophobicContact CG1-CB 3.74Å; V43-Q87 HydrophobicContact CG1-CG 3.69Å; I47-Q87 HydrophobicContact CD1-CB 3.66Å; M83-Q87 VanDerWaalsContact O-CG 3.25Å; M83-Q87 WeakPolarHBondContact O-CG 3.13Å; M83-Q87 PolarHBondContact O-N 3.32Å; M83-Q87 VanDerWaalsContact O-N 3.1Å; V84-Q87 PolarHBondContact O-N 2.79Å; V84-Q87 VanDerWaalsContact O-N 3.13Å; V85-Q87 VanDerWaalsContact C-N 3.3Å; V85-Q87 PolarHBondContact O-N 3.2Å; Q87-Q90 PolarHBondContact O-N 2.59Å; Q87-F91 HydrophobicContact CB-CD2 4.4Å; Q87-F91 WeakPolarHBondContact O-CB 3.32Å; Q87-F91 PolarHBondContact O-N 2.97Å
88	L	95	Very high	90.3	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-61.5	-44.8	172	-71.9	170.6	0	0	0	111	I47 V84 V85 V92 V102 I103 F106 N141	I47-L88 HydrophobicContact CD1-CD2 3.82Å; I47-L88 HydrophobicContact CD1-CG 3.99Å; I47-L88 HydrophobicContact CG1-CD2 3.98Å; I47-L88 HydrophobicContact CG2-CD2 3.99Å; V84-L88 HydrophobicContact CG1-CD1 4.08Å; V84-L88 HydrophobicContact CG1-CG 4.2Å; V84-L88 WeakPolarHBondContact O-CG 3.45Å; V84-L88 PolarHBondContact O-N 2.8Å; V85-L88 WeakPolarHBondContact O-CB 3.32Å; V85-L88 PolarHBondContact O-N 3.3Å; L88-V92 HydrophobicContact CB-CG2 4.39Å; L88-V92 HydrophobicContact CD2-CG2 3.75Å; L88-V92 WeakPolarHBondContact O-CB 3.37Å; L88-V92 WeakPolarHBondContact O-CG2 3.35Å; L88-V92 PolarHBondContact O-N 2.79Å; L88-V102 HydrophobicContact CD2-CG1 4.4Å; L88-I103 HydrophobicContact CB-CG1 4.37Å; L88-I103 HydrophobicContact CD2-CG1 4.2Å; L88-F106 HydrophobicContact CD1-CB 4.16Å; L88-F106 HydrophobicContact CD1-CD1 3.34Å; L88-F106 HydrophobicContact CD1-CD2 4.37Å; L88-F106 HydrophobicContact CD1-CE1 3.76Å; L88-F106 HydrophobicContact CD1-CG 3.68Å; L88-F106 HydrophobicContact CD1-CZ 4.42Å; L88-N141 PolarHBondContact O-ND2 3.2Å
89	V	95.7	Very high	90.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.3	-45.5	176	177.4	0	0	0	0	111.2	V85 K86 L125 W138 N141 M142 V145	V85-V89 WeakPolarHBondContact O-CG2 3.38Å; V85-V89 PolarHBondContact O-N 2.86Å; K86-V89 PolarHBondContact O-N 2.9Å; V89-L125 HydrophobicContact CB-CD2 4.22Å; V89-L125 HydrophobicContact CG1-CD2 4.19Å; V89-L125 HydrophobicContact CG2-CD1 4.03Å; V89-L125 HydrophobicContact CG2-CD2 4.24Å; V89-W138 HydrophobicContact CG1-CD2 3.7Å; V89-W138 VanDerWaalsContact CG1-CE2 3.47Å; V89-W138 HydrophobicContact CG1-CE3 4.4Å; V89-W138 HydrophobicContact CG1-CG 3.87Å; V89-W138 HydrophobicContact CG1-CZ2 3.93Å; V89-N141 HydrophobicContact CB-CB 4.49Å; V89-N141 WeakPolarHBondContact O-CB 3.47Å; V89-N141 PolarHBondContact O-ND2 3.49Å; V89-M142 HydrophobicContact CG1-CB 4.19Å; V89-M142 HydrophobicContact CG2-SD 4.37Å; V89-V145 HydrophobicContact CG2-CB 4.41Å; V89-V145 HydrophobicContact CG2-CG2 3.83Å
90	Q	93	Very high	90.4	Very high	90 Å²	90	31.5 Å²	31.5	42%	0.421	17%	0.165	S	C	.	.	H	α-helix	trans	-77.9	-36.5	-171.9	-167.7	172.7	22.8	0	0	114.2	K86 Q87	K86-Q90 WeakPolarHBondContact O-CB 3.49Å; K86-Q90 PolarHBondContact O-N 2.94Å; Q87-Q90 PolarHBondContact O-N 2.59Å
91	F	89.6	Confident	90.3	Very high	54 Å²	54	31.8 Å²	31.8	24%	0.237	17%	0.168	C	C	.	.	H	α-helix	trans	-122	-10.6	-162.6	-65.9	-64.9	0	0	0	116.5	R44 Q87 P93	R44-F91 HydrophobicContact CB-CD2 4.31Å; R44-F91 HydrophobicContact CG-CB 4.17Å; R44-F91 HydrophobicContact CG-CD1 4.45Å; R44-F91 HydrophobicContact CG-CD2 4.02Å; R44-F91 HydrophobicContact CG-CG 3.95Å; Q87-F91 HydrophobicContact CB-CD2 4.4Å; Q87-F91 WeakPolarHBondContact O-CB 3.32Å; Q87-F91 PolarHBondContact O-N 2.97Å; F91-P93 WeakPolarHBondContact O-CD 3.3Å
92	V	92.3	Very high	90.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-66.3	118.8	176	169.6	0	0	0	0	109.1	I47 L88 A99 I103 T137 R140 N141	I47-V92 HydrophobicContact CG2-CG2 3.85Å; L88-V92 HydrophobicContact CB-CG2 4.39Å; L88-V92 HydrophobicContact CD2-CG2 3.75Å; L88-V92 WeakPolarHBondContact O-CB 3.37Å; L88-V92 WeakPolarHBondContact O-CG2 3.35Å; L88-V92 PolarHBondContact O-N 2.79Å; V92-A99 HydrophobicContact CG1-CB 3.51Å; V92-A99 WeakPolarHBondContact CG1-O 3.29Å; V92-I103 HydrophobicContact CB-CD1 4.17Å; V92-I103 HydrophobicContact CB-CG1 4.39Å; V92-I103 HydrophobicContact CG1-CD1 4.02Å; V92-I103 HydrophobicContact CG1-CG1 4.19Å; V92-I103 HydrophobicContact CG2-CD1 4.27Å; V92-I103 HydrophobicContact CG2-CG1 3.99Å; V92-T137 WeakPolarHBondContact O-CG2 3.4Å; V92-R140 PolarHBondContact O-NH2 3.5Å; V92-N141 PolarHBondContact O-ND2 2.79Å
93	P	91.1	Very high	90.3	Very high	47 Å²	47	31.4 Å²	31.4	31%	0.305	17%	0.166	S	C	.	.			trans	-74.3	147.9	-168	28.5	-34.8	0	0	0	112.5	L51 F91 A99 R140	L51-P93 HydrophobicContact CD1-CG 4.21Å; F91-P93 WeakPolarHBondContact O-CD 3.3Å; P93-A99 HydrophobicContact CG-CB 4.31Å; P93-A99 WeakPolarHBondContact O-CB 3.31Å; P93-R140 PolarHBondContact O-NH2 3.4Å
94	L	87.8	Confident	90.1	Very high	54 Å²	54	29.3 Å²	29.3	28%	0.283	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-36.5	179.4	-167.7	69	0	0	0	112.5	S96 R140 T180	L94-S96 VanDerWaalsContact C-N 3.33Å; L94-S96 PolarHBondContact O-N 3.45Å; L94-R140 HydrophobicContact CD1-CB 4.29Å; L94-R140 HydrophobicContact CD1-CG 4.04Å; L94-T180 HydrophobicContact CD1-CG2 3.97Å
95	N	83.9	Confident	89.6	Confident	155 Å²	155	31.6 Å²	31.6	83%	0.829	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	3.6	-169.2	-57.9	-13.9	0	0	0	114.2
96	S	85.9	Confident	89.2	Confident	34 Å²	34	31.7 Å²	31.7	24%	0.238	17%	0.168	C	C	.	.			trans	-93.1	126.6	179.8	174.4	0	0	0	0	110.4	L94 I98 A99	L94-S96 VanDerWaalsContact C-N 3.33Å; L94-S96 PolarHBondContact O-N 3.45Å; S96-I98 PolarHBondContact O-N 3.37Å; S96-I98 VanDerWaalsContact O-N 3.08Å; S96-A99 WeakPolarHBondContact O-CB 3.43Å; S96-A99 PolarHBondContact O-N 2.8Å; S96-A99 VanDerWaalsContact O-N 3.11Å
97	P	83.1	Confident	88.7	Confident	36 Å²	36	29 Å²	29	23%	0.234	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-27.4	179.9	-24.9	32.5	0	0	0	114.8	P329	P97-P329 HydrophobicContact CB-CB 4.25Å; P97-P329 HydrophobicContact CB-CG 3.87Å; P97-P329 WeakPolarHBondContact CB-O 3.45Å; P97-P329 HydrophobicContact CG-CB 4.19Å; P97-P329 HydrophobicContact CG-CG 3.81Å
98	I	86.4	Confident	88	Confident	4 Å²	4	29 Å²	29	2%	0.021	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-7.9	-174.5	-59	163.2	0	0	0	111.1	I54 R55 S96 A101 V102 I331	I54-I98 HydrophobicContact CB-CG2 4.32Å; I54-I98 HydrophobicContact CG2-CG2 3.69Å; R55-I98 HydrophobicContact CB-CD1 3.56Å; R55-I98 HydrophobicContact CG-CD1 3.7Å; S96-I98 PolarHBondContact O-N 3.37Å; S96-I98 VanDerWaalsContact O-N 3.08Å; I98-A101 HydrophobicContact CG2-CB 4.29Å; I98-A101 WeakPolarHBondContact O-CA 3.26Å; I98-A101 WeakPolarHBondContact O-CB 3.27Å; I98-A101 PolarHBondContact O-N 3.49Å; I98-V102 HydrophobicContact CG2-CG2 4.37Å; I98-V102 PolarHBondContact O-N 3.48Å; I98-I331 HydrophobicContact CD1-CD1 4.22Å; I98-I331 HydrophobicContact CD1-CG1 4.42Å; I98-I331 HydrophobicContact CG1-CD1 4.32Å; I98-I331 HydrophobicContact CG1-CG1 4.37Å
99	A	87.9	Confident	87.2	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-55.6	-47.5	-174.2	0	0	0	0	0	114.6	L51 V92 P93 S96 A101 V102	L51-A99 HydrophobicContact CD2-CB 4.14Å; V92-A99 HydrophobicContact CG1-CB 3.51Å; V92-A99 WeakPolarHBondContact CG1-O 3.29Å; P93-A99 HydrophobicContact CG-CB 4.31Å; P93-A99 WeakPolarHBondContact O-CB 3.31Å; S96-A99 WeakPolarHBondContact O-CB 3.43Å; S96-A99 PolarHBondContact O-N 2.8Å; S96-A99 VanDerWaalsContact O-N 3.11Å; A99-A101 VanDerWaalsContact C-N 3.27Å; A99-A101 PolarHBondContact O-N 3.48Å; A99-V102 PolarHBondContact O-N 2.79Å
100	P	90.1	Very high	86.4	Confident	17 Å²	17	33.2 Å²	33.2	11%	0.11	18%	0.179	C	C	.	.	H	α-helix	trans	-58.7	-38.1	173.7	-26.2	35.8	0	0	0	113.7	V102 I103 T104 I144 F184 F431	P100-V102 VanDerWaalsContact C-N 3.34Å; P100-V102 PolarHBondContact O-N 3.49Å; P100-I103 PolarHBondContact O-N 3.26Å; P100-T104 PolarHBondContact O-N 3.25Å; P100-T104 PolarHBondContact O-OG1 3.39Å; P100-I144 HydrophobicContact CB-CD1 3.74Å; P100-I144 HydrophobicContact CG-CD1 4.3Å; P100-F184 HydrophobicContact CB-CE1 4.02Å; P100-F184 HydrophobicContact CB-CZ 3.77Å; P100-F184 HydrophobicContact CG-CE1 4.46Å; P100-F184 HydrophobicContact CG-CE2 4.41Å; P100-F184 HydrophobicContact CG-CZ 3.72Å; P100-F431 HydrophobicContact CB-CD2 3.38Å; P100-F431 HydrophobicContact CB-CE2 3.77Å; P100-F431 HydrophobicContact CB-CG 4.18Å
101	A	86.8	Confident	85.6	Confident	6 Å²	6	32 Å²	32	5%	0.05	18%	0.179	C	C	.	.	H	α-helix	trans	-67.9	-31.7	-179.7	0	0	0	0	0	112.5	I98 A99 I103 T104 L105 M429 T430	I98-A101 HydrophobicContact CG2-CB 4.29Å; I98-A101 WeakPolarHBondContact O-CA 3.26Å; I98-A101 WeakPolarHBondContact O-CB 3.27Å; I98-A101 PolarHBondContact O-N 3.49Å; A99-A101 VanDerWaalsContact C-N 3.27Å; A99-A101 PolarHBondContact O-N 3.48Å; A101-I103 PolarHBondContact O-N 3.2Å; A101-T104 WeakPolarHBondContact O-CB 3.27Å; A101-T104 PolarHBondContact O-N 2.92Å; A101-T104 VanDerWaalsContact O-N 3.15Å; A101-L105 WeakPolarHBondContact O-CB 3.44Å; A101-L105 PolarHBondContact O-N 3.11Å; A101-M429 HydrophobicContact CB-CG 4.45Å; A101-M429 HydrophobicContact CB-SD 3.92Å; A101-T430 HydrophobicContact CB-CG2 3.76Å
102	V	87.6	Confident	84.7	Confident	4 Å²	4	32.1 Å²	32.1	2%	0.024	18%	0.182	C	C	.	.	H	α-helix	trans	-61.8	-41.8	175.3	159.9	0	0	0	0	113.1	L51 I54 L88 I98 A99 P100 T104 L105 F106	L51-V102 HydrophobicContact CB-CG2 4.49Å; L51-V102 HydrophobicContact CD2-CB 3.75Å; L51-V102 HydrophobicContact CD2-CG1 4.26Å; L51-V102 HydrophobicContact CD2-CG2 3.3Å; L51-V102 HydrophobicContact CG-CB 4.28Å; L51-V102 HydrophobicContact CG-CG1 4.27Å; L51-V102 HydrophobicContact CG-CG2 3.78Å; I54-V102 HydrophobicContact CD1-CG2 3.38Å; L88-V102 HydrophobicContact CD2-CG1 4.4Å; I98-V102 HydrophobicContact CG2-CG2 4.37Å; I98-V102 PolarHBondContact O-N 3.48Å; A99-V102 PolarHBondContact O-N 2.79Å; P100-V102 VanDerWaalsContact C-N 3.34Å; P100-V102 PolarHBondContact O-N 3.49Å; V102-T104 VanDerWaalsContact C-N 3.26Å; V102-T104 PolarHBondContact O-N 3.42Å; V102-L105 PolarHBondContact O-N 3.08Å; V102-F106 WeakPolarHBondContact O-CB 3.25Å; V102-F106 PolarHBondContact O-N 3.12Å
103	I	91.8	Very high	83.7	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.8	-43.4	175.9	-60	172.5	0	0	0	109	L88 V92 P100 A101 F106 F107 N141 I144 V145	L88-I103 HydrophobicContact CB-CG1 4.37Å; L88-I103 HydrophobicContact CD2-CG1 4.2Å; V92-I103 HydrophobicContact CB-CD1 4.17Å; V92-I103 HydrophobicContact CB-CG1 4.39Å; V92-I103 HydrophobicContact CG1-CD1 4.02Å; V92-I103 HydrophobicContact CG1-CG1 4.19Å; V92-I103 HydrophobicContact CG2-CD1 4.27Å; V92-I103 HydrophobicContact CG2-CG1 3.99Å; P100-I103 PolarHBondContact O-N 3.26Å; A101-I103 PolarHBondContact O-N 3.2Å; I103-F106 PolarHBondContact O-N 3.16Å; I103-F107 HydrophobicContact CG2-CD2 4.21Å; I103-F107 HydrophobicContact CG2-CE2 4.26Å; I103-F107 WeakPolarHBondContact O-CD2 3.43Å; I103-F107 PolarHBondContact O-N 2.89Å; I103-N141 HydrophobicContact CD1-CB 3.98Å; I103-I144 HydrophobicContact CB-CG2 3.75Å; I103-I144 HydrophobicContact CD1-CB 4.14Å; I103-I144 HydrophobicContact CD1-CD1 4.09Å; I103-I144 HydrophobicContact CD1-CG2 4.15Å; I103-I144 HydrophobicContact CG2-CB 4.32Å; I103-I144 HydrophobicContact CG2-CG2 3.61Å; I103-V145 HydrophobicContact CG2-CG2 3.85Å
104	T	88.3	Confident	83	Confident	3 Å²	3	33.2 Å²	33.2	2%	0.018	19%	0.189	C	C	.	.	H	α-helix	trans	-62.9	-49.5	179.7	-52.2	0	0	0	0	111.3	P100 A101 V102 F106 F107 D108 T430 F431	P100-T104 PolarHBondContact O-N 3.25Å; P100-T104 PolarHBondContact O-OG1 3.39Å; A101-T104 WeakPolarHBondContact O-CB 3.27Å; A101-T104 PolarHBondContact O-N 2.92Å; A101-T104 VanDerWaalsContact O-N 3.15Å; V102-T104 VanDerWaalsContact C-N 3.26Å; V102-T104 PolarHBondContact O-N 3.42Å; T104-F106 VanDerWaalsContact C-N 3.31Å; T104-F106 PolarHBondContact O-N 3.32Å; T104-F107 CarbonylContact O-C 3.52Å; T104-F107 WeakPolarHBondContact O-CA 3.33Å; T104-F107 WeakPolarHBondContact O-CB 3.44Å; T104-F107 PolarHBondContact O-N 2.98Å; T104-D108 PolarHBondContact O-N 3.32Å; T104-T430 HydrophobicContact CG2-CG2 4.1Å; T104-F431 VanDerWaalsContact OG1-CE2 3.3Å; T104-F431 WeakPolarHBondContact OG1-CE2 3.21Å
105	L	82.7	Confident	82.5	Confident	48 Å²	48	35.3 Å²	35.3	25%	0.251	20%	0.196	S	C	.	.	H	α-helix	trans	-60.1	-40.4	178.6	-176.3	68.1	0	0	0	112.1	I54 M68 A101 V102 F107 D108 E109	I54-L105 HydrophobicContact CD1-CD2 3.45Å; I54-L105 VanDerWaalsContact CD1-CD2 3.45Å; I54-L105 HydrophobicContact CG1-CD2 3.9Å; M68-L105 HydrophobicContact CE-CD2 4.04Å; M68-L105 HydrophobicContact CE-CG 3.96Å; A101-L105 WeakPolarHBondContact O-CB 3.44Å; A101-L105 PolarHBondContact O-N 3.11Å; V102-L105 PolarHBondContact O-N 3.08Å; L105-F107 VanDerWaalsContact C-N 3.29Å; L105-F107 PolarHBondContact O-N 3.13Å; L105-D108 PolarHBondContact O-N 3.23Å; L105-D108 VanDerWaalsContact O-N 3.09Å; L105-E109 HydrophobicContact CD1-CG 3.9Å; L105-E109 HydrophobicContact CG-CG 4.21Å; L105-E109 WeakPolarHBondContact O-CG 3.5Å; L105-E109 PolarHBondContact O-N 3.25Å
106	F	84.8	Confident	82.4	Confident	2 Å²	2	31 Å²	31	1%	0.009	18%	0.181	C	C	.	.	H	α-helix	trans	-56	-46.4	173.4	166.9	-95.3	0	0	0	111.2	V75 V84 V85 L88 V102 I103 T104 D108 E109 S110	V75-F106 HydrophobicContact CG1-CE2 3.66Å; V75-F106 HydrophobicContact CG1-CZ 3.77Å; V75-F106 HydrophobicContact CG2-CE2 4.45Å; V84-F106 HydrophobicContact CB-CE2 4.01Å; V84-F106 HydrophobicContact CB-CZ 3.91Å; V84-F106 HydrophobicContact CG1-CD2 3.87Å; V84-F106 HydrophobicContact CG1-CE1 4.26Å; V84-F106 HydrophobicContact CG1-CE2 3.28Å; V84-F106 HydrophobicContact CG1-CZ 3.5Å; V85-F106 HydrophobicContact CG2-CE1 4.06Å; L88-F106 HydrophobicContact CD1-CB 4.16Å; L88-F106 HydrophobicContact CD1-CD1 3.34Å; L88-F106 HydrophobicContact CD1-CD2 4.37Å; L88-F106 HydrophobicContact CD1-CE1 3.76Å; L88-F106 HydrophobicContact CD1-CG 3.68Å; L88-F106 HydrophobicContact CD1-CZ 4.42Å; V102-F106 WeakPolarHBondContact O-CB 3.25Å; V102-F106 PolarHBondContact O-N 3.12Å; I103-F106 PolarHBondContact O-N 3.16Å; T104-F106 VanDerWaalsContact C-N 3.31Å; T104-F106 PolarHBondContact O-N 3.32Å; F106-D108 VanDerWaalsContact C-N 3.29Å; F106-D108 PolarHBondContact O-N 3.47Å; F106-E109 PolarHBondContact O-N 3Å; F106-S110 VanDerWaalsContact CD2-OG 3.29Å; F106-S110 WeakPolarHBondContact CD2-OG 3.37Å; F106-S110 WeakPolarHBondContact CE2-OG 3.34Å; F106-S110 WeakPolarHBondContact CZ-OG 3.12Å; F106-S110 WeakPolarHBondContact O-CB 3.3Å; F106-S110 PolarHBondContact O-N 2.8Å; F106-S110 PolarHBondContact O-OG 3.12Å
107	F	85.2	Confident	82.3	Confident	6 Å²	6	29.4 Å²	29.4	3%	0.026	17%	0.17	C	C	.	.	H	α-helix	trans	-69.7	-24.1	177	-87.2	-92.5	0	0	0	113.6	W81 V85 I103 T104 L105 V145 C148 I149 K152	W81-F107 HydrophobicContact CH2-CE1 4.45Å; W81-F107 HydrophobicContact CH2-CZ 4.42Å; W81-F107 AromaticContact CZ2-CE1 3.65Å; W81-F107 HydrophobicContact CZ2-CE1 3.65Å; W81-F107 AromaticContact CZ2-CZ 3.78Å; W81-F107 HydrophobicContact CZ2-CZ 3.78Å; V85-F107 HydrophobicContact CG2-CZ 4.15Å; I103-F107 HydrophobicContact CG2-CD2 4.21Å; I103-F107 HydrophobicContact CG2-CE2 4.26Å; I103-F107 WeakPolarHBondContact O-CD2 3.43Å; I103-F107 PolarHBondContact O-N 2.89Å; T104-F107 CarbonylContact O-C 3.52Å; T104-F107 WeakPolarHBondContact O-CA 3.33Å; T104-F107 WeakPolarHBondContact O-CB 3.44Å; T104-F107 PolarHBondContact O-N 2.98Å; L105-F107 VanDerWaalsContact C-N 3.29Å; L105-F107 PolarHBondContact O-N 3.13Å; F107-V145 HydrophobicContact CE2-CG1 4.35Å; F107-V145 HydrophobicContact CE2-CG2 4.24Å; F107-V145 HydrophobicContact CZ-CG1 4.05Å; F107-C148 HydrophobicContact CB-CB 3.78Å; F107-C148 HydrophobicContact CD1-CB 3.84Å; F107-C148 HydrophobicContact CD2-CB 3.6Å; F107-C148 HydrophobicContact CE1-CB 4.31Å; F107-C148 HydrophobicContact CE2-CB 4.14Å; F107-C148 HydrophobicContact CG-CB 3.46Å; F107-C148 VanDerWaalsContact CG-CB 3.46Å; F107-C148 HydrophobicContact CZ-CB 4.47Å; F107-I149 HydrophobicContact CD1-CG1 4.48Å; F107-I149 HydrophobicContact CE1-CD1 4.42Å; F107-I149 HydrophobicContact CE1-CG1 3.46Å; F107-I149 VanDerWaalsContact CE1-CG1 3.46Å; F107-I149 HydrophobicContact CZ-CD1 4.31Å; F107-I149 HydrophobicContact CZ-CG1 3.77Å; F107-K152 VanDerWaalsContact O-CE 3.27Å; F107-K152 WeakPolarHBondContact O-CE 3.44Å
108	D	79.5	Confident	82.4	Confident	47 Å²	47	27.7 Å²	27.7	25%	0.251	16%	0.159	S	C	.	.	H	α-helix	trans	-73.8	-42.1	174.9	-70.3	-42.3	0	0	0	112.6	T104 L105 F106 K152 S304	T104-D108 PolarHBondContact O-N 3.32Å; L105-D108 PolarHBondContact O-N 3.23Å; L105-D108 VanDerWaalsContact O-N 3.09Å; F106-D108 VanDerWaalsContact C-N 3.29Å; F106-D108 PolarHBondContact O-N 3.47Å; D108-K152 WeakPolarHBondContact OD1-CE 3.36Å; D108-K152 IonicContact OD1-NZ 3.92Å; D108-K152 PolarHBondContact OD1-NZ 3.12Å; D108-S304 PolarHBondContact OD1-OG 3.47Å; D108-S304 WeakPolarHBondContact OD2-CB 3.2Å
109	E	77.8	Confident	82.4	Confident	81 Å²	81	29.6 Å²	29.6	38%	0.379	17%	0.171	S	C	.	.	H	α-helix	trans	-93.1	-17.4	-173.9	-62	-58.1	139.1	0	0	114.1	L64 M68 L105 F106	L64-E109 HydrophobicContact CD2-CB 4.48Å; L64-E109 HydrophobicContact CD2-CG 3.89Å; M68-E109 HydrophobicContact CE-CB 4.12Å; M68-E109 HydrophobicContact CE-CG 4.2Å; L105-E109 HydrophobicContact CD1-CG 3.9Å; L105-E109 HydrophobicContact CG-CG 4.21Å; L105-E109 WeakPolarHBondContact O-CG 3.5Å; L105-E109 PolarHBondContact O-N 3.25Å; F106-E109 PolarHBondContact O-N 3Å
110	S	78.5	Confident	82.4	Confident	10 Å²	10	33.4 Å²	33.4	7%	0.07	19%	0.188	C	C	.	.	S	Bend	trans	-82.4	146.5	-179.4	-62.8	0	0	0	0	112.4	F106 L112	F106-S110 VanDerWaalsContact CD2-OG 3.29Å; F106-S110 WeakPolarHBondContact CD2-OG 3.37Å; F106-S110 WeakPolarHBondContact CE2-OG 3.34Å; F106-S110 WeakPolarHBondContact CZ-OG 3.12Å; F106-S110 WeakPolarHBondContact O-CB 3.3Å; F106-S110 PolarHBondContact O-N 2.8Å; F106-S110 PolarHBondContact O-OG 3.12Å; S110-L112 PolarHBondContact O-N 3.46Å
111	P	76	Confident	82.4	Confident	64 Å²	64	32.6 Å²	32.6	42%	0.416	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-52.8	135.1	162.2	-22.3	33.1	0	0	0	110.8
112	L	71.3	Confident	82.7	Confident	57 Å²	57	32.4 Å²	32.4	30%	0.298	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-73.1	127.5	176.9	-66.7	177.4	0	0	0	110.1	S110 K152 L153	S110-L112 PolarHBondContact O-N 3.46Å; L112-K152 HydrophobicContact CD1-CB 4.08Å; L112-K152 HydrophobicContact CD2-CB 3.44Å; L112-K152 VanDerWaalsContact CD2-CB 3.44Å; L112-K152 HydrophobicContact CD2-CD 4.16Å; L112-K152 HydrophobicContact CD2-CG 3.83Å; L112-K152 HydrophobicContact CG-CB 4.42Å; L112-L153 HydrophobicContact CB-CD2 4.4Å; L112-L153 HydrophobicContact CD1-CD2 4.34Å
113	P	72.2	Confident	82.8	Confident	19 Å²	19	35.7 Å²	35.7	12%	0.123	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-70.2	164.8	179.9	34.5	-42.5	0	0	0	111.2	W81 A117 V118	W81-P113 HydrophobicContact CD2-CB 3.82Å; W81-P113 HydrophobicContact CD2-CG 3.81Å; W81-P113 VanDerWaalsContact CE2-CG 3.49Å; W81-P113 HydrophobicContact CE3-CB 3.98Å; W81-P113 HydrophobicContact CE3-CG 4.03Å; W81-P113 HydrophobicContact CG-CB 4.2Å; W81-P113 HydrophobicContact CG-CG 4.5Å; W81-P113 HydrophobicContact CH2-CG 3.74Å; W81-P113 HydrophobicContact CZ2-CB 4.41Å; W81-P113 HydrophobicContact CZ2-CG 3.49Å; W81-P113 VanDerWaalsContact CZ2-CG 3.49Å; W81-P113 HydrophobicContact CZ3-CB 4.32Å; W81-P113 HydrophobicContact CZ3-CG 3.98Å; P113-A117 HydrophobicContact CB-CB 3.94Å; P113-V118 HydrophobicContact CB-CG2 4.31Å; P113-V118 HydrophobicContact CG-CG2 3.41Å; P113-V118 VanDerWaalsContact CG-CG2 3.41Å
114	C	75.6	Confident	82.9	Confident	50 Å²	50	38.3 Å²	38.3	34%	0.338	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-68.6	162.6	171.9	91.1	0	0	0	0	111.4	E78 A116 A117 V118	E78-C114 PolarHBondContact OE1-SG 3.15Å; C114-A116 PolarHBondContact O-N 3.25Å; C114-A116 PolarHBondContact SG-N 2.67Å; C114-A117 PolarHBondContact O-N 3.36Å; C114-A117 PolarHBondContact SG-N 3.44Å; C114-V118 PolarHBondContact O-N 3.1Å
115	K	77.3	Confident	83.1	Confident	99 Å²	99	38.2 Å²	38.2	43%	0.43	21%	0.21	S	C	.	.	H	α-helix	trans	-54.7	-38.7	175.7	162.3	145.2	-176.5	171.7	0	113.2	T119 N157 I159	K115-T119 WeakPolarHBondContact O-CB 3.34Å; K115-T119 PolarHBondContact O-N 2.98Å; K115-T119 PolarHBondContact O-OG1 3.18Å; K115-N157 HydrophobicContact CD-CB 4.19Å; K115-N157 PolarHBondContact NZ-O 3.47Å; K115-N157 PolarHBondContact NZ-OD1 3.16Å; K115-I159 HydrophobicContact CB-CD1 3.66Å; K115-I159 HydrophobicContact CB-CG1 4.39Å; K115-I159 HydrophobicContact CD-CD1 3.74Å; K115-I159 HydrophobicContact CD-CG1 3.59Å; K115-I159 VanDerWaalsContact CE-CG1 3.5Å; K115-I159 HydrophobicContact CG-CD1 3.39Å; K115-I159 HydrophobicContact CG-CG1 3.57Å; K115-I159 WeakPolarHBondContact O-CD1 3.33Å
116	A	81.6	Confident	83.6	Confident	63 Å²	63	36.8 Å²	36.8	52%	0.521	20%	0.202	S	C	.	.	H	α-helix	trans	-67.7	-41.7	-179.6	0	0	0	0	0	111.9	C114 T119 K120	C114-A116 PolarHBondContact O-N 3.25Å; C114-A116 PolarHBondContact SG-N 2.67Å; A116-T119 PolarHBondContact O-N 3.27Å; A116-K120 WeakPolarHBondContact O-CB 3.31Å; A116-K120 PolarHBondContact O-N 3.15Å
117	A	83.4	Confident	83.9	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-62.5	-44.4	176.7	0	0	0	0	0	112.3	E78 N82 P113 C114 T119 K120 V121	E78-A117 HydrophobicContact CB-CB 4.09Å; E78-A117 HydrophobicContact CG-CB 3.94Å; N82-A117 PolarHBondContact OD1-O 3.33Å; P113-A117 HydrophobicContact CB-CB 3.94Å; C114-A117 PolarHBondContact O-N 3.36Å; C114-A117 PolarHBondContact SG-N 3.44Å; A117-T119 PolarHBondContact O-N 3.31Å; A117-K120 PolarHBondContact O-N 3Å; A117-V121 PolarHBondContact O-N 3.47Å
118	V	86.2	Confident	84.3	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-44.9	173.8	171.5	0	0	0	0	112.2	W81 P113 C114 K120 V121 L122 I149 L153 I159	W81-V118 HydrophobicContact CH2-CG2 4.05Å; W81-V118 HydrophobicContact CZ3-CG2 4.42Å; P113-V118 HydrophobicContact CB-CG2 4.31Å; P113-V118 HydrophobicContact CG-CG2 3.41Å; P113-V118 VanDerWaalsContact CG-CG2 3.41Å; C114-V118 PolarHBondContact O-N 3.1Å; V118-K120 VanDerWaalsContact C-N 3.3Å; V118-K120 PolarHBondContact O-N 3.32Å; V118-V121 WeakPolarHBondContact O-CG1 3.5Å; V118-V121 PolarHBondContact O-N 2.78Å; V118-L122 HydrophobicContact CG1-CD1 3.83Å; V118-L122 HydrophobicContact CG1-CG 4.33Å; V118-L122 WeakPolarHBondContact O-CB 3.33Å; V118-L122 WeakPolarHBondContact O-CG 3.19Å; V118-L122 PolarHBondContact O-N 2.84Å; V118-I149 HydrophobicContact CG1-CD1 4.27Å; V118-I149 HydrophobicContact CG1-CG2 3.65Å; V118-L153 HydrophobicContact CB-CD1 4.21Å; V118-L153 HydrophobicContact CG1-CD1 4.23Å; V118-L153 HydrophobicContact CG2-CD1 3.49Å; V118-L153 VanDerWaalsContact CG2-CD1 3.49Å; V118-I159 HydrophobicContact CB-CD1 4.02Å; V118-I159 HydrophobicContact CG1-CD1 4.03Å; V118-I159 HydrophobicContact CG1-CG2 4.5Å
119	T	85.8	Confident	84.9	Confident	45 Å²	45	42 Å²	42	28%	0.276	23%	0.227	S	C	.	.	H	α-helix	trans	-60.7	-44.4	178.4	-51.5	0	0	0	0	110.6	K115 A116 A117 N123 I159	K115-T119 WeakPolarHBondContact O-CB 3.34Å; K115-T119 PolarHBondContact O-N 2.98Å; K115-T119 PolarHBondContact O-OG1 3.18Å; A116-T119 PolarHBondContact O-N 3.27Å; A117-T119 PolarHBondContact O-N 3.31Å; T119-N123 WeakPolarHBondContact O-CB 3.48Å; T119-N123 PolarHBondContact O-N 3.46Å; T119-N123 PolarHBondContact O-ND2 3.45Å; T119-I159 HydrophobicContact CG2-CG2 4.2Å; T119-I159 VanDerWaalsContact OG1-CG2 3.22Å; T119-I159 WeakPolarHBondContact OG1-CG2 3.2Å
120	K	88.2	Confident	85.5	Confident	79 Å²	79	45.3 Å²	45.3	34%	0.343	24%	0.243	S	C	.	.	H	α-helix	trans	-60.3	-52.4	178.5	-178.8	-177.9	175	-174.4	0	111.5	A116 A117 V118 L122 N123 E124	A116-K120 WeakPolarHBondContact O-CB 3.31Å; A116-K120 PolarHBondContact O-N 3.15Å; A117-K120 PolarHBondContact O-N 3Å; V118-K120 VanDerWaalsContact C-N 3.3Å; V118-K120 PolarHBondContact O-N 3.32Å; K120-L122 VanDerWaalsContact C-N 3.35Å; K120-L122 PolarHBondContact O-N 3.43Å; K120-N123 PolarHBondContact O-N 2.86Å; K120-E124 WeakPolarHBondContact CE-OE1 3.49Å; K120-E124 WeakPolarHBondContact CG-OE1 3.49Å; K120-E124 WeakPolarHBondContact O-CG 3.44Å; K120-E124 PolarHBondContact O-N 2.92Å
121	V	90.8	Very high	86.1	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.4	-40.3	-176.9	83.1	0	0	0	0	111.9	W81 N82 V85 K86 A117 V118 E124 L125	W81-V121 HydrophobicContact CH2-CG1 3.93Å; W81-V121 HydrophobicContact CZ3-CB 4.09Å; W81-V121 HydrophobicContact CZ3-CG1 3.54Å; N82-V121 HydrophobicContact CB-CG2 4.4Å; N82-V121 WeakPolarHBondContact OD1-CB 3.37Å; V85-V121 HydrophobicContact CB-CG2 4.18Å; V85-V121 HydrophobicContact CG1-CG1 4.31Å; V85-V121 HydrophobicContact CG1-CG2 3.9Å; K86-V121 HydrophobicContact CG-CG2 4.21Å; A117-V121 PolarHBondContact O-N 3.47Å; V118-V121 WeakPolarHBondContact O-CG1 3.5Å; V118-V121 PolarHBondContact O-N 2.78Å; V121-E124 PolarHBondContact O-N 3.29Å; V121-L125 HydrophobicContact CG2-CD1 4.06Å; V121-L125 HydrophobicContact CG2-CG 4.5Å; V121-L125 WeakPolarHBondContact O-CB 3.35Å; V121-L125 WeakPolarHBondContact O-CD1 3.29Å; V121-L125 VanDerWaalsContact O-CG 3.24Å; V121-L125 WeakPolarHBondContact O-CG 3.43Å; V121-L125 PolarHBondContact O-N 2.84Å
122	L	91.7	Very high	86.8	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-65.7	-43.7	179.4	-71.8	178.5	0	0	0	110.7	V118 K120 L125 M126 M142 I146 I149 V160	V118-L122 HydrophobicContact CG1-CD1 3.83Å; V118-L122 HydrophobicContact CG1-CG 4.33Å; V118-L122 WeakPolarHBondContact O-CB 3.33Å; V118-L122 WeakPolarHBondContact O-CG 3.19Å; V118-L122 PolarHBondContact O-N 2.84Å; K120-L122 VanDerWaalsContact C-N 3.35Å; K120-L122 PolarHBondContact O-N 3.43Å; L122-L125 PolarHBondContact O-N 3.14Å; L122-M126 VanDerWaalsContact O-CB 3.31Å; L122-M126 WeakPolarHBondContact O-CB 3.44Å; L122-M126 WeakPolarHBondContact O-CG 3.43Å; L122-M126 PolarHBondContact O-N 2.87Å; L122-M142 HydrophobicContact CD2-CE 3.82Å; L122-I146 HydrophobicContact CD2-CG1 4.18Å; L122-I149 HydrophobicContact CD1-CD1 4.42Å; L122-I149 HydrophobicContact CD2-CD1 3.97Å; L122-I149 HydrophobicContact CG-CD1 4.32Å; L122-V160 HydrophobicContact CD1-CG2 4.25Å
123	N	91	Very high	87.6	Confident	73 Å²	73	59.1 Å²	59.1	39%	0.39	30%	0.303	S	S	.	.	H	α-helix	trans	-61.7	-46.3	176.4	-72.2	-9.8	0	0	0	111.8	T119 K120 L125 M126 E127	T119-N123 WeakPolarHBondContact O-CB 3.48Å; T119-N123 PolarHBondContact O-N 3.46Å; T119-N123 PolarHBondContact O-ND2 3.45Å; K120-N123 PolarHBondContact O-N 2.86Å; N123-L125 VanDerWaalsContact C-N 3.34Å; N123-L125 PolarHBondContact O-N 2.97Å; N123-M126 PolarHBondContact O-N 3.49Å; N123-E127 WeakPolarHBondContact O-CB 3.14Å; N123-E127 WeakPolarHBondContact O-CG 3.37Å; N123-E127 PolarHBondContact O-N 3.37Å
124	E	92.6	Very high	88.6	Confident	54 Å²	54	59.9 Å²	59.9	25%	0.252	31%	0.305	S	S	.	.	H	α-helix	trans	-61.5	-41.4	179	-71.8	174.4	177.6	0	0	112	K86 K120 V121 E128	K86-E124 WeakPolarHBondContact CE-OE2 3.4Å; K86-E124 IonicContact NZ-OE2 2.61Å; K86-E124 PolarHBondContact NZ-OE2 2.76Å; K120-E124 WeakPolarHBondContact CE-OE1 3.49Å; K120-E124 WeakPolarHBondContact CG-OE1 3.49Å; K120-E124 WeakPolarHBondContact O-CG 3.44Å; K120-E124 PolarHBondContact O-N 2.92Å; V121-E124 PolarHBondContact O-N 3.29Å; E124-E128 WeakPolarHBondContact O-CB 3.44Å; E124-E128 PolarHBondContact O-N 2.82Å
125	L	94.1	Very high	89.5	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-68.4	-39.2	176.1	-72.4	168	0	0	0	112.2	V85 K86 V89 V121 L122 N123 E128 S129 W138 M142	V85-L125 HydrophobicContact CG1-CD1 4.26Å; K86-L125 HydrophobicContact CG-CD2 4.09Å; K86-L125 HydrophobicContact CG-CG 4.5Å; V89-L125 HydrophobicContact CB-CD2 4.22Å; V89-L125 HydrophobicContact CG1-CD2 4.19Å; V89-L125 HydrophobicContact CG2-CD1 4.03Å; V89-L125 HydrophobicContact CG2-CD2 4.24Å; V121-L125 HydrophobicContact CG2-CD1 4.06Å; V121-L125 HydrophobicContact CG2-CG 4.5Å; V121-L125 WeakPolarHBondContact O-CB 3.35Å; V121-L125 WeakPolarHBondContact O-CD1 3.29Å; V121-L125 VanDerWaalsContact O-CG 3.24Å; V121-L125 WeakPolarHBondContact O-CG 3.43Å; V121-L125 PolarHBondContact O-N 2.84Å; L122-L125 PolarHBondContact O-N 3.14Å; N123-L125 VanDerWaalsContact C-N 3.34Å; N123-L125 PolarHBondContact O-N 2.97Å; L125-E128 WeakPolarHBondContact O-CB 3.08Å; L125-E128 PolarHBondContact O-N 3.39Å; L125-S129 PolarHBondContact O-N 2.85Å; L125-W138 HydrophobicContact CB-CH2 4.4Å; L125-W138 HydrophobicContact CB-CZ2 4.28Å; L125-W138 HydrophobicContact CD2-CZ2 3.99Å; L125-W138 VanDerWaalsContact O-CH2 3.31Å; L125-W138 WeakPolarHBondContact O-CH2 3.21Å; L125-W138 WeakPolarHBondContact O-CZ2 3.42Å; L125-M142 HydrophobicContact CB-CE 3.72Å; L125-M142 HydrophobicContact CB-SD 3.98Å; L125-M142 HydrophobicContact CD1-CE 4.16Å; L125-M142 HydrophobicContact CD1-SD 3.74Å; L125-M142 HydrophobicContact CG-SD 4.4Å
126	M	92.1	Very high	90.3	Very high	19 Å²	19	58.3 Å²	58.3	9%	0.094	31%	0.306	C	S	.	.	H	α-helix	trans	-65.6	-43.5	176.5	-71	-73.7	-67.2	0	0	111.2	L122 N123 E128 S129 Q130 M142 Y168	L122-M126 VanDerWaalsContact O-CB 3.31Å; L122-M126 WeakPolarHBondContact O-CB 3.44Å; L122-M126 WeakPolarHBondContact O-CG 3.43Å; L122-M126 PolarHBondContact O-N 2.87Å; N123-M126 PolarHBondContact O-N 3.49Å; M126-E128 VanDerWaalsContact C-N 3.32Å; M126-E128 PolarHBondContact O-N 2.93Å; M126-S129 PolarHBondContact O-N 2.99Å; M126-S129 PolarHBondContact O-OG 3.36Å; M126-Q130 WeakPolarHBondContact O-CG 3.45Å; M126-Q130 PolarHBondContact O-N 3.45Å; M126-M142 HydrophobicContact CG-CE 4.27Å; M126-M142 HydrophobicContact SD-CE 4.29Å; M126-Y168 HydrophobicContact CE-CD2 4.33Å; M126-Y168 HydrophobicContact CE-CG 4.05Å; M126-Y168 HydrophobicContact SD-CD1 4.18Å; M126-Y168 HydrophobicContact SD-CD2 3.95Å; M126-Y168 HydrophobicContact SD-CG 3.7Å
127	E	92.3	Very high	90.9	Very high	108 Å²	108	57 Å²	57	51%	0.505	29%	0.291	S	S	.	.	H	α-helix	trans	-62.1	-38.3	173	-73.4	174.7	-169.4	0	0	112	N123 Q130 R131	N123-E127 WeakPolarHBondContact O-CB 3.14Å; N123-E127 WeakPolarHBondContact O-CG 3.37Å; N123-E127 PolarHBondContact O-N 3.37Å; E127-Q130 PolarHBondContact O-N 3.37Å; E127-R131 WeakPolarHBondContact O-CB 3.4Å; E127-R131 VanDerWaalsContact O-CG 3.27Å; E127-R131 WeakPolarHBondContact O-CG 3.33Å; E127-R131 PolarHBondContact O-N 2.92Å; E127-R131 PolarHBondContact O-NE 2.79Å
128	E	92.7	Very high	91.6	Very high	31 Å²	31	57.1 Å²	57.1	15%	0.145	29%	0.291	C	S	.	.	H	α-helix	trans	-61.3	-43.8	173	-167.7	178.9	135.9	0	0	112	E124 L125 M126 Q130 R131 E132 Q134 W138	E124-E128 WeakPolarHBondContact O-CB 3.44Å; E124-E128 PolarHBondContact O-N 2.82Å; L125-E128 WeakPolarHBondContact O-CB 3.08Å; L125-E128 PolarHBondContact O-N 3.39Å; M126-E128 VanDerWaalsContact C-N 3.32Å; M126-E128 PolarHBondContact O-N 2.93Å; E128-Q130 PolarHBondContact O-N 3.26Å; E128-R131 PolarHBondContact O-N 3.1Å; E128-E132 PolarHBondContact O-N 3.13Å; E128-Q134 PolarHBondContact O-NE2 3.42Å; E128-W138 PolarHBondContact OE1-NE1 3.45Å
129	S	92.3	Very high	92.1	Very high	24 Å²	24	59.2 Å²	59.2	17%	0.168	30%	0.301	C	S	.	.	H	α-helix	trans	-64.4	-25.2	177.1	79.5	0	0	0	0	114.4	L125 M126	L125-S129 PolarHBondContact O-N 2.85Å; M126-S129 PolarHBondContact O-N 2.99Å; M126-S129 PolarHBondContact O-OG 3.36Å
130	Q	90	Very high	92.6	Very high	152 Å²	152	57.2 Å²	57.2	71%	0.71	29%	0.289	S	S	*	.	H	α-helix	trans	-88.5	-30.2	178.9	-69.9	174.8	-2.6	0	0	112.6	M126 E127 E128	M126-Q130 WeakPolarHBondContact O-CG 3.45Å; M126-Q130 PolarHBondContact O-N 3.45Å; E127-Q130 PolarHBondContact O-N 3.37Å; E128-Q130 PolarHBondContact O-N 3.26Å
131	R	91.3	Very high	93	Very high	181 Å²	181	53.4 Å²	53.4	68%	0.683	27%	0.272	S	S	*	.	H	α-helix	trans	-73.7	-38.4	-178.5	-79.9	-178.6	-67.2	149.9	-1.3	112.7	E127 E128	E127-R131 WeakPolarHBondContact O-CB 3.4Å; E127-R131 VanDerWaalsContact O-CG 3.27Å; E127-R131 WeakPolarHBondContact O-CG 3.33Å; E127-R131 PolarHBondContact O-N 2.92Å; E127-R131 PolarHBondContact O-NE 2.79Å; E128-R131 PolarHBondContact O-N 3.1Å
132	E	89.7	Confident	93.3	Very high	107 Å²	107	53.4 Å²	53.4	50%	0.5	27%	0.272	S	S	.	.	S	Bend	trans	-141.8	148.6	-177.5	69.3	-173.2	174.5	0	0	112	E128 Q134	E128-E132 PolarHBondContact O-N 3.13Å; E132-Q134 PolarHBondContact O-N 2.83Å; E132-Q134 PolarHBondContact OE1-NE2 3.2Å
133	P	89.6	Confident	93.5	Very high	133 Å²	133	53.3 Å²	53.3	86%	0.864	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-60.2	124.9	175.3	-21.8	33.1	0	0	0	111.3
134	Q	93	Very high	93.7	Very high	35 Å²	35	49.8 Å²	49.8	16%	0.164	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-96.7	153.6	179.7	-63.8	-59.8	-22.4	0	0	112	E128 E132 W138	E128-Q134 PolarHBondContact O-NE2 3.42Å; E132-Q134 PolarHBondContact O-N 2.83Å; E132-Q134 PolarHBondContact OE1-NE2 3.2Å; Q134-W138 HydrophobicContact CB-CB 4.05Å; Q134-W138 HydrophobicContact CB-CD2 3.84Å; Q134-W138 HydrophobicContact CB-CE3 3.8Å; Q134-W138 HydrophobicContact CB-CG 3.94Å; Q134-W138 HydrophobicContact CG-CD2 3.71Å; Q134-W138 HydrophobicContact CG-CE3 3.85Å; Q134-W138 HydrophobicContact CG-CG 4.07Å; Q134-W138 HydrophobicContact CG-CZ2 4.46Å; Q134-W138 HydrophobicContact CG-CZ3 4.35Å
135	S	94.2	Very high	93.8	Very high	56 Å²	56	47.2 Å²	47.2	39%	0.392	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-76	159.5	177.8	69.7	0	0	0	0	112.1	T137 W138 H139	S135-T137 PolarHBondContact O-N 3.18Å; S135-W138 WeakPolarHBondContact O-CB 3.45Å; S135-W138 PolarHBondContact O-N 3.29Å; S135-W138 PolarHBondContact OG-N 3.12Å; S135-H139 PolarHBondContact O-CD2 2.75Å; S135-H139 PolarHBondContact O-N 3.31Å; S135-H139 VanDerWaalsContact O-N 3.08Å
136	P	94.2	Very high	93.7	Very high	59 Å²	59	47.2 Å²	47.2	38%	0.383	24%	0.241	S	C	.	.	H	α-helix	trans	-54.3	-36	170.1	-27.5	35.7	0	0	0	113.1	W138 H139 R140 D178 V181	P136-W138 PolarHBondContact O-N 3.4Å; P136-H139 PolarHBondContact O-N 3.32Å; P136-R140 WeakPolarHBondContact O-CB 3.28Å; P136-R140 PolarHBondContact O-N 2.83Å; P136-D178 HydrophobicContact CB-CB 4.05Å; P136-D178 HydrophobicContact CG-CB 4.41Å; P136-V181 HydrophobicContact CB-CG2 4.04Å; P136-V181 WeakPolarHBondContact O-CG2 3.23Å
137	T	94.5	Very high	93.6	Very high	35 Å²	35	46.4 Å²	46.4	22%	0.215	24%	0.237	C	C	.	.	H	α-helix	trans	-57.4	-48.2	174.5	-57	0	0	0	0	111.6	V92 S135 R140 N141	V92-T137 WeakPolarHBondContact O-CG2 3.4Å; S135-T137 PolarHBondContact O-N 3.18Å; T137-R140 PolarHBondContact O-N 2.83Å; T137-N141 VanDerWaalsContact O-CG 3.23Å; T137-N141 PolarHBondContact O-N 2.91Å; T137-N141 PolarHBondContact O-ND2 3.32Å
138	W	96.4	Very high	93.4	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.015	21%	0.213	C	C	.	.	H	α-helix	trans	-62.4	-49.7	179.6	-172.1	109.6	0	0	0	110.6	V89 L125 E128 Q134 S135 P136 R140 N141 M142 Y168	V89-W138 HydrophobicContact CG1-CD2 3.7Å; V89-W138 VanDerWaalsContact CG1-CE2 3.47Å; V89-W138 HydrophobicContact CG1-CE3 4.4Å; V89-W138 HydrophobicContact CG1-CG 3.87Å; V89-W138 HydrophobicContact CG1-CZ2 3.93Å; L125-W138 HydrophobicContact CB-CH2 4.4Å; L125-W138 HydrophobicContact CB-CZ2 4.28Å; L125-W138 HydrophobicContact CD2-CZ2 3.99Å; L125-W138 VanDerWaalsContact O-CH2 3.31Å; L125-W138 WeakPolarHBondContact O-CH2 3.21Å; L125-W138 WeakPolarHBondContact O-CZ2 3.42Å; E128-W138 PolarHBondContact OE1-NE1 3.45Å; Q134-W138 HydrophobicContact CB-CB 4.05Å; Q134-W138 HydrophobicContact CB-CD2 3.84Å; Q134-W138 HydrophobicContact CB-CE3 3.8Å; Q134-W138 HydrophobicContact CB-CG 3.94Å; Q134-W138 HydrophobicContact CG-CD2 3.71Å; Q134-W138 HydrophobicContact CG-CE3 3.85Å; Q134-W138 HydrophobicContact CG-CG 4.07Å; Q134-W138 HydrophobicContact CG-CZ2 4.46Å; Q134-W138 HydrophobicContact CG-CZ3 4.35Å; S135-W138 WeakPolarHBondContact O-CB 3.45Å; S135-W138 PolarHBondContact O-N 3.29Å; S135-W138 PolarHBondContact OG-N 3.12Å; P136-W138 PolarHBondContact O-N 3.4Å; W138-R140 VanDerWaalsContact C-N 3.34Å; W138-R140 PolarHBondContact O-N 3.38Å; W138-N141 PolarHBondContact O-N 2.76Å; W138-M142 HydrophobicContact CE3-CB 4.11Å; W138-M142 HydrophobicContact CH2-CB 4.22Å; W138-M142 HydrophobicContact CH2-CG 4.01Å; W138-M142 HydrophobicContact CH2-SD 4.35Å; W138-M142 HydrophobicContact CZ3-CB 3.77Å; W138-M142 HydrophobicContact CZ3-CG 3.87Å; W138-M142 WeakPolarHBondContact O-CB 3.29Å; W138-M142 PolarHBondContact O-N 2.89Å; W138-Y168 HydrophobicContact CZ3-CE2 4.49Å; W138-Y168 WeakPolarHBondContact CZ3-OH 3.16Å
139	H	96.9	Very high	93.1	Very high	45 Å²	45	40 Å²	40	21%	0.208	21%	0.207	C	C	.	.	H	α-helix	trans	-61.6	-42.2	179.6	-73.2	-62	0	0	0	112.4	S135 P136 M142 C143 Y168 V181	S135-H139 PolarHBondContact O-CD2 2.75Å; S135-H139 PolarHBondContact O-N 3.31Å; S135-H139 VanDerWaalsContact O-N 3.08Å; P136-H139 PolarHBondContact O-N 3.32Å; H139-M142 PolarHBondContact O-N 2.9Å; H139-C143 PolarHBondContact O-N 2.8Å; H139-C143 PolarHBondContact O-SG 3.01Å; H139-Y168 AromaticContact ND1-CE2 3.84Å; H139-Y168 AromaticContact ND1-CZ 3.76Å; H139-Y168 PolarHBondContact ND1-OH 2.72Å; H139-V181 HydrophobicContact CB-CG1 3.78Å; H139-V181 HydrophobicContact CB-CG2 3.87Å
140	R	96.2	Very high	92.5	Very high	2 Å²	2	39 Å²	39	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-59.7	-48.4	176	-179	-82.4	-57.2	-155.5	-0.9	111.1	V92 P93 L94 P136 T137 W138 C143 I144 T180 V181 F184	V92-R140 PolarHBondContact O-NH2 3.5Å; P93-R140 PolarHBondContact O-NH2 3.4Å; L94-R140 HydrophobicContact CD1-CB 4.29Å; L94-R140 HydrophobicContact CD1-CG 4.04Å; P136-R140 WeakPolarHBondContact O-CB 3.28Å; P136-R140 PolarHBondContact O-N 2.83Å; T137-R140 PolarHBondContact O-N 2.83Å; W138-R140 VanDerWaalsContact C-N 3.34Å; W138-R140 PolarHBondContact O-N 3.38Å; R140-C143 PolarHBondContact O-N 2.89Å; R140-I144 VanDerWaalsContact CD-CD1 3.42Å; R140-I144 WeakPolarHBondContact O-CG1 3.15Å; R140-I144 PolarHBondContact O-N 3.48Å; R140-I144 VanDerWaalsContact O-N 3.17Å; R140-T180 HydrophobicContact CG-CG2 3.88Å; R140-V181 HydrophobicContact CB-CG2 4.27Å; R140-F184 HydrophobicContact CG-CD2 3.47Å; R140-F184 VanDerWaalsContact CG-CD2 3.47Å; R140-F184 HydrophobicContact CG-CE2 3.92Å; R140-F184 HydrophobicContact CG-CG 4.16Å
141	N	97.1	Very high	91.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.8	-39.7	179.8	-67.1	-28.1	0	0	0	112	L88 V89 V92 I103 T137 W138 C143 I144 V145	L88-N141 PolarHBondContact O-ND2 3.2Å; V89-N141 HydrophobicContact CB-CB 4.49Å; V89-N141 WeakPolarHBondContact O-CB 3.47Å; V89-N141 PolarHBondContact O-ND2 3.49Å; V92-N141 PolarHBondContact O-ND2 2.79Å; I103-N141 HydrophobicContact CD1-CB 3.98Å; T137-N141 VanDerWaalsContact O-CG 3.23Å; T137-N141 PolarHBondContact O-N 2.91Å; T137-N141 PolarHBondContact O-ND2 3.32Å; W138-N141 PolarHBondContact O-N 2.76Å; N141-C143 VanDerWaalsContact C-N 3.3Å; N141-C143 PolarHBondContact O-N 2.8Å; N141-I144 PolarHBondContact O-N 3.24Å; N141-I144 VanDerWaalsContact O-N 3.17Å; N141-V145 WeakPolarHBondContact O-CG2 3.09Å; N141-V145 PolarHBondContact O-N 2.89Å
142	M	96.4	Very high	90.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-57.6	-44.1	174.7	-177	58.6	175.5	0	0	111.2	V89 L122 L125 M126 W138 H139 I144 V145 I146 Y168	V89-M142 HydrophobicContact CG1-CB 4.19Å; V89-M142 HydrophobicContact CG2-SD 4.37Å; L122-M142 HydrophobicContact CD2-CE 3.82Å; L125-M142 HydrophobicContact CB-CE 3.72Å; L125-M142 HydrophobicContact CB-SD 3.98Å; L125-M142 HydrophobicContact CD1-CE 4.16Å; L125-M142 HydrophobicContact CD1-SD 3.74Å; L125-M142 HydrophobicContact CG-SD 4.4Å; M126-M142 HydrophobicContact CG-CE 4.27Å; M126-M142 HydrophobicContact SD-CE 4.29Å; W138-M142 HydrophobicContact CE3-CB 4.11Å; W138-M142 HydrophobicContact CH2-CB 4.22Å; W138-M142 HydrophobicContact CH2-CG 4.01Å; W138-M142 HydrophobicContact CH2-SD 4.35Å; W138-M142 HydrophobicContact CZ3-CB 3.77Å; W138-M142 HydrophobicContact CZ3-CG 3.87Å; W138-M142 WeakPolarHBondContact O-CB 3.29Å; W138-M142 PolarHBondContact O-N 2.89Å; H139-M142 PolarHBondContact O-N 2.9Å; M142-I144 PolarHBondContact O-N 3.06Å; M142-V145 PolarHBondContact O-N 2.83Å; M142-I146 HydrophobicContact CE-CD1 4.01Å; M142-I146 HydrophobicContact CE-CG1 4.22Å; M142-I146 HydrophobicContact CG-CD1 4.01Å; M142-I146 VanDerWaalsContact O-CG1 3.27Å; M142-I146 WeakPolarHBondContact O-CG1 3.16Å; M142-I146 PolarHBondContact O-N 2.84Å; M142-I146 HydrophobicContact SD-CD1 4.4Å; M142-I146 HydrophobicContact SD-CG1 4.47Å; M142-Y168 HydrophobicContact CG-CE1 3.81Å
143	C	96.5	Very high	89.9	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.6	-40.3	176.3	-64	0	0	0	0	112.4	H139 R140 N141 I146 K147 L169 F184	H139-C143 PolarHBondContact O-N 2.8Å; H139-C143 PolarHBondContact O-SG 3.01Å; R140-C143 PolarHBondContact O-N 2.89Å; N141-C143 VanDerWaalsContact C-N 3.3Å; N141-C143 PolarHBondContact O-N 2.8Å; C143-I146 PolarHBondContact O-N 3.42Å; C143-K147 WeakPolarHBondContact O-CB 3.47Å; C143-K147 PolarHBondContact O-N 2.97Å; C143-L169 HydrophobicContact CB-CD2 4.43Å; C143-F184 HydrophobicContact CB-CB 3.8Å
144	I	95.5	Very high	88.2	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.6	-43.2	176.3	-61.3	166.7	0	0	0	111.1	P100 I103 R140 N141 M142 K147 C148 F184 F431	P100-I144 HydrophobicContact CB-CD1 3.74Å; P100-I144 HydrophobicContact CG-CD1 4.3Å; I103-I144 HydrophobicContact CB-CG2 3.75Å; I103-I144 HydrophobicContact CD1-CB 4.14Å; I103-I144 HydrophobicContact CD1-CD1 4.09Å; I103-I144 HydrophobicContact CD1-CG2 4.15Å; I103-I144 HydrophobicContact CG2-CB 4.32Å; I103-I144 HydrophobicContact CG2-CG2 3.61Å; R140-I144 VanDerWaalsContact CD-CD1 3.42Å; R140-I144 WeakPolarHBondContact O-CG1 3.15Å; R140-I144 PolarHBondContact O-N 3.48Å; R140-I144 VanDerWaalsContact O-N 3.17Å; N141-I144 PolarHBondContact O-N 3.24Å; N141-I144 VanDerWaalsContact O-N 3.17Å; M142-I144 PolarHBondContact O-N 3.06Å; I144-K147 WeakPolarHBondContact O-CB 3.47Å; I144-K147 PolarHBondContact O-N 3.22Å; I144-C148 PolarHBondContact O-N 2.68Å; I144-C148 PolarHBondContact O-SG 2.78Å; I144-F184 HydrophobicContact CD1-CD1 3.77Å; I144-F184 HydrophobicContact CD1-CE1 3.66Å; I144-F184 HydrophobicContact CD1-CE2 4.48Å; I144-F184 HydrophobicContact CD1-CG 4.21Å; I144-F184 HydrophobicContact CD1-CZ 4.05Å; I144-F184 HydrophobicContact CG1-CB 4.28Å; I144-F184 HydrophobicContact CG1-CD1 3.28Å; I144-F184 HydrophobicContact CG1-CE1 3.64Å; I144-F184 HydrophobicContact CG1-CG 3.83Å; I144-F184 HydrophobicContact CG1-CZ 4.46Å; I144-F431 HydrophobicContact CG2-CE2 4.32Å; I144-F431 HydrophobicContact CG2-CZ 4.24Å
145	V	94	Very high	86	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.2	-48.4	175.9	165.1	0	0	0	0	110.4	V85 V89 I103 F107 N141 M142 K147 C148 I149	V85-V145 HydrophobicContact CG1-CG1 3.79Å; V85-V145 HydrophobicContact CG1-CG2 4.42Å; V89-V145 HydrophobicContact CG2-CB 4.41Å; V89-V145 HydrophobicContact CG2-CG2 3.83Å; I103-V145 HydrophobicContact CG2-CG2 3.85Å; F107-V145 HydrophobicContact CE2-CG1 4.35Å; F107-V145 HydrophobicContact CE2-CG2 4.24Å; F107-V145 HydrophobicContact CZ-CG1 4.05Å; N141-V145 WeakPolarHBondContact O-CG2 3.09Å; N141-V145 PolarHBondContact O-N 2.89Å; M142-V145 PolarHBondContact O-N 2.83Å; V145-K147 VanDerWaalsContact C-N 3.33Å; V145-K147 PolarHBondContact O-N 3.11Å; V145-C148 PolarHBondContact O-N 2.81Å; V145-I149 HydrophobicContact CG1-CD1 3.67Å; V145-I149 HydrophobicContact CG1-CG1 4.39Å; V145-I149 VanDerWaalsContact O-CG1 3.24Å; V145-I149 WeakPolarHBondContact O-CG1 3.31Å; V145-I149 PolarHBondContact O-N 3.47Å
146	I	92.3	Very high	83.6	Confident	0 Å²	0	21 Å²	21	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-56.2	-48.8	175.5	-70	165.1	0	0	0	110.3	L122 M142 C143 C148 I149 C150 V160 V165 Y168 L169 A188	L122-I146 HydrophobicContact CD2-CG1 4.18Å; M142-I146 HydrophobicContact CE-CD1 4.01Å; M142-I146 HydrophobicContact CE-CG1 4.22Å; M142-I146 HydrophobicContact CG-CD1 4.01Å; M142-I146 VanDerWaalsContact O-CG1 3.27Å; M142-I146 WeakPolarHBondContact O-CG1 3.16Å; M142-I146 PolarHBondContact O-N 2.84Å; M142-I146 HydrophobicContact SD-CD1 4.4Å; M142-I146 HydrophobicContact SD-CG1 4.47Å; C143-I146 PolarHBondContact O-N 3.42Å; I146-C148 PolarHBondContact O-N 2.92Å; I146-I149 PolarHBondContact O-N 3.29Å; I146-C150 PolarHBondContact O-N 3.27Å; I146-C150 PolarHBondContact O-SG 3.24Å; I146-V160 HydrophobicContact CG2-CG1 3.65Å; I146-V165 HydrophobicContact CD1-CG1 3.98Å; I146-V165 HydrophobicContact CG1-CG1 4.29Å; I146-V165 HydrophobicContact CG2-CG1 3.89Å; I146-Y168 HydrophobicContact CD1-CD1 4.02Å; I146-Y168 HydrophobicContact CD1-CE1 4.02Å; I146-L169 HydrophobicContact CD1-CD2 3.88Å; I146-L169 HydrophobicContact CD1-CG 4.39Å; I146-L169 HydrophobicContact CG2-CD1 4.03Å; I146-L169 HydrophobicContact CG2-CD2 4.41Å; I146-A188 HydrophobicContact CG2-CB 4.14Å
147	K	90.9	Very high	81.3	Confident	3 Å²	3	21.2 Å²	21.2	1%	0.013	13%	0.134	C	C	.	.	H	α-helix	trans	-54.1	-51.4	176.6	-176.5	-169	172.1	-79.4	0	111.6	C143 I144 V145 I149 C150 E151 L187 A188 S191 D302 F431	C143-K147 WeakPolarHBondContact O-CB 3.47Å; C143-K147 PolarHBondContact O-N 2.97Å; I144-K147 WeakPolarHBondContact O-CB 3.47Å; I144-K147 PolarHBondContact O-N 3.22Å; V145-K147 VanDerWaalsContact C-N 3.33Å; V145-K147 PolarHBondContact O-N 3.11Å; K147-I149 PolarHBondContact O-N 2.83Å; K147-C150 WeakPolarHBondContact O-CB 3.48Å; K147-C150 PolarHBondContact O-N 2.87Å; K147-C150 VanDerWaalsContact O-N 3.16Å; K147-E151 WeakPolarHBondContact CE-OE1 3.35Å; K147-E151 IonicContact NZ-OE1 2.69Å; K147-E151 PolarHBondContact NZ-OE1 3.4Å; K147-E151 IonicContact NZ-OE2 3.87Å; K147-E151 PolarHBondContact NZ-OE2 2.99Å; K147-E151 WeakPolarHBondContact O-CG 3.16Å; K147-E151 PolarHBondContact O-N 2.69Å; K147-L187 HydrophobicContact CD-CB 4.11Å; K147-A188 HydrophobicContact CB-CB 4.09Å; K147-S191 WeakPolarHBondContact CG-OG 3.34Å; K147-D302 WeakPolarHBondContact CE-O 3.46Å; K147-D302 PolarHBondContact NZ-O 3.13Å; K147-F431 HydrophobicContact CD-CE1 3.86Å; K147-F431 HydrophobicContact CD-CZ 3.97Å
148	C	88.2	Confident	79.4	Confident	2 Å²	2	21.1 Å²	21.1	1%	0.014	14%	0.135	C	C	.	.	H	α-helix	trans	-63.5	-40.7	-178.2	-63.1	0	0	0	0	112	F107 I144 V145 I146 C150 E151 K152	F107-C148 HydrophobicContact CB-CB 3.78Å; F107-C148 HydrophobicContact CD1-CB 3.84Å; F107-C148 HydrophobicContact CD2-CB 3.6Å; F107-C148 HydrophobicContact CE1-CB 4.31Å; F107-C148 HydrophobicContact CE2-CB 4.14Å; F107-C148 HydrophobicContact CG-CB 3.46Å; F107-C148 VanDerWaalsContact CG-CB 3.46Å; F107-C148 HydrophobicContact CZ-CB 4.47Å; I144-C148 PolarHBondContact O-N 2.68Å; I144-C148 PolarHBondContact O-SG 2.78Å; V145-C148 PolarHBondContact O-N 2.81Å; I146-C148 PolarHBondContact O-N 2.92Å; C148-C150 VanDerWaalsContact C-N 3.32Å; C148-C150 PolarHBondContact O-N 3.01Å; C148-E151 PolarHBondContact O-N 3.14Å; C148-K152 WeakPolarHBondContact O-CB 3.38Å; C148-K152 WeakPolarHBondContact O-CG 3.36Å; C148-K152 PolarHBondContact O-N 2.87Å
149	I	85.4	Confident	77.5	Confident	2 Å²	2	22.1 Å²	22.1	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-61.7	-42.7	175.2	-66.1	165.5	0	0	0	110.3	F107 V118 L122 V145 I146 K147 E151 K152 L153 V160	F107-I149 HydrophobicContact CD1-CG1 4.48Å; F107-I149 HydrophobicContact CE1-CD1 4.42Å; F107-I149 HydrophobicContact CE1-CG1 3.46Å; F107-I149 VanDerWaalsContact CE1-CG1 3.46Å; F107-I149 HydrophobicContact CZ-CD1 4.31Å; F107-I149 HydrophobicContact CZ-CG1 3.77Å; V118-I149 HydrophobicContact CG1-CD1 4.27Å; V118-I149 HydrophobicContact CG1-CG2 3.65Å; L122-I149 HydrophobicContact CD1-CD1 4.42Å; L122-I149 HydrophobicContact CD2-CD1 3.97Å; L122-I149 HydrophobicContact CG-CD1 4.32Å; V145-I149 HydrophobicContact CG1-CD1 3.67Å; V145-I149 HydrophobicContact CG1-CG1 4.39Å; V145-I149 VanDerWaalsContact O-CG1 3.24Å; V145-I149 WeakPolarHBondContact O-CG1 3.31Å; V145-I149 PolarHBondContact O-N 3.47Å; I146-I149 PolarHBondContact O-N 3.29Å; K147-I149 PolarHBondContact O-N 2.83Å; I149-E151 VanDerWaalsContact C-N 3.34Å; I149-E151 PolarHBondContact O-N 2.96Å; I149-K152 PolarHBondContact O-N 3.09Å; I149-L153 HydrophobicContact CG2-CD1 3.88Å; I149-L153 HydrophobicContact CG2-CG 4.37Å; I149-L153 WeakPolarHBondContact O-CB 3.43Å; I149-L153 PolarHBondContact O-N 3.28Å; I149-V160 HydrophobicContact CB-CG2 4.23Å; I149-V160 HydrophobicContact CG2-CG2 3.39Å
150	C	79.6	Confident	75.6	Confident	3 Å²	3	20 Å²	20	2%	0.02	13%	0.131	C	C	.	.	H	α-helix	trans	-61.2	-45.1	177.8	-64	0	0	0	0	111.5	I146 K147 C148 K152 V160 L192 F195	I146-C150 PolarHBondContact O-N 3.27Å; I146-C150 PolarHBondContact O-SG 3.24Å; K147-C150 WeakPolarHBondContact O-CB 3.48Å; K147-C150 PolarHBondContact O-N 2.87Å; K147-C150 VanDerWaalsContact O-N 3.16Å; C148-C150 VanDerWaalsContact C-N 3.32Å; C148-C150 PolarHBondContact O-N 3.01Å; C150-K152 VanDerWaalsContact C-N 3.35Å; C150-K152 PolarHBondContact O-N 3.11Å; C150-V160 WeakPolarHBondContact SG-CG1 3.42Å; C150-L192 WeakPolarHBondContact SG-CD2 3.14Å; C150-L192 VanDerWaalsContact SG-CG 3.54Å; C150-F195 HydrophobicContact CB-CD2 4.5Å; C150-F195 HydrophobicContact CB-CE2 3.8Å; C150-F195 WeakPolarHBondContact O-CE2 3.41Å; C150-F195 WeakPolarHBondContact O-CZ 3.49Å
151	E	76.4	Confident	73.9	Confident	19 Å²	19	21.9 Å²	21.9	9%	0.089	14%	0.144	C	C	.	.	H	α-helix	trans	-59.5	-44.2	177.2	-74.3	176.3	153	0	0	112.3	K147 C148 I149 F518	K147-E151 WeakPolarHBondContact CE-OE1 3.35Å; K147-E151 IonicContact NZ-OE1 2.69Å; K147-E151 PolarHBondContact NZ-OE1 3.4Å; K147-E151 IonicContact NZ-OE2 3.87Å; K147-E151 PolarHBondContact NZ-OE2 2.99Å; K147-E151 WeakPolarHBondContact O-CG 3.16Å; K147-E151 PolarHBondContact O-N 2.69Å; C148-E151 PolarHBondContact O-N 3.14Å; I149-E151 VanDerWaalsContact C-N 3.34Å; I149-E151 PolarHBondContact O-N 2.96Å; E151-F518 HydrophobicContact CB-CE2 3.93Å; E151-F518 HydrophobicContact CB-CZ 3.77Å; E151-F518 WeakPolarHBondContact O-CD2 3.32Å; E151-F518 WeakPolarHBondContact O-CE2 3.48Å
152	K	72.8	Confident	72.6	Confident	35 Å²	35	25.5 Å²	25.5	15%	0.152	16%	0.163	C	C	.	.	H	α-helix	trans	-85.3	-29.9	-174.3	-64.8	-67.1	179.5	174.2	0	115.3	F107 D108 L112 C148 I149 C150 F518	F107-K152 VanDerWaalsContact O-CE 3.27Å; F107-K152 WeakPolarHBondContact O-CE 3.44Å; D108-K152 WeakPolarHBondContact OD1-CE 3.36Å; D108-K152 IonicContact OD1-NZ 3.92Å; D108-K152 PolarHBondContact OD1-NZ 3.12Å; L112-K152 HydrophobicContact CD1-CB 4.08Å; L112-K152 HydrophobicContact CD2-CB 3.44Å; L112-K152 VanDerWaalsContact CD2-CB 3.44Å; L112-K152 HydrophobicContact CD2-CD 4.16Å; L112-K152 HydrophobicContact CD2-CG 3.83Å; L112-K152 HydrophobicContact CG-CB 4.42Å; C148-K152 WeakPolarHBondContact O-CB 3.38Å; C148-K152 WeakPolarHBondContact O-CG 3.36Å; C148-K152 PolarHBondContact O-N 2.87Å; I149-K152 PolarHBondContact O-N 3.09Å; C150-K152 VanDerWaalsContact C-N 3.35Å; C150-K152 PolarHBondContact O-N 3.11Å; K152-F518 HydrophobicContact CD-CD1 4.09Å; K152-F518 HydrophobicContact CD-CE1 3.84Å
153	L	66.7	Low	71.8	Confident	37 Å²	37	28.5 Å²	28.5	19%	0.194	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	28.7	-175.9	-62	-174.7	0	0	0	113.7	L112 V118 I149 G155	L112-L153 HydrophobicContact CB-CD2 4.4Å; L112-L153 HydrophobicContact CD1-CD2 4.34Å; V118-L153 HydrophobicContact CB-CD1 4.21Å; V118-L153 HydrophobicContact CG1-CD1 4.23Å; V118-L153 HydrophobicContact CG2-CD1 3.49Å; V118-L153 VanDerWaalsContact CG2-CD1 3.49Å; I149-L153 HydrophobicContact CG2-CD1 3.88Å; I149-L153 HydrophobicContact CG2-CG 4.37Å; I149-L153 WeakPolarHBondContact O-CB 3.43Å; I149-L153 PolarHBondContact O-N 3.28Å; L153-G155 PolarHBondContact O-N 2.81Å
154	A	54.1	Low	71.4	Confident	37 Å²	37	30.5 Å²	30.5	31%	0.306	20%	0.198	S	C	.	.			trans	-53.6	133.8	178	0	0	0	0	0	113.4	F195	A154-F195 HydrophobicContact CB-CD1 3.57Å; A154-F195 HydrophobicContact CB-CE1 3.43Å; A154-F195 VanDerWaalsContact CB-CE1 3.43Å; A154-F195 HydrophobicContact CB-CG 4.43Å; A154-F195 HydrophobicContact CB-CZ 4.21Å
155	G	48.6	Very low	71.1	Confident	41 Å²	41	30.7 Å²	30.7	42%	0.423	20%	0.2	S	C	.	.	S	Bend	trans	132.8	-174	174.2	0	0	0	0	0	114.7	L153 N157 S158	L153-G155 PolarHBondContact O-N 2.81Å; G155-N157 PolarHBondContact O-N 3.34Å; G155-S158 PolarHBondContact O-N 2.9Å
156	S	43.7	Very low	70.9	Confident	116 Å²	116	30.7 Å²	30.7	81%	0.811	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	2.1	-177.4	53.9	0	0	0	0	115.4
157	N	45.3	Very low	70.8	Confident	64 Å²	64	34.9 Å²	34.9	34%	0.342	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	6.8	174.7	-87	-33.7	0	0	0	114.4	K115 G155 I159	K115-N157 HydrophobicContact CD-CB 4.19Å; K115-N157 PolarHBondContact NZ-O 3.47Å; K115-N157 PolarHBondContact NZ-OD1 3.16Å; G155-N157 PolarHBondContact O-N 3.34Å; N157-I159 WeakPolarHBondContact O-CG1 3.39Å; N157-I159 PolarHBondContact O-N 2.91Å
158	S	54.7	Low	71	Confident	33 Å²	33	35.6 Å²	35.6	23%	0.231	23%	0.225	C	C	.	.			trans	-51.2	94.9	178.1	-178	0	0	0	0	111.7	G155 V160 S161	G155-S158 PolarHBondContact O-N 2.9Å; S158-V160 PolarHBondContact O-N 2.71Å; S158-S161 WeakPolarHBondContact CB-OG 3.48Å; S158-S161 PolarHBondContact O-N 2.84Å; S158-S161 PolarHBondContact OG-N 3.48Å; S158-S161 PolarHBondContact OG-OG 3.12Å
159	I	56.4	Low	71.3	Confident	25 Å²	25	35.5 Å²	35.5	13%	0.128	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-63.9	-30.2	173.1	-62.2	131.9	0	0	0	109.6	K115 V118 T119 N157 S161 D162	K115-I159 HydrophobicContact CB-CD1 3.66Å; K115-I159 HydrophobicContact CB-CG1 4.39Å; K115-I159 HydrophobicContact CD-CD1 3.74Å; K115-I159 HydrophobicContact CD-CG1 3.59Å; K115-I159 VanDerWaalsContact CE-CG1 3.5Å; K115-I159 HydrophobicContact CG-CD1 3.39Å; K115-I159 HydrophobicContact CG-CG1 3.57Å; K115-I159 WeakPolarHBondContact O-CD1 3.33Å; V118-I159 HydrophobicContact CB-CD1 4.02Å; V118-I159 HydrophobicContact CG1-CD1 4.03Å; V118-I159 HydrophobicContact CG1-CG2 4.5Å; T119-I159 HydrophobicContact CG2-CG2 4.2Å; T119-I159 VanDerWaalsContact OG1-CG2 3.22Å; T119-I159 WeakPolarHBondContact OG1-CG2 3.2Å; N157-I159 WeakPolarHBondContact O-CG1 3.39Å; N157-I159 PolarHBondContact O-N 2.91Å; I159-S161 PolarHBondContact O-N 3.4Å; I159-D162 WeakPolarHBondContact O-CB 3.49Å; I159-D162 PolarHBondContact O-N 3.44Å
160	V	57.3	Low	71.8	Confident	2 Å²	2	36 Å²	36	1%	0.012	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-75.6	-12.6	-173.7	-155.9	0	0	0	0	112.4	L122 I146 I149 C150 S158 D162 V165 L192	L122-V160 HydrophobicContact CD1-CG2 4.25Å; I146-V160 HydrophobicContact CG2-CG1 3.65Å; I149-V160 HydrophobicContact CB-CG2 4.23Å; I149-V160 HydrophobicContact CG2-CG2 3.39Å; C150-V160 WeakPolarHBondContact SG-CG1 3.42Å; S158-V160 PolarHBondContact O-N 2.71Å; V160-D162 PolarHBondContact O-N 3.31Å; V160-V165 HydrophobicContact CG1-CB 4.42Å; V160-V165 HydrophobicContact CG1-CG1 3.7Å; V160-L192 HydrophobicContact CB-CD2 3.98Å; V160-L192 HydrophobicContact CG1-CD2 3.97Å
161	S	59.6	Low	72.5	Confident	40 Å²	40	38.3 Å²	38.3	28%	0.28	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-75.3	3.3	170.1	-60.1	0	0	0	0	113.2	S158 I159 S163 T215	S158-S161 WeakPolarHBondContact CB-OG 3.48Å; S158-S161 PolarHBondContact O-N 2.84Å; S158-S161 PolarHBondContact OG-N 3.48Å; S158-S161 PolarHBondContact OG-OG 3.12Å; I159-S161 PolarHBondContact O-N 3.4Å; S161-S163 PolarHBondContact O-N 3.38Å; S161-T215 WeakPolarHBondContact CB-OG1 3.36Å; S161-T215 PolarHBondContact OG-OG1 3.02Å
162	D	71.2	Confident	73.5	Confident	76 Å²	76	37.6 Å²	37.6	41%	0.406	24%	0.24	S	C	.	.	S	Bend	trans	-56	136.2	170	-174.7	3.4	0	0	0	110.4	I159 V160 S164 V165 V166	I159-D162 WeakPolarHBondContact O-CB 3.49Å; I159-D162 PolarHBondContact O-N 3.44Å; V160-D162 PolarHBondContact O-N 3.31Å; D162-S164 PolarHBondContact O-N 2.89Å; D162-S164 VanDerWaalsContact O-N 3.15Å; D162-S164 PolarHBondContact OD1-N 2.88Å; D162-S164 PolarHBondContact OD2-OG 3.33Å; D162-V165 PolarHBondContact O-N 3.12Å; D162-V165 VanDerWaalsContact O-N 3.13Å; D162-V166 PolarHBondContact O-N 2.83Å
163	S	79.4	Confident	74.6	Confident	64 Å²	64	36.1 Å²	36.1	45%	0.448	23%	0.234	S	C	.	.	H	α-helix	trans	-55.4	-30.6	176.1	-60.3	0	0	0	0	111.6	S161 N167	S161-S163 PolarHBondContact O-N 3.38Å; S163-N167 WeakPolarHBondContact O-CB 3.49Å; S163-N167 PolarHBondContact O-N 2.91Å; S163-N167 PolarHBondContact O-ND2 3.36Å
164	S	86.4	Confident	75.9	Confident	41 Å²	41	40 Å²	40	29%	0.287	25%	0.249	S	C	.	.	H	α-helix	trans	-60.7	-47.3	176.6	69.6	0	0	0	0	112.8	D162 N167 Y168	D162-S164 PolarHBondContact O-N 2.89Å; D162-S164 VanDerWaalsContact O-N 3.15Å; D162-S164 PolarHBondContact OD1-N 2.88Å; D162-S164 PolarHBondContact OD2-OG 3.33Å; S164-N167 PolarHBondContact O-N 3.13Å; S164-Y168 PolarHBondContact O-N 2.69Å
165	V	89.4	Confident	77.6	Confident	5 Å²	5	42.3 Å²	42.3	3%	0.03	26%	0.261	C	S	.	.	H	α-helix	trans	-68.8	-44.3	-179.9	179	0	0	0	0	110.5	I146 V160 D162 N167 Y168 L169	I146-V165 HydrophobicContact CD1-CG1 3.98Å; I146-V165 HydrophobicContact CG1-CG1 4.29Å; I146-V165 HydrophobicContact CG2-CG1 3.89Å; V160-V165 HydrophobicContact CG1-CB 4.42Å; V160-V165 HydrophobicContact CG1-CG1 3.7Å; D162-V165 PolarHBondContact O-N 3.12Å; D162-V165 VanDerWaalsContact O-N 3.13Å; V165-N167 VanDerWaalsContact C-N 3.34Å; V165-N167 PolarHBondContact O-N 3.01Å; V165-Y168 PolarHBondContact O-N 3.18Å; V165-L169 HydrophobicContact CG1-CD1 4.38Å; V165-L169 WeakPolarHBondContact O-CG 3.44Å; V165-L169 PolarHBondContact O-N 3.34Å
166	V	89.8	Confident	79.6	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.1	-46.8	176.3	177	0	0	0	0	110.5	D162 Y168 L169 L170 L192 T215 L218 I219	D162-V166 PolarHBondContact O-N 2.83Å; V166-Y168 VanDerWaalsContact C-N 3.33Å; V166-Y168 PolarHBondContact O-N 3.13Å; V166-L169 PolarHBondContact O-N 3.2Å; V166-L170 HydrophobicContact CG1-CD1 3.77Å; V166-L170 HydrophobicContact CG1-CG 4.31Å; V166-L170 WeakPolarHBondContact O-CB 3.21Å; V166-L170 VanDerWaalsContact O-CG 3.24Å; V166-L170 WeakPolarHBondContact O-CG 2.89Å; V166-L170 PolarHBondContact O-N 2.99Å; V166-L192 HydrophobicContact CG2-CD1 4.37Å; V166-T215 HydrophobicContact CG2-CG2 3.81Å; V166-L218 HydrophobicContact CB-CD2 4.43Å; V166-L218 HydrophobicContact CG1-CD2 4.05Å; V166-I219 HydrophobicContact CG1-CG1 3.83Å
167	N	91.8	Very high	82.1	Confident	88 Å²	88	42.5 Å²	42.5	47%	0.471	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-38.7	178.1	-73.2	-25.4	0	0	0	112.5	S163 S164 V165 L170 S171	S163-N167 WeakPolarHBondContact O-CB 3.49Å; S163-N167 PolarHBondContact O-N 2.91Å; S163-N167 PolarHBondContact O-ND2 3.36Å; S164-N167 PolarHBondContact O-N 3.13Å; V165-N167 VanDerWaalsContact C-N 3.34Å; V165-N167 PolarHBondContact O-N 3.01Å; N167-L170 PolarHBondContact O-N 3.04Å; N167-S171 WeakPolarHBondContact O-CB 3.36Å; N167-S171 PolarHBondContact O-N 2.91Å
168	Y	94.2	Very high	84.5	Confident	17 Å²	17	42.1 Å²	42.1	7%	0.067	25%	0.249	C	C	.	.	H	α-helix	trans	-62	-50.1	174.2	167.4	-95	0	0	0	111.5	M126 W138 H139 M142 I146 S164 V165 V166 L170 S171 C172	M126-Y168 HydrophobicContact CE-CD2 4.33Å; M126-Y168 HydrophobicContact CE-CG 4.05Å; M126-Y168 HydrophobicContact SD-CD1 4.18Å; M126-Y168 HydrophobicContact SD-CD2 3.95Å; M126-Y168 HydrophobicContact SD-CG 3.7Å; W138-Y168 HydrophobicContact CZ3-CE2 4.49Å; W138-Y168 WeakPolarHBondContact CZ3-OH 3.16Å; H139-Y168 AromaticContact ND1-CE2 3.84Å; H139-Y168 AromaticContact ND1-CZ 3.76Å; H139-Y168 PolarHBondContact ND1-OH 2.72Å; M142-Y168 HydrophobicContact CG-CE1 3.81Å; I146-Y168 HydrophobicContact CD1-CD1 4.02Å; I146-Y168 HydrophobicContact CD1-CE1 4.02Å; S164-Y168 PolarHBondContact O-N 2.69Å; V165-Y168 PolarHBondContact O-N 3.18Å; V166-Y168 VanDerWaalsContact C-N 3.33Å; V166-Y168 PolarHBondContact O-N 3.13Å; Y168-L170 VanDerWaalsContact C-N 3.33Å; Y168-L170 PolarHBondContact O-N 3.27Å; Y168-S171 WeakPolarHBondContact O-CA 3.46Å; Y168-S171 WeakPolarHBondContact O-CB 3.36Å; Y168-S171 PolarHBondContact O-N 2.82Å; Y168-S171 PolarHBondContact O-OG 2.97Å; Y168-C172 PolarHBondContact O-N 2.8Å; Y168-C172 VanDerWaalsContact O-N 3.08Å; Y168-C172 PolarHBondContact O-SG 3.35Å
169	L	95.3	Very high	86.5	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.7	-44	177.9	-67.7	175.8	0	0	0	111.7	C143 I146 V165 V166 S171 C172 L173 S185 A188 L189 L192	C143-L169 HydrophobicContact CB-CD2 4.43Å; I146-L169 HydrophobicContact CD1-CD2 3.88Å; I146-L169 HydrophobicContact CD1-CG 4.39Å; I146-L169 HydrophobicContact CG2-CD1 4.03Å; I146-L169 HydrophobicContact CG2-CD2 4.41Å; V165-L169 HydrophobicContact CG1-CD1 4.38Å; V165-L169 WeakPolarHBondContact O-CG 3.44Å; V165-L169 PolarHBondContact O-N 3.34Å; V166-L169 PolarHBondContact O-N 3.2Å; L169-S171 VanDerWaalsContact C-N 3.28Å; L169-S171 PolarHBondContact O-N 3.28Å; L169-C172 WeakPolarHBondContact O-CA 3.09Å; L169-C172 WeakPolarHBondContact O-CB 3.5Å; L169-C172 PolarHBondContact O-N 3.11Å; L169-L173 PolarHBondContact O-N 3.12Å; L169-S185 VanDerWaalsContact C-OG 3.24Å; L169-S185 WeakPolarHBondContact CA-OG 3.38Å; L169-S185 WeakPolarHBondContact CB-OG 3.49Å; L169-S185 PolarHBondContact O-OG 2.9Å; L169-A188 HydrophobicContact CD1-CB 3.86Å; L169-A188 HydrophobicContact CD2-CB 3.77Å; L169-A188 HydrophobicContact CG-CB 4.48Å; L169-L189 HydrophobicContact CB-CD1 4.16Å; L169-L189 HydrophobicContact CB-CD2 3.78Å; L169-L189 HydrophobicContact CB-CG 3.83Å; L169-L189 HydrophobicContact CD1-CD2 3.81Å; L169-L189 HydrophobicContact CD1-CG 3.93Å; L169-L189 HydrophobicContact CG-CD2 4.49Å; L169-L192 HydrophobicContact CD1-CD1 3.48Å; L169-L192 VanDerWaalsContact CD1-CD1 3.48Å
170	L	95.2	Very high	88.4	Confident	13 Å²	13	42.2 Å²	42.2	7%	0.068	25%	0.25	C	S	.	.	H	α-helix	trans	-60.4	-37.9	175	-69.5	169.2	0	0	0	111.9	V166 N167 Y168 C172 L173 L189 I219 H222 F223	V166-L170 HydrophobicContact CG1-CD1 3.77Å; V166-L170 HydrophobicContact CG1-CG 4.31Å; V166-L170 WeakPolarHBondContact O-CB 3.21Å; V166-L170 VanDerWaalsContact O-CG 3.24Å; V166-L170 WeakPolarHBondContact O-CG 2.89Å; V166-L170 PolarHBondContact O-N 2.99Å; N167-L170 PolarHBondContact O-N 3.04Å; Y168-L170 VanDerWaalsContact C-N 3.33Å; Y168-L170 PolarHBondContact O-N 3.27Å; L170-C172 PolarHBondContact O-N 2.77Å; L170-L173 PolarHBondContact O-N 3.38Å; L170-L173 VanDerWaalsContact O-N 3.15Å; L170-L189 HydrophobicContact CD2-CD1 4.15Å; L170-I219 HydrophobicContact CD2-CG2 4.43Å; L170-H222 HydrophobicContact CD1-CB 3.99Å; L170-F223 HydrophobicContact CD2-CD1 4.4Å; L170-F223 HydrophobicContact CD2-CE1 3.68Å; L170-F223 HydrophobicContact CD2-CZ 4.08Å
171	S	94.7	Very high	90.3	Very high	51 Å²	51	42.4 Å²	42.4	36%	0.357	25%	0.252	S	S	.	.	H	α-helix	trans	-65	-28.8	174.9	85.1	0	0	0	0	113.2	N167 Y168 L169 L173 K174 N177	N167-S171 WeakPolarHBondContact O-CB 3.36Å; N167-S171 PolarHBondContact O-N 2.91Å; Y168-S171 WeakPolarHBondContact O-CA 3.46Å; Y168-S171 WeakPolarHBondContact O-CB 3.36Å; Y168-S171 PolarHBondContact O-N 2.82Å; Y168-S171 PolarHBondContact O-OG 2.97Å; L169-S171 VanDerWaalsContact C-N 3.28Å; L169-S171 PolarHBondContact O-N 3.28Å; S171-L173 VanDerWaalsContact C-N 3.34Å; S171-K174 WeakPolarHBondContact O-CG 3.49Å; S171-N177 PolarHBondContact O-ND2 3.33Å
172	C	96.7	Very high	92.1	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.034	24%	0.239	C	C	.	.	H	α-helix	trans	-74.3	-20.2	174.9	-69	0	0	0	0	113.1	Y168 L169 L170 K174 N177 V181 C182	Y168-C172 PolarHBondContact O-N 2.8Å; Y168-C172 VanDerWaalsContact O-N 3.08Å; Y168-C172 PolarHBondContact O-SG 3.35Å; L169-C172 WeakPolarHBondContact O-CA 3.09Å; L169-C172 WeakPolarHBondContact O-CB 3.5Å; L169-C172 PolarHBondContact O-N 3.11Å; L170-C172 PolarHBondContact O-N 2.77Å; C172-K174 VanDerWaalsContact C-N 3.31Å; C172-K174 PolarHBondContact O-N 3.36Å; C172-N177 VanDerWaalsContact C-ND2 3.27Å; C172-N177 WeakPolarHBondContact CA-ND2 3.02Å; C172-N177 PolarHBondContact O-ND2 2.76Å; C172-V181 HydrophobicContact CB-CG1 3.88Å; C172-C182 PolarHBondContact O-SG 2.83Å
173	L	96	Very high	93.4	Very high	3 Å²	3	37 Å²	37	2%	0.016	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	9.6	-179.7	-75.2	-174.9	0	0	0	115.3	L169 L170 S171 C182 L186 L189 F223 L231 F234	L169-L173 PolarHBondContact O-N 3.12Å; L170-L173 PolarHBondContact O-N 3.38Å; L170-L173 VanDerWaalsContact O-N 3.15Å; S171-L173 VanDerWaalsContact C-N 3.34Å; L173-C182 HydrophobicContact CD2-CB 4.42Å; L173-C182 WeakPolarHBondContact CD2-O 3.5Å; L173-L186 HydrophobicContact CD2-CB 3.96Å; L173-L189 HydrophobicContact CD1-CD1 3.34Å; L173-L189 HydrophobicContact CG-CD1 4.09Å; L173-F223 HydrophobicContact CD1-CE1 3.97Å; L173-F223 HydrophobicContact CD1-CZ 3.89Å; L173-L231 HydrophobicContact CD1-CD2 4.35Å; L173-F234 HydrophobicContact CD2-CE2 4.3Å; L173-F234 WeakPolarHBondContact O-CE2 3.45Å; L173-F234 VanDerWaalsContact O-CZ 3.23Å; L173-F234 WeakPolarHBondContact O-CZ 3.47Å
174	K	93.4	Very high	94.3	Very high	119 Å²	119	34.3 Å²	34.3	52%	0.517	20%	0.2	S	C	.	.			trans	-66	135.1	177.8	-66.4	175.9	-177.7	176.8	0	110.4	S171 C172 S176 N177	S171-K174 WeakPolarHBondContact O-CG 3.49Å; C172-K174 VanDerWaalsContact C-N 3.31Å; C172-K174 PolarHBondContact O-N 3.36Å; K174-S176 PolarHBondContact O-N 3.28Å; K174-N177 WeakPolarHBondContact O-CB 3.31Å; K174-N177 PolarHBondContact O-N 3.01Å
175	P	90.3	Very high	94.8	Very high	85 Å²	85	32.4 Å²	32.4	55%	0.552	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-17.5	178.7	-27.4	35.2	0	0	0	115.8	N177 F234	P175-N177 VanDerWaalsContact C-N 3.35Å; P175-F234 HydrophobicContact CB-CE1 4.2Å; P175-F234 HydrophobicContact CG-CE1 4.29Å; P175-F234 HydrophobicContact CG-CZ 4.28Å
176	S	91.8	Very high	95.2	Very high	106 Å²	106	32.1 Å²	32.1	74%	0.741	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-14.5	175	56.2	0	0	0	0	114.4	K174	K174-S176 PolarHBondContact O-N 3.28Å
177	N	95.4	Very high	95.5	Very high	55 Å²	55	32.2 Å²	32.2	29%	0.294	19%	0.185	S	C	.	.	S	Bend	trans	-82.1	166.5	-176.9	-64.3	-12.5	0	0	0	111.3	S171 C172 K174 P175	S171-N177 PolarHBondContact O-ND2 3.33Å; C172-N177 VanDerWaalsContact C-ND2 3.27Å; C172-N177 WeakPolarHBondContact CA-ND2 3.02Å; C172-N177 PolarHBondContact O-ND2 2.76Å; K174-N177 WeakPolarHBondContact O-CB 3.31Å; K174-N177 PolarHBondContact O-N 3.01Å; P175-N177 VanDerWaalsContact C-N 3.35Å
178	D	95.4	Very high	95.6	Very high	56 Å²	56	28 Å²	28	30%	0.299	16%	0.163	S	C	.	.			trans	-55.6	128.4	174.3	-174.5	-78.4	0	0	0	111.1	P136 T180 V181 C182	P136-D178 HydrophobicContact CB-CB 4.05Å; P136-D178 HydrophobicContact CG-CB 4.41Å; D178-T180 PolarHBondContact O-N 3.3Å; D178-T180 VanDerWaalsContact O-N 3.14Å; D178-T180 WeakPolarHBondContact OD1-CA 3.05Å; D178-T180 WeakPolarHBondContact OD1-CB 3.49Å; D178-T180 PolarHBondContact OD1-N 3.31Å; D178-T180 PolarHBondContact OD1-OG1 3.46Å; D178-V181 HydrophobicContact CB-CB 4.22Å; D178-V181 HydrophobicContact CB-CG2 3.94Å; D178-V181 WeakPolarHBondContact O-CB 3.38Å; D178-V181 PolarHBondContact O-N 3.49Å; D178-V181 PolarHBondContact OD1-N 2.96Å; D178-C182 PolarHBondContact O-N 3.48Å
179	P	96.6	Very high	95.5	Very high	35 Å²	35	27.2 Å²	27.2	23%	0.227	16%	0.16	C	C	.	.	H	α-helix	trans	-56.5	-31	-178.4	-28	35.5	0	0	0	114.1	C182 L183 T244 K245 L248	P179-C182 PolarHBondContact O-N 2.86Å; P179-L183 WeakPolarHBondContact O-CB 3.28Å; P179-L183 PolarHBondContact O-N 3.14Å; P179-T244 HydrophobicContact CB-CG2 3.99Å; P179-K245 HydrophobicContact CB-CG 4.28Å; P179-K245 HydrophobicContact CG-CG 4.11Å; P179-L248 HydrophobicContact CB-CD2 4.29Å
180	T	96	Very high	95.2	Very high	25 Å²	25	27.8 Å²	27.8	15%	0.153	16%	0.162	C	C	.	.	H	α-helix	trans	-68.7	-41.9	176.4	-38.1	0	0	0	0	110.6	L94 R140 D178 L183 F184 T244	L94-T180 HydrophobicContact CD1-CG2 3.97Å; R140-T180 HydrophobicContact CG-CG2 3.88Å; D178-T180 PolarHBondContact O-N 3.3Å; D178-T180 VanDerWaalsContact O-N 3.14Å; D178-T180 WeakPolarHBondContact OD1-CA 3.05Å; D178-T180 WeakPolarHBondContact OD1-CB 3.49Å; D178-T180 PolarHBondContact OD1-N 3.31Å; D178-T180 PolarHBondContact OD1-OG1 3.46Å; T180-L183 PolarHBondContact O-N 3.28Å; T180-F184 HydrophobicContact CG2-CD2 3.87Å; T180-F184 HydrophobicContact CG2-CE2 3.76Å; T180-F184 VanDerWaalsContact O-CD2 3.29Å; T180-F184 WeakPolarHBondContact O-CD2 3.18Å; T180-F184 PolarHBondContact O-N 3.26Å; T180-T244 WeakPolarHBondContact OG1-CG2 3.48Å
181	V	97.4	Very high	94.7	Very high	6 Å²	6	27.8 Å²	27.8	4%	0.036	16%	0.163	C	C	.	.	H	α-helix	trans	-63.8	-44.5	175.5	174.2	0	0	0	0	110.4	P136 H139 R140 C172 D178 L183 S185	P136-V181 HydrophobicContact CB-CG2 4.04Å; P136-V181 WeakPolarHBondContact O-CG2 3.23Å; H139-V181 HydrophobicContact CB-CG1 3.78Å; H139-V181 HydrophobicContact CB-CG2 3.87Å; R140-V181 HydrophobicContact CB-CG2 4.27Å; C172-V181 HydrophobicContact CB-CG1 3.88Å; D178-V181 HydrophobicContact CB-CB 4.22Å; D178-V181 HydrophobicContact CB-CG2 3.94Å; D178-V181 WeakPolarHBondContact O-CB 3.38Å; D178-V181 PolarHBondContact O-N 3.49Å; D178-V181 PolarHBondContact OD1-N 2.96Å; V181-L183 VanDerWaalsContact C-N 3.34Å; V181-L183 PolarHBondContact O-N 3.12Å; V181-S185 VanDerWaalsContact O-CB 3.28Å; V181-S185 WeakPolarHBondContact O-CB 3.14Å; V181-S185 PolarHBondContact O-N 3.02Å
182	C	98.3	Very high	94.2	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.007	15%	0.147	C	C	.	.	H	α-helix	trans	-57.9	-46.6	174.3	-67.2	0	0	0	0	111.6	C172 L173 D178 P179 S185 L186 F234 L248	C172-C182 PolarHBondContact O-SG 2.83Å; L173-C182 HydrophobicContact CD2-CB 4.42Å; L173-C182 WeakPolarHBondContact CD2-O 3.5Å; D178-C182 PolarHBondContact O-N 3.48Å; P179-C182 PolarHBondContact O-N 2.86Å; C182-S185 PolarHBondContact O-N 2.79Å; C182-L186 WeakPolarHBondContact O-CB 3.06Å; C182-L186 PolarHBondContact O-N 2.94Å; C182-F234 HydrophobicContact CB-CE2 4.46Å; C182-F234 HydrophobicContact CB-CZ 4.23Å; C182-L248 HydrophobicContact CB-CD1 3.98Å; C182-L248 HydrophobicContact CB-CD2 3.73Å
183	L	98.1	Very high	93.4	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-57.5	-55.9	179.4	170.8	62.6	0	0	0	111.3	P179 T180 V181 S185 L186 L187 Q247 L248 C251	P179-L183 WeakPolarHBondContact O-CB 3.28Å; P179-L183 PolarHBondContact O-N 3.14Å; T180-L183 PolarHBondContact O-N 3.28Å; V181-L183 VanDerWaalsContact C-N 3.34Å; V181-L183 PolarHBondContact O-N 3.12Å; L183-S185 VanDerWaalsContact C-N 3.3Å; L183-S185 PolarHBondContact O-N 3.1Å; L183-L186 WeakPolarHBondContact O-CB 3.14Å; L183-L186 PolarHBondContact O-N 2.89Å; L183-L187 HydrophobicContact CD1-CD1 4.28Å; L183-L187 HydrophobicContact CD1-CG 4.33Å; L183-L187 HydrophobicContact CG-CD1 4.43Å; L183-L187 WeakPolarHBondContact O-CG 3.49Å; L183-L187 PolarHBondContact O-N 2.96Å; L183-Q247 HydrophobicContact CD2-CB 3.79Å; L183-L248 HydrophobicContact CB-CB 4.41Å; L183-L248 HydrophobicContact CB-CD1 4.36Å; L183-C251 HydrophobicContact CD1-CB 3.96Å; L183-C251 VanDerWaalsContact CD1-SG 3.57Å
184	F	97.7	Very high	92.2	Very high	9 Å²	9	27.2 Å²	27.2	4%	0.039	16%	0.16	C	C	.	.	H	α-helix	trans	-70.4	-27.8	-176.7	-75.7	-77.3	0	0	0	113	P100 R140 C143 I144 T180 L187 A188 F431	P100-F184 HydrophobicContact CB-CE1 4.02Å; P100-F184 HydrophobicContact CB-CZ 3.77Å; P100-F184 HydrophobicContact CG-CE1 4.46Å; P100-F184 HydrophobicContact CG-CE2 4.41Å; P100-F184 HydrophobicContact CG-CZ 3.72Å; R140-F184 HydrophobicContact CG-CD2 3.47Å; R140-F184 VanDerWaalsContact CG-CD2 3.47Å; R140-F184 HydrophobicContact CG-CE2 3.92Å; R140-F184 HydrophobicContact CG-CG 4.16Å; C143-F184 HydrophobicContact CB-CB 3.8Å; I144-F184 HydrophobicContact CD1-CD1 3.77Å; I144-F184 HydrophobicContact CD1-CE1 3.66Å; I144-F184 HydrophobicContact CD1-CE2 4.48Å; I144-F184 HydrophobicContact CD1-CG 4.21Å; I144-F184 HydrophobicContact CD1-CZ 4.05Å; I144-F184 HydrophobicContact CG1-CB 4.28Å; I144-F184 HydrophobicContact CG1-CD1 3.28Å; I144-F184 HydrophobicContact CG1-CE1 3.64Å; I144-F184 HydrophobicContact CG1-CG 3.83Å; I144-F184 HydrophobicContact CG1-CZ 4.46Å; T180-F184 HydrophobicContact CG2-CD2 3.87Å; T180-F184 HydrophobicContact CG2-CE2 3.76Å; T180-F184 VanDerWaalsContact O-CD2 3.29Å; T180-F184 WeakPolarHBondContact O-CD2 3.18Å; T180-F184 PolarHBondContact O-N 3.26Å; F184-L187 HydrophobicContact CD1-CD1 4.09Å; F184-L187 HydrophobicContact CE1-CD1 4.36Å; F184-L187 PolarHBondContact O-N 3.23Å; F184-A188 PolarHBondContact O-N 3.16Å; F184-F431 HydrophobicContact CD1-CD1 4.4Å; F184-F431 HydrophobicContact CD1-CE1 4.17Å; F184-F431 HydrophobicContact CD1-CZ 4.44Å; F184-F431 HydrophobicContact CE1-CB 4.46Å; F184-F431 AromaticContact CE1-CD1 3.6Å; F184-F431 HydrophobicContact CE1-CD1 3.6Å; F184-F431 HydrophobicContact CE1-CD2 4.03Å; F184-F431 AromaticContact CE1-CE1 3.7Å; F184-F431 HydrophobicContact CE1-CE1 3.7Å; F184-F431 HydrophobicContact CE1-CE2 4.08Å; F184-F431 AromaticContact CE1-CG 3.76Å; F184-F431 HydrophobicContact CE1-CG 3.76Å; F184-F431 AromaticContact CE1-CZ 3.93Å; F184-F431 HydrophobicContact CE1-CZ 3.93Å; F184-F431 HydrophobicContact CZ-CB 4.49Å; F184-F431 HydrophobicContact CZ-CD1 4.4Å; F184-F431 HydrophobicContact CZ-CG 4.22Å
185	S	97.8	Very high	90.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64.4	-44.8	170.3	-177.1	0	0	0	0	111.8	L169 V181 C182 L183 L187 A188 L189	L169-S185 VanDerWaalsContact C-OG 3.24Å; L169-S185 WeakPolarHBondContact CA-OG 3.38Å; L169-S185 WeakPolarHBondContact CB-OG 3.49Å; L169-S185 PolarHBondContact O-OG 2.9Å; V181-S185 VanDerWaalsContact O-CB 3.28Å; V181-S185 WeakPolarHBondContact O-CB 3.14Å; V181-S185 PolarHBondContact O-N 3.02Å; C182-S185 PolarHBondContact O-N 2.79Å; L183-S185 VanDerWaalsContact C-N 3.3Å; L183-S185 PolarHBondContact O-N 3.1Å; S185-L187 VanDerWaalsContact C-N 3.35Å; S185-L187 PolarHBondContact O-N 3.19Å; S185-A188 PolarHBondContact O-N 2.85Å; S185-L189 WeakPolarHBondContact O-CG 3.49Å; S185-L189 PolarHBondContact O-N 2.87Å
186	L	97.7	Very high	88.5	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-57.5	-48.6	174.8	174.1	58	0	0	0	110.7	L173 C182 L183 A188 L189 E190 L231 C251 A252 A255 F260	L173-L186 HydrophobicContact CD2-CB 3.96Å; C182-L186 WeakPolarHBondContact O-CB 3.06Å; C182-L186 PolarHBondContact O-N 2.94Å; L183-L186 WeakPolarHBondContact O-CB 3.14Å; L183-L186 PolarHBondContact O-N 2.89Å; L186-A188 VanDerWaalsContact C-N 3.29Å; L186-A188 PolarHBondContact O-N 2.96Å; L186-L189 WeakPolarHBondContact O-CB 3.33Å; L186-L189 PolarHBondContact O-N 3.06Å; L186-L189 VanDerWaalsContact O-N 3.1Å; L186-E190 HydrophobicContact CD1-CG 4.2Å; L186-E190 HydrophobicContact CG-CG 4.41Å; L186-E190 WeakPolarHBondContact O-CG 3.23Å; L186-E190 PolarHBondContact O-N 3.46Å; L186-L231 HydrophobicContact CD1-CD1 4.13Å; L186-L231 HydrophobicContact CD1-CD2 3.79Å; L186-L231 HydrophobicContact CD2-CD2 4.22Å; L186-C251 HydrophobicContact CD2-CB 3.82Å; L186-A252 HydrophobicContact CD2-CB 4.15Å; L186-A255 HydrophobicContact CD1-CB 4.01Å; L186-F260 HydrophobicContact CD1-CE2 4.23Å
187	L	95.8	Very high	86.1	Confident	1 Å²	1	18.7 Å²	18.7	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-60.8	-37.7	179	-62.3	179	0	0	0	112.5	K147 L183 F184 S185 E190 S191 C251 D302 F431	K147-L187 HydrophobicContact CD-CB 4.11Å; L183-L187 HydrophobicContact CD1-CD1 4.28Å; L183-L187 HydrophobicContact CD1-CG 4.33Å; L183-L187 HydrophobicContact CG-CD1 4.43Å; L183-L187 WeakPolarHBondContact O-CG 3.49Å; L183-L187 PolarHBondContact O-N 2.96Å; F184-L187 HydrophobicContact CD1-CD1 4.09Å; F184-L187 HydrophobicContact CE1-CD1 4.36Å; F184-L187 PolarHBondContact O-N 3.23Å; S185-L187 VanDerWaalsContact C-N 3.35Å; S185-L187 PolarHBondContact O-N 3.19Å; L187-E190 PolarHBondContact O-N 2.79Å; L187-S191 PolarHBondContact O-N 3.01Å; L187-S191 PolarHBondContact O-OG 3.5Å; L187-C251 HydrophobicContact CD2-CB 4.41Å; L187-D302 HydrophobicContact CD1-CB 4.39Å; L187-D302 WeakPolarHBondContact CD1-OD1 3.42Å; L187-D302 HydrophobicContact CD2-CB 4.11Å; L187-D302 VanDerWaalsContact CD2-CG 3.46Å; L187-D302 VanDerWaalsContact CD2-OD2 3.29Å; L187-D302 WeakPolarHBondContact CD2-OD2 3.33Å; L187-F431 HydrophobicContact CD1-CD1 3.82Å; L187-F431 HydrophobicContact CD1-CE1 3.87Å
188	A	93.5	Very high	83.7	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.6	-40.9	174.4	0	0	0	0	0	112.2	I146 K147 L169 F184 S185 L186 S191 L192	I146-A188 HydrophobicContact CG2-CB 4.14Å; K147-A188 HydrophobicContact CB-CB 4.09Å; L169-A188 HydrophobicContact CD1-CB 3.86Å; L169-A188 HydrophobicContact CD2-CB 3.77Å; L169-A188 HydrophobicContact CG-CB 4.48Å; F184-A188 PolarHBondContact O-N 3.16Å; S185-A188 PolarHBondContact O-N 2.85Å; L186-A188 VanDerWaalsContact C-N 3.29Å; L186-A188 PolarHBondContact O-N 2.96Å; A188-S191 PolarHBondContact O-N 3.33Å; A188-L192 WeakPolarHBondContact O-CG 3.48Å; A188-L192 PolarHBondContact O-N 3.44Å
189	L	92.2	Very high	81	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64.9	-40.4	174.3	-71.2	165	0	0	0	111.8	L169 L170 L173 S185 L186 L192 A193 I219 F260	L169-L189 HydrophobicContact CB-CD1 4.16Å; L169-L189 HydrophobicContact CB-CD2 3.78Å; L169-L189 HydrophobicContact CB-CG 3.83Å; L169-L189 HydrophobicContact CD1-CD2 3.81Å; L169-L189 HydrophobicContact CD1-CG 3.93Å; L169-L189 HydrophobicContact CG-CD2 4.49Å; L170-L189 HydrophobicContact CD2-CD1 4.15Å; L173-L189 HydrophobicContact CD1-CD1 3.34Å; L173-L189 HydrophobicContact CG-CD1 4.09Å; S185-L189 WeakPolarHBondContact O-CG 3.49Å; S185-L189 PolarHBondContact O-N 2.87Å; L186-L189 WeakPolarHBondContact O-CB 3.33Å; L186-L189 PolarHBondContact O-N 3.06Å; L186-L189 VanDerWaalsContact O-N 3.1Å; L189-L192 HydrophobicContact CD2-CD1 4.49Å; L189-L192 PolarHBondContact O-N 3.09Å; L189-A193 VanDerWaalsContact O-CB 3.28Å; L189-A193 WeakPolarHBondContact O-CB 3.14Å; L189-A193 PolarHBondContact O-N 3.06Å; L189-I219 HydrophobicContact CB-CD1 4.42Å; L189-I219 HydrophobicContact CD2-CD1 3.6Å; L189-I219 HydrophobicContact CD2-CG1 3.95Å; L189-F260 HydrophobicContact CB-CE2 4.35Å; L189-F260 HydrophobicContact CB-CZ 4.05Å
190	E	89.5	Confident	78.3	Confident	12 Å²	12	20.1 Å²	20.1	6%	0.056	10%	0.103	C	C	.	.	H	α-helix	trans	-59.6	-45.9	174	-70.6	179.5	-158	0	0	111.3	L186 L187 A193 S194 A255 I259 F260 K291	L186-E190 HydrophobicContact CD1-CG 4.2Å; L186-E190 HydrophobicContact CG-CG 4.41Å; L186-E190 WeakPolarHBondContact O-CG 3.23Å; L186-E190 PolarHBondContact O-N 3.46Å; L187-E190 PolarHBondContact O-N 2.79Å; E190-A193 PolarHBondContact O-N 2.81Å; E190-S194 VanDerWaalsContact O-CB 3.32Å; E190-S194 WeakPolarHBondContact O-CB 3.2Å; E190-S194 PolarHBondContact O-N 2.91Å; E190-S194 PolarHBondContact O-OG 2.99Å; E190-A255 HydrophobicContact CG-CB 4.26Å; E190-I259 HydrophobicContact CB-CD1 3.78Å; E190-I259 HydrophobicContact CG-CD1 3.92Å; E190-F260 HydrophobicContact CG-CE2 4.19Å; E190-K291 IonicContact OE1-NZ 2.82Å; E190-K291 PolarHBondContact OE1-NZ 3.02Å; E190-K291 WeakPolarHBondContact OE2-CE 3.31Å; E190-K291 IonicContact OE2-NZ 2.65Å; E190-K291 PolarHBondContact OE2-NZ 3.15Å
191	S	85.1	Confident	75.9	Confident	13 Å²	13	20.9 Å²	20.9	9%	0.091	11%	0.107	C	C	.	.	H	α-helix	trans	-58.8	-52.2	174.3	-65.4	0	0	0	0	110.1	K147 L187 A188 A193 S194 F195	K147-S191 WeakPolarHBondContact CG-OG 3.34Å; L187-S191 PolarHBondContact O-N 3.01Å; L187-S191 PolarHBondContact O-OG 3.5Å; A188-S191 PolarHBondContact O-N 3.33Å; S191-A193 VanDerWaalsContact C-N 3.29Å; S191-A193 PolarHBondContact O-N 3.44Å; S191-S194 PolarHBondContact O-N 3.03Å; S191-F195 WeakPolarHBondContact O-CD2 2.97Å; S191-F195 WeakPolarHBondContact O-CE2 3.47Å
192	L	83.5	Confident	73.3	Confident	3 Å²	3	24.5 Å²	24.5	2%	0.016	13%	0.126	C	C	.	.	H	α-helix	trans	-53.7	-42.5	176.9	-78.7	169.1	0	0	0	113.5	C150 V160 V166 L169 A188 L189 T215	C150-L192 WeakPolarHBondContact SG-CD2 3.14Å; C150-L192 VanDerWaalsContact SG-CG 3.54Å; V160-L192 HydrophobicContact CB-CD2 3.98Å; V160-L192 HydrophobicContact CG1-CD2 3.97Å; V166-L192 HydrophobicContact CG2-CD1 4.37Å; L169-L192 HydrophobicContact CD1-CD1 3.48Å; L169-L192 VanDerWaalsContact CD1-CD1 3.48Å; A188-L192 WeakPolarHBondContact O-CG 3.48Å; A188-L192 PolarHBondContact O-N 3.44Å; L189-L192 HydrophobicContact CD2-CD1 4.49Å; L189-L192 PolarHBondContact O-N 3.09Å; L192-T215 HydrophobicContact CB-CG2 4.17Å
193	A	79.8	Confident	70.5	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.008	14%	0.135	C	C	.	.	H	α-helix	trans	-77.6	-32.5	-177.8	0	0	0	0	0	113.2	L189 E190 S191 F195 S196 R216 I259 F260	L189-A193 VanDerWaalsContact O-CB 3.28Å; L189-A193 WeakPolarHBondContact O-CB 3.14Å; L189-A193 PolarHBondContact O-N 3.06Å; E190-A193 PolarHBondContact O-N 2.81Å; S191-A193 VanDerWaalsContact C-N 3.29Å; S191-A193 PolarHBondContact O-N 3.44Å; A193-F195 PolarHBondContact O-N 3.16Å; A193-S196 WeakPolarHBondContact O-CB 3.13Å; A193-S196 PolarHBondContact O-N 3.26Å; A193-S196 PolarHBondContact O-OG 2.73Å; A193-R216 HydrophobicContact CB-CB 4.03Å; A193-R216 HydrophobicContact CB-CG 4.21Å; A193-I259 HydrophobicContact CB-CG2 3.55Å; A193-F260 HydrophobicContact CB-CE1 3.46Å; A193-F260 VanDerWaalsContact CB-CE1 3.46Å; A193-F260 HydrophobicContact CB-CZ 3.57Å
194	S	71.8	Confident	68	Low	44 Å²	44	29.4 Å²	29.4	31%	0.308	17%	0.165	S	C	.	.	H	α-helix	trans	-63.7	-28.5	180	-63.4	0	0	0	0	112.4	E190 S191 S196 I259	E190-S194 VanDerWaalsContact O-CB 3.32Å; E190-S194 WeakPolarHBondContact O-CB 3.2Å; E190-S194 PolarHBondContact O-N 2.91Å; E190-S194 PolarHBondContact O-OG 2.99Å; S191-S194 PolarHBondContact O-N 3.03Å; S194-S196 VanDerWaalsContact C-N 3.28Å; S194-S196 PolarHBondContact O-N 3.14Å; S194-I259 WeakPolarHBondContact OG-CD1 3.33Å
195	F	57.8	Low	65.4	Low	32 Å²	32	33.4 Å²	33.4	14%	0.14	19%	0.185	C	C	.	.	H	α-helix	trans	-71	-22.4	172.3	-58.4	-63.1	0	0	0	113.4	C150 A154 S191 A193 W197	C150-F195 HydrophobicContact CB-CD2 4.5Å; C150-F195 HydrophobicContact CB-CE2 3.8Å; C150-F195 WeakPolarHBondContact O-CE2 3.41Å; C150-F195 WeakPolarHBondContact O-CZ 3.49Å; A154-F195 HydrophobicContact CB-CD1 3.57Å; A154-F195 HydrophobicContact CB-CE1 3.43Å; A154-F195 VanDerWaalsContact CB-CE1 3.43Å; A154-F195 HydrophobicContact CB-CG 4.43Å; A154-F195 HydrophobicContact CB-CZ 4.21Å; S191-F195 WeakPolarHBondContact O-CD2 2.97Å; S191-F195 WeakPolarHBondContact O-CE2 3.47Å; A193-F195 PolarHBondContact O-N 3.16Å; F195-W197 VanDerWaalsContact C-N 3.32Å; F195-W197 PolarHBondContact O-N 2.79Å
196	S	47.3	Very low	62.6	Low	4 Å²	4	36.6 Å²	36.6	3%	0.028	21%	0.208	C	C	.	.	H	α-helix	trans	-66.9	-35.4	-178.8	98.8	0	0	0	0	111.9	A193 S194 F200 S212 R216	A193-S196 WeakPolarHBondContact O-CB 3.13Å; A193-S196 PolarHBondContact O-N 3.26Å; A193-S196 PolarHBondContact O-OG 2.73Å; S194-S196 VanDerWaalsContact C-N 3.28Å; S194-S196 PolarHBondContact O-N 3.14Å; S196-F200 WeakPolarHBondContact O-CB 3.48Å; S196-F200 PolarHBondContact O-N 2.54Å; S196-S212 WeakPolarHBondContact CA-O 3.5Å; S196-S212 WeakPolarHBondContact CB-O 3.3Å; S196-R216 WeakPolarHBondContact OG-CB 3.3Å; S196-R216 WeakPolarHBondContact OG-CD 3.35Å
197	W	41.9	Very low	59.9	Low	94 Å²	94	42.7 Å²	42.7	36%	0.356	25%	0.251	S	S	.	.	H	α-helix	trans	-75.2	-44.1	-166.1	-171.9	-105	0	0	0	113.2	F195 S199 F200 V201 Y471	F195-W197 VanDerWaalsContact C-N 3.32Å; F195-W197 PolarHBondContact O-N 2.79Å; W197-S199 VanDerWaalsContact C-N 3.32Å; W197-S199 PolarHBondContact O-N 3.47Å; W197-F200 HydrophobicContact CE3-CD1 4.47Å; W197-F200 HydrophobicContact CZ3-CD1 4.32Å; W197-F200 WeakPolarHBondContact O-CA 3.39Å; W197-F200 WeakPolarHBondContact O-CB 3.21Å; W197-F200 PolarHBondContact O-N 3.18Å; W197-F200 VanDerWaalsContact O-N 3.08Å; W197-V201 PolarHBondContact O-N 2.91Å; W197-Y471 HydrophobicContact CH2-CE2 4.38Å
198	F	43.7	Very low	57.1	Low	22 Å²	22	45.6 Å²	45.6	10%	0.096	28%	0.275	C	S	.	.	H	α-helix	trans	-63.9	-40.1	-177.7	-161.6	-101.1	0	0	0	112.1	V201 L202 I509 I515	F198-V201 PolarHBondContact O-N 2.76Å; F198-L202 HydrophobicContact CD1-CD1 3.72Å; F198-L202 HydrophobicContact CD1-CG 4.39Å; F198-L202 HydrophobicContact CE1-CD1 3.58Å; F198-L202 HydrophobicContact CE1-CG 4.28Å; F198-L202 WeakPolarHBondContact O-CG 3.45Å; F198-L202 PolarHBondContact O-N 3.17Å; F198-I509 HydrophobicContact CZ-CG1 4.43Å; F198-I509 HydrophobicContact CZ-CG2 4.22Å; F198-I515 HydrophobicContact CD1-CD1 4.23Å
199	S	40	Very low	54.2	Low	50 Å²	50	55.2 Å²	55.2	35%	0.35	32%	0.317	S	S	.	.	H	α-helix	trans	-72.4	-30.7	174.3	177.3	0	0	0	0	112.3	W197 L202 S203 S212	W197-S199 VanDerWaalsContact C-N 3.32Å; W197-S199 PolarHBondContact O-N 3.47Å; S199-L202 PolarHBondContact O-N 3.03Å; S199-S203 WeakPolarHBondContact O-CA 3.36Å; S199-S203 WeakPolarHBondContact O-CB 3.5Å; S199-S203 PolarHBondContact O-N 3.36Å; S199-S212 WeakPolarHBondContact CB-OG 3.47Å; S199-S212 PolarHBondContact OG-OG 3.17Å
200	F	40	Very low	51.8	Low	105 Å²	105	59.7 Å²	59.7	46%	0.461	34%	0.341	S	S	.	.	H	α-helix	trans	-63.6	-43.8	170.5	-177.6	-97.7	0	0	0	111.8	S196 W197 L202 S203 A204	S196-F200 WeakPolarHBondContact O-CB 3.48Å; S196-F200 PolarHBondContact O-N 2.54Å; W197-F200 HydrophobicContact CE3-CD1 4.47Å; W197-F200 HydrophobicContact CZ3-CD1 4.32Å; W197-F200 WeakPolarHBondContact O-CA 3.39Å; W197-F200 WeakPolarHBondContact O-CB 3.21Å; W197-F200 PolarHBondContact O-N 3.18Å; W197-F200 VanDerWaalsContact O-N 3.08Å; F200-L202 PolarHBondContact O-N 2.86Å; F200-S203 PolarHBondContact O-N 2.85Å; F200-A204 WeakPolarHBondContact O-CB 3.09Å; F200-A204 PolarHBondContact O-N 2.71Å
201	V	45.6	Very low	49.5	Very low	40 Å²	40	67 Å²	67	24%	0.242	37%	0.368	C	S	.	.	H	α-helix	trans	-62.6	-43.7	175.4	174.7	0	0	0	0	111.1	W197 F198 I205 W508	W197-V201 PolarHBondContact O-N 2.91Å; F198-V201 PolarHBondContact O-N 2.76Å; V201-I205 HydrophobicContact CG1-CD1 4.49Å; V201-I205 WeakPolarHBondContact O-CD1 3.33Å; V201-I205 WeakPolarHBondContact O-CG1 3.48Å; V201-W508 HydrophobicContact CG1-CH2 4.25Å
202	L	41.7	Very low	47.5	Very low	83 Å²	83	68 Å²	68	44%	0.435	38%	0.375	S	S	.	.	H	α-helix	trans	-68.9	-34.8	176.1	-68.8	174.5	0	0	0	113.1	F198 S199 F200 I205 S206	F198-L202 HydrophobicContact CD1-CD1 3.72Å; F198-L202 HydrophobicContact CD1-CG 4.39Å; F198-L202 HydrophobicContact CE1-CD1 3.58Å; F198-L202 HydrophobicContact CE1-CG 4.28Å; F198-L202 WeakPolarHBondContact O-CG 3.45Å; F198-L202 PolarHBondContact O-N 3.17Å; S199-L202 PolarHBondContact O-N 3.03Å; F200-L202 PolarHBondContact O-N 2.86Å; L202-I205 PolarHBondContact O-N 3.26Å; L202-S206 PolarHBondContact O-N 3.3Å
203	S	40	Very low	46.1	Very low	29 Å²	29	68.3 Å²	68.3	20%	0.203	38%	0.378	C	S	.	.	H	α-helix	trans	-80.2	-22.1	179.2	-177.8	0	0	0	0	113.3	S199 F200 S206 A208	S199-S203 WeakPolarHBondContact O-CA 3.36Å; S199-S203 WeakPolarHBondContact O-CB 3.5Å; S199-S203 PolarHBondContact O-N 3.36Å; F200-S203 PolarHBondContact O-N 2.85Å; S203-S206 CarbonylContact C-O 3.59Å; S203-S206 WeakPolarHBondContact CA-O 3.41Å; S203-S206 CarbonylContact O-C 3.55Å; S203-A208 PolarHBondContact OG-O 2.92Å
204	A	44.6	Very low	45.4	Very low	76 Å²	76	73 Å²	73	63%	0.628	40%	0.4	S	S	*	.	H	α-helix	trans	-70	-26.6	168	0	0	0	0	0	111	F200	F200-A204 WeakPolarHBondContact O-CB 3.09Å; F200-A204 PolarHBondContact O-N 2.71Å
205	I	43.4	Very low	45.7	Very low	92 Å²	92	71.2 Å²	71.2	47%	0.472	39%	0.387	S	S	.	.	H	α-helix	trans	-87.2	-35.7	178.9	-63	167	0	0	0	111.7	V201 L202	V201-I205 HydrophobicContact CG1-CD1 4.49Å; V201-I205 WeakPolarHBondContact O-CD1 3.33Å; V201-I205 WeakPolarHBondContact O-CG1 3.48Å; L202-I205 PolarHBondContact O-N 3.26Å
206	S	39.4	Very low	46.7	Very low	68 Å²	68	72.2 Å²	72.2	48%	0.476	39%	0.39	S	S	.	.	S	Bend	trans	-116.1	115	175.4	166.8	0	0	0	0	107.9	L202 S203 A208	L202-S206 PolarHBondContact O-N 3.3Å; S203-S206 CarbonylContact C-O 3.59Å; S203-S206 WeakPolarHBondContact CA-O 3.41Å; S203-S206 CarbonylContact O-C 3.55Å; S206-A208 PolarHBondContact O-N 3.48Å
207	S	41.2	Very low	48.3	Very low	128 Å²	128	75.3 Å²	75.3	90%	0.895	41%	0.409	S	S	*	.			trans	-61.5	42.4	-178.5	62.9	0	0	0	0	115.4
208	A	36.7	Very low	50.3	Low	62 Å²	62	74 Å²	74	51%	0.512	41%	0.409	S	S	.	.			trans	-117.4	89.3	-172.1	0	0	0	0	0	109.9	S203 S206	S203-A208 PolarHBondContact OG-O 2.92Å; S206-A208 PolarHBondContact O-N 3.48Å
209	F	33.3	Very low	52.5	Low	202 Å²	202	73 Å²	73	89%	0.886	40%	0.404	S	S	*	.			trans	34.6	97.1	150	-100.5	-98.6	0	0	0	119.8
210	N	41.4	Very low	54.8	Low	93 Å²	93	72 Å²	72	50%	0.497	40%	0.397	S	S	.	.				11	108.7	129.7	-82.7	-10.7	0	0	0	117.8
211	R	42.3	Very low	57.1	Low	167 Å²	167	71 Å²	71	63%	0.63	40%	0.397	S	S	*	.	S	Bend	trans	-151.1	-43	145.7	-115.2	-175.2	-72	-165.3	-3.6	113.3	E214 Y555	R211-E214 WeakPolarHBondContact O-CB 3.44Å; R211-E214 PolarHBondContact O-N 3.1Å; R211-Y555 PolarHBondContact NH2-OH 3.23Å
212	S	42.9	Very low	59.2	Low	33 Å²	33	71.7 Å²	71.7	23%	0.231	40%	0.397	C	S	.	.	H	α-helix	trans	-74.6	-30.3	180	55.9	0	0	0	0	113.2	S196 S199 E214	S196-S212 WeakPolarHBondContact CA-O 3.5Å; S196-S212 WeakPolarHBondContact CB-O 3.3Å; S199-S212 WeakPolarHBondContact CB-OG 3.47Å; S199-S212 PolarHBondContact OG-OG 3.17Å; S212-E214 PolarHBondContact O-N 2.97Å
213	G	53.3	Low	61.6	Low	9 Å²	9	68.1 Å²	68.1	9%	0.093	38%	0.378	C	S	.	.	H	α-helix	trans	-61.2	-23.5	171.5	0	0	0	0	0	113.9	V217	G213-V217 VanDerWaalsContact O-CG2 3.31Å; G213-V217 WeakPolarHBondContact O-CG2 3.45Å; G213-V217 PolarHBondContact O-N 3.02Å
214	E	65.5	Low	63.9	Low	100 Å²	100	70.7 Å²	70.7	47%	0.467	40%	0.401	S	S	.	.	H	α-helix	trans	-68.4	-37.8	-174.2	-62.5	178.5	163.5	0	0	112.2	R211 S212 V217 L218	R211-E214 WeakPolarHBondContact O-CB 3.44Å; R211-E214 PolarHBondContact O-N 3.1Å; S212-E214 PolarHBondContact O-N 2.97Å; E214-V217 PolarHBondContact O-N 3.02Å; E214-L218 WeakPolarHBondContact O-CB 3.28Å; E214-L218 PolarHBondContact O-N 3.37Å
215	T	77.3	Confident	66.1	Low	6 Å²	6	74.2 Å²	74.2	4%	0.037	40%	0.404	C	S	.	.	H	α-helix	trans	-66.1	-44.8	-176.8	-53.7	0	0	0	0	112.2	S161 V166 L192 V217 L218 I219	S161-T215 WeakPolarHBondContact CB-OG1 3.36Å; S161-T215 PolarHBondContact OG-OG1 3.02Å; V166-T215 HydrophobicContact CG2-CG2 3.81Å; L192-T215 HydrophobicContact CB-CG2 4.17Å; T215-V217 VanDerWaalsContact C-N 3.35Å; T215-V217 PolarHBondContact O-N 3.27Å; T215-L218 WeakPolarHBondContact O-CB 3.31Å; T215-L218 PolarHBondContact O-N 2.68Å; T215-I219 HydrophobicContact CG2-CD1 3.87Å; T215-I219 WeakPolarHBondContact O-CD1 3.08Å; T215-I219 WeakPolarHBondContact O-CG1 3.4Å; T215-I219 PolarHBondContact O-N 3.41Å
216	R	79.8	Confident	68.2	Low	54 Å²	54	73.8 Å²	73.8	20%	0.204	40%	0.4	C	S	.	.	H	α-helix	trans	-62.1	-45.3	175.3	177.1	-175.1	170.8	-82.4	-5.2	111	A193 S196 L218 I219 C220 I259	A193-R216 HydrophobicContact CB-CB 4.03Å; A193-R216 HydrophobicContact CB-CG 4.21Å; S196-R216 WeakPolarHBondContact OG-CB 3.3Å; S196-R216 WeakPolarHBondContact OG-CD 3.35Å; R216-L218 VanDerWaalsContact C-N 3.34Å; R216-I219 PolarHBondContact O-N 2.76Å; R216-C220 WeakPolarHBondContact O-CB 3.26Å; R216-C220 PolarHBondContact O-N 3.24Å; R216-C220 PolarHBondContact O-SG 3.14Å; R216-I259 PolarHBondContact NE-O 2.71Å; R216-I259 PolarHBondContact NH2-O 2.9Å
217	V	80.2	Confident	70.6	Confident	69 Å²	69	76.7 Å²	76.7	42%	0.418	42%	0.418	S	S	.	.	H	α-helix	trans	-62	-43.8	178.4	172.1	0	0	0	0	110.6	G213 E214 T215 I219 C220 N221	G213-V217 VanDerWaalsContact O-CG2 3.31Å; G213-V217 WeakPolarHBondContact O-CG2 3.45Å; G213-V217 PolarHBondContact O-N 3.02Å; E214-V217 PolarHBondContact O-N 3.02Å; T215-V217 VanDerWaalsContact C-N 3.35Å; T215-V217 PolarHBondContact O-N 3.27Å; V217-I219 PolarHBondContact O-N 3.16Å; V217-C220 PolarHBondContact O-N 2.79Å; V217-N221 WeakPolarHBondContact O-CB 3.42Å; V217-N221 PolarHBondContact O-N 3.15Å; V217-N221 PolarHBondContact O-OD1 2.81Å
218	L	84.8	Confident	72.9	Confident	67 Å²	67	74.1 Å²	74.1	35%	0.351	40%	0.396	S	S	.	.	H	α-helix	trans	-57.3	-47.1	175.1	177.5	67	0	0	0	111.5	V166 E214 T215 R216 N221 H222	V166-L218 HydrophobicContact CB-CD2 4.43Å; V166-L218 HydrophobicContact CG1-CD2 4.05Å; E214-L218 WeakPolarHBondContact O-CB 3.28Å; E214-L218 PolarHBondContact O-N 3.37Å; T215-L218 WeakPolarHBondContact O-CB 3.31Å; T215-L218 PolarHBondContact O-N 2.68Å; R216-L218 VanDerWaalsContact C-N 3.34Å; L218-N221 PolarHBondContact O-N 3.29Å; L218-H222 WeakPolarHBondContact O-CB 3.42Å; L218-H222 PolarHBondContact O-N 3.33Å
219	I	88.8	Confident	75.5	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-64.3	-45.2	177.8	-65.8	161.7	0	0	0	110.8	V166 L170 L189 T215 R216 V217 H222 F223 F260	V166-I219 HydrophobicContact CG1-CG1 3.83Å; L170-I219 HydrophobicContact CD2-CG2 4.43Å; L189-I219 HydrophobicContact CB-CD1 4.42Å; L189-I219 HydrophobicContact CD2-CD1 3.6Å; L189-I219 HydrophobicContact CD2-CG1 3.95Å; T215-I219 HydrophobicContact CG2-CD1 3.87Å; T215-I219 WeakPolarHBondContact O-CD1 3.08Å; T215-I219 WeakPolarHBondContact O-CG1 3.4Å; T215-I219 PolarHBondContact O-N 3.41Å; R216-I219 PolarHBondContact O-N 2.76Å; V217-I219 PolarHBondContact O-N 3.16Å; I219-H222 PolarHBondContact O-N 3.41Å; I219-F223 HydrophobicContact CG2-CD2 3.88Å; I219-F223 HydrophobicContact CG2-CE2 3.33Å; I219-F223 HydrophobicContact CG2-CZ 3.7Å; I219-F223 WeakPolarHBondContact O-CD2 3.24Å; I219-F223 WeakPolarHBondContact O-CG 3.49Å; I219-F223 PolarHBondContact O-N 2.83Å; I219-F260 HydrophobicContact CB-CD1 4.44Å; I219-F260 HydrophobicContact CB-CE1 3.93Å; I219-F260 HydrophobicContact CD1-CE1 4.07Å; I219-F260 HydrophobicContact CD1-CZ 4.27Å; I219-F260 HydrophobicContact CG2-CD1 3.77Å; I219-F260 HydrophobicContact CG2-CE1 3.4Å; I219-F260 VanDerWaalsContact CG2-CE1 3.4Å; I219-F260 HydrophobicContact CG2-CZ 3.9Å
220	C	87.9	Confident	78.4	Confident	29 Å²	29	63.4 Å²	63.4	20%	0.196	34%	0.341	C	S	.	.	H	α-helix	trans	-63.1	-43.5	178.2	-65	0	0	0	0	111.7	R216 V217 F223 A224	R216-C220 WeakPolarHBondContact O-CB 3.26Å; R216-C220 PolarHBondContact O-N 3.24Å; R216-C220 PolarHBondContact O-SG 3.14Å; V217-C220 PolarHBondContact O-N 2.79Å; C220-F223 PolarHBondContact O-N 3.45Å; C220-A224 WeakPolarHBondContact O-CB 3.33Å; C220-A224 PolarHBondContact O-N 3.02Å
221	N	88.4	Confident	81	Confident	85 Å²	85	59 Å²	59	46%	0.455	32%	0.317	S	S	.	.	H	α-helix	trans	-61.9	-44.5	176	-71.4	-6.8	0	0	0	110.7	V217 L218 F223 A224 E225	V217-N221 WeakPolarHBondContact O-CB 3.42Å; V217-N221 PolarHBondContact O-N 3.15Å; V217-N221 PolarHBondContact O-OD1 2.81Å; L218-N221 PolarHBondContact O-N 3.29Å; N221-F223 VanDerWaalsContact C-N 3.31Å; N221-F223 PolarHBondContact O-N 2.86Å; N221-A224 PolarHBondContact O-N 2.93Å; N221-A224 VanDerWaalsContact O-N 3.1Å; N221-E225 WeakPolarHBondContact O-CG 3.43Å; N221-E225 PolarHBondContact O-N 3.02Å
222	H	90.5	Very high	83.5	Confident	54 Å²	54	52.9 Å²	52.9	25%	0.25	30%	0.298	C	S	.	.	H	α-helix	trans	-58.6	-43.9	175.3	-175.8	87.1	0	0	0	111.8	L170 L218 I219 A224 E225 Q226	L170-H222 HydrophobicContact CD1-CB 3.99Å; L218-H222 WeakPolarHBondContact O-CB 3.42Å; L218-H222 PolarHBondContact O-N 3.33Å; I219-H222 PolarHBondContact O-N 3.41Å; H222-A224 VanDerWaalsContact C-N 3.32Å; H222-A224 PolarHBondContact O-N 3.35Å; H222-E225 PolarHBondContact O-N 3.31Å; H222-Q226 WeakPolarHBondContact O-CG 3.25Å; H222-Q226 PolarHBondContact O-N 2.63Å
223	F	92	Very high	86	Confident	7 Å²	7	53.8 Å²	53.8	3%	0.031	30%	0.3	C	S	.	.	H	α-helix	trans	-64.6	-34.7	175.6	-67.3	-32	0	0	0	113.2	L170 L173 I219 C220 N221 P230 L231 F260	L170-F223 HydrophobicContact CD2-CD1 4.4Å; L170-F223 HydrophobicContact CD2-CE1 3.68Å; L170-F223 HydrophobicContact CD2-CZ 4.08Å; L173-F223 HydrophobicContact CD1-CE1 3.97Å; L173-F223 HydrophobicContact CD1-CZ 3.89Å; I219-F223 HydrophobicContact CG2-CD2 3.88Å; I219-F223 HydrophobicContact CG2-CE2 3.33Å; I219-F223 HydrophobicContact CG2-CZ 3.7Å; I219-F223 WeakPolarHBondContact O-CD2 3.24Å; I219-F223 WeakPolarHBondContact O-CG 3.49Å; I219-F223 PolarHBondContact O-N 2.83Å; C220-F223 PolarHBondContact O-N 3.45Å; N221-F223 VanDerWaalsContact C-N 3.31Å; N221-F223 PolarHBondContact O-N 2.86Å; F223-P230 HydrophobicContact CD1-CG 4.01Å; F223-P230 HydrophobicContact CE1-CG 3.94Å; F223-L231 HydrophobicContact CD2-CD1 4.42Å; F223-L231 HydrophobicContact CE2-CD1 3.76Å; F223-L231 HydrophobicContact CE2-CG 4.3Å; F223-L231 HydrophobicContact CZ-CD1 4.05Å; F223-L231 HydrophobicContact CZ-CG 4.2Å; F223-F260 HydrophobicContact CD2-CB 4.29Å; F223-F260 HydrophobicContact CD2-CG 4.41Å; F223-F260 HydrophobicContact CE2-CB 4.16Å; F223-F260 HydrophobicContact CE2-CD1 4.2Å; F223-F260 HydrophobicContact CE2-CD2 4.06Å; F223-F260 AromaticContact CE2-CG 3.88Å; F223-F260 HydrophobicContact CE2-CG 3.88Å
224	A	88.7	Confident	88.1	Confident	83 Å²	83	53.5 Å²	53.5	69%	0.686	30%	0.297	S	S	*	.	H	α-helix	trans	-73.1	-27.6	176.7	0	0	0	0	0	113.2	C220 N221 H222	C220-A224 WeakPolarHBondContact O-CB 3.33Å; C220-A224 PolarHBondContact O-N 3.02Å; N221-A224 PolarHBondContact O-N 2.93Å; N221-A224 VanDerWaalsContact O-N 3.1Å; H222-A224 VanDerWaalsContact C-N 3.32Å; H222-A224 PolarHBondContact O-N 3.35Å
225	E	90.2	Very high	89.6	Confident	151 Å²	151	50 Å²	50	71%	0.706	28%	0.28	S	S	*	.	H	α-helix	trans	-76.6	-20.9	176.1	-74.3	172.7	-175.2	0	0	113.2	N221 H222	N221-E225 WeakPolarHBondContact O-CG 3.43Å; N221-E225 PolarHBondContact O-N 3.02Å; H222-E225 PolarHBondContact O-N 3.31Å
226	Q	88.9	Confident	90.5	Very high	83 Å²	83	58.6 Å²	58.6	39%	0.388	31%	0.312	S	S	.	.	S	Bend	trans	-74.1	146.1	176.1	-64	-55.6	-59.8	0	0	111	H222 T228	H222-Q226 WeakPolarHBondContact O-CG 3.25Å; H222-Q226 PolarHBondContact O-N 2.63Å; Q226-T228 PolarHBondContact O-N 3.3Å
227	P	88.5	Confident	91.3	Very high	129 Å²	129	58.5 Å²	58.5	84%	0.838	32%	0.315	S	S	*	.	S	Bend	trans	-55	-28.3	175.8	-25.5	33.4	0	0	0	113.7
228	T	89.1	Confident	92	Very high	73 Å²	73	56.3 Å²	56.3	45%	0.448	30%	0.3	S	S	.	.	S	Bend	trans	-147.9	129.8	172.6	-55.3	0	0	0	0	107.9	Q226 P230	Q226-T228 PolarHBondContact O-N 3.3Å; T228-P230 WeakPolarHBondContact O-CD 3.19Å; T228-P230 VanDerWaalsContact O-N 3.15Å
229	N	92	Very high	92.5	Very high	22 Å²	22	58.2 Å²	58.2	12%	0.118	31%	0.306	C	S	.	.			trans	-57.2	119.4	172.5	179.5	-21.3	0	0	0	108.8	L231 V232	N229-L231 PolarHBondContact O-N 3.16Å; N229-L231 VanDerWaalsContact O-N 3.14Å; N229-L231 WeakPolarHBondContact OD1-CB 3.35Å; N229-L231 WeakPolarHBondContact OD1-CG 3.37Å; N229-L231 PolarHBondContact OD1-N 2.83Å; N229-V232 HydrophobicContact CB-CB 4.49Å; N229-V232 HydrophobicContact CB-CG2 3.95Å; N229-V232 WeakPolarHBondContact O-CB 3.23Å; N229-V232 PolarHBondContact O-N 3.16Å
230	P	94.3	Very high	92.9	Very high	17 Å²	17	60.6 Å²	60.6	11%	0.11	32%	0.319	C	S	.	.	H	α-helix	trans	-59	-30.1	-176.4	23.2	-33.8	0	0	0	112.6	F223 T228 V232 N233 F234	F223-P230 HydrophobicContact CD1-CG 4.01Å; F223-P230 HydrophobicContact CE1-CG 3.94Å; T228-P230 WeakPolarHBondContact O-CD 3.19Å; T228-P230 VanDerWaalsContact O-N 3.15Å; P230-V232 VanDerWaalsContact C-N 3.28Å; P230-V232 PolarHBondContact O-N 3.39Å; P230-N233 WeakPolarHBondContact O-CB 3.35Å; P230-N233 PolarHBondContact O-N 2.93Å; P230-N233 VanDerWaalsContact O-N 3.09Å; P230-F234 HydrophobicContact CB-CE2 4.05Å; P230-F234 VanDerWaalsContact O-CD2 3.27Å; P230-F234 WeakPolarHBondContact O-CD2 3.11Å; P230-F234 WeakPolarHBondContact O-CG 3.42Å; P230-F234 PolarHBondContact O-N 2.95Å
231	L	96.2	Very high	93.3	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-64.8	-32	177.6	-53.1	-172.8	0	0	0	112.3	L173 L186 F223 N229 N233 F234 E235 A252 A255 L256 F260	L173-L231 HydrophobicContact CD1-CD2 4.35Å; L186-L231 HydrophobicContact CD1-CD1 4.13Å; L186-L231 HydrophobicContact CD1-CD2 3.79Å; L186-L231 HydrophobicContact CD2-CD2 4.22Å; F223-L231 HydrophobicContact CD2-CD1 4.42Å; F223-L231 HydrophobicContact CE2-CD1 3.76Å; F223-L231 HydrophobicContact CE2-CG 4.3Å; F223-L231 HydrophobicContact CZ-CD1 4.05Å; F223-L231 HydrophobicContact CZ-CG 4.2Å; N229-L231 PolarHBondContact O-N 3.16Å; N229-L231 VanDerWaalsContact O-N 3.14Å; N229-L231 WeakPolarHBondContact OD1-CB 3.35Å; N229-L231 WeakPolarHBondContact OD1-CG 3.37Å; N229-L231 PolarHBondContact OD1-N 2.83Å; L231-N233 VanDerWaalsContact C-N 3.26Å; L231-N233 PolarHBondContact O-N 3.48Å; L231-F234 HydrophobicContact CD2-CD2 4.12Å; L231-F234 PolarHBondContact O-N 2.75Å; L231-E235 PolarHBondContact O-N 3.02Å; L231-A252 HydrophobicContact CB-CB 4.34Å; L231-A252 HydrophobicContact CD2-CB 4.47Å; L231-A255 HydrophobicContact CD1-CB 4.4Å; L231-L256 HydrophobicContact CB-CD1 3.97Å; L231-L256 HydrophobicContact CB-CD2 3.97Å; L231-L256 HydrophobicContact CB-CG 3.83Å; L231-L256 HydrophobicContact CD1-CD2 4.44Å; L231-L256 HydrophobicContact CD1-CG 4.47Å; L231-F260 HydrophobicContact CD1-CB 4.3Å; L231-F260 HydrophobicContact CD1-CD2 3.94Å; L231-F260 HydrophobicContact CD1-CG 4.49Å
232	V	94.9	Very high	93.8	Very high	39 Å²	39	67.2 Å²	67.2	24%	0.236	35%	0.346	C	S	.	.	H	α-helix	trans	-69.4	-27.1	175.6	175.6	0	0	0	0	111.4	N229 P230 E235 L256	N229-V232 HydrophobicContact CB-CB 4.49Å; N229-V232 HydrophobicContact CB-CG2 3.95Å; N229-V232 WeakPolarHBondContact O-CB 3.23Å; N229-V232 PolarHBondContact O-N 3.16Å; P230-V232 VanDerWaalsContact C-N 3.28Å; P230-V232 PolarHBondContact O-N 3.39Å; V232-E235 WeakPolarHBondContact O-CG 3.27Å; V232-L256 HydrophobicContact CG2-CD1 4Å; V232-L256 HydrophobicContact CG2-CD2 4.19Å
233	N	94.2	Very high	94.1	Very high	52 Å²	52	66 Å²	66	28%	0.278	34%	0.341	S	S	.	.	H	α-helix	trans	-76.4	-41.6	171	-67.4	-35.1	0	0	0	111	P230 L231	P230-N233 WeakPolarHBondContact O-CB 3.35Å; P230-N233 PolarHBondContact O-N 2.93Å; P230-N233 VanDerWaalsContact O-N 3.09Å; L231-N233 VanDerWaalsContact C-N 3.26Å; L231-N233 PolarHBondContact O-N 3.48Å
234	F	97.7	Very high	94.3	Very high	4 Å²	4	67.9 Å²	67.9	2%	0.018	35%	0.353	C	S	.	.	H	α-helix	trans	-68.2	-39	-179.8	-64.8	-35.8	0	0	0	113.4	L173 P175 C182 P230 L231 R236 M237 L248 G249 A252	L173-F234 HydrophobicContact CD2-CE2 4.3Å; L173-F234 WeakPolarHBondContact O-CE2 3.45Å; L173-F234 VanDerWaalsContact O-CZ 3.23Å; L173-F234 WeakPolarHBondContact O-CZ 3.47Å; P175-F234 HydrophobicContact CB-CE1 4.2Å; P175-F234 HydrophobicContact CG-CE1 4.29Å; P175-F234 HydrophobicContact CG-CZ 4.28Å; C182-F234 HydrophobicContact CB-CE2 4.46Å; C182-F234 HydrophobicContact CB-CZ 4.23Å; P230-F234 HydrophobicContact CB-CE2 4.05Å; P230-F234 VanDerWaalsContact O-CD2 3.27Å; P230-F234 WeakPolarHBondContact O-CD2 3.11Å; P230-F234 WeakPolarHBondContact O-CG 3.42Å; P230-F234 PolarHBondContact O-N 2.95Å; L231-F234 HydrophobicContact CD2-CD2 4.12Å; L231-F234 PolarHBondContact O-N 2.75Å; F234-R236 PolarHBondContact O-N 3.4Å; F234-M237 HydrophobicContact CD1-CE 4.33Å; F234-M237 HydrophobicContact CD1-SD 4.37Å; F234-M237 VanDerWaalsContact O-CB 3.25Å; F234-M237 WeakPolarHBondContact O-CB 3.38Å; F234-M237 WeakPolarHBondContact O-CG 3.39Å; F234-M237 PolarHBondContact O-N 2.93Å; F234-L248 HydrophobicContact CB-CD1 4.39Å; F234-L248 HydrophobicContact CB-CD2 4.46Å; F234-L248 HydrophobicContact CB-CG 4.07Å; F234-L248 HydrophobicContact CD1-CD2 3.64Å; F234-L248 HydrophobicContact CD1-CG 4.18Å; F234-L248 HydrophobicContact CD2-CD1 4.07Å; F234-L248 HydrophobicContact CD2-CD2 4.4Å; F234-L248 HydrophobicContact CD2-CG 4.4Å; F234-L248 HydrophobicContact CE1-CD2 3.89Å; F234-L248 HydrophobicContact CG-CD1 4.15Å; F234-L248 HydrophobicContact CG-CD2 3.93Å; F234-L248 HydrophobicContact CG-CG 3.98Å; F234-L248 HydrophobicContact CZ-CD2 4.38Å; F234-G249 WeakPolarHBondContact O-CA 3.44Å; F234-A252 HydrophobicContact CB-CB 3.57Å
235	E	96.8	Very high	94.8	Very high	25 Å²	25	67.3 Å²	67.3	12%	0.117	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-57.9	-26.6	-177.6	67.9	172.7	161.6	0	0	113.5	L231 V232 M237 N238 A252 Q253 L256 R265	L231-E235 PolarHBondContact O-N 3.02Å; V232-E235 WeakPolarHBondContact O-CG 3.27Å; E235-M237 PolarHBondContact O-N 3.43Å; E235-M237 VanDerWaalsContact O-N 3.14Å; E235-N238 VanDerWaalsContact O-CB 3.31Å; E235-N238 WeakPolarHBondContact O-CB 3.44Å; E235-N238 VanDerWaalsContact O-CG 3.29Å; E235-N238 PolarHBondContact O-N 3.09Å; E235-N238 VanDerWaalsContact O-N 3.07Å; E235-N238 PolarHBondContact O-OD1 2.65Å; E235-A252 HydrophobicContact CB-CB 4.48Å; E235-Q253 HydrophobicContact CB-CB 3.92Å; E235-L256 HydrophobicContact CB-CD1 4.21Å; E235-L256 HydrophobicContact CG-CD1 4.17Å; E235-R265 VanDerWaalsContact CD-NH1 3.28Å; E235-R265 IonicContact OE1-CZ 3.54Å; E235-R265 IonicContact OE1-NH1 3.38Å; E235-R265 PolarHBondContact OE1-NH1 3.47Å; E235-R265 IonicContact OE2-CZ 3.51Å; E235-R265 IonicContact OE2-NH1 3.46Å; E235-R265 PolarHBondContact OE2-NH1 2.9Å; E235-R265 IonicContact OE2-NH2 2.72Å; E235-R265 PolarHBondContact OE2-NH2 3.01Å
236	R	95.8	Very high	95.2	Very high	188 Å²	188	61.2 Å²	61.2	71%	0.709	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-63.2	-18.3	175.9	-59.7	177	-175.4	-176.1	-0.5	112.8	F234	F234-R236 PolarHBondContact O-N 3.4Å
237	M	97.1	Very high	95.6	Very high	52 Å²	52	58.5 Å²	58.5	26%	0.256	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-87.3	0.5	178.3	-54.5	175.6	-176.9	0	0	112.7	F234 E235 K239 D240 K245 R246	F234-M237 HydrophobicContact CD1-CE 4.33Å; F234-M237 HydrophobicContact CD1-SD 4.37Å; F234-M237 VanDerWaalsContact O-CB 3.25Å; F234-M237 WeakPolarHBondContact O-CB 3.38Å; F234-M237 WeakPolarHBondContact O-CG 3.39Å; F234-M237 PolarHBondContact O-N 2.93Å; E235-M237 PolarHBondContact O-N 3.43Å; E235-M237 VanDerWaalsContact O-N 3.14Å; M237-K239 PolarHBondContact O-N 3.39Å; M237-D240 HydrophobicContact CB-CB 4.19Å; M237-D240 WeakPolarHBondContact O-CB 3.42Å; M237-D240 PolarHBondContact O-N 2.82Å; M237-K245 HydrophobicContact CB-CB 4.1Å; M237-K245 WeakPolarHBondContact CB-O 3.5Å; M237-K245 HydrophobicContact CG-CB 4.44Å; M237-K245 HydrophobicContact SD-CB 4Å; M237-K245 HydrophobicContact SD-CD 4.25Å; M237-K245 HydrophobicContact SD-CG 4.22Å; M237-R246 VanDerWaalsContact O-CA 3.28Å; M237-R246 WeakPolarHBondContact O-CA 3.12Å
238	N	96.2	Very high	96.1	Very high	22 Å²	22	52.4 Å²	52.4	12%	0.118	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-16.8	-175.2	71.7	-10.6	0	0	0	114.8	E235 R246 Q253	E235-N238 VanDerWaalsContact O-CB 3.31Å; E235-N238 WeakPolarHBondContact O-CB 3.44Å; E235-N238 VanDerWaalsContact O-CG 3.29Å; E235-N238 PolarHBondContact O-N 3.09Å; E235-N238 VanDerWaalsContact O-N 3.07Å; E235-N238 PolarHBondContact O-OD1 2.65Å; N238-R246 WeakPolarHBondContact O-CG 3.02Å; N238-Q253 PolarHBondContact ND2-NE2 3.4Å; N238-Q253 VanDerWaalsContact ND2-NE2 3.17Å; N238-Q253 PolarHBondContact ND2-OE1 2.88Å; N238-Q253 VanDerWaalsContact ND2-OE1 3.09Å
239	K	94.8	Very high	96.6	Very high	108 Å²	108	49 Å²	49	47%	0.47	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	16.2	177.1	-69.2	168	178.4	165.7	0	112.1	M237 E272	M237-K239 PolarHBondContact O-N 3.39Å; K239-E272 IonicContact NZ-OE1 2.83Å; K239-E272 PolarHBondContact NZ-OE1 3.44Å; K239-E272 IonicContact NZ-OE2 3.65Å; K239-E272 PolarHBondContact NZ-OE2 2.98Å
240	D	97.5	Very high	96.9	Very high	50 Å²	50	48.2 Å²	48.2	27%	0.267	23%	0.228	S	C	.	.			trans	-62	151.3	179.5	-158.2	-57.9	0	0	0	111.7	M237 D242 K245	M237-D240 HydrophobicContact CB-CB 4.19Å; M237-D240 WeakPolarHBondContact O-CB 3.42Å; M237-D240 PolarHBondContact O-N 2.82Å; D240-D242 WeakPolarHBondContact OD1-CB 3.42Å; D240-D242 PolarHBondContact OD1-N 3.46Å; D240-K245 HydrophobicContact CB-CB 4.09Å
241	E	96.4	Very high	97.1	Very high	189 Å²	189	47.4 Å²	47.4	88%	0.883	22%	0.223	S	C	*	.	S	Bend	trans	-73.4	-32.7	175.5	-66.5	-173.7	169.1	0	0	111.4	L243	E241-L243 PolarHBondContact O-N 3.31Å; E241-L243 VanDerWaalsContact O-N 3.14Å
242	D	97.6	Very high	97.2	Very high	63 Å²	63	47.4 Å²	47.4	34%	0.337	22%	0.223	S	C	.	.	S	Bend	trans	-70.5	106.6	169	-177.6	-29.9	0	0	0	108.9	D240 T244 K245 R246	D240-D242 WeakPolarHBondContact OD1-CB 3.42Å; D240-D242 PolarHBondContact OD1-N 3.46Å; D242-T244 PolarHBondContact O-N 3.15Å; D242-T244 VanDerWaalsContact O-N 3.13Å; D242-T244 WeakPolarHBondContact OD1-CA 3.35Å; D242-T244 VanDerWaalsContact OD1-CB 3.29Å; D242-T244 WeakPolarHBondContact OD1-CB 3.41Å; D242-T244 PolarHBondContact OD1-N 2.83Å; D242-T244 PolarHBondContact OD1-OG1 2.67Å; D242-K245 HydrophobicContact CB-CB 4.14Å; D242-K245 HydrophobicContact CB-CD 3.95Å; D242-K245 HydrophobicContact CB-CG 4.01Å; D242-K245 WeakPolarHBondContact O-CB 3.46Å; D242-K245 PolarHBondContact O-N 3.47Å; D242-K245 PolarHBondContact OD1-N 2.97Å; D242-K245 WeakPolarHBondContact OD2-CE 3.4Å; D242-R246 PolarHBondContact O-N 3.3Å
243	L	97.9	Very high	97.3	Very high	29 Å²	29	46.7 Å²	46.7	15%	0.152	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-20.1	-175.9	-62.1	177.2	0	0	0	113.5	E241 Q247 V327 A383	E241-L243 PolarHBondContact O-N 3.31Å; E241-L243 VanDerWaalsContact O-N 3.14Å; L243-Q247 VanDerWaalsContact O-CG 3.25Å; L243-Q247 WeakPolarHBondContact O-CG 3.34Å; L243-Q247 PolarHBondContact O-N 3.05Å; L243-Q247 PolarHBondContact O-NE2 3.25Å; L243-V327 HydrophobicContact CB-CG1 4.3Å; L243-V327 HydrophobicContact CD2-CG1 4.36Å; L243-A383 HydrophobicContact CD1-CB 3.68Å
244	T	96.2	Very high	97.3	Very high	46 Å²	46	45.9 Å²	45.9	28%	0.282	21%	0.21	S	C	.	.	H	α-helix	trans	-74.2	-44.2	172.9	-48.4	0	0	0	0	110.3	P179 T180 D242 R246 Q247 L248	P179-T244 HydrophobicContact CB-CG2 3.99Å; T180-T244 WeakPolarHBondContact OG1-CG2 3.48Å; D242-T244 PolarHBondContact O-N 3.15Å; D242-T244 VanDerWaalsContact O-N 3.13Å; D242-T244 WeakPolarHBondContact OD1-CA 3.35Å; D242-T244 VanDerWaalsContact OD1-CB 3.29Å; D242-T244 WeakPolarHBondContact OD1-CB 3.41Å; D242-T244 PolarHBondContact OD1-N 2.83Å; D242-T244 PolarHBondContact OD1-OG1 2.67Å; T244-R246 VanDerWaalsContact C-N 3.31Å; T244-R246 PolarHBondContact O-N 2.98Å; T244-Q247 PolarHBondContact O-N 3.26Å; T244-L248 PolarHBondContact O-N 3.13Å
245	K	98.1	Very high	97.1	Very high	72 Å²	72	45.7 Å²	45.7	31%	0.313	21%	0.209	S	C	.	.	H	α-helix	trans	-65.9	-36.1	173.7	-63.3	-178	-166.8	164.5	0	111.7	P179 M237 D240 D242 Q247 L248 G249	P179-K245 HydrophobicContact CB-CG 4.28Å; P179-K245 HydrophobicContact CG-CG 4.11Å; M237-K245 HydrophobicContact CB-CB 4.1Å; M237-K245 WeakPolarHBondContact CB-O 3.5Å; M237-K245 HydrophobicContact CG-CB 4.44Å; M237-K245 HydrophobicContact SD-CB 4Å; M237-K245 HydrophobicContact SD-CD 4.25Å; M237-K245 HydrophobicContact SD-CG 4.22Å; D240-K245 HydrophobicContact CB-CB 4.09Å; D242-K245 HydrophobicContact CB-CB 4.14Å; D242-K245 HydrophobicContact CB-CD 3.95Å; D242-K245 HydrophobicContact CB-CG 4.01Å; D242-K245 WeakPolarHBondContact O-CB 3.46Å; D242-K245 PolarHBondContact O-N 3.47Å; D242-K245 PolarHBondContact OD1-N 2.97Å; D242-K245 WeakPolarHBondContact OD2-CE 3.4Å; K245-Q247 PolarHBondContact O-N 3.35Å; K245-L248 PolarHBondContact O-N 3.34Å; K245-G249 PolarHBondContact O-N 3.44Å
246	R	98.5	Very high	97	Very high	22 Å²	22	44.5 Å²	44.5	8%	0.083	20%	0.204	C	C	.	.	H	α-helix	trans	-55.6	-48.1	172.6	-165.8	-170.8	-177.6	93.8	9.4	112.3	M237 N238 D242 T244 G249 F250 E298 R435	M237-R246 VanDerWaalsContact O-CA 3.28Å; M237-R246 WeakPolarHBondContact O-CA 3.12Å; N238-R246 WeakPolarHBondContact O-CG 3.02Å; D242-R246 PolarHBondContact O-N 3.3Å; T244-R246 VanDerWaalsContact C-N 3.31Å; T244-R246 PolarHBondContact O-N 2.98Å; R246-G249 PolarHBondContact O-N 3.3Å; R246-F250 VanDerWaalsContact O-CB 3.28Å; R246-F250 WeakPolarHBondContact O-CB 3.46Å; R246-F250 PolarHBondContact O-N 3.48Å; R246-E298 IonicContact CZ-OE1 2.9Å; R246-E298 IonicContact CZ-OE2 2.97Å; R246-E298 IonicContact NE-OE1 2.98Å; R246-E298 PolarHBondContact NE-OE1 3.46Å; R246-E298 IonicContact NE-OE2 3.37Å; R246-E298 PolarHBondContact NE-OE2 2.83Å; R246-E298 IonicContact NH2-OE1 3.91Å; R246-E298 IonicContact NH2-OE2 2.67Å; R246-E298 PolarHBondContact NH2-OE2 2.65Å; R246-R435 VanDerWaalsContact NH2-CD 3.3Å
247	Q	98.4	Very high	96.7	Very high	26 Å²	26	36 Å²	36	12%	0.121	17%	0.173	C	C	.	.	H	α-helix	trans	-60.3	-45.8	176.2	-69.3	169.4	73.8	0	0	112	L183 L243 T244 K245 F250 C251 R300 V327 T328 Q433	L183-Q247 HydrophobicContact CD2-CB 3.79Å; L243-Q247 VanDerWaalsContact O-CG 3.25Å; L243-Q247 WeakPolarHBondContact O-CG 3.34Å; L243-Q247 PolarHBondContact O-N 3.05Å; L243-Q247 PolarHBondContact O-NE2 3.25Å; T244-Q247 PolarHBondContact O-N 3.26Å; K245-Q247 PolarHBondContact O-N 3.35Å; Q247-F250 PolarHBondContact O-N 3.47Å; Q247-C251 PolarHBondContact O-N 2.87Å; Q247-C251 PolarHBondContact O-SG 3.21Å; Q247-R300 VanDerWaalsContact OE1-NH1 3.07Å; Q247-V327 HydrophobicContact CG-CG1 3.74Å; Q247-T328 HydrophobicContact CG-CG2 4.12Å; Q247-Q433 VanDerWaalsContact CG-OE1 3.27Å
248	L	98.5	Very high	96.1	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-61.1	-47.6	177.2	173.9	58.3	0	0	0	111.5	P179 C182 L183 F234 T244 K245 C251 A252	P179-L248 HydrophobicContact CB-CD2 4.29Å; C182-L248 HydrophobicContact CB-CD1 3.98Å; C182-L248 HydrophobicContact CB-CD2 3.73Å; L183-L248 HydrophobicContact CB-CB 4.41Å; L183-L248 HydrophobicContact CB-CD1 4.36Å; F234-L248 HydrophobicContact CB-CD1 4.39Å; F234-L248 HydrophobicContact CB-CD2 4.46Å; F234-L248 HydrophobicContact CB-CG 4.07Å; F234-L248 HydrophobicContact CD1-CD2 3.64Å; F234-L248 HydrophobicContact CD1-CG 4.18Å; F234-L248 HydrophobicContact CD2-CD1 4.07Å; F234-L248 HydrophobicContact CD2-CD2 4.4Å; F234-L248 HydrophobicContact CD2-CG 4.4Å; F234-L248 HydrophobicContact CE1-CD2 3.89Å; F234-L248 HydrophobicContact CG-CD1 4.15Å; F234-L248 HydrophobicContact CG-CD2 3.93Å; F234-L248 HydrophobicContact CG-CG 3.98Å; F234-L248 HydrophobicContact CZ-CD2 4.38Å; T244-L248 PolarHBondContact O-N 3.13Å; K245-L248 PolarHBondContact O-N 3.34Å; L248-C251 PolarHBondContact O-N 3.19Å; L248-A252 VanDerWaalsContact O-CB 3.28Å; L248-A252 WeakPolarHBondContact O-CB 3.45Å; L248-A252 PolarHBondContact O-N 2.95Å
249	G	98.4	Very high	95.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66	-38.4	179.4	0	0	0	0	0	113.1	F234 K245 R246 A252 Q253	F234-G249 WeakPolarHBondContact O-CA 3.44Å; K245-G249 PolarHBondContact O-N 3.44Å; R246-G249 PolarHBondContact O-N 3.3Å; G249-A252 PolarHBondContact O-N 3.41Å; G249-Q253 WeakPolarHBondContact O-CB 3.38Å; G249-Q253 PolarHBondContact O-N 3.06Å
250	F	98.6	Very high	95.4	Very high	7 Å²	7	29.5 Å²	29.5	3%	0.031	14%	0.144	C	C	.	.	H	α-helix	trans	-58	-51.3	172.1	176.7	-80.9	0	0	0	111.1	R246 Q247 Q253 W254 K291 E298 R300	R246-F250 VanDerWaalsContact O-CB 3.28Å; R246-F250 WeakPolarHBondContact O-CB 3.46Å; R246-F250 PolarHBondContact O-N 3.48Å; Q247-F250 PolarHBondContact O-N 3.47Å; F250-Q253 PolarHBondContact O-N 3.32Å; F250-W254 WeakPolarHBondContact O-CB 3.48Å; F250-W254 PolarHBondContact O-N 2.86Å; F250-K291 HydrophobicContact CE1-CB 3.62Å; F250-K291 HydrophobicContact CE1-CD 4.2Å; F250-K291 HydrophobicContact CZ-CB 3.86Å; F250-E298 HydrophobicContact CD2-CG 4Å; F250-E298 HydrophobicContact CE2-CB 4.16Å; F250-E298 HydrophobicContact CE2-CG 3.92Å; F250-R300 HydrophobicContact CD1-CB 4.16Å; F250-R300 HydrophobicContact CE1-CB 3.55Å; F250-R300 HydrophobicContact CE1-CG 4.43Å; F250-R300 HydrophobicContact CZ-CB 3.98Å
251	C	98.4	Very high	94.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-67.6	-38.2	-179.3	-64.1	0	0	0	0	112	L183 L186 L187 Q247 L248 W254 A255 R300	L183-C251 HydrophobicContact CD1-CB 3.96Å; L183-C251 VanDerWaalsContact CD1-SG 3.57Å; L186-C251 HydrophobicContact CD2-CB 3.82Å; L187-C251 HydrophobicContact CD2-CB 4.41Å; Q247-C251 PolarHBondContact O-N 2.87Å; Q247-C251 PolarHBondContact O-SG 3.21Å; L248-C251 PolarHBondContact O-N 3.19Å; C251-W254 PolarHBondContact O-N 2.91Å; C251-A255 VanDerWaalsContact O-CB 3.28Å; C251-A255 WeakPolarHBondContact O-CB 3.43Å; C251-A255 PolarHBondContact O-N 3.29Å; C251-R300 WeakPolarHBondContact SG-CD 3.38Å; C251-R300 PolarHBondContact SG-NE 3.24Å; C251-R300 VanDerWaalsContact SG-NE 3.41Å
252	A	98.1	Very high	94.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.5	-45.8	177.8	0	0	0	0	0	112	L186 L231 F234 E235 L248 G249 W254 A255 L256	L186-A252 HydrophobicContact CD2-CB 4.15Å; L231-A252 HydrophobicContact CB-CB 4.34Å; L231-A252 HydrophobicContact CD2-CB 4.47Å; F234-A252 HydrophobicContact CB-CB 3.57Å; E235-A252 HydrophobicContact CB-CB 4.48Å; L248-A252 VanDerWaalsContact O-CB 3.28Å; L248-A252 WeakPolarHBondContact O-CB 3.45Å; L248-A252 PolarHBondContact O-N 2.95Å; G249-A252 PolarHBondContact O-N 3.41Å; A252-W254 VanDerWaalsContact C-N 3.35Å; A252-A255 PolarHBondContact O-N 3.37Å; A252-L256 WeakPolarHBondContact O-CB 3.35Å; A252-L256 WeakPolarHBondContact O-CG 3.49Å; A252-L256 PolarHBondContact O-N 2.97Å
253	Q	97.5	Very high	93.7	Very high	24 Å²	24	28.5 Å²	28.5	11%	0.112	14%	0.14	C	C	.	.	H	α-helix	trans	-60.4	-46.2	174.4	-175.9	171.3	73.7	0	0	111	E235 N238 G249 F250 A255 L256 D257 A268	E235-Q253 HydrophobicContact CB-CB 3.92Å; N238-Q253 PolarHBondContact ND2-NE2 3.4Å; N238-Q253 VanDerWaalsContact ND2-NE2 3.17Å; N238-Q253 PolarHBondContact ND2-OE1 2.88Å; N238-Q253 VanDerWaalsContact ND2-OE1 3.09Å; G249-Q253 WeakPolarHBondContact O-CB 3.38Å; G249-Q253 PolarHBondContact O-N 3.06Å; F250-Q253 PolarHBondContact O-N 3.32Å; Q253-A255 VanDerWaalsContact C-N 3.34Å; Q253-A255 PolarHBondContact O-N 2.64Å; Q253-L256 PolarHBondContact O-N 3.44Å; Q253-D257 PolarHBondContact O-N 3.16Å; Q253-D257 VanDerWaalsContact O-N 3.1Å; Q253-A268 VanDerWaalsContact CD-CB 3.49Å; Q253-A268 HydrophobicContact CG-CB 3.77Å
254	W	95.2	Very high	93.2	Very high	34 Å²	34	33.8 Å²	33.8	13%	0.129	17%	0.169	C	C	.	.	H	α-helix	trans	-60.8	-43.7	177.8	-172	93.4	0	0	0	111.6	F250 C251 A252 D257 N258 I259 K291 K470	F250-W254 WeakPolarHBondContact O-CB 3.48Å; F250-W254 PolarHBondContact O-N 2.86Å; C251-W254 PolarHBondContact O-N 2.91Å; A252-W254 VanDerWaalsContact C-N 3.35Å; W254-D257 PolarHBondContact O-N 2.93Å; W254-N258 HydrophobicContact CD2-CB 4.23Å; W254-N258 HydrophobicContact CE3-CB 4.25Å; W254-N258 HydrophobicContact CH2-CB 3.97Å; W254-N258 HydrophobicContact CZ2-CB 3.95Å; W254-N258 HydrophobicContact CZ3-CB 4.13Å; W254-N258 PolarHBondContact NE1-ND2 2.84Å; W254-N258 VanDerWaalsContact O-CB 3.31Å; W254-N258 WeakPolarHBondContact O-CB 3.45Å; W254-N258 PolarHBondContact O-N 3.3Å; W254-N258 PolarHBondContact O-ND2 2.88Å; W254-I259 HydrophobicContact CH2-CD1 4.07Å; W254-I259 HydrophobicContact CH2-CG1 4.31Å; W254-I259 HydrophobicContact CZ3-CD1 3.56Å; W254-I259 HydrophobicContact CZ3-CG1 3.92Å; W254-K291 HydrophobicContact CB-CD 4.44Å; W254-K291 HydrophobicContact CD2-CD 3.72Å; W254-K291 HydrophobicContact CD2-CG 3.87Å; W254-K291 HydrophobicContact CE3-CD 4.01Å; W254-K291 HydrophobicContact CE3-CG 4.48Å; W254-K291 HydrophobicContact CG-CB 4.22Å; W254-K291 HydrophobicContact CG-CD 3.88Å; W254-K291 HydrophobicContact CG-CG 4.05Å; W254-K291 HydrophobicContact CZ2-CG 4.18Å; W254-K470 HydrophobicContact CH2-CD 4.49Å; W254-K470 HydrophobicContact CZ2-CD 3.96Å; W254-K470 HydrophobicContact CZ2-CG 4.46Å
255	A	93.9	Very high	92.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66	-39	179.6	0	0	0	0	0	112.5	L186 E190 L231 C251 A252 Q253 D257 N258 I259 F260	L186-A255 HydrophobicContact CD1-CB 4.01Å; E190-A255 HydrophobicContact CG-CB 4.26Å; L231-A255 HydrophobicContact CD1-CB 4.4Å; C251-A255 VanDerWaalsContact O-CB 3.28Å; C251-A255 WeakPolarHBondContact O-CB 3.43Å; C251-A255 PolarHBondContact O-N 3.29Å; A252-A255 PolarHBondContact O-N 3.37Å; Q253-A255 VanDerWaalsContact C-N 3.34Å; Q253-A255 PolarHBondContact O-N 2.64Å; A255-D257 VanDerWaalsContact C-N 3.26Å; A255-D257 PolarHBondContact O-N 2.63Å; A255-N258 PolarHBondContact O-N 2.74Å; A255-I259 PolarHBondContact O-N 2.94Å; A255-F260 HydrophobicContact CB-CD2 4.05Å; A255-F260 PolarHBondContact O-N 2.9Å
256	L	93.2	Very high	92.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.2	-27.8	174.1	-76.9	169.8	0	0	0	113.1	L231 V232 E235 A252 Q253 V261 P262	L231-L256 HydrophobicContact CB-CD1 3.97Å; L231-L256 HydrophobicContact CB-CD2 3.97Å; L231-L256 HydrophobicContact CB-CG 3.83Å; L231-L256 HydrophobicContact CD1-CD2 4.44Å; L231-L256 HydrophobicContact CD1-CG 4.47Å; V232-L256 HydrophobicContact CG2-CD1 4Å; V232-L256 HydrophobicContact CG2-CD2 4.19Å; E235-L256 HydrophobicContact CB-CD1 4.21Å; E235-L256 HydrophobicContact CG-CD1 4.17Å; A252-L256 WeakPolarHBondContact O-CB 3.35Å; A252-L256 WeakPolarHBondContact O-CG 3.49Å; A252-L256 PolarHBondContact O-N 2.97Å; Q253-L256 PolarHBondContact O-N 3.44Å; L256-V261 VanDerWaalsContact O-CA 3.25Å; L256-V261 WeakPolarHBondContact O-CA 3.37Å; L256-V261 WeakPolarHBondContact O-CG2 3.21Å; L256-P262 HydrophobicContact CD2-CG 3.84Å
257	D	89.3	Confident	92.3	Very high	11 Å²	11	34.3 Å²	34.3	6%	0.059	17%	0.173	C	C	.	.	H	α-helix	trans	-92.9	-17.5	-179	-76.1	7.9	0	0	0	112.7	Q253 W254 A255 R265 F267 A268 T469	Q253-D257 PolarHBondContact O-N 3.16Å; Q253-D257 VanDerWaalsContact O-N 3.1Å; W254-D257 PolarHBondContact O-N 2.93Å; A255-D257 VanDerWaalsContact C-N 3.26Å; A255-D257 PolarHBondContact O-N 2.63Å; D257-R265 IonicContact OD1-CZ 2.75Å; D257-R265 IonicContact OD1-NE 2.77Å; D257-R265 PolarHBondContact OD1-NE 3.42Å; D257-R265 IonicContact OD1-NH2 3.25Å; D257-R265 PolarHBondContact OD1-NH2 2.79Å; D257-F267 HydrophobicContact CB-CD1 4.24Å; D257-A268 WeakPolarHBondContact OD2-CB 3.46Å; D257-A268 PolarHBondContact OD2-N 3.21Å; D257-T469 HydrophobicContact CB-CG2 3.88Å; D257-T469 WeakPolarHBondContact O-CB 3.22Å; D257-T469 WeakPolarHBondContact O-CG2 3.27Å
258	N	85.8	Confident	92	Very high	26 Å²	26	33.1 Å²	33.1	14%	0.139	17%	0.168	C	C	.	.	H	α-helix	trans	-124.6	-32.8	-170.2	-66.2	-84.8	0	0	0	115.6	W254 A255 T469 K470	W254-N258 HydrophobicContact CD2-CB 4.23Å; W254-N258 HydrophobicContact CE3-CB 4.25Å; W254-N258 HydrophobicContact CH2-CB 3.97Å; W254-N258 HydrophobicContact CZ2-CB 3.95Å; W254-N258 HydrophobicContact CZ3-CB 4.13Å; W254-N258 PolarHBondContact NE1-ND2 2.84Å; W254-N258 VanDerWaalsContact O-CB 3.31Å; W254-N258 WeakPolarHBondContact O-CB 3.45Å; W254-N258 PolarHBondContact O-N 3.3Å; W254-N258 PolarHBondContact O-ND2 2.88Å; A255-N258 PolarHBondContact O-N 2.74Å; N258-T469 WeakPolarHBondContact OD1-CA 3.43Å; N258-K470 WeakPolarHBondContact OD1-CB 3.43Å; N258-K470 PolarHBondContact OD1-N 3.45Å
259	I	86	Confident	91.6	Very high	15 Å²	15	35.1 Å²	35.1	8%	0.077	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-58.6	-170.1	-61.3	-174.6	0	0	0	111.4	E190 A193 S194 R216 W254 A255 V261	E190-I259 HydrophobicContact CB-CD1 3.78Å; E190-I259 HydrophobicContact CG-CD1 3.92Å; A193-I259 HydrophobicContact CB-CG2 3.55Å; S194-I259 WeakPolarHBondContact OG-CD1 3.33Å; R216-I259 PolarHBondContact NE-O 2.71Å; R216-I259 PolarHBondContact NH2-O 2.9Å; W254-I259 HydrophobicContact CH2-CD1 4.07Å; W254-I259 HydrophobicContact CH2-CG1 4.31Å; W254-I259 HydrophobicContact CZ3-CD1 3.56Å; W254-I259 HydrophobicContact CZ3-CG1 3.92Å; A255-I259 PolarHBondContact O-N 2.94Å; I259-V261 PolarHBondContact O-N 3.08Å
260	F	88.8	Confident	91.2	Very high	4 Å²	4	40 Å²	40	2%	0.018	20%	0.202	C	C	.	.	S	Bend	trans	-102.3	47.2	-174.8	-54.5	-60.6	0	0	0	111.2	L186 L189 E190 A193 I219 F223 L231 A255 P262	L186-F260 HydrophobicContact CD1-CE2 4.23Å; L189-F260 HydrophobicContact CB-CE2 4.35Å; L189-F260 HydrophobicContact CB-CZ 4.05Å; E190-F260 HydrophobicContact CG-CE2 4.19Å; A193-F260 HydrophobicContact CB-CE1 3.46Å; A193-F260 VanDerWaalsContact CB-CE1 3.46Å; A193-F260 HydrophobicContact CB-CZ 3.57Å; I219-F260 HydrophobicContact CB-CD1 4.44Å; I219-F260 HydrophobicContact CB-CE1 3.93Å; I219-F260 HydrophobicContact CD1-CE1 4.07Å; I219-F260 HydrophobicContact CD1-CZ 4.27Å; I219-F260 HydrophobicContact CG2-CD1 3.77Å; I219-F260 HydrophobicContact CG2-CE1 3.4Å; I219-F260 VanDerWaalsContact CG2-CE1 3.4Å; I219-F260 HydrophobicContact CG2-CZ 3.9Å; F223-F260 HydrophobicContact CD2-CB 4.29Å; F223-F260 HydrophobicContact CD2-CG 4.41Å; F223-F260 HydrophobicContact CE2-CB 4.16Å; F223-F260 HydrophobicContact CE2-CD1 4.2Å; F223-F260 HydrophobicContact CE2-CD2 4.06Å; F223-F260 AromaticContact CE2-CG 3.88Å; F223-F260 HydrophobicContact CE2-CG 3.88Å; L231-F260 HydrophobicContact CD1-CB 4.3Å; L231-F260 HydrophobicContact CD1-CD2 3.94Å; L231-F260 HydrophobicContact CD1-CG 4.49Å; A255-F260 HydrophobicContact CB-CD2 4.05Å; A255-F260 PolarHBondContact O-N 2.9Å; F260-P262 WeakPolarHBondContact O-CD 3.45Å
261	V	86.7	Confident	90.9	Very high	35 Å²	35	45.7 Å²	45.7	21%	0.212	23%	0.228	C	C	.	.			trans	-66.3	114.8	-174	-169.1	0	0	0	0	111.3	L256 I259 R265 F267	L256-V261 VanDerWaalsContact O-CA 3.25Å; L256-V261 WeakPolarHBondContact O-CA 3.37Å; L256-V261 WeakPolarHBondContact O-CG2 3.21Å; I259-V261 PolarHBondContact O-N 3.08Å; V261-R265 HydrophobicContact CG1-CB 4.05Å; V261-R265 HydrophobicContact CG1-CG 4.29Å; V261-F267 HydrophobicContact CG1-CE1 3.84Å; V261-F267 HydrophobicContact CG1-CZ 4.34Å
262	P	86.5	Confident	90.5	Very high	35 Å²	35	47.8 Å²	47.8	23%	0.227	24%	0.238	C	C	.	.			trans	-63.8	152.8	169.7	-19.5	32.1	0	0	0	112.1	L256 F260 D264 R265	L256-P262 HydrophobicContact CD2-CG 3.84Å; F260-P262 WeakPolarHBondContact O-CD 3.45Å; P262-D264 VanDerWaalsContact C-N 3.3Å; P262-D264 PolarHBondContact O-N 3.06Å; P262-R265 HydrophobicContact CB-CB 4.25Å; P262-R265 HydrophobicContact CG-CB 4.37Å; P262-R265 VanDerWaalsContact O-CB 3.26Å; P262-R265 WeakPolarHBondContact O-CB 3.46Å; P262-R265 PolarHBondContact O-N 3.37Å
263	E	83.7	Confident	90.2	Very high	210 Å²	210	52.7 Å²	52.7	98%	0.981	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-33.5	-176.8	-65.9	-173.9	169.7	0	0	113.8
264	D	87.1	Confident	89.9	Confident	141 Å²	141	52.7 Å²	52.7	75%	0.754	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	12.4	-178	66.5	-35.4	0	0	0	113.5	P262 V266	P262-D264 VanDerWaalsContact C-N 3.3Å; P262-D264 PolarHBondContact O-N 3.06Å; D264-V266 PolarHBondContact O-N 2.72Å
265	R	89.7	Confident	89.7	Confident	40 Å²	40	54.8 Å²	54.8	15%	0.151	28%	0.284	C	S	.	.			trans	-63.8	122.8	-174.6	-179.5	60.3	-179.8	174.9	-1.6	111.9	E235 D257 V261 P262 F267	E235-R265 VanDerWaalsContact CD-NH1 3.28Å; E235-R265 IonicContact OE1-CZ 3.54Å; E235-R265 IonicContact OE1-NH1 3.38Å; E235-R265 PolarHBondContact OE1-NH1 3.47Å; E235-R265 IonicContact OE2-CZ 3.51Å; E235-R265 IonicContact OE2-NH1 3.46Å; E235-R265 PolarHBondContact OE2-NH1 2.9Å; E235-R265 IonicContact OE2-NH2 2.72Å; E235-R265 PolarHBondContact OE2-NH2 3.01Å; D257-R265 IonicContact OD1-CZ 2.75Å; D257-R265 IonicContact OD1-NE 2.77Å; D257-R265 PolarHBondContact OD1-NE 3.42Å; D257-R265 IonicContact OD1-NH2 3.25Å; D257-R265 PolarHBondContact OD1-NH2 2.79Å; V261-R265 HydrophobicContact CG1-CB 4.05Å; V261-R265 HydrophobicContact CG1-CG 4.29Å; P262-R265 HydrophobicContact CB-CB 4.25Å; P262-R265 HydrophobicContact CG-CB 4.37Å; P262-R265 VanDerWaalsContact O-CB 3.26Å; P262-R265 WeakPolarHBondContact O-CB 3.46Å; P262-R265 PolarHBondContact O-N 3.37Å; R265-F267 HydrophobicContact CG-CD1 4.33Å
266	V	92.1	Very high	89.6	Confident	80 Å²	80	57.2 Å²	57.2	49%	0.485	30%	0.301	S	S	.	.			trans	-84.7	111.2	160.7	-176.3	0	0	0	0	108.1	D264 L270 Q271	D264-V266 PolarHBondContact O-N 2.72Å; V266-L270 HydrophobicContact CG1-CB 4.32Å; V266-Q271 HydrophobicContact CG1-CG 3.71Å; V266-Q271 PolarHBondContact O-NE2 3.45Å
267	F	91.5	Very high	89.7	Confident	31 Å²	31	57.2 Å²	57.2	14%	0.136	30%	0.301	C	S	.	.			trans	-56.5	142.9	-179.8	-62	-60.1	0	0	0	112.3	D257 V261 R265 Y269 L270 T469 Y471	D257-F267 HydrophobicContact CB-CD1 4.24Å; V261-F267 HydrophobicContact CG1-CE1 3.84Å; V261-F267 HydrophobicContact CG1-CZ 4.34Å; R265-F267 HydrophobicContact CG-CD1 4.33Å; F267-Y269 VanDerWaalsContact C-N 3.27Å; F267-Y269 HydrophobicContact CB-CD1 3.55Å; F267-Y269 HydrophobicContact CB-CE1 3.46Å; F267-Y269 VanDerWaalsContact CB-CE1 3.46Å; F267-Y269 AromaticContact CD2-CE1 3.86Å; F267-Y269 HydrophobicContact CD2-CE1 3.86Å; F267-Y269 HydrophobicContact CG-CD1 4.35Å; F267-Y269 AromaticContact CG-CE1 3.86Å; F267-Y269 HydrophobicContact CG-CE1 3.86Å; F267-Y269 PolarHBondContact O-N 3.43Å; F267-L270 HydrophobicContact CB-CD1 4.27Å; F267-L270 HydrophobicContact CB-CG 4.4Å; F267-L270 HydrophobicContact CD2-CD1 4.27Å; F267-L270 WeakPolarHBondContact O-CB 3.19Å; F267-L270 PolarHBondContact O-N 3.1Å; F267-T469 HydrophobicContact CD1-CG2 3.99Å; F267-T469 HydrophobicContact CE1-CG2 4.4Å; F267-T469 HydrophobicContact CG-CG2 4.31Å; F267-Y471 HydrophobicContact CZ-CD1 4.47Å
268	A	93.1	Very high	90	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.008	32%	0.317	C	S	.	.	H	α-helix	trans	-61.7	-35.7	-174.3	0	0	0	0	0	112.3	Q253 D257 L270 Q271 E272 A294	Q253-A268 VanDerWaalsContact CD-CB 3.49Å; Q253-A268 HydrophobicContact CG-CB 3.77Å; D257-A268 WeakPolarHBondContact OD2-CB 3.46Å; D257-A268 PolarHBondContact OD2-N 3.21Å; A268-L270 PolarHBondContact O-N 3.03Å; A268-L270 VanDerWaalsContact O-N 3.15Å; A268-Q271 PolarHBondContact O-N 3.33Å; A268-E272 PolarHBondContact O-N 3.35Å; A268-E272 VanDerWaalsContact O-N 3.14Å; A268-A294 HydrophobicContact CB-CB 3.67Å
269	Y	89.3	Confident	90.6	Very high	43 Å²	43	60.5 Å²	60.5	17%	0.169	31%	0.311	C	S	.	.	H	α-helix	trans	-63.3	-20.9	177.7	80.9	-96.2	0	0	0	113.7	F267 I467 T469 D472	F267-Y269 VanDerWaalsContact C-N 3.27Å; F267-Y269 HydrophobicContact CB-CD1 3.55Å; F267-Y269 HydrophobicContact CB-CE1 3.46Å; F267-Y269 VanDerWaalsContact CB-CE1 3.46Å; F267-Y269 AromaticContact CD2-CE1 3.86Å; F267-Y269 HydrophobicContact CD2-CE1 3.86Å; F267-Y269 HydrophobicContact CG-CD1 4.35Å; F267-Y269 AromaticContact CG-CE1 3.86Å; F267-Y269 HydrophobicContact CG-CE1 3.86Å; F267-Y269 PolarHBondContact O-N 3.43Å; Y269-I467 WeakPolarHBondContact CB-O 3.23Å; Y269-T469 HydrophobicContact CD1-CG2 4.1Å; Y269-T469 HydrophobicContact CE1-CG2 4.11Å; Y269-D472 WeakPolarHBondContact CE1-OD2 3.4Å; Y269-D472 PolarHBondContact OH-OD2 3.4Å
270	L	90.4	Very high	91.1	Very high	104 Å²	104	59.9 Å²	59.9	55%	0.545	31%	0.308	S	S	.	.	H	α-helix	trans	-82.2	-18.2	174.5	-63.9	173.1	0	0	0	112.4	V266 F267 A268	V266-L270 HydrophobicContact CG1-CB 4.32Å; F267-L270 HydrophobicContact CB-CD1 4.27Å; F267-L270 HydrophobicContact CB-CG 4.4Å; F267-L270 HydrophobicContact CD2-CD1 4.27Å; F267-L270 WeakPolarHBondContact O-CB 3.19Å; F267-L270 PolarHBondContact O-N 3.1Å; A268-L270 PolarHBondContact O-N 3.03Å; A268-L270 VanDerWaalsContact O-N 3.15Å
271	Q	91.6	Very high	91.5	Very high	125 Å²	125	59.8 Å²	59.8	58%	0.584	31%	0.307	S	S	*	.	H	α-helix	trans	-97.4	-19.6	-178.5	-56.2	-175.6	44.9	0	0	112.7	V266 A268	V266-Q271 HydrophobicContact CG1-CG 3.71Å; V266-Q271 PolarHBondContact O-NE2 3.45Å; A268-Q271 PolarHBondContact O-N 3.33Å
272	E	91	Very high	91.8	Very high	45 Å²	45	59.4 Å²	59.4	21%	0.21	30%	0.304	C	S	.	.	S	Bend	trans	-78.9	132.3	-179.8	-69.7	-67.5	157.5	0	0	112.4	K239 A268 M274 A294	K239-E272 IonicContact NZ-OE1 2.83Å; K239-E272 PolarHBondContact NZ-OE1 3.44Å; K239-E272 IonicContact NZ-OE2 3.65Å; K239-E272 PolarHBondContact NZ-OE2 2.98Å; A268-E272 PolarHBondContact O-N 3.35Å; A268-E272 VanDerWaalsContact O-N 3.14Å; E272-M274 PolarHBondContact O-N 3.09Å; E272-A294 HydrophobicContact CG-CB 3.68Å
273	D	91.2	Very high	91.8	Very high	103 Å²	103	59.8 Å²	59.8	55%	0.551	30%	0.303	S	S	*	.			trans	-80.3	106.8	172	179.2	14.9	0	0	0	111.1	S275	D273-S275 VanDerWaalsContact CG-OG 3.32Å; D273-S275 WeakPolarHBondContact OD1-CB 3.49Å; D273-S275 PolarHBondContact OD1-N 2.77Å; D273-S275 PolarHBondContact OD1-OG 3.45Å; D273-S275 PolarHBondContact OD2-OG 2.93Å
274	M	91.7	Very high	91.9	Very high	24 Å²	24	56 Å²	56	12%	0.118	29%	0.289	C	S	.	.			trans	-100	10.8	179.5	-63.3	-60.9	-78.8	0	0	113.6	E272 S276 T277 L280 D295 R465	E272-M274 PolarHBondContact O-N 3.09Å; M274-S276 VanDerWaalsContact C-N 3.35Å; M274-S276 PolarHBondContact O-N 3.17Å; M274-T277 HydrophobicContact CE-CG2 3.77Å; M274-T277 PolarHBondContact O-N 2.85Å; M274-L280 HydrophobicContact CE-CD2 3.61Å; M274-D295 WeakPolarHBondContact CE-O 3.25Å; M274-D295 HydrophobicContact SD-CB 4.38Å; M274-R465 WeakPolarHBondContact CE-O 3.19Å; M274-R465 PolarHBondContact O-NH1 3.43Å
275	S	90.4	Very high	92	Very high	78 Å²	78	51.5 Å²	51.5	55%	0.545	27%	0.265	S	S	.	.	S	Bend	trans	-61.4	-42	-177.8	63.7	0	0	0	0	112.4	D273 R465	D273-S275 VanDerWaalsContact CG-OG 3.32Å; D273-S275 WeakPolarHBondContact OD1-CB 3.49Å; D273-S275 PolarHBondContact OD1-N 2.77Å; D273-S275 PolarHBondContact OD1-OG 3.45Å; D273-S275 PolarHBondContact OD2-OG 2.93Å; S275-R465 PolarHBondContact O-NH1 3.31Å
276	S	92.6	Very high	91.9	Very high	51 Å²	51	50.9 Å²	50.9	36%	0.357	27%	0.268	S	S	.	.	S	Bend	trans	-87.4	-10.5	-179.1	61	0	0	0	0	114.6	M274 N455	M274-S276 VanDerWaalsContact C-N 3.35Å; M274-S276 PolarHBondContact O-N 3.17Å; S276-N455 PolarHBondContact O-ND2 3.27Å; S276-N455 PolarHBondContact O-OD1 2.75Å
277	T	95.3	Very high	91.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.253	C	S	.	.			trans	-81.8	123.9	179.2	-50.4	0	0	0	0	110.7	M274 A279 L280 K440 L460 R465	M274-T277 HydrophobicContact CE-CG2 3.77Å; M274-T277 PolarHBondContact O-N 2.85Å; T277-A279 WeakPolarHBondContact CG2-O 3.05Å; T277-L280 HydrophobicContact CG2-CB 4.34Å; T277-L280 HydrophobicContact CG2-CD2 4.25Å; T277-K440 PolarHBondContact OG1-NZ 2.99Å; T277-L460 HydrophobicContact CG2-CD1 4.38Å; T277-R465 PolarHBondContact O-NH1 3.46Å; T277-R465 VanDerWaalsContact O-NH1 3.12Å
278	R	96.2	Very high	90.9	Very high	106 Å²	106	50.9 Å²	50.9	40%	0.4	27%	0.266	S	S	.	.			trans	-124.2	-9.5	179.9	-68.1	-161.6	-176.4	83.7	0.6	114.2	N455 G458 L460	R278-N455 WeakPolarHBondContact CB-O 3.27Å; R278-N455 VanDerWaalsContact CD-O 3.31Å; R278-N455 WeakPolarHBondContact CD-O 3.47Å; R278-N455 PolarHBondContact N-OD1 3.24Å; R278-N455 PolarHBondContact NH1-O 3.33Å; R278-G458 WeakPolarHBondContact CB-O 3.27Å; R278-G458 VanDerWaalsContact CD-O 3.3Å; R278-G458 WeakPolarHBondContact CD-O 3.37Å; R278-G458 CarbonylContact O-C 3.45Å; R278-G458 VanDerWaalsContact O-CA 3.27Å; R278-G458 WeakPolarHBondContact O-CA 3.21Å; R278-L460 WeakPolarHBondContact O-CG 3.41Å
279	A	96.9	Very high	90.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.273	C	S	.	.			trans	-145.1	142	169.3	0	0	0	0	0	109.5	T277 F313 F438 F454	T277-A279 WeakPolarHBondContact CG2-O 3.05Å; A279-F313 HydrophobicContact CB-CB 4.35Å; A279-F438 HydrophobicContact CB-CB 4.07Å; A279-F438 HydrophobicContact CB-CD2 4.28Å; A279-F438 HydrophobicContact CB-CG 4.22Å; A279-F454 HydrophobicContact CB-CB 3.64Å
280	L	96.7	Very high	90.5	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.01	27%	0.268	C	S	.	.			trans	-152.8	175.6	-178.7	55.5	80.2	0	0	0	110.4	M274 T277 G296 L297 C311 T312 L460 I467	M274-L280 HydrophobicContact CE-CD2 3.61Å; T277-L280 HydrophobicContact CG2-CB 4.34Å; T277-L280 HydrophobicContact CG2-CD2 4.25Å; L280-G296 WeakPolarHBondContact CB-O 3.18Å; L280-L297 HydrophobicContact CB-CD2 4.38Å; L280-C311 CarbonylContact O-C 3.47Å; L280-C311 VanDerWaalsContact O-CA 3.25Å; L280-C311 WeakPolarHBondContact O-CA 3.33Å; L280-C311 WeakPolarHBondContact O-CB 3.38Å; L280-T312 HydrophobicContact CD1-CG2 3.48Å; L280-T312 VanDerWaalsContact CD1-CG2 3.48Å; L280-T312 HydrophobicContact CG-CG2 4.06Å; L280-T312 PolarHBondContact N-OG1 3.3Å; L280-T312 VanDerWaalsContact N-OG1 3.15Å; L280-T312 PolarHBondContact O-N 3.19Å; L280-T312 PolarHBondContact O-OG1 2.99Å; L280-L460 HydrophobicContact CD2-CD1 3.67Å; L280-L460 HydrophobicContact CG-CD1 3.87Å; L280-L460 HydrophobicContact CG-CD2 4.47Å; L280-I467 HydrophobicContact CD1-CD1 4.13Å
281	L	96.8	Very high	90.7	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	125	172	-63.4	177.5	0	0	0	110.4	Q283 I292 G296 A299 V309 F436 F438	L281-Q283 PolarHBondContact O-N 3.31Å; L281-Q283 VanDerWaalsContact O-N 3.1Å; L281-I292 HydrophobicContact CB-CD1 4.24Å; L281-I292 HydrophobicContact CB-CG2 4.43Å; L281-G296 WeakPolarHBondContact CB-O 3.17Å; L281-G296 WeakPolarHBondContact CG-O 3.48Å; L281-G296 PolarHBondContact N-O 2.66Å; L281-A299 HydrophobicContact CD1-CB 3.5Å; L281-A299 VanDerWaalsContact CD1-CB 3.5Å; L281-V309 HydrophobicContact CB-CG2 4.03Å; L281-V309 HydrophobicContact CD2-CG1 4.01Å; L281-V309 HydrophobicContact CD2-CG2 4.39Å; L281-F436 HydrophobicContact CD1-CD2 3.71Å; L281-F436 HydrophobicContact CD1-CE2 3.81Å; L281-F436 HydrophobicContact CD2-CD1 4.47Å; L281-F436 HydrophobicContact CD2-CD2 3.74Å; L281-F436 HydrophobicContact CD2-CE2 3.82Å; L281-F436 HydrophobicContact CD2-CG 4.09Å; L281-F436 HydrophobicContact CD2-CZ 4.24Å; L281-F436 HydrophobicContact CG-CD2 4.01Å; L281-F436 HydrophobicContact CG-CE2 4.33Å; L281-F438 HydrophobicContact CD2-CE2 4.39Å; L281-F438 HydrophobicContact CD2-CZ 4.16Å
282	N	93.3	Very high	90.9	Very high	27 Å²	27	41.4 Å²	41.4	14%	0.144	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	98	-173.2	-175.3	8.9	0	0	0	110.9	N284 D285 A286 R310 T312	N282-N284 PolarHBondContact O-N 3.5Å; N282-N284 VanDerWaalsContact O-N 3.15Å; N282-N284 PolarHBondContact OD1-N 2.81Å; N282-D285 HydrophobicContact CB-CB 4.07Å; N282-D285 VanDerWaalsContact ND2-CB 3.26Å; N282-D285 WeakPolarHBondContact ND2-CB 3.12Å; N282-D285 CarbonylContact O-C 3.47Å; N282-D285 WeakPolarHBondContact O-CA 3.15Å; N282-D285 PolarHBondContact O-N 3.45Å; N282-A286 PolarHBondContact O-N 2.79Å; N282-A286 VanDerWaalsContact O-N 3.14Å; N282-R310 WeakPolarHBondContact CB-O 3.34Å; N282-R310 PolarHBondContact N-O 3.06Å; N282-T312 HydrophobicContact CB-CG2 3.77Å
283	Q	86.8	Confident	91.2	Very high	44 Å²	44	39.8 Å²	39.8	21%	0.206	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	-32.2	176.7	-179.9	177.1	1.9	0	0	113.5	L281 D285 A286 I292 I467 L468 D473	L281-Q283 PolarHBondContact O-N 3.31Å; L281-Q283 VanDerWaalsContact O-N 3.1Å; Q283-D285 PolarHBondContact O-N 3.33Å; Q283-A286 PolarHBondContact O-N 3.01Å; Q283-I292 HydrophobicContact CB-CD1 4.1Å; Q283-I467 HydrophobicContact CB-CD1 4.4Å; Q283-I467 VanDerWaalsContact OE1-CA 3.29Å; Q283-L468 PolarHBondContact NE2-O 3.48Å; Q283-D473 PolarHBondContact NE2-OD2 3.24Å; Q283-D473 VanDerWaalsContact NE2-OD2 3.12Å
284	N	87	Confident	91.3	Very high	129 Å²	129	35.5 Å²	35.5	69%	0.69	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76	-9.1	178.5	-61.5	-47.3	0	0	0	113.6	N282	N282-N284 PolarHBondContact O-N 3.5Å; N282-N284 VanDerWaalsContact O-N 3.15Å; N282-N284 PolarHBondContact OD1-N 2.81Å
285	D	87.8	Confident	91.5	Very high	48 Å²	48	34.7 Å²	34.7	26%	0.257	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	34.4	178.2	-169.1	21.1	0	0	0	109.8	N282 Q283 R310	N282-D285 HydrophobicContact CB-CB 4.07Å; N282-D285 VanDerWaalsContact ND2-CB 3.26Å; N282-D285 WeakPolarHBondContact ND2-CB 3.12Å; N282-D285 CarbonylContact O-C 3.47Å; N282-D285 WeakPolarHBondContact O-CA 3.15Å; N282-D285 PolarHBondContact O-N 3.45Å; Q283-D285 PolarHBondContact O-N 3.33Å; D285-R310 PolarHBondContact O-N 2.88Å; D285-R310 IonicContact OD1-CZ 2.71Å; D285-R310 IonicContact OD1-NE 3.17Å; D285-R310 IonicContact OD1-NH2 2.76Å; D285-R310 PolarHBondContact OD1-NH2 3.43Å; D285-R310 IonicContact OD2-CZ 3.26Å; D285-R310 IonicContact OD2-NE 3.41Å; D285-R310 PolarHBondContact OD2-NE 2.84Å; D285-R310 IonicContact OD2-NH2 3.88Å; D285-R310 PolarHBondContact OD2-NH2 2.94Å
286	A	87.4	Confident	91.7	Very high	26 Å²	26	31 Å²	31	22%	0.215	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	149.9	172.4	0	0	0	0	0	108.9	N282 Q283 L290 I292 S308 V309	N282-A286 PolarHBondContact O-N 2.79Å; N282-A286 VanDerWaalsContact O-N 3.14Å; Q283-A286 PolarHBondContact O-N 3.01Å; A286-L290 HydrophobicContact CB-CD2 4.17Å; A286-I292 HydrophobicContact CB-CD1 4.08Å; A286-S308 CarbonylContact C-O 3.59Å; A286-S308 WeakPolarHBondContact CA-O 3.32Å; A286-V309 HydrophobicContact CB-CB 3.97Å; A286-V309 HydrophobicContact CB-CG2 3.75Å
287	S	85	Confident	92	Very high	22 Å²	22	28.6 Å²	28.6	15%	0.154	15%	0.145	C	C	.	.			trans	-59.4	145.7	167.9	-58.3	0	0	0	0	110.5	Y289 L290 E307 S308	S287-Y289 VanDerWaalsContact C-N 3.26Å; S287-Y289 PolarHBondContact O-N 3.49Å; S287-Y289 VanDerWaalsContact O-N 3.13Å; S287-L290 WeakPolarHBondContact O-CB 3.21Å; S287-L290 PolarHBondContact O-N 3.27Å; S287-E307 WeakPolarHBondContact CB-OE2 3.35Å; S287-S308 PolarHBondContact N-O 3.11Å; S287-S308 PolarHBondContact OG-N 2.97Å; S287-S308 PolarHBondContact OG-O 3.08Å
288	E	78	Confident	92.1	Very high	90 Å²	90	28.8 Å²	28.8	42%	0.421	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-33.7	-166	-176.8	-176.1	173.3	0	0	114.1	E307 K470	E288-E307 PolarHBondContact N-OE2 3.38Å; E288-K470 WeakPolarHBondContact O-CE 3.26Å; E288-K470 PolarHBondContact O-NZ 3.01Å
289	Y	84.6	Confident	92.2	Very high	41 Å²	41	23.8 Å²	23.8	16%	0.161	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-1.2	-173.2	-59.8	-79.5	0	0	0	113.6	S287 K291 V303 E307 F517	S287-Y289 VanDerWaalsContact C-N 3.26Å; S287-Y289 PolarHBondContact O-N 3.49Å; S287-Y289 VanDerWaalsContact O-N 3.13Å; Y289-K291 PolarHBondContact O-N 2.75Å; Y289-V303 HydrophobicContact CD1-CG1 4.24Å; Y289-V303 HydrophobicContact CG-CG1 3.89Å; Y289-V303 HydrophobicContact CG-CG2 4.47Å; Y289-E307 WeakPolarHBondContact CA-OE2 3.33Å; Y289-E307 WeakPolarHBondContact CB-OE2 3.49Å; Y289-E307 PolarHBondContact N-OE2 3.05Å; Y289-F517 HydrophobicContact CE2-CD2 4.11Å
290	L	90.3	Very high	92.3	Very high	12 Å²	12	23.8 Å²	23.8	6%	0.063	13%	0.127	C	C	.	.			trans	-63.9	127.6	173.3	-165.3	70.4	0	0	0	110.4	A286 S287 I292 A299 E307 V309 F428	A286-L290 HydrophobicContact CB-CD2 4.17Å; S287-L290 WeakPolarHBondContact O-CB 3.21Å; S287-L290 PolarHBondContact O-N 3.27Å; L290-I292 HydrophobicContact CD2-CD1 4.5Å; L290-I292 HydrophobicContact CD2-CG1 4.3Å; L290-I292 HydrophobicContact CG-CG1 4.48Å; L290-A299 HydrophobicContact CD1-CB 4.33Å; L290-A299 HydrophobicContact CD2-CB 4.09Å; L290-A299 HydrophobicContact CG-CB 4.25Å; L290-E307 HydrophobicContact CB-CB 4.11Å; L290-E307 HydrophobicContact CD1-CB 3.79Å; L290-E307 PolarHBondContact N-OE2 3.38Å; L290-E307 VanDerWaalsContact N-OE2 3.11Å; L290-V309 HydrophobicContact CD2-CB 3.6Å; L290-V309 HydrophobicContact CD2-CG1 3.57Å; L290-V309 HydrophobicContact CD2-CG2 4.37Å; L290-F428 HydrophobicContact CD1-CB 4.4Å; L290-F428 HydrophobicContact CD1-CD2 3.65Å; L290-F428 HydrophobicContact CD1-CE2 4.18Å; L290-F428 HydrophobicContact CD1-CG 4.15Å; L290-F428 HydrophobicContact CD2-CE2 4.48Å
291	K	94.7	Very high	92.2	Very high	7 Å²	7	23.7 Å²	23.7	3%	0.03	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	129.1	171.7	-59.4	-178.1	177.3	171.3	0	108.3	E190 F250 W254 Y289 A299 R300 D302	E190-K291 IonicContact OE1-NZ 2.82Å; E190-K291 PolarHBondContact OE1-NZ 3.02Å; E190-K291 WeakPolarHBondContact OE2-CE 3.31Å; E190-K291 IonicContact OE2-NZ 2.65Å; E190-K291 PolarHBondContact OE2-NZ 3.15Å; F250-K291 HydrophobicContact CE1-CB 3.62Å; F250-K291 HydrophobicContact CE1-CD 4.2Å; F250-K291 HydrophobicContact CZ-CB 3.86Å; W254-K291 HydrophobicContact CB-CD 4.44Å; W254-K291 HydrophobicContact CD2-CD 3.72Å; W254-K291 HydrophobicContact CD2-CG 3.87Å; W254-K291 HydrophobicContact CE3-CD 4.01Å; W254-K291 HydrophobicContact CE3-CG 4.48Å; W254-K291 HydrophobicContact CG-CB 4.22Å; W254-K291 HydrophobicContact CG-CD 3.88Å; W254-K291 HydrophobicContact CG-CG 4.05Å; W254-K291 HydrophobicContact CZ2-CG 4.18Å; Y289-K291 PolarHBondContact O-N 2.75Å; K291-A299 CarbonylContact O-C 3.19Å; K291-A299 WeakPolarHBondContact O-CA 3.48Å; K291-R300 WeakPolarHBondContact CB-O 3.37Å; K291-R300 PolarHBondContact N-O 3.25Å; K291-R300 PolarHBondContact O-N 3.41Å; K291-D302 WeakPolarHBondContact CD-OD2 3.27Å; K291-D302 VanDerWaalsContact CE-OD2 3.26Å; K291-D302 WeakPolarHBondContact CE-OD2 3.44Å; K291-D302 IonicContact NZ-OD2 3.23Å; K291-D302 PolarHBondContact NZ-OD2 3.4Å
292	I	95.7	Very high	92	Very high	14 Å²	14	24 Å²	24	7%	0.072	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	136.6	174.8	-61.1	175	0	0	0	108	L281 Q283 A286 L290 E298 I467	L281-I292 HydrophobicContact CB-CD1 4.24Å; L281-I292 HydrophobicContact CB-CG2 4.43Å; Q283-I292 HydrophobicContact CB-CD1 4.1Å; A286-I292 HydrophobicContact CB-CD1 4.08Å; L290-I292 HydrophobicContact CD2-CD1 4.5Å; L290-I292 HydrophobicContact CD2-CG1 4.3Å; L290-I292 HydrophobicContact CG-CG1 4.48Å; I292-E298 CarbonylContact C-O 3.57Å; I292-E298 WeakPolarHBondContact CA-O 3.01Å; I292-I467 HydrophobicContact CB-CG2 4.33Å; I292-I467 HydrophobicContact CG2-CD1 4.04Å; I292-I467 HydrophobicContact CG2-CG1 4.29Å; I292-I467 HydrophobicContact CG2-CG2 4.22Å
293	S	96.6	Very high	91.7	Very high	11 Å²	11	23.8 Å²	23.8	8%	0.077	13%	0.128	C	C	.	.			trans	-62.9	158.7	176.3	53.2	0	0	0	0	112	D295 G296 L297 E298	S293-D295 WeakPolarHBondContact CB-OD1 3Å; S293-D295 PolarHBondContact O-N 3.3Å; S293-D295 VanDerWaalsContact O-N 3.17Å; S293-D295 PolarHBondContact OG-OD1 2.68Å; S293-G296 WeakPolarHBondContact O-CA 3.48Å; S293-G296 PolarHBondContact O-N 2.99Å; S293-L297 PolarHBondContact OG-N 3.49Å; S293-E298 PolarHBondContact N-O 2.77Å; S293-E298 WeakPolarHBondContact OG-CB 3.17Å; S293-E298 PolarHBondContact OG-N 3.01Å; S293-E298 PolarHBondContact OG-O 2.98Å
294	A	94	Very high	91.5	Very high	12 Å²	12	23 Å²	23	10%	0.099	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.7	177.3	0	0	0	0	0	114	A268 E272 G296	A268-A294 HydrophobicContact CB-CB 3.67Å; E272-A294 HydrophobicContact CG-CB 3.68Å; A294-G296 VanDerWaalsContact C-N 3.3Å
295	D	94.7	Very high	91.3	Very high	7 Å²	7	17.4 Å²	17.4	4%	0.037	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-3.7	175.3	73.9	-12.9	0	0	0	113.8	M274 S293 L297 R435	M274-D295 WeakPolarHBondContact CE-O 3.25Å; M274-D295 HydrophobicContact SD-CB 4.38Å; S293-D295 WeakPolarHBondContact CB-OD1 3Å; S293-D295 PolarHBondContact O-N 3.3Å; S293-D295 VanDerWaalsContact O-N 3.17Å; S293-D295 PolarHBondContact OG-OD1 2.68Å; D295-L297 VanDerWaalsContact C-N 3.25Å; D295-L297 PolarHBondContact O-N 3.4Å; D295-L297 PolarHBondContact OD1-N 2.87Å; D295-R435 IonicContact OD1-NH1 3.48Å; D295-R435 IonicContact OD2-CZ 3.82Å; D295-R435 VanDerWaalsContact OD2-CZ 3.3Å; D295-R435 IonicContact OD2-NH1 2.63Å; D295-R435 PolarHBondContact OD2-NH1 3.48Å; D295-R435 IonicContact OD2-NH2 2.9Å; D295-R435 PolarHBondContact OD2-NH2 3.35Å
296	G	96	Very high	91.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	71.8	10.9	178.1	0	0	0	0	0	115.2	L280 L281 S293 A294	L280-G296 WeakPolarHBondContact CB-O 3.18Å; L281-G296 WeakPolarHBondContact CB-O 3.17Å; L281-G296 WeakPolarHBondContact CG-O 3.48Å; L281-G296 PolarHBondContact N-O 2.66Å; S293-G296 WeakPolarHBondContact O-CA 3.48Å; S293-G296 PolarHBondContact O-N 2.99Å; A294-G296 VanDerWaalsContact C-N 3.3Å
297	L	97.7	Very high	91.4	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.01	8%	0.079	C	C	.	.			trans	-111.7	-3.6	-171.6	-65.7	177.8	0	0	0	113.9	L280 S293 D295 R435 F436 F438 K440	L280-L297 HydrophobicContact CB-CD2 4.38Å; S293-L297 PolarHBondContact OG-N 3.49Å; D295-L297 VanDerWaalsContact C-N 3.25Å; D295-L297 PolarHBondContact O-N 3.4Å; D295-L297 PolarHBondContact OD1-N 2.87Å; L297-R435 CarbonylContact O-C 3.57Å; L297-R435 WeakPolarHBondContact O-CA 3.45Å; L297-F436 PolarHBondContact O-N 3.32Å; L297-F438 HydrophobicContact CD2-CD2 3.6Å; L297-F438 HydrophobicContact CD2-CE2 4.07Å; L297-K440 HydrophobicContact CD1-CD 3.7Å
298	E	98.4	Very high	91.9	Very high	4 Å²	4	13.7 Å²	13.7	2%	0.019	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	135.1	-179.7	-173.7	161.6	-178.1	0	0	109.9	R246 F250 I292 S293 Q433 C434 R435	R246-E298 IonicContact CZ-OE1 2.9Å; R246-E298 IonicContact CZ-OE2 2.97Å; R246-E298 IonicContact NE-OE1 2.98Å; R246-E298 PolarHBondContact NE-OE1 3.46Å; R246-E298 IonicContact NE-OE2 3.37Å; R246-E298 PolarHBondContact NE-OE2 2.83Å; R246-E298 IonicContact NH2-OE1 3.91Å; R246-E298 IonicContact NH2-OE2 2.67Å; R246-E298 PolarHBondContact NH2-OE2 2.65Å; F250-E298 HydrophobicContact CD2-CG 4Å; F250-E298 HydrophobicContact CE2-CB 4.16Å; F250-E298 HydrophobicContact CE2-CG 3.92Å; I292-E298 CarbonylContact C-O 3.57Å; I292-E298 WeakPolarHBondContact CA-O 3.01Å; S293-E298 PolarHBondContact N-O 2.77Å; S293-E298 WeakPolarHBondContact OG-CB 3.17Å; S293-E298 PolarHBondContact OG-N 3.01Å; S293-E298 PolarHBondContact OG-O 2.98Å; E298-Q433 HydrophobicContact CG-CG 4.29Å; E298-Q433 PolarHBondContact OE1-NE2 3.16Å; E298-C434 WeakPolarHBondContact CA-O 3.26Å; E298-R435 HydrophobicContact CB-CB 4.12Å; E298-R435 HydrophobicContact CB-CG 4.32Å; E298-R435 HydrophobicContact CG-CB 4.04Å; E298-R435 IonicContact OE2-NH1 2.94Å
299	A	98.4	Very high	92.7	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	148.5	-178.8	0	0	0	0	0	111.7	L281 L290 K291 F428 Q433 C434	L281-A299 HydrophobicContact CD1-CB 3.5Å; L281-A299 VanDerWaalsContact CD1-CB 3.5Å; L290-A299 HydrophobicContact CD1-CB 4.33Å; L290-A299 HydrophobicContact CD2-CB 4.09Å; L290-A299 HydrophobicContact CG-CB 4.25Å; K291-A299 CarbonylContact O-C 3.19Å; K291-A299 WeakPolarHBondContact O-CA 3.48Å; A299-F428 HydrophobicContact CB-CE1 4.45Å; A299-F428 HydrophobicContact CB-CE2 4.04Å; A299-F428 HydrophobicContact CB-CZ 3.82Å; A299-Q433 VanDerWaalsContact O-CA 3.25Å; A299-Q433 WeakPolarHBondContact O-CA 3.36Å; A299-Q433 WeakPolarHBondContact O-CG 3.42Å; A299-C434 PolarHBondContact N-O 3.45Å; A299-C434 PolarHBondContact O-N 3.44Å; A299-C434 VanDerWaalsContact O-N 3.1Å
300	R	97.9	Very high	93.3	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	139.5	177	180	-176.8	177.8	89.2	10	110.9	Q247 F250 C251 K291 D302 Q432 Q433	Q247-R300 VanDerWaalsContact OE1-NH1 3.07Å; F250-R300 HydrophobicContact CD1-CB 4.16Å; F250-R300 HydrophobicContact CE1-CB 3.55Å; F250-R300 HydrophobicContact CE1-CG 4.43Å; F250-R300 HydrophobicContact CZ-CB 3.98Å; C251-R300 WeakPolarHBondContact SG-CD 3.38Å; C251-R300 PolarHBondContact SG-NE 3.24Å; C251-R300 VanDerWaalsContact SG-NE 3.41Å; K291-R300 WeakPolarHBondContact CB-O 3.37Å; K291-R300 PolarHBondContact N-O 3.25Å; K291-R300 PolarHBondContact O-N 3.41Å; R300-D302 IonicContact CZ-OD1 2.86Å; R300-D302 VanDerWaalsContact CZ-OD1 3.23Å; R300-D302 IonicContact NE-OD1 2.72Å; R300-D302 PolarHBondContact NE-OD1 2.88Å; R300-D302 IonicContact NE-OD2 3.19Å; R300-D302 PolarHBondContact NE-OD2 3.4Å; R300-D302 IonicContact NH2-OD1 2.91Å; R300-D302 PolarHBondContact NH2-OD1 3.28Å; R300-Q432 CarbonylContact C-O 3.36Å; R300-Q432 WeakPolarHBondContact CA-O 3.09Å; R300-Q432 WeakPolarHBondContact CG-O 3.45Å; R300-Q433 HydrophobicContact CB-CB 3.99Å; R300-Q433 HydrophobicContact CB-CG 4.02Å; R300-Q433 HydrophobicContact CG-CB 4.03Å; R300-Q433 HydrophobicContact CG-CG 4.47Å
301	S	94.9	Very high	93.7	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.045	C	C	.	.			trans	-105.8	139.4	165.3	-177.1	0	0	0	0	110.4	V303 E307 F431 Q432	S301-V303 PolarHBondContact OG-N 3.05Å; S301-V303 PolarHBondContact OG-O 2.93Å; S301-E307 WeakPolarHBondContact OG-CG 3.33Å; S301-F431 WeakPolarHBondContact O-CA 3.45Å; S301-F431 PolarHBondContact O-N 3.49Å; S301-Q432 PolarHBondContact N-O 3.45Å; S301-Q432 PolarHBondContact O-N 2.82Å
302	D	93.3	Very high	93.7	Very high	9 Å²	9	8.6 Å²	8.6	5%	0.048	5%	0.05	C	C	.	.			trans	-124.9	4.1	171	-66.3	-59.5	0	0	0	112	K147 L187 K291 R300 F431	K147-D302 WeakPolarHBondContact CE-O 3.46Å; K147-D302 PolarHBondContact NZ-O 3.13Å; L187-D302 HydrophobicContact CD1-CB 4.39Å; L187-D302 WeakPolarHBondContact CD1-OD1 3.42Å; L187-D302 HydrophobicContact CD2-CB 4.11Å; L187-D302 VanDerWaalsContact CD2-CG 3.46Å; L187-D302 VanDerWaalsContact CD2-OD2 3.29Å; L187-D302 WeakPolarHBondContact CD2-OD2 3.33Å; K291-D302 WeakPolarHBondContact CD-OD2 3.27Å; K291-D302 VanDerWaalsContact CE-OD2 3.26Å; K291-D302 WeakPolarHBondContact CE-OD2 3.44Å; K291-D302 IonicContact NZ-OD2 3.23Å; K291-D302 PolarHBondContact NZ-OD2 3.4Å; R300-D302 IonicContact CZ-OD1 2.86Å; R300-D302 VanDerWaalsContact CZ-OD1 3.23Å; R300-D302 IonicContact NE-OD1 2.72Å; R300-D302 PolarHBondContact NE-OD1 2.88Å; R300-D302 IonicContact NE-OD2 3.19Å; R300-D302 PolarHBondContact NE-OD2 3.4Å; R300-D302 IonicContact NH2-OD1 2.91Å; R300-D302 PolarHBondContact NH2-OD1 3.28Å; D302-F431 HydrophobicContact CB-CD1 4.45Å; D302-F431 WeakPolarHBondContact OD1-CD1 3.35Å
303	V	86.4	Confident	93.7	Very high	22 Å²	22	9.8 Å²	9.8	13%	0.133	6%	0.055	C	C	.	.	S	Bend	trans	-95.2	158.5	174	-65.5	0	0	0	0	110.1	Y289 S301 C305 E307 T430	Y289-V303 HydrophobicContact CD1-CG1 4.24Å; Y289-V303 HydrophobicContact CG-CG1 3.89Å; Y289-V303 HydrophobicContact CG-CG2 4.47Å; S301-V303 PolarHBondContact OG-N 3.05Å; S301-V303 PolarHBondContact OG-O 2.93Å; V303-C305 HydrophobicContact CG2-CB 4.38Å; V303-C305 PolarHBondContact O-N 3.2Å; V303-E307 HydrophobicContact CG2-CG 3.47Å; V303-E307 VanDerWaalsContact CG2-CG 3.47Å; V303-T430 WeakPolarHBondContact O-CA 3.08Å; V303-T430 WeakPolarHBondContact O-CB 3.29Å
304	S	82.4	Confident	93.7	Very high	27 Å²	27	11.7 Å²	11.7	19%	0.189	6%	0.063	C	C	.	.	S	Bend	trans	-65.6	-23.8	179.1	53	0	0	0	0	114.1	D108	D108-S304 PolarHBondContact OD1-OG 3.47Å; D108-S304 WeakPolarHBondContact OD2-CB 3.2Å
305	C	82.2	Confident	93.9	Very high	12 Å²	12	11.1 Å²	11.1	8%	0.081	6%	0.058	C	C	.	.	S	Bend	trans	-73.9	156.3	179	-81.7	0	0	0	0	114.2	V303 E307 N345 F517	V303-C305 HydrophobicContact CG2-CB 4.38Å; V303-C305 PolarHBondContact O-N 3.2Å; C305-E307 VanDerWaalsContact C-N 3.31Å; C305-E307 PolarHBondContact O-N 3.44Å; C305-N345 HydrophobicContact CB-CB 4.28Å; C305-N345 WeakPolarHBondContact CB-O 3.18Å; C305-N345 PolarHBondContact SG-O 3.41Å; C305-N345 VanDerWaalsContact SG-O 3.38Å; C305-F517 HydrophobicContact CB-CE2 3.85Å; C305-F517 HydrophobicContact CB-CZ 3.84Å; C305-F517 WeakPolarHBondContact SG-CE2 3.19Å; C305-F517 WeakPolarHBondContact SG-CZ 3.42Å
306	F	86.9	Confident	94	Very high	16 Å²	16	13.7 Å²	13.7	7%	0.07	7%	0.072	C	C	.	.			trans	-85.5	77.8	-176.4	-158.3	-153.1	0	0	0	110.3	S308 Q333 N345 G348 S427 F428 M429	F306-S308 PolarHBondContact O-OG 3.16Å; F306-Q333 HydrophobicContact CE1-CG 4.29Å; F306-Q333 HydrophobicContact CZ-CB 4.02Å; F306-Q333 HydrophobicContact CZ-CG 3.87Å; F306-N345 PolarHBondContact N-O 3.46Å; F306-N345 VanDerWaalsContact N-O 3.12Å; F306-N345 VanDerWaalsContact O-CB 3.23Å; F306-N345 WeakPolarHBondContact O-CB 3.15Å; F306-G348 WeakPolarHBondContact CD1-O 2.81Å; F306-S427 VanDerWaalsContact CE2-C 3.42Å; F306-S427 WeakPolarHBondContact CE2-O 3.4Å; F306-S427 VanDerWaalsContact CZ-CB 3.47Å; F306-F428 WeakPolarHBondContact CD2-O 3.49Å; F306-M429 HydrophobicContact CD2-CB 4.43Å; F306-M429 HydrophobicContact CE2-CB 4.45Å
307	E	91.9	Very high	94.1	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	133.5	-175.2	-63.5	-64.9	102.1	0	0	110.7	S287 E288 Y289 L290 S301 V303 C305 N345 S427 F428	S287-E307 WeakPolarHBondContact CB-OE2 3.35Å; E288-E307 PolarHBondContact N-OE2 3.38Å; Y289-E307 WeakPolarHBondContact CA-OE2 3.33Å; Y289-E307 WeakPolarHBondContact CB-OE2 3.49Å; Y289-E307 PolarHBondContact N-OE2 3.05Å; L290-E307 HydrophobicContact CB-CB 4.11Å; L290-E307 HydrophobicContact CD1-CB 3.79Å; L290-E307 PolarHBondContact N-OE2 3.38Å; L290-E307 VanDerWaalsContact N-OE2 3.11Å; S301-E307 WeakPolarHBondContact OG-CG 3.33Å; V303-E307 HydrophobicContact CG2-CG 3.47Å; V303-E307 VanDerWaalsContact CG2-CG 3.47Å; C305-E307 VanDerWaalsContact C-N 3.31Å; C305-E307 PolarHBondContact O-N 3.44Å; E307-N345 PolarHBondContact OE1-ND2 3.41Å; E307-S427 CarbonylContact O-C 3.49Å; E307-S427 VanDerWaalsContact O-CA 3.28Å; E307-S427 WeakPolarHBondContact O-CA 3.5Å; E307-F428 PolarHBondContact N-O 2.96Å; E307-F428 WeakPolarHBondContact O-CD2 3.38Å; E307-F428 PolarHBondContact O-N 3.3Å
308	S	95.1	Very high	94.1	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.007	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	157	-173.3	-52.4	0	0	0	0	111.7	A286 S287 F306 F343 A426 S427	A286-S308 CarbonylContact C-O 3.59Å; A286-S308 WeakPolarHBondContact CA-O 3.32Å; S287-S308 PolarHBondContact N-O 3.11Å; S287-S308 PolarHBondContact OG-N 2.97Å; S287-S308 PolarHBondContact OG-O 3.08Å; F306-S308 PolarHBondContact O-OG 3.16Å; S308-F343 VanDerWaalsContact CB-CG 3.48Å; S308-A426 CarbonylContact C-O 3.49Å; S308-A426 WeakPolarHBondContact CA-O 3.37Å; S308-S427 WeakPolarHBondContact CB-OG 3.46Å; S308-S427 PolarHBondContact OG-OG 3.4Å
309	V	95.7	Very high	94.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	144.2	176	60.3	0	0	0	0	111.2	L281 A286 L290 A425 A426 F428	L281-V309 HydrophobicContact CB-CG2 4.03Å; L281-V309 HydrophobicContact CD2-CG1 4.01Å; L281-V309 HydrophobicContact CD2-CG2 4.39Å; A286-V309 HydrophobicContact CB-CB 3.97Å; A286-V309 HydrophobicContact CB-CG2 3.75Å; L290-V309 HydrophobicContact CD2-CB 3.6Å; L290-V309 HydrophobicContact CD2-CG1 3.57Å; L290-V309 HydrophobicContact CD2-CG2 4.37Å; V309-A425 CarbonylContact O-C 3.51Å; V309-A425 WeakPolarHBondContact O-CA 3.43Å; V309-A426 PolarHBondContact N-O 3.42Å; V309-A426 PolarHBondContact O-N 3.08Å; V309-F428 HydrophobicContact CG1-CE2 4.11Å
310	R	97.2	Very high	94.2	Very high	21 Å²	21	20.9 Å²	20.9	8%	0.079	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	154.5	164.3	-76.5	174	-73.1	-125.2	-8.3	110.5	N282 D285 A337 T338 S341 F343 Y423 A424 A425	N282-R310 WeakPolarHBondContact CB-O 3.34Å; N282-R310 PolarHBondContact N-O 3.06Å; D285-R310 PolarHBondContact O-N 2.88Å; D285-R310 IonicContact OD1-CZ 2.71Å; D285-R310 IonicContact OD1-NE 3.17Å; D285-R310 IonicContact OD1-NH2 2.76Å; D285-R310 PolarHBondContact OD1-NH2 3.43Å; D285-R310 IonicContact OD2-CZ 3.26Å; D285-R310 IonicContact OD2-NE 3.41Å; D285-R310 PolarHBondContact OD2-NE 2.84Å; D285-R310 IonicContact OD2-NH2 3.88Å; D285-R310 PolarHBondContact OD2-NH2 2.94Å; R310-A337 HydrophobicContact CG-CB 4.3Å; R310-T338 PolarHBondContact NH1-O 3.14Å; R310-S341 PolarHBondContact NH1-O 2.85Å; R310-F343 HydrophobicContact CG-CE2 4.01Å; R310-F343 HydrophobicContact CG-CZ 4.12Å; R310-Y423 HydrophobicContact CB-CG 4.4Å; R310-A424 CarbonylContact C-O 3.5Å; R310-A424 WeakPolarHBondContact CA-O 3.4Å; R310-A425 HydrophobicContact CG-CB 3.99Å
311	C	97.1	Very high	94.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	173.8	170.4	79.5	0	0	0	0	111.5	L280 F313 Y423 A424 F438	L280-C311 CarbonylContact O-C 3.47Å; L280-C311 VanDerWaalsContact O-CA 3.25Å; L280-C311 WeakPolarHBondContact O-CA 3.33Å; L280-C311 WeakPolarHBondContact O-CB 3.38Å; C311-F313 PolarHBondContact SG-O 3.44Å; C311-F313 VanDerWaalsContact SG-O 3.32Å; C311-Y423 VanDerWaalsContact O-CD1 3.25Å; C311-Y423 WeakPolarHBondContact O-CD1 3.46Å; C311-A424 HydrophobicContact CB-CB 4.14Å; C311-A424 PolarHBondContact N-O 2.98Å; C311-A424 PolarHBondContact SG-N 3.05Å; C311-F438 HydrophobicContact CB-CE1 4.07Å; C311-F438 HydrophobicContact CB-CE2 4.17Å; C311-F438 HydrophobicContact CB-CZ 3.63Å
312	T	95.3	Very high	94.4	Very high	22 Å²	22	21 Å²	21	14%	0.135	11%	0.112	C	C	.	.	S	Bend	trans	-81.5	-9.6	-177	49.9	0	0	0	0	115.2	L280 N282 L460	L280-T312 HydrophobicContact CD1-CG2 3.48Å; L280-T312 VanDerWaalsContact CD1-CG2 3.48Å; L280-T312 HydrophobicContact CG-CG2 4.06Å; L280-T312 PolarHBondContact N-OG1 3.3Å; L280-T312 VanDerWaalsContact N-OG1 3.15Å; L280-T312 PolarHBondContact O-N 3.19Å; L280-T312 PolarHBondContact O-OG1 2.99Å; N282-T312 HydrophobicContact CB-CG2 3.77Å; T312-L460 HydrophobicContact CG2-CD2 3.84Å; T312-L460 WeakPolarHBondContact OG1-CD2 3.44Å
313	F	95.5	Very high	94.7	Very high	39 Å²	39	20.8 Å²	20.8	17%	0.171	11%	0.111	C	C	.	.			trans	-122.3	131.9	-168	-178.5	-92.6	0	0	0	112.3	A279 C311 V315 W320 Y423 F454	A279-F313 HydrophobicContact CB-CB 4.35Å; C311-F313 PolarHBondContact SG-O 3.44Å; C311-F313 VanDerWaalsContact SG-O 3.32Å; F313-V315 HydrophobicContact CD1-CG2 4.39Å; F313-V315 HydrophobicContact CE1-CG2 4.35Å; F313-W320 HydrophobicContact CD1-CZ3 4.35Å; F313-W320 HydrophobicContact CE1-CE3 4.29Å; F313-W320 AromaticContact CE1-CH2 3.46Å; F313-W320 HydrophobicContact CE1-CH2 3.46Å; F313-W320 VanDerWaalsContact CE1-CH2 3.46Å; F313-W320 HydrophobicContact CE1-CZ2 4.12Å; F313-W320 AromaticContact CE1-CZ3 3.56Å; F313-W320 HydrophobicContact CE1-CZ3 3.56Å; F313-W320 AromaticContact CZ-CH2 3.76Å; F313-W320 HydrophobicContact CZ-CH2 3.76Å; F313-W320 HydrophobicContact CZ-CZ2 4.47Å; F313-W320 HydrophobicContact CZ-CZ3 4.2Å; F313-Y423 VanDerWaalsContact O-CD1 3.3Å; F313-Y423 WeakPolarHBondContact O-CD1 3.41Å; F313-F454 HydrophobicContact CB-CD1 4.06Å; F313-F454 AromaticContact CD1-CD1 3.63Å; F313-F454 HydrophobicContact CD1-CD1 3.63Å; F313-F454 HydrophobicContact CD1-CE1 4.22Å; F313-F454 HydrophobicContact CD1-CG 4.41Å; F313-F454 HydrophobicContact CG-CD1 4.26Å
314	E	97	Very high	95.3	Very high	51 Å²	51	19.7 Å²	19.7	24%	0.238	11%	0.105	C	C	.	.			trans	-95.2	127.8	-175.7	-164.7	176.1	124.1	0	0	111.5	N316 K339 Y423	E314-N316 PolarHBondContact OE1-ND2 3.41Å; E314-N316 PolarHBondContact OE1-OD1 2.84Å; E314-K339 IonicContact OE2-NZ 2.74Å; E314-K339 PolarHBondContact OE2-NZ 3.25Å; E314-Y423 HydrophobicContact CB-CE1 3.87Å; E314-Y423 HydrophobicContact CB-CE2 4.02Å; E314-Y423 VanDerWaalsContact CB-CZ 3.49Å; E314-Y423 WeakPolarHBondContact CB-OH 3.35Å; E314-Y423 HydrophobicContact CG-CD2 4.44Å; E314-Y423 HydrophobicContact CG-CE1 4.38Å; E314-Y423 HydrophobicContact CG-CE2 3.6Å; E314-Y423 WeakPolarHBondContact CG-OH 3.36Å; E314-Y423 PolarHBondContact OE2-OH 3.09Å
315	V	97.8	Very high	96	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-96.4	118.2	174.5	170.1	0	0	0	0	109.7	F313 W320 W336 I391 V393 G421 F422 F454	F313-V315 HydrophobicContact CD1-CG2 4.39Å; F313-V315 HydrophobicContact CE1-CG2 4.35Å; V315-W320 HydrophobicContact CB-CG 4.34Å; V315-W320 HydrophobicContact CG1-CB 4.32Å; V315-W320 HydrophobicContact CG1-CD2 4.25Å; V315-W320 HydrophobicContact CG1-CG 3.69Å; V315-W320 HydrophobicContact CG2-CB 4.13Å; V315-W320 HydrophobicContact CG2-CD2 3.68Å; V315-W320 HydrophobicContact CG2-CE3 4.09Å; V315-W320 HydrophobicContact CG2-CG 3.68Å; V315-W336 HydrophobicContact CG2-CZ3 4.18Å; V315-I391 HydrophobicContact CG1-CG2 4.11Å; V315-V393 HydrophobicContact CG1-CG2 3.89Å; V315-G421 PolarHBondContact O-N 2.87Å; V315-G421 VanDerWaalsContact O-N 3.08Å; V315-F422 HydrophobicContact CB-CB 4.34Å; V315-F422 WeakPolarHBondContact CB-O 3.24Å; V315-F422 PolarHBondContact N-O 2.95Å; V315-F422 PolarHBondContact O-N 3.12Å; V315-F454 HydrophobicContact CG2-CE1 3.86Å; V315-F454 HydrophobicContact CG2-CZ 4Å
316	N	97.8	Very high	96.8	Very high	62 Å²	62	18.8 Å²	18.8	33%	0.332	10%	0.097	S	C	.	.			trans	-114.1	-23.8	-177.9	-79.7	-58.5	0	0	0	114.7	E314 Q420 G421	E314-N316 PolarHBondContact OE1-ND2 3.41Å; E314-N316 PolarHBondContact OE1-OD1 2.84Å; N316-Q420 HydrophobicContact CB-CB 4.38Å; N316-Q420 WeakPolarHBondContact OD1-CB 3.34Å; N316-Q420 PolarHBondContact OD1-NE2 3.23Å; N316-G421 PolarHBondContact OD1-N 3.05Å
317	N	97.5	Very high	97.4	Very high	111 Å²	111	18 Å²	18	59%	0.594	9%	0.094	S	C	*	.	S	Bend	trans	-159.2	159.8	-177.7	-175.1	66.5	0	0	0	110.7	W320 N394	N317-W320 PolarHBondContact O-NE1 3.39Å; N317-N394 PolarHBondContact OD1-OD1 3.38Å; N317-N394 VanDerWaalsContact OD1-OD1 3.04Å
318	G	98.1	Very high	97.7	Very high	9 Å²	9	18.3 Å²	18.3	9%	0.093	10%	0.096	C	C	.	.	S	Bend	trans	86.5	-167	177.2	0	0	0	0	0	113.6	V393 N394	G318-V393 WeakPolarHBondContact O-CB 3.28Å; G318-V393 PolarHBondContact O-N 2.88Å; G318-N394 PolarHBondContact N-OD1 2.96Å
319	V	98.7	Very high	97.7	Very high	21 Å²	21	19.7 Å²	19.7	13%	0.127	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.8	-179.2	-169.9	0	0	0	0	108.5	L390 I391 D392 F451 N452	V319-L390 HydrophobicContact CG1-CD1 4.06Å; V319-L390 HydrophobicContact CG1-CD2 4.26Å; V319-L390 HydrophobicContact CG1-CG 4.2Å; V319-I391 CarbonylContact C-O 3.52Å; V319-I391 WeakPolarHBondContact CA-O 3.4Å; V319-D392 HydrophobicContact CG1-CB 4.28Å; V319-D392 HydrophobicContact CG2-CB 4.17Å; V319-F451 HydrophobicContact CB-CB 4.38Å; V319-F451 HydrophobicContact CG1-CB 4.03Å; V319-F451 CarbonylContact O-C 3.57Å; V319-F451 WeakPolarHBondContact O-CA 3.4Å; V319-N452 PolarHBondContact O-N 3.18Å
320	W	98.8	Very high	97.6	Very high	16 Å²	16	19.7 Å²	19.7	6%	0.061	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	144.6	-175.8	-64.1	76.9	0	0	0	111	F313 V315 N317 W336 L390 I391 N452 T453 F454 Y457	F313-W320 HydrophobicContact CD1-CZ3 4.35Å; F313-W320 HydrophobicContact CE1-CE3 4.29Å; F313-W320 AromaticContact CE1-CH2 3.46Å; F313-W320 HydrophobicContact CE1-CH2 3.46Å; F313-W320 VanDerWaalsContact CE1-CH2 3.46Å; F313-W320 HydrophobicContact CE1-CZ2 4.12Å; F313-W320 AromaticContact CE1-CZ3 3.56Å; F313-W320 HydrophobicContact CE1-CZ3 3.56Å; F313-W320 AromaticContact CZ-CH2 3.76Å; F313-W320 HydrophobicContact CZ-CH2 3.76Å; F313-W320 HydrophobicContact CZ-CZ2 4.47Å; F313-W320 HydrophobicContact CZ-CZ3 4.2Å; V315-W320 HydrophobicContact CB-CG 4.34Å; V315-W320 HydrophobicContact CG1-CB 4.32Å; V315-W320 HydrophobicContact CG1-CD2 4.25Å; V315-W320 HydrophobicContact CG1-CG 3.69Å; V315-W320 HydrophobicContact CG2-CB 4.13Å; V315-W320 HydrophobicContact CG2-CD2 3.68Å; V315-W320 HydrophobicContact CG2-CE3 4.09Å; V315-W320 HydrophobicContact CG2-CG 3.68Å; N317-W320 PolarHBondContact O-NE1 3.39Å; W320-W336 HydrophobicContact CB-CH2 4.18Å; W320-L390 WeakPolarHBondContact O-CA 3.29Å; W320-I391 HydrophobicContact CB-CG2 3.92Å; W320-I391 PolarHBondContact N-O 3.01Å; W320-I391 PolarHBondContact O-N 3.26Å; W320-N452 HydrophobicContact CD2-CB 3.74Å; W320-N452 HydrophobicContact CE3-CB 3.7Å; W320-N452 HydrophobicContact CG-CB 4.41Å; W320-N452 HydrophobicContact CH2-CB 3.93Å; W320-N452 HydrophobicContact CZ2-CB 3.96Å; W320-N452 HydrophobicContact CZ3-CB 3.8Å; W320-T453 WeakPolarHBondContact CZ3-O 3.33Å; W320-F454 HydrophobicContact CE3-CD2 4.38Å; W320-Y457 HydrophobicContact CH2-CD1 4.47Å; W320-Y457 AromaticContact CH2-CD2 3.65Å; W320-Y457 HydrophobicContact CH2-CD2 3.65Å; W320-Y457 HydrophobicContact CH2-CE2 4.47Å; W320-Y457 AromaticContact CH2-CG 3.66Å; W320-Y457 HydrophobicContact CH2-CG 3.66Å; W320-Y457 AromaticContact CZ3-CD2 3.89Å; W320-Y457 HydrophobicContact CZ3-CD2 3.89Å; W320-Y457 HydrophobicContact CZ3-CG 4.24Å
321	Y	98.8	Very high	97.5	Very high	1 Å²	1	18.9 Å²	18.9	0%	0.004	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	142.5	-179	-174.7	-109.1	0	0	0	111.3	E323 G388 C389 L390 Y401 F443 Y445 P447 F451 N452	Y321-E323 HydrophobicContact CE1-CG 3.56Å; Y321-E323 PolarHBondContact OH-OE1 3.26Å; Y321-G388 WeakPolarHBondContact OH-CA 3.28Å; Y321-C389 WeakPolarHBondContact CA-O 3.39Å; Y321-C389 VanDerWaalsContact CD2-O 3.29Å; Y321-C389 WeakPolarHBondContact CD2-O 3.37Å; Y321-L390 HydrophobicContact CD2-CB 3.92Å; Y321-L390 HydrophobicContact CD2-CD1 4.37Å; Y321-Y401 HydrophobicContact CE2-CD2 4.2Å; Y321-F443 HydrophobicContact CD1-CD1 4.38Å; Y321-F443 AromaticContact CD1-CD2 3.81Å; Y321-F443 HydrophobicContact CD1-CD2 3.81Å; Y321-F443 HydrophobicContact CD1-CE1 4.38Å; Y321-F443 AromaticContact CD1-CE2 3.79Å; Y321-F443 HydrophobicContact CD1-CE2 3.79Å; Y321-F443 HydrophobicContact CD1-CG 4.12Å; Y321-F443 HydrophobicContact CD1-CZ 4.1Å; Y321-F443 HydrophobicContact CE1-CB 4.38Å; Y321-F443 HydrophobicContact CE1-CD1 4.25Å; Y321-F443 HydrophobicContact CE1-CD2 4.15Å; Y321-F443 HydrophobicContact CE1-CE2 4.5Å; Y321-F443 HydrophobicContact CE1-CG 4.02Å; Y321-Y445 PolarHBondContact OH-O 3.31Å; Y321-P447 HydrophobicContact CD1-CG 4.38Å; Y321-P447 HydrophobicContact CD2-CG 3.95Å; Y321-P447 HydrophobicContact CE2-CG 4.14Å; Y321-P447 HydrophobicContact CG-CG 4.07Å; Y321-F451 HydrophobicContact CD1-CE2 4.38Å; Y321-N452 PolarHBondContact N-O 3.48Å
322	Y	98.9	Very high	97.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	162.7	167	75	-88.8	0	0	0	110.2	I334 G335 W336 C389 A424 F436 N437 F438 F454	Y322-I334 HydrophobicContact CE2-CG2 4.32Å; Y322-G335 WeakPolarHBondContact OH-CA 3.32Å; Y322-G335 PolarHBondContact OH-N 2.84Å; Y322-G335 PolarHBondContact OH-O 2.95Å; Y322-W336 AromaticContact CD1-CH2 3.89Å; Y322-W336 HydrophobicContact CD1-CH2 3.89Å; Y322-W336 AromaticContact CD1-CZ2 3.8Å; Y322-W336 HydrophobicContact CD1-CZ2 3.8Å; Y322-W336 HydrophobicContact CE1-CD2 4.43Å; Y322-W336 AromaticContact CE1-CE2 3.91Å; Y322-W336 AromaticContact CE1-CH2 3.99Å; Y322-W336 HydrophobicContact CE1-CH2 3.99Å; Y322-W336 AromaticContact CE1-CZ2 3.67Å; Y322-W336 HydrophobicContact CE1-CZ2 3.67Å; Y322-W336 HydrophobicContact CE1-CZ3 4.49Å; Y322-C389 HydrophobicContact CD1-CB 3.8Å; Y322-C389 HydrophobicContact CD2-CB 4.43Å; Y322-C389 HydrophobicContact CE1-CB 3.28Å; Y322-C389 HydrophobicContact CE2-CB 3.97Å; Y322-C389 HydrophobicContact CG-CB 4.35Å; Y322-C389 VanDerWaalsContact CZ-SG 3.59Å; Y322-C389 PolarHBondContact N-O 3.06Å; Y322-C389 VanDerWaalsContact N-O 3.13Å; Y322-C389 PolarHBondContact O-N 2.9Å; Y322-C389 PolarHBondContact OH-SG 2.82Å; Y322-C389 VanDerWaalsContact OH-SG 3.4Å; Y322-A424 HydrophobicContact CD1-CB 3.78Å; Y322-A424 HydrophobicContact CD2-CB 4.49Å; Y322-A424 HydrophobicContact CE1-CB 3.4Å; Y322-A424 HydrophobicContact CE2-CB 4.2Å; Y322-A424 HydrophobicContact CG-CB 4.31Å; Y322-F436 HydrophobicContact CD2-CD1 4.18Å; Y322-F436 AromaticContact CE2-CD1 3.87Å; Y322-F436 HydrophobicContact CE2-CD1 3.87Å; Y322-F436 HydrophobicContact CE2-CE1 4.15Å; Y322-N437 WeakPolarHBondContact CB-O 3.42Å; Y322-F438 HydrophobicContact CD2-CE1 4.22Å; Y322-F438 HydrophobicContact CG-CD1 4.33Å; Y322-F438 HydrophobicContact CG-CE1 4.25Å; Y322-F454 AromaticContact CD1-CE2 3.81Å; Y322-F454 HydrophobicContact CD1-CE2 3.81Å; Y322-F454 HydrophobicContact CD1-CZ 4.09Å; Y322-F454 HydrophobicContact CG-CE2 4.24Å
323	E	98.9	Very high	97.6	Very high	5 Å²	5	17.8 Å²	17.8	2%	0.023	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	148.2	177.1	-73.7	-177.2	164	0	0	110.9	Y321 V386 L387 F436 N437 F443 R444 Y445	Y321-E323 HydrophobicContact CE1-CG 3.56Å; Y321-E323 PolarHBondContact OH-OE1 3.26Å; E323-V386 HydrophobicContact CB-CG1 3.68Å; E323-V386 HydrophobicContact CG-CG1 3.79Å; E323-L387 CarbonylContact C-O 3.57Å; E323-L387 VanDerWaalsContact CA-O 3.31Å; E323-L387 WeakPolarHBondContact CA-O 3.45Å; E323-F436 CarbonylContact O-C 3.59Å; E323-F436 WeakPolarHBondContact O-CA 3.33Å; E323-N437 HydrophobicContact CB-CB 4.37Å; E323-N437 PolarHBondContact N-O 3.32Å; E323-N437 VanDerWaalsContact N-O 3.1Å; E323-N437 PolarHBondContact O-N 2.97Å; E323-F443 HydrophobicContact CB-CD1 4.02Å; E323-F443 HydrophobicContact CB-CE1 4.36Å; E323-F443 HydrophobicContact CG-CB 4.46Å; E323-F443 HydrophobicContact CG-CD1 3.65Å; E323-F443 HydrophobicContact CG-CE1 4.27Å; E323-F443 HydrophobicContact CG-CG 4.32Å; E323-F443 VanDerWaalsContact OE2-CA 3.31Å; E323-F443 WeakPolarHBondContact OE2-CA 3.01Å; E323-R444 PolarHBondContact OE1-N 3.48Å; E323-R444 PolarHBondContact OE2-N 3.46Å; E323-Y445 VanDerWaalsContact OE1-C 3.3Å; E323-Y445 WeakPolarHBondContact OE1-CA 3.46Å; E323-Y445 PolarHBondContact OE1-N 3Å
324	A	98.9	Very high	97.8	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	117.7	169.1	0	0	0	0	0	109.8	I326 I334 V386 L387 R435 F436	A324-I326 PolarHBondContact O-N 2.69Å; A324-I334 HydrophobicContact CB-CD1 4.23Å; A324-I334 HydrophobicContact CB-CG2 4.3Å; A324-V386 WeakPolarHBondContact O-CA 3.5Å; A324-L387 HydrophobicContact CB-CB 4.49Å; A324-L387 PolarHBondContact N-O 3.24Å; A324-L387 PolarHBondContact O-N 2.91Å; A324-R435 CarbonylContact C-O 3.51Å; A324-R435 VanDerWaalsContact CA-O 3.28Å; A324-R435 WeakPolarHBondContact CA-O 3.37Å; A324-F436 HydrophobicContact CB-CD1 4.29Å; A324-F436 HydrophobicContact CB-CE1 4.34Å
325	L	98.8	Very high	97.9	Very high	19 Å²	19	13.5 Å²	13.5	10%	0.099	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	119.8	168.5	173.3	66.5	0	0	0	109	V327 V386 C434 R435	L325-V327 PolarHBondContact O-N 3.31Å; L325-V386 HydrophobicContact CD1-CG2 4.27Å; L325-C434 VanDerWaalsContact O-CA 3.26Å; L325-C434 WeakPolarHBondContact O-CA 3.48Å; L325-C434 VanDerWaalsContact O-CB 3.24Å; L325-C434 WeakPolarHBondContact O-CB 3.48Å; L325-R435 HydrophobicContact CB-CB 4.29Å; L325-R435 PolarHBondContact N-O 2.94Å; L325-R435 PolarHBondContact O-N 3.32Å
326	I	98.8	Very high	97.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	108.6	175.6	-54.6	-52.4	0	0	0	108.2	A324 T328 M332 I334 W381 G384 D385 L387	A324-I326 PolarHBondContact O-N 2.69Å; I326-T328 WeakPolarHBondContact CG2-O 3.38Å; I326-M332 HydrophobicContact CD1-CE 4.17Å; I326-M332 HydrophobicContact CG2-CE 4.08Å; I326-I334 HydrophobicContact CD1-CD1 3.9Å; I326-W381 HydrophobicContact CD1-CD2 4.1Å; I326-W381 HydrophobicContact CD1-CE3 3.74Å; I326-W381 HydrophobicContact CD1-CZ3 3.99Å; I326-W381 HydrophobicContact CG1-CB 4.38Å; I326-W381 HydrophobicContact CG1-CD2 4.14Å; I326-W381 HydrophobicContact CG1-CE3 4.06Å; I326-W381 HydrophobicContact CG1-CG 4.32Å; I326-W381 HydrophobicContact CG2-CD2 4.32Å; I326-W381 HydrophobicContact CG2-CG 4.1Å; I326-G384 PolarHBondContact O-N 2.86Å; I326-D385 WeakPolarHBondContact CB-O 3.34Å; I326-D385 HydrophobicContact CG1-CB 4.45Å; I326-D385 PolarHBondContact N-O 3.39Å; I326-L387 HydrophobicContact CD1-CB 4.39Å
327	V	98.5	Very high	97.9	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.006	6%	0.06	C	C	.	.	S	Bend	trans	-86	-39.1	176.7	177.7	0	0	0	0	109.9	L243 Q247 L325 A383 Q433	L243-V327 HydrophobicContact CB-CG1 4.3Å; L243-V327 HydrophobicContact CD2-CG1 4.36Å; Q247-V327 HydrophobicContact CG-CG1 3.74Å; L325-V327 PolarHBondContact O-N 3.31Å; V327-A383 WeakPolarHBondContact O-CB 3.4Å; V327-Q433 HydrophobicContact CB-CB 4.1Å; V327-Q433 HydrophobicContact CB-CG 3.91Å; V327-Q433 WeakPolarHBondContact CB-O 3.39Å; V327-Q433 HydrophobicContact CG1-CB 4.27Å; V327-Q433 HydrophobicContact CG1-CG 4.02Å; V327-Q433 HydrophobicContact CG2-CG 4.25Å; V327-Q433 PolarHBondContact N-O 3.27Å; V327-Q433 VanDerWaalsContact N-O 3.15Å
328	T	97.8	Very high	97.9	Very high	6 Å²	6	5.3 Å²	5.3	4%	0.037	3%	0.031	C	C	.	.	S	Bend	trans	-120.8	137.3	173.2	60.6	0	0	0	0	111.2	Q247 I326 G330 M332 Q432 Q433	Q247-T328 HydrophobicContact CG-CG2 4.12Å; I326-T328 WeakPolarHBondContact CG2-O 3.38Å; T328-G330 VanDerWaalsContact C-N 3.31Å; T328-G330 PolarHBondContact O-N 2.98Å; T328-M332 WeakPolarHBondContact O-CE 3.47Å; T328-Q432 WeakPolarHBondContact OG1-CA 3.3Å; T328-Q432 PolarHBondContact OG1-OE1 3.31Å; T328-Q433 HydrophobicContact CG2-CB 4.16Å; T328-Q433 PolarHBondContact N-O 2.88Å; T328-Q433 VanDerWaalsContact N-O 3.14Å; T328-Q433 PolarHBondContact OG1-N 3.12Å; T328-Q433 PolarHBondContact OG1-O 3.31Å
329	P	96	Very high	97.8	Very high	30 Å²	30	10.9 Å²	10.9	20%	0.195	5%	0.053	C	C	.	.			trans	-88.9	16.5	-172.5	32	-31.7	0	0	0	114.9	P97 C363 W381	P97-P329 HydrophobicContact CB-CB 4.25Å; P97-P329 HydrophobicContact CB-CG 3.87Å; P97-P329 WeakPolarHBondContact CB-O 3.45Å; P97-P329 HydrophobicContact CG-CB 4.19Å; P97-P329 HydrophobicContact CG-CG 3.81Å; P329-C363 PolarHBondContact O-SG 2.91Å; P329-W381 VanDerWaalsContact C-NE1 3.34Å; P329-W381 PolarHBondContact O-NE1 3.45Å; P329-W381 VanDerWaalsContact O-NE1 3.12Å
330	G	94.6	Very high	97.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.071	C	C	.	.	S	Bend	trans	-83.2	-161.4	-179.9	0	0	0	0	0	113	T328 M332 C363 W381	T328-G330 VanDerWaalsContact C-N 3.31Å; T328-G330 PolarHBondContact O-N 2.98Å; G330-M332 PolarHBondContact O-N 2.91Å; G330-C363 VanDerWaalsContact O-CB 3.26Å; G330-C363 WeakPolarHBondContact O-CB 3.16Å; G330-W381 WeakPolarHBondContact O-CZ2 2.96Å; G330-W381 PolarHBondContact O-NE1 3.42Å; G330-W381 VanDerWaalsContact O-NE1 3.1Å
331	I	94	Very high	97.3	Very high	3 Å²	3	14.4 Å²	14.4	2%	0.015	7%	0.069	C	C	.	.	S	Bend	trans	-77.1	111	-170.3	-65.9	168.6	0	0	0	110.6	I54 I98 C363 R364 M429 Q432	I54-I331 HydrophobicContact CG2-CD1 4.13Å; I98-I331 HydrophobicContact CD1-CD1 4.22Å; I98-I331 HydrophobicContact CD1-CG1 4.42Å; I98-I331 HydrophobicContact CG1-CD1 4.32Å; I98-I331 HydrophobicContact CG1-CG1 4.37Å; I331-C363 HydrophobicContact CG1-CB 4.26Å; I331-R364 HydrophobicContact CG1-CG 4.41Å; I331-M429 HydrophobicContact CB-CB 4.03Å; I331-M429 HydrophobicContact CB-CE 4.16Å; I331-M429 HydrophobicContact CB-SD 3.85Å; I331-M429 HydrophobicContact CD1-CE 3.8Å; I331-M429 HydrophobicContact CD1-SD 3.74Å; I331-M429 HydrophobicContact CG1-SD 4.27Å; I331-M429 HydrophobicContact CG2-CB 4.25Å; I331-M429 HydrophobicContact CG2-CE 3.98Å; I331-M429 HydrophobicContact CG2-SD 4.31Å; I331-M429 WeakPolarHBondContact O-CB 3.25Å; I331-M429 PolarHBondContact O-N 2.75Å; I331-M429 VanDerWaalsContact O-N 3.14Å; I331-Q432 WeakPolarHBondContact O-CG 2.84Å
332	M	97.2	Very high	96.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	152.5	170.3	-64	176.1	-73.7	0	0	108.1	I326 T328 G330 I334 D361 W381 S427 F428 Q432 C434	I326-M332 HydrophobicContact CD1-CE 4.17Å; I326-M332 HydrophobicContact CG2-CE 4.08Å; T328-M332 WeakPolarHBondContact O-CE 3.47Å; G330-M332 PolarHBondContact O-N 2.91Å; M332-I334 HydrophobicContact CB-CD1 4.42Å; M332-I334 HydrophobicContact CB-CG1 4.28Å; M332-D361 VanDerWaalsContact O-CA 3.23Å; M332-D361 WeakPolarHBondContact O-CA 3.2Å; M332-D361 WeakPolarHBondContact O-CB 3.31Å; M332-W381 HydrophobicContact CB-CH2 3.93Å; M332-W381 HydrophobicContact CB-CZ2 3.87Å; M332-W381 HydrophobicContact CE-CH2 4.4Å; M332-W381 HydrophobicContact CE-CZ2 3.88Å; M332-W381 WeakPolarHBondContact O-CH2 3.43Å; M332-S427 CarbonylContact C-O 3.55Å; M332-S427 VanDerWaalsContact CA-O 3.25Å; M332-S427 WeakPolarHBondContact CA-O 3.38Å; M332-F428 HydrophobicContact CG-CD1 3.94Å; M332-F428 HydrophobicContact CG-CE1 4.49Å; M332-F428 HydrophobicContact SD-CD1 3.65Å; M332-F428 HydrophobicContact SD-CE1 3.75Å; M332-Q432 HydrophobicContact CG-CB 3.53Å; M332-Q432 HydrophobicContact CG-CG 4.03Å; M332-Q432 HydrophobicContact SD-CB 3.84Å; M332-C434 HydrophobicContact CE-CB 4.44Å; M332-C434 HydrophobicContact SD-CB 4.09Å
333	Q	97.6	Very high	96	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	109.5	172.2	-82.7	174.1	-15.2	0	0	107.5	F306 V351 A359 D361 W368 A426 S427	F306-Q333 HydrophobicContact CE1-CG 4.29Å; F306-Q333 HydrophobicContact CZ-CB 4.02Å; F306-Q333 HydrophobicContact CZ-CG 3.87Å; Q333-V351 PolarHBondContact OE1-O 3.45Å; Q333-A359 HydrophobicContact CB-CB 3.55Å; Q333-A359 HydrophobicContact CG-CB 4.13Å; Q333-D361 HydrophobicContact CG-CB 4.39Å; Q333-W368 HydrophobicContact CG-CG 4.19Å; Q333-A426 CarbonylContact O-C 3.51Å; Q333-A426 WeakPolarHBondContact O-CA 3.28Å; Q333-S427 PolarHBondContact N-O 3.25Å; Q333-S427 PolarHBondContact O-N 3.45Å
334	I	98.8	Very high	95.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.3	-176.3	-55.2	169.7	0	0	0	109.4	Y322 A324 I326 M332 A359 Y360 W381 L387 F400 A426 C434 F436	Y322-I334 HydrophobicContact CE2-CG2 4.32Å; A324-I334 HydrophobicContact CB-CD1 4.23Å; A324-I334 HydrophobicContact CB-CG2 4.3Å; I326-I334 HydrophobicContact CD1-CD1 3.9Å; M332-I334 HydrophobicContact CB-CD1 4.42Å; M332-I334 HydrophobicContact CB-CG1 4.28Å; I334-A359 WeakPolarHBondContact O-CA 3Å; I334-Y360 PolarHBondContact N-O 2.78Å; I334-Y360 PolarHBondContact O-N 3.23Å; I334-W381 HydrophobicContact CD1-CH2 4.26Å; I334-W381 HydrophobicContact CD1-CZ3 4.31Å; I334-L387 HydrophobicContact CB-CD2 3.6Å; I334-L387 HydrophobicContact CD1-CD2 4.15Å; I334-L387 HydrophobicContact CG1-CD2 4.43Å; I334-L387 HydrophobicContact CG2-CD2 3.75Å; I334-F400 WeakPolarHBondContact O-CE1 3.49Å; I334-A426 HydrophobicContact CB-CB 4.49Å; I334-A426 HydrophobicContact CG1-CB 4.01Å; I334-A426 HydrophobicContact CG2-CB 4.49Å; I334-C434 HydrophobicContact CD1-CB 4.48Å; I334-F436 HydrophobicContact CG2-CE1 4.14Å
335	G	98.7	Very high	93.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.2	-127.6	177.3	0	0	0	0	0	113.8	Y322 I358 A424 A425	Y322-G335 WeakPolarHBondContact OH-CA 3.32Å; Y322-G335 PolarHBondContact OH-N 2.84Å; Y322-G335 PolarHBondContact OH-O 2.95Å; G335-I358 CarbonylContact C-O 3.48Å; G335-I358 WeakPolarHBondContact CA-O 3.39Å; G335-A424 WeakPolarHBondContact O-CA 3.2Å; G335-A425 PolarHBondContact N-O 2.91Å; G335-A425 PolarHBondContact O-N 3.48Å
336	W	98.7	Very high	92.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	139.4	-169.7	-57.6	89.9	0	0	0	111.2	V315 W320 Y322 S357 I358 C389 I391 F422 Y423 F454	V315-W336 HydrophobicContact CG2-CZ3 4.18Å; W320-W336 HydrophobicContact CB-CH2 4.18Å; Y322-W336 AromaticContact CD1-CH2 3.89Å; Y322-W336 HydrophobicContact CD1-CH2 3.89Å; Y322-W336 AromaticContact CD1-CZ2 3.8Å; Y322-W336 HydrophobicContact CD1-CZ2 3.8Å; Y322-W336 HydrophobicContact CE1-CD2 4.43Å; Y322-W336 AromaticContact CE1-CE2 3.91Å; Y322-W336 AromaticContact CE1-CH2 3.99Å; Y322-W336 HydrophobicContact CE1-CH2 3.99Å; Y322-W336 AromaticContact CE1-CZ2 3.67Å; Y322-W336 HydrophobicContact CE1-CZ2 3.67Å; Y322-W336 HydrophobicContact CE1-CZ3 4.49Å; W336-S357 CarbonylContact O-C 3.6Å; W336-S357 WeakPolarHBondContact O-CA 3.21Å; W336-S357 VanDerWaalsContact O-CB 3.31Å; W336-S357 WeakPolarHBondContact O-CB 3.46Å; W336-I358 HydrophobicContact CB-CG2 4.08Å; W336-I358 PolarHBondContact N-O 3.33Å; W336-I358 PolarHBondContact O-N 3.04Å; W336-C389 HydrophobicContact CZ2-CB 4.39Å; W336-I391 HydrophobicContact CD2-CB 4.07Å; W336-I391 HydrophobicContact CD2-CD1 4.19Å; W336-I391 HydrophobicContact CD2-CG2 4.1Å; W336-I391 HydrophobicContact CE3-CB 4.4Å; W336-I391 HydrophobicContact CE3-CD1 4.32Å; W336-I391 HydrophobicContact CE3-CG2 3.96Å; W336-I391 HydrophobicContact CG-CD1 4.34Å; W336-I391 HydrophobicContact CH2-CB 4.07Å; W336-I391 HydrophobicContact CH2-CG2 3.25Å; W336-I391 HydrophobicContact CZ2-CB 3.72Å; W336-I391 HydrophobicContact CZ2-CG2 3.42Å; W336-I391 VanDerWaalsContact CZ2-CG2 3.42Å; W336-I391 HydrophobicContact CZ3-CB 4.38Å; W336-I391 HydrophobicContact CZ3-CG2 3.52Å; W336-F422 HydrophobicContact CE3-CB 4.01Å; W336-Y423 VanDerWaalsContact CA-O 3.3Å; W336-Y423 WeakPolarHBondContact CA-O 3.41Å; W336-F454 AromaticContact CH2-CE2 3.9Å; W336-F454 HydrophobicContact CH2-CE2 3.9Å; W336-F454 AromaticContact CH2-CZ 3.52Å; W336-F454 HydrophobicContact CH2-CZ 3.52Å; W336-F454 HydrophobicContact CZ3-CE1 4.38Å; W336-F454 HydrophobicContact CZ3-CE2 4.36Å; W336-F454 AromaticContact CZ3-CZ 3.53Å; W336-F454 HydrophobicContact CZ3-CZ 3.53Å
337	A	98.4	Very high	90.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	152.6	174.3	0	0	0	0	0	110.4	R310 F343 V351 Y423 A425	R310-A337 HydrophobicContact CG-CB 4.3Å; A337-F343 HydrophobicContact CB-CE1 4.28Å; A337-F343 HydrophobicContact CB-CZ 3.82Å; A337-V351 HydrophobicContact CB-CG1 4.5Å; A337-Y423 PolarHBondContact N-O 3.37Å; A337-Y423 PolarHBondContact O-N 2.86Å; A337-A425 HydrophobicContact CB-CB 3.66Å
338	T	97.8	Very high	89.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.176	C	C	.	.			trans	-96.3	-176	168.7	75	0	0	0	0	110.9	R310 E340 S341 Y356 A418 G421 F422	R310-T338 PolarHBondContact NH1-O 3.14Å; T338-E340 VanDerWaalsContact C-N 3.27Å; T338-E340 WeakPolarHBondContact CB-OE2 3.35Å; T338-E340 PolarHBondContact OG1-N 3.25Å; T338-E340 PolarHBondContact OG1-OE2 3.31Å; T338-S341 PolarHBondContact N-OG 3.49Å; T338-S341 WeakPolarHBondContact O-CB 3.28Å; T338-S341 PolarHBondContact O-N 2.97Å; T338-Y356 PolarHBondContact N-O 3.07Å; T338-A418 HydrophobicContact CG2-CB 3.7Å; T338-G421 WeakPolarHBondContact CA-O 3.45Å; T338-F422 HydrophobicContact CG2-CD1 3.77Å; T338-F422 HydrophobicContact CG2-CE1 3.9Å
339	K	95	Very high	89.1	Confident	126 Å²	126	39.2 Å²	39.2	55%	0.548	19%	0.187	S	C	.	.	S	Bend	trans	-71.7	-25.6	173.8	-74.7	179.3	175.4	140	0	112.6	E314 S341 Y423	E314-K339 IonicContact OE2-NZ 2.74Å; E314-K339 PolarHBondContact OE2-NZ 3.25Å; K339-S341 PolarHBondContact O-N 3.45Å; K339-Y423 WeakPolarHBondContact CE-OH 3.28Å; K339-Y423 HydrophobicContact CG-CE2 3.88Å; K339-Y423 PolarHBondContact NZ-OH 2.86Å
340	E	94	Very high	88.9	Confident	106 Å²	106	37.8 Å²	37.8	50%	0.495	18%	0.177	S	C	.	.	S	Bend	trans	-71.6	-19.5	177.4	-62.7	75.1	-167	0	0	111.9	T338 Y356	T338-E340 VanDerWaalsContact C-N 3.27Å; T338-E340 WeakPolarHBondContact CB-OE2 3.35Å; T338-E340 PolarHBondContact OG1-N 3.25Å; T338-E340 PolarHBondContact OG1-OE2 3.31Å; E340-Y356 HydrophobicContact CB-CD1 3.75Å; E340-Y356 HydrophobicContact CB-CD2 3.81Å; E340-Y356 HydrophobicContact CB-CE1 3.99Å; E340-Y356 HydrophobicContact CB-CE2 4.05Å; E340-Y356 HydrophobicContact CB-CG 3.66Å; E340-Y356 HydrophobicContact CG-CD1 4.43Å; E340-Y356 HydrophobicContact CG-CE1 4.36Å
341	S	92.5	Very high	89	Confident	5 Å²	5	37.8 Å²	37.8	4%	0.035	18%	0.177	C	C	.	.			trans	-61.6	135.9	174.5	-63.8	0	0	0	0	112.4	R310 T338 K339 D354 Y356 S357	R310-S341 PolarHBondContact NH1-O 2.85Å; T338-S341 PolarHBondContact N-OG 3.49Å; T338-S341 WeakPolarHBondContact O-CB 3.28Å; T338-S341 PolarHBondContact O-N 2.97Å; K339-S341 PolarHBondContact O-N 3.45Å; S341-D354 WeakPolarHBondContact CA-OD2 3.47Å; S341-D354 VanDerWaalsContact CB-OD2 3.24Å; S341-D354 WeakPolarHBondContact CB-OD2 3.48Å; S341-D354 PolarHBondContact OG-OD1 3.46Å; S341-Y356 VanDerWaalsContact OG-C 3.25Å; S341-Y356 VanDerWaalsContact OG-CB 3.31Å; S341-Y356 WeakPolarHBondContact OG-CB 3.48Å; S341-Y356 PolarHBondContact OG-O 2.84Å; S341-Y356 VanDerWaalsContact OG-O 3.12Å; S341-S357 WeakPolarHBondContact OG-CB 3.25Å
342	K	87.3	Confident	89	Confident	136 Å²	136	37.6 Å²	37.6	59%	0.591	18%	0.177	S	C	*	.			trans	-115.7	112.7	-178.8	-62.6	179.1	-172.4	168.1	0	109.4	F344 D354	K342-F344 HydrophobicContact CB-CD2 4.13Å; K342-F344 HydrophobicContact CB-CE2 3.6Å; K342-F344 HydrophobicContact CB-CZ 3.94Å; K342-F344 HydrophobicContact CD-CE2 3.97Å; K342-F344 HydrophobicContact CD-CZ 3.77Å; K342-F344 HydrophobicContact CG-CE2 4.45Å; K342-F344 HydrophobicContact CG-CZ 4.46Å; K342-D354 PolarHBondContact N-OD2 3.34Å
343	F	83.4	Confident	88.8	Confident	37 Å²	37	38.3 Å²	38.3	16%	0.162	18%	0.18	C	C	.	.			trans	-91.6	109.7	173.1	-47.8	-46.7	0	0	0	108.6	S308 R310 A337 Y349 V351	S308-F343 VanDerWaalsContact CB-CG 3.48Å; R310-F343 HydrophobicContact CG-CE2 4.01Å; R310-F343 HydrophobicContact CG-CZ 4.12Å; A337-F343 HydrophobicContact CB-CE1 4.28Å; A337-F343 HydrophobicContact CB-CZ 3.82Å; F343-Y349 CarbonylContact C-O 3.52Å; F343-Y349 WeakPolarHBondContact CA-O 3.36Å; F343-V351 HydrophobicContact CD1-CG2 4.47Å; F343-V351 HydrophobicContact CE1-CG2 3.75Å; F343-V351 HydrophobicContact CZ-CG2 4.08Å
344	F	80.2	Confident	88.6	Confident	95 Å²	95	39.1 Å²	39.1	42%	0.417	19%	0.185	S	C	.	.	B	Isolated β-bridge	trans	-101.8	77.5	174.4	-60.6	-76.4	0	0	0	108.1	K342 L346 E347 G348 Y349	K342-F344 HydrophobicContact CB-CD2 4.13Å; K342-F344 HydrophobicContact CB-CE2 3.6Å; K342-F344 HydrophobicContact CB-CZ 3.94Å; K342-F344 HydrophobicContact CD-CE2 3.97Å; K342-F344 HydrophobicContact CD-CZ 3.77Å; K342-F344 HydrophobicContact CG-CE2 4.45Å; K342-F344 HydrophobicContact CG-CZ 4.46Å; F344-L346 PolarHBondContact O-N 2.99Å; F344-E347 HydrophobicContact CB-CB 4.19Å; F344-E347 WeakPolarHBondContact CB-OE2 2.89Å; F344-E347 PolarHBondContact O-N 2.87Å; F344-E347 VanDerWaalsContact O-N 3.15Å; F344-G348 PolarHBondContact O-N 3.35Å; F344-G348 VanDerWaalsContact O-N 3.08Å; F344-Y349 CarbonylContact C-O 3.52Å; F344-Y349 HydrophobicContact CB-CD2 3.92Å; F344-Y349 HydrophobicContact CB-CG 4.38Å; F344-Y349 AromaticContact CD2-CD2 3.76Å; F344-Y349 HydrophobicContact CD2-CD2 3.76Å; F344-Y349 HydrophobicContact CG-CD2 4.25Å; F344-Y349 PolarHBondContact N-O 2.96Å; F344-Y349 PolarHBondContact O-N 2.8Å
345	N	70.5	Confident	88.4	Confident	34 Å²	34	42.8 Å²	42.8	18%	0.182	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-29.6	-173	63.6	-26.9	0	0	0	113.7	C305 F306 E307 G348	C305-N345 HydrophobicContact CB-CB 4.28Å; C305-N345 WeakPolarHBondContact CB-O 3.18Å; C305-N345 PolarHBondContact SG-O 3.41Å; C305-N345 VanDerWaalsContact SG-O 3.38Å; F306-N345 PolarHBondContact N-O 3.46Å; F306-N345 VanDerWaalsContact N-O 3.12Å; F306-N345 VanDerWaalsContact O-CB 3.23Å; F306-N345 WeakPolarHBondContact O-CB 3.15Å; E307-N345 PolarHBondContact OE1-ND2 3.41Å; N345-G348 PolarHBondContact O-N 2.96Å
346	L	66.6	Low	88.4	Confident	65 Å²	65	46.3 Å²	46.3	34%	0.34	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-41.5	177.6	-60.7	179.4	0	0	0	112.4	F344 G348 F517	F344-L346 PolarHBondContact O-N 2.99Å; L346-G348 PolarHBondContact O-N 2.83Å; L346-F517 HydrophobicContact CD2-CD2 3.5Å; L346-F517 VanDerWaalsContact CD2-CD2 3.5Å; L346-F517 HydrophobicContact CD2-CE2 3.27Å; L346-F517 HydrophobicContact CD2-CG 4.45Å; L346-F517 HydrophobicContact CD2-CZ 4.07Å
347	E	71	Confident	88.3	Confident	95 Å²	95	46.3 Å²	46.3	44%	0.444	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-2.1	176.9	-64.9	81	180	0	0	112.3	F344 Y349	F344-E347 HydrophobicContact CB-CB 4.19Å; F344-E347 WeakPolarHBondContact CB-OE2 2.89Å; F344-E347 PolarHBondContact O-N 2.87Å; F344-E347 VanDerWaalsContact O-N 3.15Å; E347-Y349 HydrophobicContact CB-CD2 4.1Å; E347-Y349 HydrophobicContact CB-CE2 4.26Å
348	G	75	Confident	88.3	Confident	22 Å²	22	46.3 Å²	46.3	23%	0.227	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	16	-179.3	0	0	0	0	0	114.2	N60 F306 F344 N345 L346	N60-G348 PolarHBondContact ND2-O 3.1Å; F306-G348 WeakPolarHBondContact CD1-O 2.81Å; F344-G348 PolarHBondContact O-N 3.35Å; F344-G348 VanDerWaalsContact O-N 3.08Å; N345-G348 PolarHBondContact O-N 2.96Å; L346-G348 PolarHBondContact O-N 2.83Å
349	Y	84	Confident	88.3	Confident	69 Å²	69	46.3 Å²	46.3	27%	0.271	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-87.7	114.5	176.1	-59.5	-36.8	0	0	0	111.6	N60 D61 F343 F344 E347 D353	N60-Y349 HydrophobicContact CB-CE1 4.23Å; D61-Y349 PolarHBondContact OD1-OH 2.97Å; F343-Y349 CarbonylContact C-O 3.52Å; F343-Y349 WeakPolarHBondContact CA-O 3.36Å; F344-Y349 CarbonylContact C-O 3.52Å; F344-Y349 HydrophobicContact CB-CD2 3.92Å; F344-Y349 HydrophobicContact CB-CG 4.38Å; F344-Y349 AromaticContact CD2-CD2 3.76Å; F344-Y349 HydrophobicContact CD2-CD2 3.76Å; F344-Y349 HydrophobicContact CG-CD2 4.25Å; F344-Y349 PolarHBondContact N-O 2.96Å; F344-Y349 PolarHBondContact O-N 2.8Å; E347-Y349 HydrophobicContact CB-CD2 4.1Å; E347-Y349 HydrophobicContact CB-CE2 4.26Å; Y349-D353 WeakPolarHBondContact CA-OD2 3.38Å; Y349-D353 HydrophobicContact CD1-CB 3.94Å; Y349-D353 HydrophobicContact CG-CB 4.26Å
350	G	91.4	Very high	88.5	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.19	C	C	.	.			trans	-114.3	-152	177.7	0	0	0	0	0	113	G352 D353 S427	G350-G352 PolarHBondContact O-N 3.33Å; G350-D353 PolarHBondContact N-OD2 3.18Å; G350-D353 PolarHBondContact O-N 3.23Å; G350-S427 WeakPolarHBondContact CA-OG 3.26Å
351	V	96.2	Very high	88.7	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	121.7	179.8	-177.1	0	0	0	0	109.5	Q333 A337 F343 I358 A359 A425 S427	Q333-V351 PolarHBondContact OE1-O 3.45Å; A337-V351 HydrophobicContact CB-CG1 4.5Å; F343-V351 HydrophobicContact CD1-CG2 4.47Å; F343-V351 HydrophobicContact CE1-CG2 3.75Å; F343-V351 HydrophobicContact CZ-CG2 4.08Å; V351-I358 WeakPolarHBondContact CG1-O 3.37Å; V351-A359 HydrophobicContact CB-CB 4.06Å; V351-A359 HydrophobicContact CG1-CB 3.83Å; V351-A359 WeakPolarHBondContact O-CB 3.29Å; V351-A425 HydrophobicContact CG1-CB 4.2Å; V351-A425 HydrophobicContact CG2-CB 3.66Å; V351-S427 WeakPolarHBondContact CG2-OG 3.5Å; V351-S427 PolarHBondContact N-OG 3.05Å
352	G	95.1	Very high	88.9	Confident	0 Å²	0	35 Å²	35	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.8	-6.9	-176.1	0	0	0	0	0	114.1	G350 D354 S357 W368 F369 N370 A371	G350-G352 PolarHBondContact O-N 3.33Å; G352-D354 VanDerWaalsContact C-N 3.3Å; G352-S357 PolarHBondContact N-OG 3.13Å; G352-W368 WeakPolarHBondContact CA-O 3.2Å; G352-W368 CarbonylContact O-C 3.57Å; G352-F369 CarbonylContact O-C 3.52Å; G352-F369 WeakPolarHBondContact O-CA 3.42Å; G352-F369 PolarHBondContact O-N 3.49Å; G352-F369 VanDerWaalsContact O-N 3.14Å; G352-N370 PolarHBondContact O-N 3.03Å; G352-A371 PolarHBondContact O-N 3.2Å
353	D	92.6	Very high	89.3	Confident	14 Å²	14	28.7 Å²	28.7	8%	0.075	14%	0.137	C	C	.	.	S	Bend	trans	-89	4.6	177.4	-63.9	-37.3	0	0	0	113.2	N60 Y349 G350 W368	N60-D353 VanDerWaalsContact ND2-CG 3.29Å; N60-D353 PolarHBondContact ND2-OD1 3.39Å; N60-D353 PolarHBondContact ND2-OD2 2.82Å; Y349-D353 WeakPolarHBondContact CA-OD2 3.38Å; Y349-D353 HydrophobicContact CD1-CB 3.94Å; Y349-D353 HydrophobicContact CG-CB 4.26Å; G350-D353 PolarHBondContact N-OD2 3.18Å; G350-D353 PolarHBondContact O-N 3.23Å; D353-W368 VanDerWaalsContact OD1-CE3 3.32Å
354	D	93.4	Very high	89.7	Confident	18 Å²	18	27.9 Å²	27.9	10%	0.096	13%	0.133	C	C	.	.	S	Bend	trans	-130.5	170.1	169.2	64.3	35.5	0	0	0	111.7	S341 K342 G352 Y356 S357 N370	S341-D354 WeakPolarHBondContact CA-OD2 3.47Å; S341-D354 VanDerWaalsContact CB-OD2 3.24Å; S341-D354 WeakPolarHBondContact CB-OD2 3.48Å; S341-D354 PolarHBondContact OG-OD1 3.46Å; K342-D354 PolarHBondContact N-OD2 3.34Å; G352-D354 VanDerWaalsContact C-N 3.3Å; D354-Y356 PolarHBondContact O-N 3.19Å; D354-Y356 WeakPolarHBondContact OD1-CA 3.38Å; D354-Y356 PolarHBondContact OD1-N 3.5Å; D354-S357 WeakPolarHBondContact OD1-CB 3.3Å; D354-S357 PolarHBondContact OD1-N 3.03Å; D354-S357 PolarHBondContact OD1-OG 2.86Å; D354-N370 WeakPolarHBondContact O-CA 3.44Å; D354-N370 PolarHBondContact O-N 3.23Å
355	E	95.1	Very high	90.5	Very high	77 Å²	77	28.7 Å²	28.7	36%	0.36	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-18.7	178	63.8	-102.5	-148.9	0	0	113.9	F369 N370 V417	E355-F369 WeakPolarHBondContact O-CE2 3.33Å; E355-N370 HydrophobicContact CB-CB 4.46Å; E355-V417 HydrophobicContact CB-CG1 4.34Å; E355-V417 HydrophobicContact CB-CG2 4.24Å; E355-V417 HydrophobicContact CG-CG1 4.35Å; E355-V417 HydrophobicContact CG-CG2 4.32Å; E355-V417 WeakPolarHBondContact O-CG2 3.34Å
356	Y	97.4	Very high	91.6	Very high	73 Å²	73	27.2 Å²	27.2	29%	0.286	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	1.5	-172.1	-64.4	-70.7	0	0	0	113.9	T338 E340 S341 D354 V417	T338-Y356 PolarHBondContact N-O 3.07Å; E340-Y356 HydrophobicContact CB-CD1 3.75Å; E340-Y356 HydrophobicContact CB-CD2 3.81Å; E340-Y356 HydrophobicContact CB-CE1 3.99Å; E340-Y356 HydrophobicContact CB-CE2 4.05Å; E340-Y356 HydrophobicContact CB-CG 3.66Å; E340-Y356 HydrophobicContact CG-CD1 4.43Å; E340-Y356 HydrophobicContact CG-CE1 4.36Å; S341-Y356 VanDerWaalsContact OG-C 3.25Å; S341-Y356 VanDerWaalsContact OG-CB 3.31Å; S341-Y356 WeakPolarHBondContact OG-CB 3.48Å; S341-Y356 PolarHBondContact OG-O 2.84Å; S341-Y356 VanDerWaalsContact OG-O 3.12Å; D354-Y356 PolarHBondContact O-N 3.19Å; D354-Y356 WeakPolarHBondContact OD1-CA 3.38Å; D354-Y356 PolarHBondContact OD1-N 3.5Å; Y356-V417 HydrophobicContact CD1-CG2 4.12Å; Y356-V417 HydrophobicContact CE1-CB 4.28Å; Y356-V417 HydrophobicContact CE1-CG2 4.36Å
357	S	98.1	Very high	93.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	159.5	-178	58.1	0	0	0	0	112.9	W336 S341 G352 D354 F369	W336-S357 CarbonylContact O-C 3.6Å; W336-S357 WeakPolarHBondContact O-CA 3.21Å; W336-S357 VanDerWaalsContact O-CB 3.31Å; W336-S357 WeakPolarHBondContact O-CB 3.46Å; S341-S357 WeakPolarHBondContact OG-CB 3.25Å; G352-S357 PolarHBondContact N-OG 3.13Å; D354-S357 WeakPolarHBondContact OD1-CB 3.3Å; D354-S357 PolarHBondContact OD1-N 3.03Å; D354-S357 PolarHBondContact OD1-OG 2.86Å; S357-F369 VanDerWaalsContact O-CD2 3.3Å; S357-F369 WeakPolarHBondContact O-CD2 3.34Å
358	I	98.2	Very high	94.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	139.1	175.8	-171.6	176.8	0	0	0	109.9	G335 W336 V351 L367 W368 F369 V398 F400 F411 L414	G335-I358 CarbonylContact C-O 3.48Å; G335-I358 WeakPolarHBondContact CA-O 3.39Å; W336-I358 HydrophobicContact CB-CG2 4.08Å; W336-I358 PolarHBondContact N-O 3.33Å; W336-I358 PolarHBondContact O-N 3.04Å; V351-I358 WeakPolarHBondContact CG1-O 3.37Å; I358-L367 HydrophobicContact CD1-CD1 4.05Å; I358-L367 HydrophobicContact CD1-CD2 4.12Å; I358-L367 HydrophobicContact CD1-CG 4.22Å; I358-L367 HydrophobicContact CG1-CD1 4.08Å; I358-L367 HydrophobicContact CG1-CG 4.26Å; I358-W368 WeakPolarHBondContact CA-O 3.41Å; I358-W368 WeakPolarHBondContact CG1-O 3.33Å; I358-F369 HydrophobicContact CB-CD2 4.48Å; I358-F369 HydrophobicContact CG1-CB 4.39Å; I358-V398 HydrophobicContact CD1-CG1 4.49Å; I358-V398 HydrophobicContact CG2-CG1 4.13Å; I358-V398 HydrophobicContact CG2-CG2 4.29Å; I358-F400 HydrophobicContact CD1-CE2 4.09Å; I358-F400 HydrophobicContact CG1-CE2 4.24Å; I358-F400 HydrophobicContact CG1-CZ 4.39Å; I358-F400 HydrophobicContact CG2-CZ 4.37Å; I358-F411 HydrophobicContact CD1-CB 3.69Å; I358-F411 HydrophobicContact CD1-CD1 3.2Å; I358-F411 HydrophobicContact CD1-CD2 4.13Å; I358-F411 HydrophobicContact CD1-CE1 3.72Å; I358-F411 HydrophobicContact CD1-CG 3.4Å; I358-F411 VanDerWaalsContact CD1-CG 3.4Å; I358-F411 HydrophobicContact CD1-CZ 4.37Å; I358-F411 HydrophobicContact CG1-CD1 4.46Å; I358-L414 HydrophobicContact CB-CD2 4.44Å; I358-L414 HydrophobicContact CG2-CD2 3.71Å
359	A	98.4	Very high	95.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	157.9	175.1	0	0	0	0	0	112.8	Q333 I334 V351 L367 W368	Q333-A359 HydrophobicContact CB-CB 3.55Å; Q333-A359 HydrophobicContact CG-CB 4.13Å; I334-A359 WeakPolarHBondContact O-CA 3Å; V351-A359 HydrophobicContact CB-CB 4.06Å; V351-A359 HydrophobicContact CG1-CB 3.83Å; V351-A359 WeakPolarHBondContact O-CB 3.29Å; A359-L367 CarbonylContact O-C 3.54Å; A359-L367 WeakPolarHBondContact O-CA 3.45Å; A359-L367 WeakPolarHBondContact O-CD1 3.48Å; A359-W368 PolarHBondContact N-O 2.73Å; A359-W368 PolarHBondContact O-N 3.31Å
360	Y	98.4	Very high	95.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	133.3	162	-180	-111.8	0	0	0	110.3	I334 L366 Q376 V378 W381 L387 I407	I334-Y360 PolarHBondContact N-O 2.78Å; I334-Y360 PolarHBondContact O-N 3.23Å; Y360-L366 WeakPolarHBondContact CD2-O 3.32Å; Y360-Q376 HydrophobicContact CD2-CG 4.5Å; Y360-Q376 HydrophobicContact CE2-CB 4.32Å; Y360-Q376 HydrophobicContact CE2-CG 4.03Å; Y360-V378 WeakPolarHBondContact OH-CG2 3.47Å; Y360-W381 HydrophobicContact CD1-CE3 4.42Å; Y360-W381 HydrophobicContact CD1-CZ3 4.12Å; Y360-W381 HydrophobicContact CE1-CE3 4.28Å; Y360-W381 HydrophobicContact CE1-CZ3 4.4Å; Y360-L387 HydrophobicContact CD1-CD1 3.58Å; Y360-L387 HydrophobicContact CD1-CD2 4.49Å; Y360-L387 HydrophobicContact CE1-CD1 4.21Å; Y360-L387 HydrophobicContact CG-CD1 4.45Å; Y360-I407 HydrophobicContact CD1-CD1 3.67Å; Y360-I407 HydrophobicContact CD2-CD1 4.38Å; Y360-I407 HydrophobicContact CD2-CG2 4.05Å; Y360-I407 HydrophobicContact CE1-CD1 3.48Å; Y360-I407 VanDerWaalsContact CE1-CD1 3.48Å; Y360-I407 HydrophobicContact CE2-CD1 4.24Å; Y360-I407 HydrophobicContact CE2-CG2 3.69Å; Y360-I407 HydrophobicContact CG-CD1 4.1Å
361	D	97.2	Very high	95.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	104.2	168.3	179.6	-30.9	0	0	0	108.6	M332 Q333 C363 R364 R365 L366	M332-D361 VanDerWaalsContact O-CA 3.23Å; M332-D361 WeakPolarHBondContact O-CA 3.2Å; M332-D361 WeakPolarHBondContact O-CB 3.31Å; Q333-D361 HydrophobicContact CG-CB 4.39Å; D361-C363 WeakPolarHBondContact OD1-CA 3.4Å; D361-C363 WeakPolarHBondContact OD1-CB 3.5Å; D361-C363 PolarHBondContact OD1-N 3.24Å; D361-R364 PolarHBondContact OD1-N 3.31Å; D361-R364 IonicContact OD2-CZ 3.87Å; D361-R364 IonicContact OD2-NE 2.67Å; D361-R364 PolarHBondContact OD2-NE 3.43Å; D361-R364 IonicContact OD2-NH2 3.35Å; D361-R364 PolarHBondContact OD2-NH2 3.32Å; D361-R365 CarbonylContact O-C 3.49Å; D361-R365 WeakPolarHBondContact O-CA 3.3Å; D361-R365 PolarHBondContact O-N 3.09Å; D361-L366 PolarHBondContact N-O 3.14Å; D361-L366 PolarHBondContact O-N 2.88Å
362	G	97.1	Very high	95.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-11	-178.7	0	0	0	0	0	114.7	A380 W381	G362-A380 CarbonylContact O-C 3.49Å; G362-A380 WeakPolarHBondContact O-CA 3.43Å; G362-A380 WeakPolarHBondContact O-CB 3.34Å; G362-W381 PolarHBondContact O-N 3.42Å
363	C	95	Very high	95.3	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.02	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-45.1	172.6	-169.5	0	0	0	0	110.3	P329 G330 I331 D361	P329-C363 PolarHBondContact O-SG 2.91Å; G330-C363 VanDerWaalsContact O-CB 3.26Å; G330-C363 WeakPolarHBondContact O-CB 3.16Å; I331-C363 HydrophobicContact CG1-CB 4.26Å; D361-C363 WeakPolarHBondContact OD1-CA 3.4Å; D361-C363 WeakPolarHBondContact OD1-CB 3.5Å; D361-C363 PolarHBondContact OD1-N 3.24Å
364	R	93.7	Very high	95.3	Very high	21 Å²	21	29.2 Å²	29.2	8%	0.079	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-16.1	178	-62.5	-172.7	-76.6	-178.9	-5.2	113	L57 I331 D361 L366 W368	L57-R364 VanDerWaalsContact O-CD 3.27Å; L57-R364 WeakPolarHBondContact O-CD 3.3Å; L57-R364 PolarHBondContact O-NH1 3.04Å; L57-R364 VanDerWaalsContact O-NH1 3.11Å; I331-R364 HydrophobicContact CG1-CG 4.41Å; D361-R364 PolarHBondContact OD1-N 3.31Å; D361-R364 IonicContact OD2-CZ 3.87Å; D361-R364 IonicContact OD2-NE 2.67Å; D361-R364 PolarHBondContact OD2-NE 3.43Å; D361-R364 IonicContact OD2-NH2 3.35Å; D361-R364 PolarHBondContact OD2-NH2 3.32Å; R364-L366 HydrophobicContact CB-CB 4.43Å; R364-L366 HydrophobicContact CB-CD1 3.7Å; R364-L366 HydrophobicContact CB-CG 3.8Å; R364-W368 VanDerWaalsContact NH2-CZ2 3.29Å
365	R	95.2	Very high	95.3	Very high	111 Å²	111	31.2 Å²	31.2	42%	0.419	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	46.8	-175.6	-51.7	167.4	-70.2	152.8	5.6	111.7	D361 Q376 V378 A380	D361-R365 CarbonylContact O-C 3.49Å; D361-R365 WeakPolarHBondContact O-CA 3.3Å; D361-R365 PolarHBondContact O-N 3.09Å; R365-Q376 PolarHBondContact O-N 3.49Å; R365-V378 WeakPolarHBondContact CD-O 3.06Å; R365-A380 HydrophobicContact CG-CB 4.29Å
366	L	95.4	Very high	95.3	Very high	3 Å²	3	29 Å²	29	2%	0.016	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	137.4	-175.1	-63.4	178.4	0	0	0	110.2	Y360 D361 R364 W368 F374	Y360-L366 WeakPolarHBondContact CD2-O 3.32Å; D361-L366 PolarHBondContact N-O 3.14Å; D361-L366 PolarHBondContact O-N 2.88Å; R364-L366 HydrophobicContact CB-CB 4.43Å; R364-L366 HydrophobicContact CB-CD1 3.7Å; R364-L366 HydrophobicContact CB-CG 3.8Å; L366-W368 HydrophobicContact CD1-CZ2 3.66Å; L366-F374 WeakPolarHBondContact CA-O 3.46Å
367	L	96.9	Very high	95.1	Very high	13 Å²	13	34.1 Å²	34.1	7%	0.068	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	131.1	161.1	-167.6	74.4	0	0	0	108.1	I358 A359 S373 F374 F400 F411	I358-L367 HydrophobicContact CD1-CD1 4.05Å; I358-L367 HydrophobicContact CD1-CD2 4.12Å; I358-L367 HydrophobicContact CD1-CG 4.22Å; I358-L367 HydrophobicContact CG1-CD1 4.08Å; I358-L367 HydrophobicContact CG1-CG 4.26Å; A359-L367 CarbonylContact O-C 3.54Å; A359-L367 WeakPolarHBondContact O-CA 3.45Å; A359-L367 WeakPolarHBondContact O-CD1 3.48Å; L367-S373 CarbonylContact O-C 3.37Å; L367-S373 WeakPolarHBondContact O-CA 3.31Å; L367-F374 HydrophobicContact CB-CB 4.27Å; L367-F374 HydrophobicContact CB-CD2 4.35Å; L367-F374 HydrophobicContact CD2-CD2 4.48Å; L367-F374 PolarHBondContact N-O 3.29Å; L367-F374 WeakPolarHBondContact O-CD2 3.5Å; L367-F374 PolarHBondContact O-N 3.25Å; L367-F400 HydrophobicContact CD1-CD2 3.64Å; L367-F400 HydrophobicContact CD1-CE2 3.36Å; L367-F400 HydrophobicContact CD1-CZ 4.28Å; L367-F411 HydrophobicContact CD2-CB 4.25Å; L367-F411 HydrophobicContact CD2-CD2 3.36Å; L367-F411 HydrophobicContact CD2-CE2 3.86Å; L367-F411 HydrophobicContact CD2-CG 4Å
368	W	95.8	Very high	94.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.5	179.5	-68.9	87.3	0	0	0	110.1	H58 Q333 G352 D353 I358 A359 R364 L366 A372	H58-W368 VanDerWaalsContact O-CH2 3.31Å; H58-W368 WeakPolarHBondContact O-CH2 3.26Å; Q333-W368 HydrophobicContact CG-CG 4.19Å; G352-W368 WeakPolarHBondContact CA-O 3.2Å; G352-W368 CarbonylContact O-C 3.57Å; D353-W368 VanDerWaalsContact OD1-CE3 3.32Å; I358-W368 WeakPolarHBondContact CA-O 3.41Å; I358-W368 WeakPolarHBondContact CG1-O 3.33Å; A359-W368 PolarHBondContact N-O 2.73Å; A359-W368 PolarHBondContact O-N 3.31Å; R364-W368 VanDerWaalsContact NH2-CZ2 3.29Å; L366-W368 HydrophobicContact CD1-CZ2 3.66Å; W368-A372 WeakPolarHBondContact CA-O 3.15Å
369	F	95.8	Very high	94.7	Very high	21 Å²	21	40.3 Å²	40.3	9%	0.092	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	132.7	174.5	171.4	-99	0	0	0	110	G352 E355 S357 I358 A371 A372 F374 F411 L414	G352-F369 CarbonylContact O-C 3.52Å; G352-F369 WeakPolarHBondContact O-CA 3.42Å; G352-F369 PolarHBondContact O-N 3.49Å; G352-F369 VanDerWaalsContact O-N 3.14Å; E355-F369 WeakPolarHBondContact O-CE2 3.33Å; S357-F369 VanDerWaalsContact O-CD2 3.3Å; S357-F369 WeakPolarHBondContact O-CD2 3.34Å; I358-F369 HydrophobicContact CB-CD2 4.48Å; I358-F369 HydrophobicContact CG1-CB 4.39Å; F369-A371 VanDerWaalsContact C-N 3.3Å; F369-A371 PolarHBondContact O-N 3.2Å; F369-A372 PolarHBondContact N-O 3.03Å; F369-A372 WeakPolarHBondContact O-CB 3.25Å; F369-A372 PolarHBondContact O-N 2.91Å; F369-F374 HydrophobicContact CB-CE2 4.33Å; F369-F411 HydrophobicContact CB-CE1 4.12Å; F369-F411 HydrophobicContact CB-CE2 4.45Å; F369-F411 HydrophobicContact CB-CZ 3.68Å; F369-F411 AromaticContact CD1-CE1 3.99Å; F369-F411 HydrophobicContact CD1-CE1 3.99Å; F369-F411 AromaticContact CD1-CZ 3.49Å; F369-F411 HydrophobicContact CD1-CZ 3.49Å; F369-F411 VanDerWaalsContact CD1-CZ 3.49Å; F369-F411 AromaticContact CD2-CE1 3.74Å; F369-F411 HydrophobicContact CD2-CE1 3.74Å; F369-F411 HydrophobicContact CD2-CZ 4.03Å; F369-F411 HydrophobicContact CE1-CE1 4.33Å; F369-F411 HydrophobicContact CE1-CZ 4.1Å; F369-F411 HydrophobicContact CE2-CE1 4.14Å; F369-F411 AromaticContact CG-CE1 3.66Å; F369-F411 HydrophobicContact CG-CE1 3.66Å; F369-F411 AromaticContact CG-CZ 3.43Å; F369-F411 HydrophobicContact CG-CZ 3.43Å; F369-F411 VanDerWaalsContact CG-CZ 3.43Å; F369-F411 HydrophobicContact CZ-CE1 4.41Å; F369-L414 HydrophobicContact CE2-CB 4.09Å; F369-L414 HydrophobicContact CE2-CD1 4.14Å
370	N	94	Very high	94.6	Very high	83 Å²	83	41.1 Å²	41.1	44%	0.444	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	46.2	177	-170.1	41.5	0	0	0	112.8	G352 D354 E355 A372	G352-N370 PolarHBondContact O-N 3.03Å; D354-N370 WeakPolarHBondContact O-CA 3.44Å; D354-N370 PolarHBondContact O-N 3.23Å; E355-N370 HydrophobicContact CB-CB 4.46Å; N370-A372 PolarHBondContact O-N 3.17Å
371	A	88.7	Confident	94.6	Very high	32 Å²	32	41.2 Å²	41.2	26%	0.264	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	15.4	-176.2	0	0	0	0	0	114.8	N59 G352 F369	N59-A371 PolarHBondContact OD1-O 2.93Å; G352-A371 PolarHBondContact O-N 3.2Å; F369-A371 VanDerWaalsContact C-N 3.3Å; F369-A371 PolarHBondContact O-N 3.2Å
372	A	92	Very high	94.6	Very high	40 Å²	40	45.4 Å²	45.4	33%	0.331	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	149.3	173.9	0	0	0	0	0	110.2	W368 F369 N370 F374	W368-A372 WeakPolarHBondContact CA-O 3.15Å; F369-A372 PolarHBondContact N-O 3.03Å; F369-A372 WeakPolarHBondContact O-CB 3.25Å; F369-A372 PolarHBondContact O-N 2.91Å; N370-A372 PolarHBondContact O-N 3.17Å; A372-F374 HydrophobicContact CB-CE2 4.24Å; A372-F374 HydrophobicContact CB-CZ 4.06Å
373	S	92.5	Very high	94.6	Very high	30 Å²	30	47.9 Å²	47.9	21%	0.21	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	145.7	176.8	78	0	0	0	0	113	H58 L367	H58-S373 VanDerWaalsContact O-CB 3.28Å; H58-S373 WeakPolarHBondContact O-CB 3.33Å; H58-S373 PolarHBondContact O-OG 3.32Å; L367-S373 CarbonylContact O-C 3.37Å; L367-S373 WeakPolarHBondContact O-CA 3.31Å
374	F	92.8	Very high	94.7	Very high	88 Å²	88	49.1 Å²	49.1	39%	0.386	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	117	-177.7	-48.7	-89.2	0	0	0	110.5	L366 L367 F369 A372 Q376 F411	L366-F374 WeakPolarHBondContact CA-O 3.46Å; L367-F374 HydrophobicContact CB-CB 4.27Å; L367-F374 HydrophobicContact CB-CD2 4.35Å; L367-F374 HydrophobicContact CD2-CD2 4.48Å; L367-F374 PolarHBondContact N-O 3.29Å; L367-F374 WeakPolarHBondContact O-CD2 3.5Å; L367-F374 PolarHBondContact O-N 3.25Å; F369-F374 HydrophobicContact CB-CE2 4.33Å; A372-F374 HydrophobicContact CB-CE2 4.24Å; A372-F374 HydrophobicContact CB-CZ 4.06Å; F374-Q376 PolarHBondContact O-NE2 3.17Å; F374-F411 HydrophobicContact CE2-CE2 4.38Å
375	G	94.2	Very high	95	Very high	61 Å²	61	49 Å²	49	63%	0.629	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.8	134.2	178.5	0	0	0	0	0	113.7
376	Q	95.2	Very high	95.2	Very high	31 Å²	31	43.8 Å²	43.8	15%	0.145	27%	0.267	C	S	.	.			trans	-113.4	135.3	177.6	-54.7	-54.7	-43.2	0	0	111.1	Y360 R365 F374 V378 I407	Y360-Q376 HydrophobicContact CD2-CG 4.5Å; Y360-Q376 HydrophobicContact CE2-CB 4.32Å; Y360-Q376 HydrophobicContact CE2-CG 4.03Å; R365-Q376 PolarHBondContact O-N 3.49Å; F374-Q376 PolarHBondContact O-NE2 3.17Å; Q376-V378 HydrophobicContact CB-CG2 3.99Å; Q376-V378 PolarHBondContact O-N 3.17Å; Q376-I407 HydrophobicContact CB-CG2 3.84Å; Q376-I407 HydrophobicContact CG-CG2 3.71Å
377	L	93.1	Very high	95.3	Very high	180 Å²	180	43.7 Å²	43.7	94%	0.942	27%	0.266	S	S	*	.	S	Bend	trans	-84.9	58.5	-179.9	-62.6	179.5	0	0	0	111.7
378	V	93.6	Very high	95.4	Very high	33 Å²	33	43.1 Å²	43.1	20%	0.2	26%	0.263	C	S	.	.	S	Bend	trans	-126.9	171.1	177.6	-65.6	0	0	0	0	110.5	Y360 R365 Q376 I407	Y360-V378 WeakPolarHBondContact OH-CG2 3.47Å; R365-V378 WeakPolarHBondContact CD-O 3.06Å; Q376-V378 HydrophobicContact CB-CG2 3.99Å; Q376-V378 PolarHBondContact O-N 3.17Å; V378-I407 HydrophobicContact CG1-CG1 4.4Å; V378-I407 HydrophobicContact CG1-CG2 4.45Å; V378-I407 HydrophobicContact CG2-CG2 4.23Å
379	K	94.7	Very high	95.6	Very high	96 Å²	96	43.1 Å²	43.1	42%	0.417	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-69.8	155.9	170.4	72.8	172.2	-157.8	83	0	110.3	D382 D385 L402	K379-D382 IonicContact NZ-OD2 3.83Å; K379-D382 PolarHBondContact NZ-OD2 3.01Å; K379-D385 IonicContact NZ-OD1 2.66Å; K379-D385 IonicContact NZ-OD2 3.31Å; K379-D385 PolarHBondContact NZ-OD2 3.01Å; K379-L402 HydrophobicContact CG-CD2 3.87Å
380	A	95.4	Very high	95.7	Very high	17 Å²	17	42.4 Å²	42.4	14%	0.14	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-65.8	149.4	165.7	0	0	0	0	0	109.4	G362 R365	G362-A380 CarbonylContact O-C 3.49Å; G362-A380 WeakPolarHBondContact O-CA 3.43Å; G362-A380 WeakPolarHBondContact O-CB 3.34Å; R365-A380 HydrophobicContact CG-CB 4.29Å
381	W	97.5	Very high	95.9	Very high	3 Å²	3	38.5 Å²	38.5	1%	0.011	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-67.5	151.7	172.7	59.4	34.8	0	0	0	110.5	I326 P329 G330 M332 I334 Y360 G362 D385 L387 L402	I326-W381 HydrophobicContact CD1-CD2 4.1Å; I326-W381 HydrophobicContact CD1-CE3 3.74Å; I326-W381 HydrophobicContact CD1-CZ3 3.99Å; I326-W381 HydrophobicContact CG1-CB 4.38Å; I326-W381 HydrophobicContact CG1-CD2 4.14Å; I326-W381 HydrophobicContact CG1-CE3 4.06Å; I326-W381 HydrophobicContact CG1-CG 4.32Å; I326-W381 HydrophobicContact CG2-CD2 4.32Å; I326-W381 HydrophobicContact CG2-CG 4.1Å; P329-W381 VanDerWaalsContact C-NE1 3.34Å; P329-W381 PolarHBondContact O-NE1 3.45Å; P329-W381 VanDerWaalsContact O-NE1 3.12Å; G330-W381 WeakPolarHBondContact O-CZ2 2.96Å; G330-W381 PolarHBondContact O-NE1 3.42Å; G330-W381 VanDerWaalsContact O-NE1 3.1Å; M332-W381 HydrophobicContact CB-CH2 3.93Å; M332-W381 HydrophobicContact CB-CZ2 3.87Å; M332-W381 HydrophobicContact CE-CH2 4.4Å; M332-W381 HydrophobicContact CE-CZ2 3.88Å; M332-W381 WeakPolarHBondContact O-CH2 3.43Å; I334-W381 HydrophobicContact CD1-CH2 4.26Å; I334-W381 HydrophobicContact CD1-CZ3 4.31Å; Y360-W381 HydrophobicContact CD1-CE3 4.42Å; Y360-W381 HydrophobicContact CD1-CZ3 4.12Å; Y360-W381 HydrophobicContact CE1-CE3 4.28Å; Y360-W381 HydrophobicContact CE1-CZ3 4.4Å; G362-W381 PolarHBondContact O-N 3.42Å; W381-D385 WeakPolarHBondContact CA-OD2 3.46Å; W381-D385 HydrophobicContact CB-CB 4.41Å; W381-L387 HydrophobicContact CZ3-CD2 4.23Å; W381-L402 HydrophobicContact CB-CD1 4.07Å
382	D	97.4	Very high	96.4	Very high	88 Å²	88	37.6 Å²	37.6	47%	0.471	23%	0.23	S	C	.	.			trans	-120.1	164.7	171.5	-65.8	-62.3	0	0	0	109.4	K379 G384 D385	K379-D382 IonicContact NZ-OD2 3.83Å; K379-D382 PolarHBondContact NZ-OD2 3.01Å; D382-G384 PolarHBondContact O-N 3.34Å; D382-D385 PolarHBondContact N-OD2 3.22Å; D382-D385 WeakPolarHBondContact O-CB 3.12Å; D382-D385 PolarHBondContact O-N 3.33Å; D382-D385 VanDerWaalsContact O-N 3.16Å
383	A	97.5	Very high	96.7	Very high	51 Å²	51	36.3 Å²	36.3	42%	0.421	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	128.7	172.5	0	0	0	0	0	109.6	L243 V327	L243-A383 HydrophobicContact CD1-CB 3.68Å; V327-A383 WeakPolarHBondContact O-CB 3.4Å
384	G	98.3	Very high	96.9	Very high	29 Å²	29	39.6 Å²	39.6	30%	0.299	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.2	-15	-177.6	0	0	0	0	0	114.6	I326 D382	I326-G384 PolarHBondContact O-N 2.86Å; D382-G384 PolarHBondContact O-N 3.34Å
385	D	98.7	Very high	97.1	Very high	18 Å²	18	43.4 Å²	43.4	10%	0.096	25%	0.245	C	C	.	.			trans	-64.3	156.1	171.7	-75.8	-19.2	0	0	0	111.4	I326 K379 W381 D382 L402 N403	I326-D385 WeakPolarHBondContact CB-O 3.34Å; I326-D385 HydrophobicContact CG1-CB 4.45Å; I326-D385 PolarHBondContact N-O 3.39Å; K379-D385 IonicContact NZ-OD1 2.66Å; K379-D385 IonicContact NZ-OD2 3.31Å; K379-D385 PolarHBondContact NZ-OD2 3.01Å; W381-D385 WeakPolarHBondContact CA-OD2 3.46Å; W381-D385 HydrophobicContact CB-CB 4.41Å; D382-D385 PolarHBondContact N-OD2 3.22Å; D382-D385 WeakPolarHBondContact O-CB 3.12Å; D382-D385 PolarHBondContact O-N 3.33Å; D382-D385 VanDerWaalsContact O-N 3.16Å; D385-L402 HydrophobicContact CB-CD1 3.86Å; D385-N403 WeakPolarHBondContact CA-OD1 3.48Å; D385-N403 PolarHBondContact OD1-ND2 3.13Å
386	V	98.8	Very high	97.3	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.018	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	121.3	176.7	179.8	0	0	0	0	109.9	E323 A324 L325 N403 Y445	E323-V386 HydrophobicContact CB-CG1 3.68Å; E323-V386 HydrophobicContact CG-CG1 3.79Å; A324-V386 WeakPolarHBondContact O-CA 3.5Å; L325-V386 HydrophobicContact CD1-CG2 4.27Å; V386-N403 PolarHBondContact N-OD1 3.41Å; V386-N403 PolarHBondContact O-N 2.98Å; V386-Y445 HydrophobicContact CB-CD2 3.81Å; V386-Y445 HydrophobicContact CB-CE2 3.86Å; V386-Y445 HydrophobicContact CG1-CD2 4.15Å; V386-Y445 HydrophobicContact CG2-CD2 4.31Å; V386-Y445 HydrophobicContact CG2-CE2 4.02Å
387	L	98.9	Very high	97.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	117	169.9	-179.1	72.3	0	0	0	109.6	E323 A324 I326 I334 Y360 W381 F400 Y401 I407	E323-L387 CarbonylContact C-O 3.57Å; E323-L387 VanDerWaalsContact CA-O 3.31Å; E323-L387 WeakPolarHBondContact CA-O 3.45Å; A324-L387 HydrophobicContact CB-CB 4.49Å; A324-L387 PolarHBondContact N-O 3.24Å; A324-L387 PolarHBondContact O-N 2.91Å; I326-L387 HydrophobicContact CD1-CB 4.39Å; I334-L387 HydrophobicContact CB-CD2 3.6Å; I334-L387 HydrophobicContact CD1-CD2 4.15Å; I334-L387 HydrophobicContact CG1-CD2 4.43Å; I334-L387 HydrophobicContact CG2-CD2 3.75Å; Y360-L387 HydrophobicContact CD1-CD1 3.58Å; Y360-L387 HydrophobicContact CD1-CD2 4.49Å; Y360-L387 HydrophobicContact CE1-CD1 4.21Å; Y360-L387 HydrophobicContact CG-CD1 4.45Å; W381-L387 HydrophobicContact CZ3-CD2 4.23Å; L387-F400 HydrophobicContact CD1-CB 4.47Å; L387-F400 HydrophobicContact CD1-CD1 4.5Å; L387-Y401 CarbonylContact C-O 3.38Å; L387-Y401 WeakPolarHBondContact CA-O 3.38Å; L387-Y401 WeakPolarHBondContact CD1-O 3.31Å; L387-I407 HydrophobicContact CD1-CD1 3.85Å
388	G	98.8	Very high	97.7	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	133.7	167.7	0	0	0	0	0	111.4	Y321 F400 Y401	Y321-G388 WeakPolarHBondContact OH-CA 3.28Å; G388-F400 CarbonylContact O-C 3.56Å; G388-F400 WeakPolarHBondContact O-CA 3.48Å; G388-Y401 PolarHBondContact N-O 3.39Å; G388-Y401 PolarHBondContact O-N 3.4Å
389	C	98.9	Very high	98	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	114.9	178.1	-63.3	0	0	0	0	109.3	Y321 Y322 W336 F400	Y321-C389 WeakPolarHBondContact CA-O 3.39Å; Y321-C389 VanDerWaalsContact CD2-O 3.29Å; Y321-C389 WeakPolarHBondContact CD2-O 3.37Å; Y322-C389 HydrophobicContact CD1-CB 3.8Å; Y322-C389 HydrophobicContact CD2-CB 4.43Å; Y322-C389 HydrophobicContact CE1-CB 3.28Å; Y322-C389 HydrophobicContact CE2-CB 3.97Å; Y322-C389 HydrophobicContact CG-CB 4.35Å; Y322-C389 VanDerWaalsContact CZ-SG 3.59Å; Y322-C389 PolarHBondContact N-O 3.06Å; Y322-C389 VanDerWaalsContact N-O 3.13Å; Y322-C389 PolarHBondContact O-N 2.9Å; Y322-C389 PolarHBondContact OH-SG 2.82Å; Y322-C389 VanDerWaalsContact OH-SG 3.4Å; W336-C389 HydrophobicContact CZ2-CB 4.39Å; C389-F400 HydrophobicContact CB-CD1 4.43Å; C389-F400 HydrophobicContact CB-CE1 4.46Å
390	L	98.8	Very high	98.2	Very high	7 Å²	7	30.6 Å²	30.6	4%	0.037	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	136.1	178.9	-174.2	135.8	0	0	0	110.6	V319 W320 Y321 D392 V398 S399 Y401 P447 V449	V319-L390 HydrophobicContact CG1-CD1 4.06Å; V319-L390 HydrophobicContact CG1-CD2 4.26Å; V319-L390 HydrophobicContact CG1-CG 4.2Å; W320-L390 WeakPolarHBondContact O-CA 3.29Å; Y321-L390 HydrophobicContact CD2-CB 3.92Å; Y321-L390 HydrophobicContact CD2-CD1 4.37Å; L390-D392 HydrophobicContact CD2-CB 4.31Å; L390-V398 CarbonylContact O-C 3.5Å; L390-V398 WeakPolarHBondContact O-CA 3.28Å; L390-S399 PolarHBondContact N-O 2.92Å; L390-S399 PolarHBondContact O-N 3.37Å; L390-Y401 HydrophobicContact CB-CE2 3.9Å; L390-P447 HydrophobicContact CD1-CB 4.26Å; L390-P447 HydrophobicContact CD1-CG 3.76Å; L390-V449 HydrophobicContact CD1-CG2 3.65Å
391	I	98.8	Very high	98.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	125	166.1	-169.3	163.4	0	0	0	109.3	V315 V319 W320 W336 V393 V398 F415 F422	V315-I391 HydrophobicContact CG1-CG2 4.11Å; V319-I391 CarbonylContact C-O 3.52Å; V319-I391 WeakPolarHBondContact CA-O 3.4Å; W320-I391 HydrophobicContact CB-CG2 3.92Å; W320-I391 PolarHBondContact N-O 3.01Å; W320-I391 PolarHBondContact O-N 3.26Å; W336-I391 HydrophobicContact CD2-CB 4.07Å; W336-I391 HydrophobicContact CD2-CD1 4.19Å; W336-I391 HydrophobicContact CD2-CG2 4.1Å; W336-I391 HydrophobicContact CE3-CB 4.4Å; W336-I391 HydrophobicContact CE3-CD1 4.32Å; W336-I391 HydrophobicContact CE3-CG2 3.96Å; W336-I391 HydrophobicContact CG-CD1 4.34Å; W336-I391 HydrophobicContact CH2-CB 4.07Å; W336-I391 HydrophobicContact CH2-CG2 3.25Å; W336-I391 HydrophobicContact CZ2-CB 3.72Å; W336-I391 HydrophobicContact CZ2-CG2 3.42Å; W336-I391 VanDerWaalsContact CZ2-CG2 3.42Å; W336-I391 HydrophobicContact CZ3-CB 4.38Å; W336-I391 HydrophobicContact CZ3-CG2 3.52Å; I391-V393 HydrophobicContact CG1-CG2 4.24Å; I391-V398 HydrophobicContact CB-CG2 4.42Å; I391-V398 HydrophobicContact CD1-CG2 3.98Å; I391-V398 HydrophobicContact CG1-CG2 3.91Å; I391-F415 HydrophobicContact CD1-CE2 4.38Å; I391-F415 HydrophobicContact CD1-CZ 3.87Å; I391-F415 HydrophobicContact CG1-CE2 4.22Å; I391-F415 HydrophobicContact CG1-CZ 3.74Å; I391-F422 HydrophobicContact CD1-CB 3.89Å; I391-F422 HydrophobicContact CD1-CD1 3.9Å; I391-F422 HydrophobicContact CD1-CD2 3.48Å; I391-F422 VanDerWaalsContact CD1-CD2 3.48Å; I391-F422 HydrophobicContact CD1-CE1 4.29Å; I391-F422 HydrophobicContact CD1-CE2 3.9Å; I391-F422 HydrophobicContact CD1-CG 3.47Å; I391-F422 VanDerWaalsContact CD1-CG 3.47Å; I391-F422 HydrophobicContact CD1-CZ 4.27Å
392	D	98.6	Very high	98.4	Very high	14 Å²	14	31.8 Å²	31.8	8%	0.075	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	98.9	169.3	-174.2	-24.1	0	0	0	107.8	V319 L390 N394 R395 K396 E397	V319-D392 HydrophobicContact CG1-CB 4.28Å; V319-D392 HydrophobicContact CG2-CB 4.17Å; L390-D392 HydrophobicContact CD2-CB 4.31Å; D392-N394 PolarHBondContact O-N 3.48Å; D392-N394 WeakPolarHBondContact OD1-CA 3.2Å; D392-N394 VanDerWaalsContact OD1-CB 3.3Å; D392-N394 WeakPolarHBondContact OD1-CB 3.25Å; D392-N394 PolarHBondContact OD1-N 3.32Å; D392-R395 HydrophobicContact CB-CB 4.17Å; D392-R395 PolarHBondContact OD1-N 2.94Å; D392-R395 WeakPolarHBondContact OD2-CD 3.07Å; D392-R395 VanDerWaalsContact OD2-CG 3.26Å; D392-R395 WeakPolarHBondContact OD2-CG 3.44Å; D392-R395 IonicContact OD2-NE 3.19Å; D392-K396 WeakPolarHBondContact O-CA 3.49Å; D392-K396 PolarHBondContact O-N 3.48Å; D392-E397 HydrophobicContact CB-CG 4.03Å; D392-E397 PolarHBondContact N-O 3.49Å; D392-E397 PolarHBondContact O-N 2.93Å
393	V	98.4	Very high	98.4	Very high	13 Å²	13	29.6 Å²	29.6	8%	0.079	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-29	179.9	-178.8	0	0	0	0	111.1	V315 G318 I391 K396 F415 Q419 F422	V315-V393 HydrophobicContact CG1-CG2 3.89Å; G318-V393 WeakPolarHBondContact O-CB 3.28Å; G318-V393 PolarHBondContact O-N 2.88Å; I391-V393 HydrophobicContact CG1-CG2 4.24Å; V393-K396 PolarHBondContact O-N 3.32Å; V393-F415 HydrophobicContact CB-CE1 4.41Å; V393-F415 HydrophobicContact CG1-CE1 4.23Å; V393-Q419 WeakPolarHBondContact CG1-O 3.49Å; V393-F422 HydrophobicContact CG2-CD2 4.22Å; V393-F422 HydrophobicContact CG2-CE2 4.36Å
394	N	96.6	Very high	98.4	Very high	98 Å²	98	29 Å²	29	52%	0.524	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-43.3	-179.7	-55.7	-29.9	0	0	0	111	N317 G318 D392 K396	N317-N394 PolarHBondContact OD1-OD1 3.38Å; N317-N394 VanDerWaalsContact OD1-OD1 3.04Å; G318-N394 PolarHBondContact N-OD1 2.96Å; D392-N394 PolarHBondContact O-N 3.48Å; D392-N394 WeakPolarHBondContact OD1-CA 3.2Å; D392-N394 VanDerWaalsContact OD1-CB 3.3Å; D392-N394 WeakPolarHBondContact OD1-CB 3.25Å; D392-N394 PolarHBondContact OD1-N 3.32Å; N394-K396 VanDerWaalsContact C-N 3.34Å
395	R	97.7	Very high	98.4	Very high	169 Å²	169	32.2 Å²	32.2	64%	0.638	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-5.9	176.7	-67.9	-174.5	175	178.8	0.6	113.8	D392 E397	D392-R395 HydrophobicContact CB-CB 4.17Å; D392-R395 PolarHBondContact OD1-N 2.94Å; D392-R395 WeakPolarHBondContact OD2-CD 3.07Å; D392-R395 VanDerWaalsContact OD2-CG 3.26Å; D392-R395 WeakPolarHBondContact OD2-CG 3.44Å; D392-R395 IonicContact OD2-NE 3.19Å; R395-E397 HydrophobicContact CB-CG 3.93Å; R395-E397 VanDerWaalsContact CD-OE1 3.31Å; R395-E397 WeakPolarHBondContact CD-OE1 3.46Å; R395-E397 IonicContact NH1-OE1 2.91Å
396	K	98.3	Very high	98.3	Very high	99 Å²	99	35 Å²	35	43%	0.43	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	47.6	-178.6	-58.8	-172.4	-175	-163.3	0	112	D392 V393 N394 R412 F415 Q419	D392-K396 WeakPolarHBondContact O-CA 3.49Å; D392-K396 PolarHBondContact O-N 3.48Å; V393-K396 PolarHBondContact O-N 3.32Å; N394-K396 VanDerWaalsContact C-N 3.34Å; K396-R412 WeakPolarHBondContact O-CG 3.36Å; K396-F415 VanDerWaalsContact CA-CD2 3.49Å; K396-F415 HydrophobicContact CB-CB 3.67Å; K396-F415 HydrophobicContact CB-CD1 3.83Å; K396-F415 HydrophobicContact CB-CD2 3.92Å; K396-F415 HydrophobicContact CB-CE1 4.39Å; K396-F415 HydrophobicContact CB-CE2 4.48Å; K396-F415 HydrophobicContact CB-CG 3.54Å; K396-F415 HydrophobicContact CD-CB 4.25Å; K396-F415 HydrophobicContact CG-CB 4.21Å; K396-F415 HydrophobicContact CG-CD1 3.92Å; K396-F415 HydrophobicContact CG-CE1 4.48Å; K396-F415 HydrophobicContact CG-CG 4.12Å; K396-F415 WeakPolarHBondContact O-CD2 3.4Å; K396-Q419 VanDerWaalsContact CE-OE1 3.31Å
397	E	98	Very high	98.3	Very high	19 Å²	19	35.2 Å²	35.2	9%	0.089	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	145.4	-179.8	67	-171.8	176.5	0	0	113.7	D392 R395 P410 F411 R412	D392-E397 HydrophobicContact CB-CG 4.03Å; D392-E397 PolarHBondContact N-O 3.49Å; D392-E397 PolarHBondContact O-N 2.93Å; R395-E397 HydrophobicContact CB-CG 3.93Å; R395-E397 VanDerWaalsContact CD-OE1 3.31Å; R395-E397 WeakPolarHBondContact CD-OE1 3.46Å; R395-E397 IonicContact NH1-OE1 2.91Å; E397-P410 HydrophobicContact CB-CB 3.89Å; E397-P410 HydrophobicContact CG-CB 4.22Å; E397-P410 WeakPolarHBondContact OE2-CB 3.44Å; E397-F411 CarbonylContact C-O 3.14Å; E397-F411 VanDerWaalsContact CA-O 3.31Å; E397-F411 WeakPolarHBondContact CA-O 3.32Å; E397-R412 HydrophobicContact CB-CG 4.14Å; E397-R412 IonicContact OE2-CZ 2.83Å; E397-R412 IonicContact OE2-NE 3.3Å; E397-R412 IonicContact OE2-NH1 3.53Å; E397-R412 IonicContact OE2-NH2 2.68Å; E397-R412 PolarHBondContact OE2-NH2 2.99Å
398	V	98.6	Very high	98.1	Very high	1 Å²	1	37 Å²	37	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	134.3	171.8	176.8	0	0	0	0	108.4	I358 L390 I391 F400 P410 F411 L414 F415	I358-V398 HydrophobicContact CD1-CG1 4.49Å; I358-V398 HydrophobicContact CG2-CG1 4.13Å; I358-V398 HydrophobicContact CG2-CG2 4.29Å; L390-V398 CarbonylContact O-C 3.5Å; L390-V398 WeakPolarHBondContact O-CA 3.28Å; I391-V398 HydrophobicContact CB-CG2 4.42Å; I391-V398 HydrophobicContact CD1-CG2 3.98Å; I391-V398 HydrophobicContact CG1-CG2 3.91Å; V398-F400 HydrophobicContact CG1-CD2 4.32Å; V398-F400 HydrophobicContact CG1-CE2 3.65Å; V398-F400 HydrophobicContact CG1-CZ 3.83Å; V398-P410 CarbonylContact O-C 3.54Å; V398-P410 WeakPolarHBondContact O-CA 3.42Å; V398-F411 PolarHBondContact N-O 3.37Å; V398-F411 PolarHBondContact O-N 3.24Å; V398-L414 HydrophobicContact CG2-CD2 4.06Å; V398-F415 HydrophobicContact CG2-CE2 4.08Å
399	S	98.6	Very high	98	Very high	7 Å²	7	47.6 Å²	47.6	5%	0.049	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	142.7	175.6	-60	0	0	0	0	110.8	L390	L390-S399 PolarHBondContact N-O 2.92Å; L390-S399 PolarHBondContact O-N 3.37Å
400	F	98.7	Very high	97.9	Very high	5 Å²	5	49.4 Å²	49.4	2%	0.022	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	150.8	175.9	-62.9	-85.4	0	0	0	110.2	I334 I358 L367 L387 G388 C389 V398 I407	I334-F400 WeakPolarHBondContact O-CE1 3.49Å; I358-F400 HydrophobicContact CD1-CE2 4.09Å; I358-F400 HydrophobicContact CG1-CE2 4.24Å; I358-F400 HydrophobicContact CG1-CZ 4.39Å; I358-F400 HydrophobicContact CG2-CZ 4.37Å; L367-F400 HydrophobicContact CD1-CD2 3.64Å; L367-F400 HydrophobicContact CD1-CE2 3.36Å; L367-F400 HydrophobicContact CD1-CZ 4.28Å; L387-F400 HydrophobicContact CD1-CB 4.47Å; L387-F400 HydrophobicContact CD1-CD1 4.5Å; G388-F400 CarbonylContact O-C 3.56Å; G388-F400 WeakPolarHBondContact O-CA 3.48Å; C389-F400 HydrophobicContact CB-CD1 4.43Å; C389-F400 HydrophobicContact CB-CE1 4.46Å; V398-F400 HydrophobicContact CG1-CD2 4.32Å; V398-F400 HydrophobicContact CG1-CE2 3.65Å; V398-F400 HydrophobicContact CG1-CZ 3.83Å; F400-I407 HydrophobicContact CB-CB 4.14Å; F400-I407 HydrophobicContact CB-CD1 3.76Å; F400-I407 HydrophobicContact CB-CG1 4.46Å; F400-I407 PolarHBondContact O-N 2.96Å
401	Y	98.6	Very high	97.8	Very high	34 Å²	34	50.2 Å²	50.2	13%	0.133	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	135.2	-178.9	-57	-99.7	0	0	0	109.9	Y321 L387 G388 L390 V405 I406	Y321-Y401 HydrophobicContact CE2-CD2 4.2Å; L387-Y401 CarbonylContact C-O 3.38Å; L387-Y401 WeakPolarHBondContact CA-O 3.38Å; L387-Y401 WeakPolarHBondContact CD1-O 3.31Å; G388-Y401 PolarHBondContact N-O 3.39Å; G388-Y401 PolarHBondContact O-N 3.4Å; L390-Y401 HydrophobicContact CB-CE2 3.9Å; Y401-V405 CarbonylContact C-O 3.57Å; Y401-V405 VanDerWaalsContact CA-O 3.23Å; Y401-V405 WeakPolarHBondContact CA-O 3.43Å; Y401-I406 HydrophobicContact CD1-CB 3.98Å; Y401-I406 HydrophobicContact CD1-CG1 4.37Å; Y401-I406 HydrophobicContact CE1-CB 3.89Å; Y401-I406 HydrophobicContact CE1-CD1 4.33Å; Y401-I406 HydrophobicContact CE1-CG1 4.03Å
402	L	98.6	Very high	97.8	Very high	11 Å²	11	56.6 Å²	56.6	6%	0.058	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	115.3	168.9	-173.7	65.5	0	0	0	108.5	K379 W381 D385 G404 V405 I407	K379-L402 HydrophobicContact CG-CD2 3.87Å; W381-L402 HydrophobicContact CB-CD1 4.07Å; D385-L402 HydrophobicContact CB-CD1 3.86Å; L402-G404 PolarHBondContact O-N 3.48Å; L402-V405 PolarHBondContact N-O 3.25Å; L402-V405 WeakPolarHBondContact O-CB 3.36Å; L402-V405 PolarHBondContact O-N 2.83Å; L402-I407 HydrophobicContact CB-CD1 4.08Å; L402-I407 HydrophobicContact CB-CG1 4.25Å
403	N	98.4	Very high	97.7	Very high	42 Å²	42	57.9 Å²	57.9	23%	0.225	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	43.6	-175.2	-58.7	-24.6	0	0	0	112.5	D385 V386 V405 Y445	D385-N403 WeakPolarHBondContact CA-OD1 3.48Å; D385-N403 PolarHBondContact OD1-ND2 3.13Å; V386-N403 PolarHBondContact N-OD1 3.41Å; V386-N403 PolarHBondContact O-N 2.98Å; N403-V405 VanDerWaalsContact C-N 3.25Å; N403-V405 PolarHBondContact O-N 3.1Å; N403-Y445 VanDerWaalsContact C-CD1 3.47Å; N403-Y445 HydrophobicContact CB-CE1 4.2Å; N403-Y445 HydrophobicContact CB-CE2 4.04Å; N403-Y445 WeakPolarHBondContact O-CD1 3.43Å
404	G	97.9	Very high	97.7	Very high	39 Å²	39	57.3 Å²	57.3	40%	0.402	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	-7.5	-178.3	0	0	0	0	0	115.7	L402	L402-G404 PolarHBondContact O-N 3.48Å
405	V	97.5	Very high	97.7	Very high	97 Å²	97	53.1 Å²	53.1	59%	0.588	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	123	176.6	-177.5	0	0	0	0	109.9	Y401 L402 N403 I407	Y401-V405 CarbonylContact C-O 3.57Å; Y401-V405 VanDerWaalsContact CA-O 3.23Å; Y401-V405 WeakPolarHBondContact CA-O 3.43Å; L402-V405 PolarHBondContact N-O 3.25Å; L402-V405 WeakPolarHBondContact O-CB 3.36Å; L402-V405 PolarHBondContact O-N 2.83Å; N403-V405 VanDerWaalsContact C-N 3.25Å; N403-V405 PolarHBondContact O-N 3.1Å; V405-I407 PolarHBondContact O-N 3.45Å
406	I	97.5	Very high	97.7	Very high	76 Å²	76	52.5 Å²	52.5	39%	0.39	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	135.4	179.9	-165.2	168.4	0	0	0	111.7	Y401	Y401-I406 HydrophobicContact CD1-CB 3.98Å; Y401-I406 HydrophobicContact CD1-CG1 4.37Å; Y401-I406 HydrophobicContact CE1-CB 3.89Å; Y401-I406 HydrophobicContact CE1-CD1 4.33Å; Y401-I406 HydrophobicContact CE1-CG1 4.03Å
407	I	97.8	Very high	97.6	Very high	8 Å²	8	51 Å²	51	4%	0.041	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	111.1	175.9	-61.3	160.2	0	0	0	108	Y360 Q376 V378 L387 F400 L402 V405	Y360-I407 HydrophobicContact CD1-CD1 3.67Å; Y360-I407 HydrophobicContact CD2-CD1 4.38Å; Y360-I407 HydrophobicContact CD2-CG2 4.05Å; Y360-I407 HydrophobicContact CE1-CD1 3.48Å; Y360-I407 VanDerWaalsContact CE1-CD1 3.48Å; Y360-I407 HydrophobicContact CE2-CD1 4.24Å; Y360-I407 HydrophobicContact CE2-CG2 3.69Å; Y360-I407 HydrophobicContact CG-CD1 4.1Å; Q376-I407 HydrophobicContact CB-CG2 3.84Å; Q376-I407 HydrophobicContact CG-CG2 3.71Å; V378-I407 HydrophobicContact CG1-CG1 4.4Å; V378-I407 HydrophobicContact CG1-CG2 4.45Å; V378-I407 HydrophobicContact CG2-CG2 4.23Å; L387-I407 HydrophobicContact CD1-CD1 3.85Å; F400-I407 HydrophobicContact CB-CB 4.14Å; F400-I407 HydrophobicContact CB-CD1 3.76Å; F400-I407 HydrophobicContact CB-CG1 4.46Å; F400-I407 PolarHBondContact O-N 2.96Å; L402-I407 HydrophobicContact CB-CD1 4.08Å; L402-I407 HydrophobicContact CB-CG1 4.25Å; V405-I407 PolarHBondContact O-N 3.45Å
408	G	95.3	Very high	97.5	Very high	37 Å²	37	50.6 Å²	50.6	38%	0.381	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	63.6	-140.6	175.7	0	0	0	0	0	113.1
409	R	95.7	Very high	97.4	Very high	223 Å²	223	54.6 Å²	54.6	84%	0.842	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	154.4	179.5	-65.3	-179.2	-177	-108.2	0.7	109.9	F411	R409-F411 PolarHBondContact O-N 2.89Å
410	P	96.9	Very high	97.3	Very high	38 Å²	38	60 Å²	60	25%	0.247	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	128.2	174.3	-24.3	32.5	0	0	0	111.8	E397 V398 R412	E397-P410 HydrophobicContact CB-CB 3.89Å; E397-P410 HydrophobicContact CG-CB 4.22Å; E397-P410 WeakPolarHBondContact OE2-CB 3.44Å; V398-P410 CarbonylContact O-C 3.54Å; V398-P410 WeakPolarHBondContact O-CA 3.42Å; P410-R412 PolarHBondContact O-NH1 2.79Å
411	F	97.6	Very high	97.2	Very high	25 Å²	25	60.1 Å²	60.1	11%	0.11	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	133.9	-178.3	-167.9	-91.6	0	0	0	110.9	I358 L367 F369 F374 E397 V398 R409 S413 L414	I358-F411 HydrophobicContact CD1-CB 3.69Å; I358-F411 HydrophobicContact CD1-CD1 3.2Å; I358-F411 HydrophobicContact CD1-CD2 4.13Å; I358-F411 HydrophobicContact CD1-CE1 3.72Å; I358-F411 HydrophobicContact CD1-CG 3.4Å; I358-F411 VanDerWaalsContact CD1-CG 3.4Å; I358-F411 HydrophobicContact CD1-CZ 4.37Å; I358-F411 HydrophobicContact CG1-CD1 4.46Å; L367-F411 HydrophobicContact CD2-CB 4.25Å; L367-F411 HydrophobicContact CD2-CD2 3.36Å; L367-F411 HydrophobicContact CD2-CE2 3.86Å; L367-F411 HydrophobicContact CD2-CG 4Å; F369-F411 HydrophobicContact CB-CE1 4.12Å; F369-F411 HydrophobicContact CB-CE2 4.45Å; F369-F411 HydrophobicContact CB-CZ 3.68Å; F369-F411 AromaticContact CD1-CE1 3.99Å; F369-F411 HydrophobicContact CD1-CE1 3.99Å; F369-F411 AromaticContact CD1-CZ 3.49Å; F369-F411 HydrophobicContact CD1-CZ 3.49Å; F369-F411 VanDerWaalsContact CD1-CZ 3.49Å; F369-F411 AromaticContact CD2-CE1 3.74Å; F369-F411 HydrophobicContact CD2-CE1 3.74Å; F369-F411 HydrophobicContact CD2-CZ 4.03Å; F369-F411 HydrophobicContact CE1-CE1 4.33Å; F369-F411 HydrophobicContact CE1-CZ 4.1Å; F369-F411 HydrophobicContact CE2-CE1 4.14Å; F369-F411 AromaticContact CG-CE1 3.66Å; F369-F411 HydrophobicContact CG-CE1 3.66Å; F369-F411 AromaticContact CG-CZ 3.43Å; F369-F411 HydrophobicContact CG-CZ 3.43Å; F369-F411 VanDerWaalsContact CG-CZ 3.43Å; F369-F411 HydrophobicContact CZ-CE1 4.41Å; F374-F411 HydrophobicContact CE2-CE2 4.38Å; E397-F411 CarbonylContact C-O 3.14Å; E397-F411 VanDerWaalsContact CA-O 3.31Å; E397-F411 WeakPolarHBondContact CA-O 3.32Å; V398-F411 PolarHBondContact N-O 3.37Å; V398-F411 PolarHBondContact O-N 3.24Å; R409-F411 PolarHBondContact O-N 2.89Å; F411-S413 VanDerWaalsContact CE1-CB 3.5Å; F411-L414 HydrophobicContact CD1-CB 4.44Å; F411-L414 HydrophobicContact CE1-CB 4.39Å
412	R	97.8	Very high	97.2	Very high	134 Å²	134	58.5 Å²	58.5	51%	0.506	30%	0.304	S	S	.	.			trans	-120.8	-16.2	-173.9	-62.1	-176.2	170.7	72.1	1.7	114.5	K396 E397 P410 L414 F415	K396-R412 WeakPolarHBondContact O-CG 3.36Å; E397-R412 HydrophobicContact CB-CG 4.14Å; E397-R412 IonicContact OE2-CZ 2.83Å; E397-R412 IonicContact OE2-NE 3.3Å; E397-R412 IonicContact OE2-NH1 3.53Å; E397-R412 IonicContact OE2-NH2 2.68Å; E397-R412 PolarHBondContact OE2-NH2 2.99Å; P410-R412 PolarHBondContact O-NH1 2.79Å; R412-L414 VanDerWaalsContact C-N 3.27Å; R412-L414 PolarHBondContact O-N 3.44Å; R412-F415 WeakPolarHBondContact O-CB 3.45Å; R412-F415 PolarHBondContact O-N 2.89Å
413	S	97.4	Very high	97.2	Very high	41 Å²	41	58.9 Å²	58.9	29%	0.287	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-66.8	-26.8	-171.1	-46.7	0	0	0	0	113.4	F411 F415 Q416	F411-S413 VanDerWaalsContact CE1-CB 3.5Å; S413-F415 PolarHBondContact O-N 3.32Å; S413-Q416 VanDerWaalsContact O-CB 3.28Å; S413-Q416 WeakPolarHBondContact O-CB 3.37Å; S413-Q416 WeakPolarHBondContact O-CG 3.29Å; S413-Q416 PolarHBondContact O-N 3.39Å
414	L	97.4	Very high	97.2	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-54.9	-37.8	172.6	179	64.2	0	0	0	111.6	I358 F369 V398 F411 R412 Q416 V417 A418 F422	I358-L414 HydrophobicContact CB-CD2 4.44Å; I358-L414 HydrophobicContact CG2-CD2 3.71Å; F369-L414 HydrophobicContact CE2-CB 4.09Å; F369-L414 HydrophobicContact CE2-CD1 4.14Å; V398-L414 HydrophobicContact CG2-CD2 4.06Å; F411-L414 HydrophobicContact CD1-CB 4.44Å; F411-L414 HydrophobicContact CE1-CB 4.39Å; R412-L414 VanDerWaalsContact C-N 3.27Å; R412-L414 PolarHBondContact O-N 3.44Å; L414-Q416 PolarHBondContact O-N 3.48Å; L414-Q416 VanDerWaalsContact O-N 3.14Å; L414-V417 WeakPolarHBondContact O-CG2 3.45Å; L414-V417 PolarHBondContact O-N 3.27Å; L414-A418 PolarHBondContact O-N 2.96Å; L414-A418 VanDerWaalsContact O-N 3.1Å; L414-F422 HydrophobicContact CD1-CE1 4.32Å; L414-F422 HydrophobicContact CD2-CD1 4Å; L414-F422 HydrophobicContact CD2-CE1 3.56Å; L414-F422 HydrophobicContact CD2-CZ 4.41Å; L414-F422 HydrophobicContact CG-CE1 3.78Å; L414-F422 HydrophobicContact CG-CZ 4.47Å
415	F	98	Very high	97.2	Very high	10 Å²	10	55.1 Å²	55.1	4%	0.044	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-76.5	8.6	178.1	-68.9	-88.7	0	0	0	114.5	I391 V393 K396 V398 R412 S413 A418 Q419 F422	I391-F415 HydrophobicContact CD1-CE2 4.38Å; I391-F415 HydrophobicContact CD1-CZ 3.87Å; I391-F415 HydrophobicContact CG1-CE2 4.22Å; I391-F415 HydrophobicContact CG1-CZ 3.74Å; V393-F415 HydrophobicContact CB-CE1 4.41Å; V393-F415 HydrophobicContact CG1-CE1 4.23Å; K396-F415 VanDerWaalsContact CA-CD2 3.49Å; K396-F415 HydrophobicContact CB-CB 3.67Å; K396-F415 HydrophobicContact CB-CD1 3.83Å; K396-F415 HydrophobicContact CB-CD2 3.92Å; K396-F415 HydrophobicContact CB-CE1 4.39Å; K396-F415 HydrophobicContact CB-CE2 4.48Å; K396-F415 HydrophobicContact CB-CG 3.54Å; K396-F415 HydrophobicContact CD-CB 4.25Å; K396-F415 HydrophobicContact CG-CB 4.21Å; K396-F415 HydrophobicContact CG-CD1 3.92Å; K396-F415 HydrophobicContact CG-CE1 4.48Å; K396-F415 HydrophobicContact CG-CG 4.12Å; K396-F415 WeakPolarHBondContact O-CD2 3.4Å; V398-F415 HydrophobicContact CG2-CE2 4.08Å; R412-F415 WeakPolarHBondContact O-CB 3.45Å; R412-F415 PolarHBondContact O-N 2.89Å; S413-F415 PolarHBondContact O-N 3.32Å; F415-A418 VanDerWaalsContact CA-O 3.29Å; F415-A418 WeakPolarHBondContact CA-O 3.29Å; F415-Q419 PolarHBondContact O-NE2 3.5Å; F415-F422 HydrophobicContact CD1-CE2 4.27Å; F415-F422 HydrophobicContact CD1-CZ 4.01Å; F415-F422 AromaticContact CE1-CE2 3.54Å; F415-F422 HydrophobicContact CE1-CE2 3.54Å; F415-F422 AromaticContact CE1-CZ 3.66Å; F415-F422 HydrophobicContact CE1-CZ 3.66Å; F415-F422 AromaticContact CZ-CE2 3.97Å; F415-F422 HydrophobicContact CZ-CE2 3.97Å; F415-F422 HydrophobicContact CZ-CZ 4.06Å
416	Q	97	Very high	97.3	Very high	156 Å²	156	50.5 Å²	50.5	73%	0.729	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-85.9	-28.1	167.8	-62.8	176.2	3	0	0	111.4	S413 L414	S413-Q416 VanDerWaalsContact O-CB 3.28Å; S413-Q416 WeakPolarHBondContact O-CB 3.37Å; S413-Q416 WeakPolarHBondContact O-CG 3.29Å; S413-Q416 PolarHBondContact O-N 3.39Å; L414-Q416 PolarHBondContact O-N 3.48Å; L414-Q416 VanDerWaalsContact O-N 3.14Å
417	V	96.3	Very high	97.3	Very high	68 Å²	68	46.9 Å²	46.9	41%	0.412	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-26.9	-177.3	-58.5	0	0	0	0	113.6	E355 Y356 L414	E355-V417 HydrophobicContact CB-CG1 4.34Å; E355-V417 HydrophobicContact CB-CG2 4.24Å; E355-V417 HydrophobicContact CG-CG1 4.35Å; E355-V417 HydrophobicContact CG-CG2 4.32Å; E355-V417 WeakPolarHBondContact O-CG2 3.34Å; Y356-V417 HydrophobicContact CD1-CG2 4.12Å; Y356-V417 HydrophobicContact CE1-CB 4.28Å; Y356-V417 HydrophobicContact CE1-CG2 4.36Å; L414-V417 WeakPolarHBondContact O-CG2 3.45Å; L414-V417 PolarHBondContact O-N 3.27Å
418	A	95.8	Very high	97.2	Very high	10 Å²	10	46.5 Å²	46.5	8%	0.083	23%	0.227	C	C	.	.			trans	-130.1	126.4	178.4	0	0	0	0	0	111	T338 L414 F415 F422	T338-A418 HydrophobicContact CG2-CB 3.7Å; L414-A418 PolarHBondContact O-N 2.96Å; L414-A418 VanDerWaalsContact O-N 3.1Å; F415-A418 VanDerWaalsContact CA-O 3.29Å; F415-A418 WeakPolarHBondContact CA-O 3.29Å; A418-F422 HydrophobicContact CB-CE1 3.84Å; A418-F422 HydrophobicContact CB-CZ 3.99Å; A418-F422 WeakPolarHBondContact O-CZ 3.48Å
419	Q	95.9	Very high	97.1	Very high	86 Å²	86	47.3 Å²	47.3	40%	0.402	22%	0.222	S	C	.	.	S	Bend	trans	-96.6	-18	177.3	-58	-56.3	-60.3	0	0	113.2	V393 K396 F415	V393-Q419 WeakPolarHBondContact CG1-O 3.49Å; K396-Q419 VanDerWaalsContact CE-OE1 3.31Å; F415-Q419 PolarHBondContact O-NE2 3.5Å
420	Q	96.3	Very high	96.9	Very high	120 Å²	120	36.9 Å²	36.9	56%	0.561	18%	0.183	S	C	*	.	S	Bend	trans	-161.1	-178.5	-171.5	66	178.8	61.7	0	0	109.3	N316	N316-Q420 HydrophobicContact CB-CB 4.38Å; N316-Q420 WeakPolarHBondContact OD1-CB 3.34Å; N316-Q420 PolarHBondContact OD1-NE2 3.23Å
421	G	97.3	Very high	96.9	Very high	8 Å²	8	35.3 Å²	35.3	8%	0.082	17%	0.172	C	C	.	.			trans	82	29.1	173.7	0	0	0	0	0	114.5	V315 N316 T338 Y423	V315-G421 PolarHBondContact O-N 2.87Å; V315-G421 VanDerWaalsContact O-N 3.08Å; N316-G421 PolarHBondContact OD1-N 3.05Å; T338-G421 WeakPolarHBondContact CA-O 3.45Å; G421-Y423 WeakPolarHBondContact O-CD2 3.42Å; G421-Y423 WeakPolarHBondContact O-CE2 3.47Å
422	F	98.5	Very high	96.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-86.9	140.9	-174.7	-56.2	-75.8	0	0	0	112.4	V315 W336 T338 I391 V393 L414 F415 A418	V315-F422 HydrophobicContact CB-CB 4.34Å; V315-F422 WeakPolarHBondContact CB-O 3.24Å; V315-F422 PolarHBondContact N-O 2.95Å; V315-F422 PolarHBondContact O-N 3.12Å; W336-F422 HydrophobicContact CE3-CB 4.01Å; T338-F422 HydrophobicContact CG2-CD1 3.77Å; T338-F422 HydrophobicContact CG2-CE1 3.9Å; I391-F422 HydrophobicContact CD1-CB 3.89Å; I391-F422 HydrophobicContact CD1-CD1 3.9Å; I391-F422 HydrophobicContact CD1-CD2 3.48Å; I391-F422 VanDerWaalsContact CD1-CD2 3.48Å; I391-F422 HydrophobicContact CD1-CE1 4.29Å; I391-F422 HydrophobicContact CD1-CE2 3.9Å; I391-F422 HydrophobicContact CD1-CG 3.47Å; I391-F422 VanDerWaalsContact CD1-CG 3.47Å; I391-F422 HydrophobicContact CD1-CZ 4.27Å; V393-F422 HydrophobicContact CG2-CD2 4.22Å; V393-F422 HydrophobicContact CG2-CE2 4.36Å; L414-F422 HydrophobicContact CD1-CE1 4.32Å; L414-F422 HydrophobicContact CD2-CD1 4Å; L414-F422 HydrophobicContact CD2-CE1 3.56Å; L414-F422 HydrophobicContact CD2-CZ 4.41Å; L414-F422 HydrophobicContact CG-CE1 3.78Å; L414-F422 HydrophobicContact CG-CZ 4.47Å; F415-F422 HydrophobicContact CD1-CE2 4.27Å; F415-F422 HydrophobicContact CD1-CZ 4.01Å; F415-F422 AromaticContact CE1-CE2 3.54Å; F415-F422 HydrophobicContact CE1-CE2 3.54Å; F415-F422 AromaticContact CE1-CZ 3.66Å; F415-F422 HydrophobicContact CE1-CZ 3.66Å; F415-F422 AromaticContact CZ-CE2 3.97Å; F415-F422 HydrophobicContact CZ-CE2 3.97Å; F415-F422 HydrophobicContact CZ-CZ 4.06Å; A418-F422 HydrophobicContact CB-CE1 3.84Å; A418-F422 HydrophobicContact CB-CZ 3.99Å; A418-F422 WeakPolarHBondContact O-CZ 3.48Å
423	Y	98.5	Very high	96.9	Very high	19 Å²	19	28 Å²	28	8%	0.075	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142.6	174.8	-66.1	-97.9	0	0	0	108.5	R310 C311 F313 E314 W336 A337 K339 G421 A425	R310-Y423 HydrophobicContact CB-CG 4.4Å; C311-Y423 VanDerWaalsContact O-CD1 3.25Å; C311-Y423 WeakPolarHBondContact O-CD1 3.46Å; F313-Y423 VanDerWaalsContact O-CD1 3.3Å; F313-Y423 WeakPolarHBondContact O-CD1 3.41Å; E314-Y423 HydrophobicContact CB-CE1 3.87Å; E314-Y423 HydrophobicContact CB-CE2 4.02Å; E314-Y423 VanDerWaalsContact CB-CZ 3.49Å; E314-Y423 WeakPolarHBondContact CB-OH 3.35Å; E314-Y423 HydrophobicContact CG-CD2 4.44Å; E314-Y423 HydrophobicContact CG-CE1 4.38Å; E314-Y423 HydrophobicContact CG-CE2 3.6Å; E314-Y423 WeakPolarHBondContact CG-OH 3.36Å; E314-Y423 PolarHBondContact OE2-OH 3.09Å; W336-Y423 VanDerWaalsContact CA-O 3.3Å; W336-Y423 WeakPolarHBondContact CA-O 3.41Å; A337-Y423 PolarHBondContact N-O 3.37Å; A337-Y423 PolarHBondContact O-N 2.86Å; K339-Y423 WeakPolarHBondContact CE-OH 3.28Å; K339-Y423 HydrophobicContact CG-CE2 3.88Å; K339-Y423 PolarHBondContact NZ-OH 2.86Å; G421-Y423 WeakPolarHBondContact O-CD2 3.42Å; G421-Y423 WeakPolarHBondContact O-CE2 3.47Å; Y423-A425 PolarHBondContact O-N 3.22Å
424	A	98.7	Very high	96.9	Very high	1 Å²	1	26 Å²	26	1%	0.008	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	133.3	161.6	0	0	0	0	0	108.1	R310 C311 Y322 G335 F438 F454	R310-A424 CarbonylContact C-O 3.5Å; R310-A424 WeakPolarHBondContact CA-O 3.4Å; C311-A424 HydrophobicContact CB-CB 4.14Å; C311-A424 PolarHBondContact N-O 2.98Å; C311-A424 PolarHBondContact SG-N 3.05Å; Y322-A424 HydrophobicContact CD1-CB 3.78Å; Y322-A424 HydrophobicContact CD2-CB 4.49Å; Y322-A424 HydrophobicContact CE1-CB 3.4Å; Y322-A424 HydrophobicContact CE2-CB 4.2Å; Y322-A424 HydrophobicContact CG-CB 4.31Å; G335-A424 WeakPolarHBondContact O-CA 3.2Å; A424-F438 HydrophobicContact CB-CE1 3.65Å; A424-F438 HydrophobicContact CB-CZ 4.3Å; A424-F454 HydrophobicContact CB-CE1 4.32Å; A424-F454 HydrophobicContact CB-CZ 4.06Å
425	A	98.7	Very high	97	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.008	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	154	-174	0	0	0	0	0	111.3	V309 R310 G335 A337 V351 Y423	V309-A425 CarbonylContact O-C 3.51Å; V309-A425 WeakPolarHBondContact O-CA 3.43Å; R310-A425 HydrophobicContact CG-CB 3.99Å; G335-A425 PolarHBondContact N-O 2.91Å; G335-A425 PolarHBondContact O-N 3.48Å; A337-A425 HydrophobicContact CB-CB 3.66Å; V351-A425 HydrophobicContact CG1-CB 4.2Å; V351-A425 HydrophobicContact CG2-CB 3.66Å; Y423-A425 PolarHBondContact O-N 3.22Å
426	A	98.6	Very high	97	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	153	173.4	0	0	0	0	0	112.4	S308 V309 Q333 I334 F428 F436	S308-A426 CarbonylContact C-O 3.49Å; S308-A426 WeakPolarHBondContact CA-O 3.37Å; V309-A426 PolarHBondContact N-O 3.42Å; V309-A426 PolarHBondContact O-N 3.08Å; Q333-A426 CarbonylContact O-C 3.51Å; Q333-A426 WeakPolarHBondContact O-CA 3.28Å; I334-A426 HydrophobicContact CB-CB 4.49Å; I334-A426 HydrophobicContact CG1-CB 4.01Å; I334-A426 HydrophobicContact CG2-CB 4.49Å; A426-F428 HydrophobicContact CB-CD2 4.46Å; A426-F428 HydrophobicContact CB-CE2 3.59Å; A426-F428 HydrophobicContact CB-CZ 3.75Å; A426-F436 HydrophobicContact CB-CE1 4.15Å; A426-F436 HydrophobicContact CB-CZ 3.55Å
427	S	97.6	Very high	97.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	140.6	168.4	-56.7	0	0	0	0	110.9	F306 E307 S308 M332 Q333 G350 V351	F306-S427 VanDerWaalsContact CE2-C 3.42Å; F306-S427 WeakPolarHBondContact CE2-O 3.4Å; F306-S427 VanDerWaalsContact CZ-CB 3.47Å; E307-S427 CarbonylContact O-C 3.49Å; E307-S427 VanDerWaalsContact O-CA 3.28Å; E307-S427 WeakPolarHBondContact O-CA 3.5Å; S308-S427 WeakPolarHBondContact CB-OG 3.46Å; S308-S427 PolarHBondContact OG-OG 3.4Å; M332-S427 CarbonylContact C-O 3.55Å; M332-S427 VanDerWaalsContact CA-O 3.25Å; M332-S427 WeakPolarHBondContact CA-O 3.38Å; Q333-S427 PolarHBondContact N-O 3.25Å; Q333-S427 PolarHBondContact O-N 3.45Å; G350-S427 WeakPolarHBondContact CA-OG 3.26Å; V351-S427 WeakPolarHBondContact CG2-OG 3.5Å; V351-S427 PolarHBondContact N-OG 3.05Å
428	F	95.8	Very high	97.2	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	117.9	-168	-61.5	-94.2	0	0	0	110.8	L290 A299 F306 E307 V309 M332 A426 Q432 C434 F436	L290-F428 HydrophobicContact CD1-CB 4.4Å; L290-F428 HydrophobicContact CD1-CD2 3.65Å; L290-F428 HydrophobicContact CD1-CE2 4.18Å; L290-F428 HydrophobicContact CD1-CG 4.15Å; L290-F428 HydrophobicContact CD2-CE2 4.48Å; A299-F428 HydrophobicContact CB-CE1 4.45Å; A299-F428 HydrophobicContact CB-CE2 4.04Å; A299-F428 HydrophobicContact CB-CZ 3.82Å; F306-F428 WeakPolarHBondContact CD2-O 3.49Å; E307-F428 PolarHBondContact N-O 2.96Å; E307-F428 WeakPolarHBondContact O-CD2 3.38Å; E307-F428 PolarHBondContact O-N 3.3Å; V309-F428 HydrophobicContact CG1-CE2 4.11Å; M332-F428 HydrophobicContact CG-CD1 3.94Å; M332-F428 HydrophobicContact CG-CE1 4.49Å; M332-F428 HydrophobicContact SD-CD1 3.65Å; M332-F428 HydrophobicContact SD-CE1 3.75Å; A426-F428 HydrophobicContact CB-CD2 4.46Å; A426-F428 HydrophobicContact CB-CE2 3.59Å; A426-F428 HydrophobicContact CB-CZ 3.75Å; F428-Q432 HydrophobicContact CB-CB 4.45Å; F428-Q432 HydrophobicContact CD1-CB 4.33Å; F428-C434 HydrophobicContact CE1-CB 4.33Å; F428-C434 WeakPolarHBondContact CE1-SG 3.37Å; F428-C434 VanDerWaalsContact CZ-SG 3.58Å; F428-F436 HydrophobicContact CZ-CE2 4.05Å; F428-F436 HydrophobicContact CZ-CZ 4.11Å
429	M	92.5	Very high	97.3	Very high	54 Å²	54	17.6 Å²	17.6	27%	0.266	9%	0.09	S	C	.	.			trans	-66.7	165.7	166.1	-174.4	171.9	-84.5	0	0	109.2	A101 F306 I331 F431 Q432	A101-M429 HydrophobicContact CB-CG 4.45Å; A101-M429 HydrophobicContact CB-SD 3.92Å; F306-M429 HydrophobicContact CD2-CB 4.43Å; F306-M429 HydrophobicContact CE2-CB 4.45Å; I331-M429 HydrophobicContact CB-CB 4.03Å; I331-M429 HydrophobicContact CB-CE 4.16Å; I331-M429 HydrophobicContact CB-SD 3.85Å; I331-M429 HydrophobicContact CD1-CE 3.8Å; I331-M429 HydrophobicContact CD1-SD 3.74Å; I331-M429 HydrophobicContact CG1-SD 4.27Å; I331-M429 HydrophobicContact CG2-CB 4.25Å; I331-M429 HydrophobicContact CG2-CE 3.98Å; I331-M429 HydrophobicContact CG2-SD 4.31Å; I331-M429 WeakPolarHBondContact O-CB 3.25Å; I331-M429 PolarHBondContact O-N 2.75Å; I331-M429 VanDerWaalsContact O-N 3.14Å; M429-F431 PolarHBondContact O-N 2.8Å; M429-Q432 HydrophobicContact CB-CG 4.09Å; M429-Q432 WeakPolarHBondContact O-CB 3.45Å; M429-Q432 VanDerWaalsContact O-CG 3.32Å; M429-Q432 WeakPolarHBondContact O-CG 3.36Å; M429-Q432 PolarHBondContact O-N 3.36Å; M429-Q432 VanDerWaalsContact O-N 3.16Å
430	T	92.6	Very high	97.4	Very high	4 Å²	4	16 Å²	16	3%	0.025	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	139.3	173.7	-170.8	0	0	0	0	112.6	A101 T104 V303 Q432	A101-T430 HydrophobicContact CB-CG2 3.76Å; T104-T430 HydrophobicContact CG2-CG2 4.1Å; V303-T430 WeakPolarHBondContact O-CA 3.08Å; V303-T430 WeakPolarHBondContact O-CB 3.29Å; T430-Q432 PolarHBondContact O-N 3.47Å; T430-Q432 PolarHBondContact O-NE2 3.32Å
431	F	95.8	Very high	97.4	Very high	4 Å²	4	15 Å²	15	2%	0.018	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	17	179.4	-43.9	-59.1	0	0	0	115.4	P100 T104 I144 K147 F184 L187 S301 D302 M429	P100-F431 HydrophobicContact CB-CD2 3.38Å; P100-F431 HydrophobicContact CB-CE2 3.77Å; P100-F431 HydrophobicContact CB-CG 4.18Å; T104-F431 VanDerWaalsContact OG1-CE2 3.3Å; T104-F431 WeakPolarHBondContact OG1-CE2 3.21Å; I144-F431 HydrophobicContact CG2-CE2 4.32Å; I144-F431 HydrophobicContact CG2-CZ 4.24Å; K147-F431 HydrophobicContact CD-CE1 3.86Å; K147-F431 HydrophobicContact CD-CZ 3.97Å; F184-F431 HydrophobicContact CD1-CD1 4.4Å; F184-F431 HydrophobicContact CD1-CE1 4.17Å; F184-F431 HydrophobicContact CD1-CZ 4.44Å; F184-F431 HydrophobicContact CE1-CB 4.46Å; F184-F431 AromaticContact CE1-CD1 3.6Å; F184-F431 HydrophobicContact CE1-CD1 3.6Å; F184-F431 HydrophobicContact CE1-CD2 4.03Å; F184-F431 AromaticContact CE1-CE1 3.7Å; F184-F431 HydrophobicContact CE1-CE1 3.7Å; F184-F431 HydrophobicContact CE1-CE2 4.08Å; F184-F431 AromaticContact CE1-CG 3.76Å; F184-F431 HydrophobicContact CE1-CG 3.76Å; F184-F431 AromaticContact CE1-CZ 3.93Å; F184-F431 HydrophobicContact CE1-CZ 3.93Å; F184-F431 HydrophobicContact CZ-CB 4.49Å; F184-F431 HydrophobicContact CZ-CD1 4.4Å; F184-F431 HydrophobicContact CZ-CG 4.22Å; L187-F431 HydrophobicContact CD1-CD1 3.82Å; L187-F431 HydrophobicContact CD1-CE1 3.87Å; S301-F431 WeakPolarHBondContact O-CA 3.45Å; S301-F431 PolarHBondContact O-N 3.49Å; D302-F431 HydrophobicContact CB-CD1 4.45Å; D302-F431 WeakPolarHBondContact OD1-CD1 3.35Å; M429-F431 PolarHBondContact O-N 2.8Å
432	Q	97.4	Very high	97.5	Very high	5 Å²	5	20.5 Å²	20.5	2%	0.023	11%	0.111	C	C	.	.			trans	-96.5	143	178.6	-54.7	-44.7	-54	0	0	113.1	R300 S301 T328 I331 M332 F428 M429 T430	R300-Q432 CarbonylContact C-O 3.36Å; R300-Q432 WeakPolarHBondContact CA-O 3.09Å; R300-Q432 WeakPolarHBondContact CG-O 3.45Å; S301-Q432 PolarHBondContact N-O 3.45Å; S301-Q432 PolarHBondContact O-N 2.82Å; T328-Q432 WeakPolarHBondContact OG1-CA 3.3Å; T328-Q432 PolarHBondContact OG1-OE1 3.31Å; I331-Q432 WeakPolarHBondContact O-CG 2.84Å; M332-Q432 HydrophobicContact CG-CB 3.53Å; M332-Q432 HydrophobicContact CG-CG 4.03Å; M332-Q432 HydrophobicContact SD-CB 3.84Å; F428-Q432 HydrophobicContact CB-CB 4.45Å; F428-Q432 HydrophobicContact CD1-CB 4.33Å; M429-Q432 HydrophobicContact CB-CG 4.09Å; M429-Q432 WeakPolarHBondContact O-CB 3.45Å; M429-Q432 VanDerWaalsContact O-CG 3.32Å; M429-Q432 WeakPolarHBondContact O-CG 3.36Å; M429-Q432 PolarHBondContact O-N 3.36Å; M429-Q432 VanDerWaalsContact O-N 3.16Å; T430-Q432 PolarHBondContact O-N 3.47Å; T430-Q432 PolarHBondContact O-NE2 3.32Å
433	Q	98.4	Very high	97.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	138.8	-174.8	-176.9	171.2	-15.4	0	0	111.8	Q247 E298 A299 R300 V327 T328	Q247-Q433 VanDerWaalsContact CG-OE1 3.27Å; E298-Q433 HydrophobicContact CG-CG 4.29Å; E298-Q433 PolarHBondContact OE1-NE2 3.16Å; A299-Q433 VanDerWaalsContact O-CA 3.25Å; A299-Q433 WeakPolarHBondContact O-CA 3.36Å; A299-Q433 WeakPolarHBondContact O-CG 3.42Å; R300-Q433 HydrophobicContact CB-CB 3.99Å; R300-Q433 HydrophobicContact CB-CG 4.02Å; R300-Q433 HydrophobicContact CG-CB 4.03Å; R300-Q433 HydrophobicContact CG-CG 4.47Å; V327-Q433 HydrophobicContact CB-CB 4.1Å; V327-Q433 HydrophobicContact CB-CG 3.91Å; V327-Q433 WeakPolarHBondContact CB-O 3.39Å; V327-Q433 HydrophobicContact CG1-CB 4.27Å; V327-Q433 HydrophobicContact CG1-CG 4.02Å; V327-Q433 HydrophobicContact CG2-CG 4.25Å; V327-Q433 PolarHBondContact N-O 3.27Å; V327-Q433 VanDerWaalsContact N-O 3.15Å; T328-Q433 HydrophobicContact CG2-CB 4.16Å; T328-Q433 PolarHBondContact N-O 2.88Å; T328-Q433 VanDerWaalsContact N-O 3.14Å; T328-Q433 PolarHBondContact OG1-N 3.12Å; T328-Q433 PolarHBondContact OG1-O 3.31Å
434	C	98.5	Very high	97.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	158.4	169.1	76.7	0	0	0	0	111.8	E298 A299 L325 M332 I334 F428 F436	E298-C434 WeakPolarHBondContact CA-O 3.26Å; A299-C434 PolarHBondContact N-O 3.45Å; A299-C434 PolarHBondContact O-N 3.44Å; A299-C434 VanDerWaalsContact O-N 3.1Å; L325-C434 VanDerWaalsContact O-CA 3.26Å; L325-C434 WeakPolarHBondContact O-CA 3.48Å; L325-C434 VanDerWaalsContact O-CB 3.24Å; L325-C434 WeakPolarHBondContact O-CB 3.48Å; M332-C434 HydrophobicContact CE-CB 4.44Å; M332-C434 HydrophobicContact SD-CB 4.09Å; I334-C434 HydrophobicContact CD1-CB 4.48Å; F428-C434 HydrophobicContact CE1-CB 4.33Å; F428-C434 WeakPolarHBondContact CE1-SG 3.37Å; F428-C434 VanDerWaalsContact CZ-SG 3.58Å; C434-F436 WeakPolarHBondContact SG-CE2 3.47Å; C434-F436 WeakPolarHBondContact SG-CZ 3.31Å
435	R	98.7	Very high	97.5	Very high	26 Å²	26	32.3 Å²	32.3	10%	0.098	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.1	176.9	174.8	176.1	-177.4	80	-0.3	110.9	R246 D295 L297 E298 A324 L325 E441	R246-R435 VanDerWaalsContact NH2-CD 3.3Å; D295-R435 IonicContact OD1-NH1 3.48Å; D295-R435 IonicContact OD2-CZ 3.82Å; D295-R435 VanDerWaalsContact OD2-CZ 3.3Å; D295-R435 IonicContact OD2-NH1 2.63Å; D295-R435 PolarHBondContact OD2-NH1 3.48Å; D295-R435 IonicContact OD2-NH2 2.9Å; D295-R435 PolarHBondContact OD2-NH2 3.35Å; L297-R435 CarbonylContact O-C 3.57Å; L297-R435 WeakPolarHBondContact O-CA 3.45Å; E298-R435 HydrophobicContact CB-CB 4.12Å; E298-R435 HydrophobicContact CB-CG 4.32Å; E298-R435 HydrophobicContact CG-CB 4.04Å; E298-R435 IonicContact OE2-NH1 2.94Å; A324-R435 CarbonylContact C-O 3.51Å; A324-R435 VanDerWaalsContact CA-O 3.28Å; A324-R435 WeakPolarHBondContact CA-O 3.37Å; L325-R435 HydrophobicContact CB-CB 4.29Å; L325-R435 PolarHBondContact N-O 2.94Å; L325-R435 PolarHBondContact O-N 3.32Å; R435-E441 IonicContact NH2-OE1 3.99Å; R435-E441 PolarHBondContact NH2-OE1 3.25Å
436	F	98.8	Very high	97.5	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131.5	178	-60.4	-97.9	0	0	0	110.6	L281 L297 Y322 E323 A324 I334 A426 F428 C434 F438	L281-F436 HydrophobicContact CD1-CD2 3.71Å; L281-F436 HydrophobicContact CD1-CE2 3.81Å; L281-F436 HydrophobicContact CD2-CD1 4.47Å; L281-F436 HydrophobicContact CD2-CD2 3.74Å; L281-F436 HydrophobicContact CD2-CE2 3.82Å; L281-F436 HydrophobicContact CD2-CG 4.09Å; L281-F436 HydrophobicContact CD2-CZ 4.24Å; L281-F436 HydrophobicContact CG-CD2 4.01Å; L281-F436 HydrophobicContact CG-CE2 4.33Å; L297-F436 PolarHBondContact O-N 3.32Å; Y322-F436 HydrophobicContact CD2-CD1 4.18Å; Y322-F436 AromaticContact CE2-CD1 3.87Å; Y322-F436 HydrophobicContact CE2-CD1 3.87Å; Y322-F436 HydrophobicContact CE2-CE1 4.15Å; E323-F436 CarbonylContact O-C 3.59Å; E323-F436 WeakPolarHBondContact O-CA 3.33Å; A324-F436 HydrophobicContact CB-CD1 4.29Å; A324-F436 HydrophobicContact CB-CE1 4.34Å; I334-F436 HydrophobicContact CG2-CE1 4.14Å; A426-F436 HydrophobicContact CB-CE1 4.15Å; A426-F436 HydrophobicContact CB-CZ 3.55Å; F428-F436 HydrophobicContact CZ-CE2 4.05Å; F428-F436 HydrophobicContact CZ-CZ 4.11Å; C434-F436 WeakPolarHBondContact SG-CE2 3.47Å; C434-F436 WeakPolarHBondContact SG-CZ 3.31Å; F436-F438 HydrophobicContact CB-CD2 4.33Å; F436-F438 HydrophobicContact CB-CE1 4.16Å; F436-F438 HydrophobicContact CB-CE2 3.76Å; F436-F438 HydrophobicContact CB-CZ 3.65Å; F436-F438 HydrophobicContact CD1-CE1 4.3Å; F436-F438 HydrophobicContact CD1-CZ 4Å; F436-F438 HydrophobicContact CG-CE2 4.42Å; F436-F438 AromaticContact CG-CZ 3.96Å; F436-F438 HydrophobicContact CG-CZ 3.96Å
437	N	98.7	Very high	97.4	Very high	18 Å²	18	36.7 Å²	36.7	10%	0.096	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	110.9	164	-177.8	9.4	0	0	0	108.2	Y322 E323 G439 K440 E441 F443	Y322-N437 WeakPolarHBondContact CB-O 3.42Å; E323-N437 HydrophobicContact CB-CB 4.37Å; E323-N437 PolarHBondContact N-O 3.32Å; E323-N437 VanDerWaalsContact N-O 3.1Å; E323-N437 PolarHBondContact O-N 2.97Å; N437-G439 VanDerWaalsContact C-N 3.26Å; N437-G439 PolarHBondContact O-N 3.14Å; N437-G439 WeakPolarHBondContact OD1-CA 3.36Å; N437-G439 PolarHBondContact OD1-N 3.44Å; N437-K440 PolarHBondContact OD1-N 3.09Å; N437-K440 VanDerWaalsContact OD1-N 3.12Å; N437-E441 PolarHBondContact ND2-O 3.24Å; N437-E441 PolarHBondContact OD1-N 3.37Å; N437-E441 PolarHBondContact OD1-O 2.94Å; N437-F443 HydrophobicContact CB-CE1 4.37Å; N437-F443 WeakPolarHBondContact ND2-CD1 3.17Å; N437-F443 WeakPolarHBondContact O-CE1 3.49Å
438	F	98.7	Very high	97.3	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	23%	0.229	C	C	.	.	S	Bend	trans	-90.5	16.2	177.5	-72.7	-47.6	0	0	0	112.9	A279 L281 L297 C311 Y322 A424 F436 F454 N455	A279-F438 HydrophobicContact CB-CB 4.07Å; A279-F438 HydrophobicContact CB-CD2 4.28Å; A279-F438 HydrophobicContact CB-CG 4.22Å; L281-F438 HydrophobicContact CD2-CE2 4.39Å; L281-F438 HydrophobicContact CD2-CZ 4.16Å; L297-F438 HydrophobicContact CD2-CD2 3.6Å; L297-F438 HydrophobicContact CD2-CE2 4.07Å; C311-F438 HydrophobicContact CB-CE1 4.07Å; C311-F438 HydrophobicContact CB-CE2 4.17Å; C311-F438 HydrophobicContact CB-CZ 3.63Å; Y322-F438 HydrophobicContact CD2-CE1 4.22Å; Y322-F438 HydrophobicContact CG-CD1 4.33Å; Y322-F438 HydrophobicContact CG-CE1 4.25Å; A424-F438 HydrophobicContact CB-CE1 3.65Å; A424-F438 HydrophobicContact CB-CZ 4.3Å; F436-F438 HydrophobicContact CB-CD2 4.33Å; F436-F438 HydrophobicContact CB-CE1 4.16Å; F436-F438 HydrophobicContact CB-CE2 3.76Å; F436-F438 HydrophobicContact CB-CZ 3.65Å; F436-F438 HydrophobicContact CD1-CE1 4.3Å; F436-F438 HydrophobicContact CD1-CZ 4Å; F436-F438 HydrophobicContact CG-CE2 4.42Å; F436-F438 AromaticContact CG-CZ 3.96Å; F436-F438 HydrophobicContact CG-CZ 3.96Å; F438-F454 HydrophobicContact CB-CB 3.86Å; F438-F454 HydrophobicContact CD1-CB 4.31Å; F438-F454 HydrophobicContact CD1-CD1 4.49Å; F438-F454 HydrophobicContact CD1-CD2 4.12Å; F438-F454 HydrophobicContact CD1-CG 4.09Å; F438-F454 HydrophobicContact CG-CB 4.33Å; F438-F454 PolarHBondContact O-N 3.31Å; F438-N455 WeakPolarHBondContact O-CB 3.46Å; F438-N455 PolarHBondContact O-N 2.64Å
439	G	98.3	Very high	97.4	Very high	21 Å²	21	48.1 Å²	48.1	22%	0.216	25%	0.249	C	C	.	.	S	Bend	trans	91.1	17.7	-170.7	0	0	0	0	0	113.4	N437	N437-G439 VanDerWaalsContact C-N 3.26Å; N437-G439 PolarHBondContact O-N 3.14Å; N437-G439 WeakPolarHBondContact OD1-CA 3.36Å; N437-G439 PolarHBondContact OD1-N 3.44Å
440	K	96.8	Very high	97.6	Very high	54 Å²	54	50.9 Å²	50.9	24%	0.235	27%	0.274	C	S	.	.	S	Bend	trans	-73	-37.7	171.1	-177.2	179.1	178.2	174	0	110.5	T277 L297 N437	T277-K440 PolarHBondContact OG1-NZ 2.99Å; L297-K440 HydrophobicContact CD1-CD 3.7Å; N437-K440 PolarHBondContact OD1-N 3.09Å; N437-K440 VanDerWaalsContact OD1-N 3.12Å
441	E	96.9	Very high	97.9	Very high	98 Å²	98	52.9 Å²	52.9	46%	0.458	28%	0.282	S	S	.	.	S	Bend	trans	-111.5	155.3	174.3	-66.8	166.9	-161.4	0	0	108.8	R435 N437 F443	R435-E441 IonicContact NH2-OE1 3.99Å; R435-E441 PolarHBondContact NH2-OE1 3.25Å; N437-E441 PolarHBondContact ND2-O 3.24Å; N437-E441 PolarHBondContact OD1-N 3.37Å; N437-E441 PolarHBondContact OD1-O 2.94Å; E441-F443 PolarHBondContact O-N 2.84Å
442	P	98.2	Very high	98	Very high	123 Å²	123	54.7 Å²	54.7	80%	0.799	29%	0.292	S	S	*	.			trans	-54.5	134.7	171.5	-24.9	34.7	0	0	0	111.5
443	F	98.7	Very high	98	Very high	31 Å²	31	55.5 Å²	55.5	14%	0.136	30%	0.297	C	S	.	.			trans	-65.5	140	174.6	-66.6	-50.4	0	0	0	110.9	Y321 E323 N437 E441 P446 F451 T453	Y321-F443 HydrophobicContact CD1-CD1 4.38Å; Y321-F443 AromaticContact CD1-CD2 3.81Å; Y321-F443 HydrophobicContact CD1-CD2 3.81Å; Y321-F443 HydrophobicContact CD1-CE1 4.38Å; Y321-F443 AromaticContact CD1-CE2 3.79Å; Y321-F443 HydrophobicContact CD1-CE2 3.79Å; Y321-F443 HydrophobicContact CD1-CG 4.12Å; Y321-F443 HydrophobicContact CD1-CZ 4.1Å; Y321-F443 HydrophobicContact CE1-CB 4.38Å; Y321-F443 HydrophobicContact CE1-CD1 4.25Å; Y321-F443 HydrophobicContact CE1-CD2 4.15Å; Y321-F443 HydrophobicContact CE1-CE2 4.5Å; Y321-F443 HydrophobicContact CE1-CG 4.02Å; E323-F443 HydrophobicContact CB-CD1 4.02Å; E323-F443 HydrophobicContact CB-CE1 4.36Å; E323-F443 HydrophobicContact CG-CB 4.46Å; E323-F443 HydrophobicContact CG-CD1 3.65Å; E323-F443 HydrophobicContact CG-CE1 4.27Å; E323-F443 HydrophobicContact CG-CG 4.32Å; E323-F443 VanDerWaalsContact OE2-CA 3.31Å; E323-F443 WeakPolarHBondContact OE2-CA 3.01Å; N437-F443 HydrophobicContact CB-CE1 4.37Å; N437-F443 WeakPolarHBondContact ND2-CD1 3.17Å; N437-F443 WeakPolarHBondContact O-CE1 3.49Å; E441-F443 PolarHBondContact O-N 2.84Å; F443-P446 HydrophobicContact CB-CB 4.3Å; F443-F451 AromaticContact CD2-CE2 3.88Å; F443-F451 HydrophobicContact CD2-CE2 3.88Å; F443-F451 HydrophobicContact CD2-CZ 4.15Å; F443-F451 AromaticContact CE2-CE2 3.72Å; F443-F451 HydrophobicContact CE2-CE2 3.72Å; F443-F451 HydrophobicContact CE2-CZ 4.44Å; F443-T453 HydrophobicContact CE2-CG2 3.61Å; F443-T453 HydrophobicContact CZ-CG2 4.12Å
444	R	98.6	Very high	98	Very high	148 Å²	148	55.5 Å²	55.5	56%	0.558	30%	0.297	S	S	*	.	S	Bend	trans	-75.8	-33.9	177.8	-60.4	-164.7	-162	165.6	-1.2	111.6	E323	E323-R444 PolarHBondContact OE1-N 3.48Å; E323-R444 PolarHBondContact OE2-N 3.46Å
445	Y	98.6	Very high	98	Very high	89 Å²	89	56.2 Å²	56.2	35%	0.349	30%	0.301	S	S	.	.	S	Bend	trans	-134.5	65	-176.3	-55.5	-77.7	0	0	0	110.8	Y321 E323 V386 N403	Y321-Y445 PolarHBondContact OH-O 3.31Å; E323-Y445 VanDerWaalsContact OE1-C 3.3Å; E323-Y445 WeakPolarHBondContact OE1-CA 3.46Å; E323-Y445 PolarHBondContact OE1-N 3Å; V386-Y445 HydrophobicContact CB-CD2 3.81Å; V386-Y445 HydrophobicContact CB-CE2 3.86Å; V386-Y445 HydrophobicContact CG1-CD2 4.15Å; V386-Y445 HydrophobicContact CG2-CD2 4.31Å; V386-Y445 HydrophobicContact CG2-CE2 4.02Å; N403-Y445 VanDerWaalsContact C-CD1 3.47Å; N403-Y445 HydrophobicContact CB-CE1 4.2Å; N403-Y445 HydrophobicContact CB-CE2 4.04Å; N403-Y445 WeakPolarHBondContact O-CD1 3.43Å
446	P	98.3	Very high	97.8	Very high	77 Å²	77	60.5 Å²	60.5	50%	0.5	32%	0.322	S	S	.	.			trans	-62.4	137.7	176	28.1	-34.5	0	0	0	110.7	F443 F451	F443-P446 HydrophobicContact CB-CB 4.3Å; P446-F451 HydrophobicContact CB-CE1 4.24Å; P446-F451 HydrophobicContact CB-CZ 3.95Å
447	P	97.4	Very high	97.7	Very high	16 Å²	16	65.6 Å²	65.6	10%	0.104	34%	0.342	C	S	.	.			trans	-72.9	156.1	177.4	30.4	-35.7	0	0	0	111.7	Y321 L390 V449 F451	Y321-P447 HydrophobicContact CD1-CG 4.38Å; Y321-P447 HydrophobicContact CD2-CG 3.95Å; Y321-P447 HydrophobicContact CE2-CG 4.14Å; Y321-P447 HydrophobicContact CG-CG 4.07Å; L390-P447 HydrophobicContact CD1-CB 4.26Å; L390-P447 HydrophobicContact CD1-CG 3.76Å; P447-V449 HydrophobicContact CB-CG2 4.17Å; P447-V449 HydrophobicContact CG-CG2 4.07Å; P447-V449 PolarHBondContact O-N 3.28Å; P447-F451 HydrophobicContact CG-CD1 3.74Å; P447-F451 HydrophobicContact CG-CE1 3.76Å
448	D	96	Very high	97.5	Very high	170 Å²	170	65 Å²	65	91%	0.909	34%	0.34	S	S	*	.	S	Bend	trans	-80.2	53.7	178.3	-168.3	26.5	0	0	0	112.5
449	V	96.7	Very high	97	Very high	70 Å²	70	72 Å²	72	42%	0.424	38%	0.376	S	S	.	.	S	Bend	trans	-144.6	159.8	174	-64.1	0	0	0	0	109.3	L390 P447 F451	L390-V449 HydrophobicContact CD1-CG2 3.65Å; P447-V449 HydrophobicContact CB-CG2 4.17Å; P447-V449 HydrophobicContact CG-CG2 4.07Å; P447-V449 PolarHBondContact O-N 3.28Å; V449-F451 HydrophobicContact CG2-CD1 4.37Å; V449-F451 WeakPolarHBondContact O-CD1 3.34Å
450	S	97.9	Very high	96.6	Very high	113 Å²	113	71.4 Å²	71.4	79%	0.79	37%	0.368	S	S	*	.			trans	-76.5	131	169.7	-175.2	0	0	0	0	109.9
451	F	98.3	Very high	96.1	Very high	46 Å²	46	72.5 Å²	72.5	20%	0.202	38%	0.379	C	S	.	.			trans	-145.7	159.1	-179.1	57.7	-96	0	0	0	111.4	V319 Y321 F443 P446 P447 V449 T453	V319-F451 HydrophobicContact CB-CB 4.38Å; V319-F451 HydrophobicContact CG1-CB 4.03Å; V319-F451 CarbonylContact O-C 3.57Å; V319-F451 WeakPolarHBondContact O-CA 3.4Å; Y321-F451 HydrophobicContact CD1-CE2 4.38Å; F443-F451 AromaticContact CD2-CE2 3.88Å; F443-F451 HydrophobicContact CD2-CE2 3.88Å; F443-F451 HydrophobicContact CD2-CZ 4.15Å; F443-F451 AromaticContact CE2-CE2 3.72Å; F443-F451 HydrophobicContact CE2-CE2 3.72Å; F443-F451 HydrophobicContact CE2-CZ 4.44Å; P446-F451 HydrophobicContact CB-CE1 4.24Å; P446-F451 HydrophobicContact CB-CZ 3.95Å; P447-F451 HydrophobicContact CG-CD1 3.74Å; P447-F451 HydrophobicContact CG-CE1 3.76Å; V449-F451 HydrophobicContact CG2-CD1 4.37Å; V449-F451 WeakPolarHBondContact O-CD1 3.34Å; F451-T453 HydrophobicContact CD2-CG2 4.31Å; F451-T453 HydrophobicContact CE2-CG2 4.13Å
452	N	98.5	Very high	95.3	Very high	42 Å²	42	74.7 Å²	74.7	23%	0.225	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-94.9	155.6	171.1	-63.7	-38.8	0	0	0	110.7	V319 W320 Y321 Y457	V319-N452 PolarHBondContact O-N 3.18Å; W320-N452 HydrophobicContact CD2-CB 3.74Å; W320-N452 HydrophobicContact CE3-CB 3.7Å; W320-N452 HydrophobicContact CG-CB 4.41Å; W320-N452 HydrophobicContact CH2-CB 3.93Å; W320-N452 HydrophobicContact CZ2-CB 3.96Å; W320-N452 HydrophobicContact CZ3-CB 3.8Å; Y321-N452 PolarHBondContact N-O 3.48Å; N452-Y457 HydrophobicContact CB-CD2 4.04Å; N452-Y457 HydrophobicContact CB-CE2 3.65Å; N452-Y457 WeakPolarHBondContact OD1-CE2 3.41Å; N452-Y457 PolarHBondContact OD1-OH 3.16Å
453	T	98.1	Very high	94.4	Very high	22 Å²	22	76.2 Å²	76.2	14%	0.135	39%	0.389	C	S	.	.			trans	-114	145.2	173.8	77.3	0	0	0	0	111.2	W320 F443 F451 N455 E456 Y457	W320-T453 WeakPolarHBondContact CZ3-O 3.33Å; F443-T453 HydrophobicContact CE2-CG2 3.61Å; F443-T453 HydrophobicContact CZ-CG2 4.12Å; F451-T453 HydrophobicContact CD2-CG2 4.31Å; F451-T453 HydrophobicContact CE2-CG2 4.13Å; T453-N455 VanDerWaalsContact C-N 3.26Å; T453-N455 PolarHBondContact O-N 2.93Å; T453-E456 PolarHBondContact O-N 3.46Å; T453-E456 WeakPolarHBondContact OG1-CB 3.42Å; T453-E456 PolarHBondContact OG1-N 3.33Å; T453-Y457 WeakPolarHBondContact O-CD2 3.45Å
454	F	98.2	Very high	93.5	Very high	0 Å²	0	79.6 Å²	79.6	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-61.6	-35.9	179.8	-66.5	-108.1	0	0	0	112	A279 F313 V315 W320 Y322 W336 A424 F438 E456 Y457 G458	A279-F454 HydrophobicContact CB-CB 3.64Å; F313-F454 HydrophobicContact CB-CD1 4.06Å; F313-F454 AromaticContact CD1-CD1 3.63Å; F313-F454 HydrophobicContact CD1-CD1 3.63Å; F313-F454 HydrophobicContact CD1-CE1 4.22Å; F313-F454 HydrophobicContact CD1-CG 4.41Å; F313-F454 HydrophobicContact CG-CD1 4.26Å; V315-F454 HydrophobicContact CG2-CE1 3.86Å; V315-F454 HydrophobicContact CG2-CZ 4Å; W320-F454 HydrophobicContact CE3-CD2 4.38Å; Y322-F454 AromaticContact CD1-CE2 3.81Å; Y322-F454 HydrophobicContact CD1-CE2 3.81Å; Y322-F454 HydrophobicContact CD1-CZ 4.09Å; Y322-F454 HydrophobicContact CG-CE2 4.24Å; W336-F454 AromaticContact CH2-CE2 3.9Å; W336-F454 HydrophobicContact CH2-CE2 3.9Å; W336-F454 AromaticContact CH2-CZ 3.52Å; W336-F454 HydrophobicContact CH2-CZ 3.52Å; W336-F454 HydrophobicContact CZ3-CE1 4.38Å; W336-F454 HydrophobicContact CZ3-CE2 4.36Å; W336-F454 AromaticContact CZ3-CZ 3.53Å; W336-F454 HydrophobicContact CZ3-CZ 3.53Å; A424-F454 HydrophobicContact CB-CE1 4.32Å; A424-F454 HydrophobicContact CB-CZ 4.06Å; F438-F454 HydrophobicContact CB-CB 3.86Å; F438-F454 HydrophobicContact CD1-CB 4.31Å; F438-F454 HydrophobicContact CD1-CD1 4.49Å; F438-F454 HydrophobicContact CD1-CD2 4.12Å; F438-F454 HydrophobicContact CD1-CG 4.09Å; F438-F454 HydrophobicContact CG-CB 4.33Å; F438-F454 PolarHBondContact O-N 3.31Å; F454-E456 VanDerWaalsContact C-N 3.3Å; F454-E456 PolarHBondContact O-N 2.89Å; F454-Y457 PolarHBondContact O-N 3.39Å; F454-G458 VanDerWaalsContact O-CA 3.27Å; F454-G458 WeakPolarHBondContact O-CA 3.37Å; F454-G458 PolarHBondContact O-N 2.95Å
455	N	96.9	Very high	92.7	Very high	14 Å²	14	75.3 Å²	75.3	8%	0.075	39%	0.388	C	S	.	.	H	α-helix	trans	-75	-17.2	-177.4	-159.6	66.1	0	0	0	113.8	S276 R278 F438 T453	S276-N455 PolarHBondContact O-ND2 3.27Å; S276-N455 PolarHBondContact O-OD1 2.75Å; R278-N455 WeakPolarHBondContact CB-O 3.27Å; R278-N455 VanDerWaalsContact CD-O 3.31Å; R278-N455 WeakPolarHBondContact CD-O 3.47Å; R278-N455 PolarHBondContact N-OD1 3.24Å; R278-N455 PolarHBondContact NH1-O 3.33Å; F438-N455 WeakPolarHBondContact O-CB 3.46Å; F438-N455 PolarHBondContact O-N 2.64Å; T453-N455 VanDerWaalsContact C-N 3.26Å; T453-N455 PolarHBondContact O-N 2.93Å
456	E	96.5	Very high	91.9	Very high	117 Å²	117	76.3 Å²	76.3	55%	0.547	39%	0.394	S	S	.	.	H	α-helix	trans	-78.7	-41	173.8	-178.4	177.4	-167.6	0	0	111.6	T453 F454	T453-E456 PolarHBondContact O-N 3.46Å; T453-E456 WeakPolarHBondContact OG1-CB 3.42Å; T453-E456 PolarHBondContact OG1-N 3.33Å; F454-E456 VanDerWaalsContact C-N 3.3Å; F454-E456 PolarHBondContact O-N 2.89Å
457	Y	96.4	Very high	91.1	Very high	108 Å²	108	73.3 Å²	73.3	42%	0.424	37%	0.374	S	S	.	.	H	α-helix	trans	-104.7	-14.4	-172.9	-66.3	-91	0	0	0	114.5	W320 N452 T453 F454	W320-Y457 HydrophobicContact CH2-CD1 4.47Å; W320-Y457 AromaticContact CH2-CD2 3.65Å; W320-Y457 HydrophobicContact CH2-CD2 3.65Å; W320-Y457 HydrophobicContact CH2-CE2 4.47Å; W320-Y457 AromaticContact CH2-CG 3.66Å; W320-Y457 HydrophobicContact CH2-CG 3.66Å; W320-Y457 AromaticContact CZ3-CD2 3.89Å; W320-Y457 HydrophobicContact CZ3-CD2 3.89Å; W320-Y457 HydrophobicContact CZ3-CG 4.24Å; N452-Y457 HydrophobicContact CB-CD2 4.04Å; N452-Y457 HydrophobicContact CB-CE2 3.65Å; N452-Y457 WeakPolarHBondContact OD1-CE2 3.41Å; N452-Y457 PolarHBondContact OD1-OH 3.16Å; T453-Y457 WeakPolarHBondContact O-CD2 3.45Å; F454-Y457 PolarHBondContact O-N 3.39Å
458	G	92.9	Very high	90.1	Very high	4 Å²	4	73.7 Å²	73.7	4%	0.041	38%	0.375	C	S	.	.			trans	-63	146.6	-174.9	0	0	0	0	0	113.6	R278 F454	R278-G458 WeakPolarHBondContact CB-O 3.27Å; R278-G458 VanDerWaalsContact CD-O 3.3Å; R278-G458 WeakPolarHBondContact CD-O 3.37Å; R278-G458 CarbonylContact O-C 3.45Å; R278-G458 VanDerWaalsContact O-CA 3.27Å; R278-G458 WeakPolarHBondContact O-CA 3.21Å; F454-G458 VanDerWaalsContact O-CA 3.27Å; F454-G458 WeakPolarHBondContact O-CA 3.37Å; F454-G458 PolarHBondContact O-N 2.95Å
459	I	89.6	Confident	88.9	Confident	150 Å²	150	65.9 Å²	65.9	77%	0.769	33%	0.333	S	S	*	.			trans	-128.2	114.5	175.3	-56.4	175.8	0	0	0	108.4
460	L	89	Confident	87.5	Confident	8 Å²	8	65.4 Å²	65.4	4%	0.042	33%	0.325	C	S	.	.			trans	-112.9	120.4	174.2	-65.3	172.4	0	0	0	110.4	T277 R278 L280 T312 K464 R465	T277-L460 HydrophobicContact CG2-CD1 4.38Å; R278-L460 WeakPolarHBondContact O-CG 3.41Å; L280-L460 HydrophobicContact CD2-CD1 3.67Å; L280-L460 HydrophobicContact CG-CD1 3.87Å; L280-L460 HydrophobicContact CG-CD2 4.47Å; T312-L460 HydrophobicContact CG2-CD2 3.84Å; T312-L460 WeakPolarHBondContact OG1-CD2 3.44Å; L460-K464 HydrophobicContact CD2-CB 4.06Å; L460-R465 HydrophobicContact CB-CG 3.4Å; L460-R465 VanDerWaalsContact CB-CG 3.4Å; L460-R465 HydrophobicContact CD1-CG 4Å; L460-R465 HydrophobicContact CG-CG 4.33Å; L460-R465 PolarHBondContact O-NE 3.48Å; L460-R465 PolarHBondContact O-NH2 3.01Å
461	T	86.5	Confident	85.4	Confident	77 Å²	77	65.6 Å²	65.6	47%	0.472	31%	0.309	S	S	.	.			trans	-59.2	154.1	163.3	57.7	0	0	0	0	110.3	E463 K464 R465	T461-E463 PolarHBondContact O-N 2.81Å; T461-E463 VanDerWaalsContact O-N 3.11Å; T461-K464 PolarHBondContact O-N 2.98Å; T461-K464 VanDerWaalsContact O-N 3.13Å; T461-K464 WeakPolarHBondContact OG1-CB 3.34Å; T461-K464 WeakPolarHBondContact OG1-CG 3.28Å; T461-K464 PolarHBondContact OG1-N 3.14Å; T461-R465 WeakPolarHBondContact O-CG 3.49Å; T461-R465 PolarHBondContact O-N 3.46Å; T461-R465 VanDerWaalsContact O-N 3.08Å
462	L	80.7	Confident	83.1	Confident	144 Å²	144	64.9 Å²	64.9	75%	0.754	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-36.9	175.5	-84.5	151	0	0	0	113.7
463	E	78	Confident	80.8	Confident	154 Å²	154	65.1 Å²	65.1	72%	0.72	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-51.4	177.8	-64.2	-173	155.8	0	0	112.1	T461 R465 K466	T461-E463 PolarHBondContact O-N 2.81Å; T461-E463 VanDerWaalsContact O-N 3.11Å; E463-R465 PolarHBondContact O-N 2.87Å; E463-R465 VanDerWaalsContact O-N 3.16Å; E463-K466 PolarHBondContact O-N 3.29Å; E463-K466 VanDerWaalsContact O-N 3.12Å
464	K	80.5	Confident	78.3	Confident	102 Å²	102	66 Å²	66	44%	0.443	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.2	176.7	-67.3	-176.4	177.4	-172.9	0	114.7	L460 T461	L460-K464 HydrophobicContact CD2-CB 4.06Å; T461-K464 PolarHBondContact O-N 2.98Å; T461-K464 VanDerWaalsContact O-N 3.13Å; T461-K464 WeakPolarHBondContact OG1-CB 3.34Å; T461-K464 WeakPolarHBondContact OG1-CG 3.28Å; T461-K464 PolarHBondContact OG1-N 3.14Å
465	R	82.7	Confident	75.6	Confident	59 Å²	59	67.1 Å²	67.1	22%	0.223	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-19.6	174.5	-72.3	-173.1	-169.8	-130.7	1.9	113.3	M274 S275 T277 L460 T461 E463	M274-R465 WeakPolarHBondContact CE-O 3.19Å; M274-R465 PolarHBondContact O-NH1 3.43Å; S275-R465 PolarHBondContact O-NH1 3.31Å; T277-R465 PolarHBondContact O-NH1 3.46Å; T277-R465 VanDerWaalsContact O-NH1 3.12Å; L460-R465 HydrophobicContact CB-CG 3.4Å; L460-R465 VanDerWaalsContact CB-CG 3.4Å; L460-R465 HydrophobicContact CD1-CG 4Å; L460-R465 HydrophobicContact CG-CG 4.33Å; L460-R465 PolarHBondContact O-NE 3.48Å; L460-R465 PolarHBondContact O-NH2 3.01Å; T461-R465 WeakPolarHBondContact O-CG 3.49Å; T461-R465 PolarHBondContact O-N 3.46Å; T461-R465 VanDerWaalsContact O-N 3.08Å; E463-R465 PolarHBondContact O-N 2.87Å; E463-R465 VanDerWaalsContact O-N 3.16Å
466	K	80.3	Confident	73	Confident	110 Å²	110	71.8 Å²	71.8	48%	0.478	34%	0.344	S	S	.	.			trans	-94.1	118.9	-175.8	-65.8	-178.6	-179.6	-174	0	109.4	E463 L468	E463-K466 PolarHBondContact O-N 3.29Å; E463-K466 VanDerWaalsContact O-N 3.12Å; K466-L468 HydrophobicContact CB-CD2 4.28Å; K466-L468 PolarHBondContact O-N 3.03Å
467	I	81.7	Confident	70.6	Confident	14 Å²	14	71.1 Å²	71.1	7%	0.072	34%	0.343	C	S	.	.			trans	-80.1	107.3	163.3	-56.5	-56.2	0	0	0	106.4	Y269 L280 Q283 I292	Y269-I467 WeakPolarHBondContact CB-O 3.23Å; L280-I467 HydrophobicContact CD1-CD1 4.13Å; Q283-I467 HydrophobicContact CB-CD1 4.4Å; Q283-I467 VanDerWaalsContact OE1-CA 3.29Å; I292-I467 HydrophobicContact CB-CG2 4.33Å; I292-I467 HydrophobicContact CG2-CD1 4.04Å; I292-I467 HydrophobicContact CG2-CG1 4.29Å; I292-I467 HydrophobicContact CG2-CG2 4.22Å
468	L	76.8	Confident	67.7	Low	23 Å²	23	69.9 Å²	69.9	12%	0.12	34%	0.343	C	S	.	.			trans	-81.6	145.4	-177.3	-63.9	167.6	0	0	0	109.3	Q283 K466 D473 K476	Q283-L468 PolarHBondContact NE2-O 3.48Å; K466-L468 HydrophobicContact CB-CD2 4.28Å; K466-L468 PolarHBondContact O-N 3.03Å; L468-D473 VanDerWaalsContact CB-OD1 3.3Å; L468-D473 WeakPolarHBondContact CB-OD1 3.47Å; L468-D473 VanDerWaalsContact CD1-OD1 3.3Å; L468-D473 WeakPolarHBondContact CD1-OD1 3.33Å; L468-K476 HydrophobicContact CD1-CD 3.96Å
469	T	71.7	Confident	64.9	Low	6 Å²	6	76.8 Å²	76.8	4%	0.037	37%	0.369	C	S	.	.			trans	-69.3	150.7	168.9	65.3	0	0	0	0	108.6	D257 N258 F267 Y269 Y471 D472 D473	D257-T469 HydrophobicContact CB-CG2 3.88Å; D257-T469 WeakPolarHBondContact O-CB 3.22Å; D257-T469 WeakPolarHBondContact O-CG2 3.27Å; N258-T469 WeakPolarHBondContact OD1-CA 3.43Å; F267-T469 HydrophobicContact CD1-CG2 3.99Å; F267-T469 HydrophobicContact CE1-CG2 4.4Å; F267-T469 HydrophobicContact CG-CG2 4.31Å; Y269-T469 HydrophobicContact CD1-CG2 4.1Å; Y269-T469 HydrophobicContact CE1-CG2 4.11Å; T469-Y471 PolarHBondContact O-N 3.06Å; T469-Y471 VanDerWaalsContact O-N 3.16Å; T469-D472 PolarHBondContact O-N 3.43Å; T469-D472 WeakPolarHBondContact OG1-CB 3.36Å; T469-D472 PolarHBondContact OG1-N 3.01Å; T469-D473 PolarHBondContact O-N 2.88Å
470	K	67.1	Low	62.1	Low	61 Å²	61	72.9 Å²	72.9	27%	0.265	37%	0.366	S	S	.	.	H	α-helix	trans	-57.2	-28.2	170.2	-66.7	-165.5	171.1	-169.7	0	111.8	W254 N258 E288 T474	W254-K470 HydrophobicContact CH2-CD 4.49Å; W254-K470 HydrophobicContact CZ2-CD 3.96Å; W254-K470 HydrophobicContact CZ2-CG 4.46Å; N258-K470 WeakPolarHBondContact OD1-CB 3.43Å; N258-K470 PolarHBondContact OD1-N 3.45Å; E288-K470 WeakPolarHBondContact O-CE 3.26Å; E288-K470 PolarHBondContact O-NZ 3.01Å; K470-T474 PolarHBondContact O-N 2.99Å; K470-T474 VanDerWaalsContact O-N 3.12Å; K470-T474 PolarHBondContact O-OG1 2.88Å
471	Y	54	Low	59.2	Low	116 Å²	116	78.6 Å²	78.6	46%	0.455	39%	0.387	S	S	.	.	H	α-helix	trans	-60.8	-50.5	171.4	-172.7	-89.8	0	0	0	111.4	W197 F267 T469 T474 A475	W197-Y471 HydrophobicContact CH2-CE2 4.38Å; F267-Y471 HydrophobicContact CZ-CD1 4.47Å; T469-Y471 PolarHBondContact O-N 3.06Å; T469-Y471 VanDerWaalsContact O-N 3.16Å; Y471-T474 PolarHBondContact O-N 3.39Å; Y471-A475 PolarHBondContact O-N 3.46Å; Y471-A475 VanDerWaalsContact O-N 3.12Å
472	D	49.2	Very low	56.6	Low	32 Å²	32	80.5 Å²	80.5	17%	0.171	40%	0.401	C	S	.	.	H	α-helix	trans	-69.6	-35.5	178.5	-76	-17	0	0	0	112.7	Y269 T469 A475 K476	Y269-D472 WeakPolarHBondContact CE1-OD2 3.4Å; Y269-D472 PolarHBondContact OH-OD2 3.4Å; T469-D472 PolarHBondContact O-N 3.43Å; T469-D472 WeakPolarHBondContact OG1-CB 3.36Å; T469-D472 PolarHBondContact OG1-N 3.01Å; D472-A475 WeakPolarHBondContact O-CB 3.33Å; D472-A475 PolarHBondContact O-N 3.41Å; D472-K476 WeakPolarHBondContact O-CB 3.43Å; D472-K476 PolarHBondContact O-N 3.47Å
473	D	50.8	Low	54.5	Low	46 Å²	46	78.4 Å²	78.4	25%	0.246	39%	0.386	C	S	.	.	H	α-helix	trans	-63.5	-41.4	175.9	-77.1	-22.9	0	0	0	111.8	Q283 L468 T469 K476 L477	Q283-D473 PolarHBondContact NE2-OD2 3.24Å; Q283-D473 VanDerWaalsContact NE2-OD2 3.12Å; L468-D473 VanDerWaalsContact CB-OD1 3.3Å; L468-D473 WeakPolarHBondContact CB-OD1 3.47Å; L468-D473 VanDerWaalsContact CD1-OD1 3.3Å; L468-D473 WeakPolarHBondContact CD1-OD1 3.33Å; T469-D473 PolarHBondContact O-N 2.88Å; D473-K476 PolarHBondContact O-N 2.9Å; D473-L477 WeakPolarHBondContact O-CG 3.42Å; D473-L477 PolarHBondContact O-N 2.98Å
474	T	45.5	Very low	52.3	Low	40 Å²	40	77.9 Å²	77.9	25%	0.245	39%	0.388	C	S	.	.	H	α-helix	trans	-64.6	-43.2	174.5	-54	0	0	0	0	110.9	K470 Y471 L477 L478	K470-T474 PolarHBondContact O-N 2.99Å; K470-T474 VanDerWaalsContact O-N 3.12Å; K470-T474 PolarHBondContact O-OG1 2.88Å; Y471-T474 PolarHBondContact O-N 3.39Å; T474-L477 PolarHBondContact O-N 3.44Å; T474-L478 HydrophobicContact CG2-CD1 4.47Å; T474-L478 WeakPolarHBondContact O-CG 3.17Å; T474-L478 PolarHBondContact O-N 3.34Å; T474-L478 VanDerWaalsContact O-N 3.11Å
475	A	41.9	Very low	50.3	Low	24 Å²	24	81.4 Å²	81.4	20%	0.198	40%	0.399	C	S	.	.	H	α-helix	trans	-60.7	-45.3	175	0	0	0	0	0	111.2	Y471 D472 L477 L478 Y479	Y471-A475 PolarHBondContact O-N 3.46Å; Y471-A475 VanDerWaalsContact O-N 3.12Å; D472-A475 WeakPolarHBondContact O-CB 3.33Å; D472-A475 PolarHBondContact O-N 3.41Å; A475-L477 PolarHBondContact O-N 2.87Å; A475-L478 WeakPolarHBondContact O-CB 3.35Å; A475-L478 PolarHBondContact O-N 3.2Å; A475-L478 VanDerWaalsContact O-N 3.09Å; A475-Y479 HydrophobicContact CB-CD2 4.17Å; A475-Y479 HydrophobicContact CB-CE2 4.03Å; A475-Y479 WeakPolarHBondContact O-CD2 3.03Å; A475-Y479 PolarHBondContact O-N 3.24Å
476	K	41.6	Very low	47.9	Very low	113 Å²	113	82.9 Å²	82.9	49%	0.491	42%	0.416	S	S	.	.	H	α-helix	trans	-58	-43.1	174.9	-84.8	-172	176.5	-172	0	112.8	L468 D472 D473 L478 Y479 G480	L468-K476 HydrophobicContact CD1-CD 3.96Å; D472-K476 WeakPolarHBondContact O-CB 3.43Å; D472-K476 PolarHBondContact O-N 3.47Å; D473-K476 PolarHBondContact O-N 2.9Å; K476-L478 VanDerWaalsContact C-N 3.26Å; K476-L478 PolarHBondContact O-N 2.95Å; K476-Y479 PolarHBondContact O-N 3.42Å; K476-G480 WeakPolarHBondContact O-CA 3.47Å; K476-G480 PolarHBondContact O-N 3.21Å
477	L	46.2	Very low	45.8	Very low	103 Å²	103	79 Å²	79	54%	0.539	40%	0.404	S	S	.	.	H	α-helix	trans	-61.4	-35.1	175.6	-76.5	166.2	0	0	0	112.2	D473 T474 A475	D473-L477 WeakPolarHBondContact O-CG 3.42Å; D473-L477 PolarHBondContact O-N 2.98Å; T474-L477 PolarHBondContact O-N 3.44Å; A475-L477 PolarHBondContact O-N 2.87Å
478	L	34.2	Very low	43.7	Very low	81 Å²	81	81.3 Å²	81.3	42%	0.424	41%	0.414	S	S	.	.	H	α-helix	trans	-74.6	-39.2	175.9	-68.4	168.8	0	0	0	112.8	T474 A475 K476 F488	T474-L478 HydrophobicContact CG2-CD1 4.47Å; T474-L478 WeakPolarHBondContact O-CG 3.17Å; T474-L478 PolarHBondContact O-N 3.34Å; T474-L478 VanDerWaalsContact O-N 3.11Å; A475-L478 WeakPolarHBondContact O-CB 3.35Å; A475-L478 PolarHBondContact O-N 3.2Å; A475-L478 VanDerWaalsContact O-N 3.09Å; K476-L478 VanDerWaalsContact C-N 3.26Å; K476-L478 PolarHBondContact O-N 2.95Å; L478-F488 HydrophobicContact CD2-CE1 4.41Å; L478-F488 HydrophobicContact CD2-CZ 4.12Å
479	Y	34.8	Very low	41.9	Very low	149 Å²	149	85.5 Å²	85.5	58%	0.584	44%	0.436	S	S	*	.	H	α-helix	trans	-83.9	-21.8	-179	-69.2	-66.4	0	0	0	114.2	A475 K476 W481 R485	A475-Y479 HydrophobicContact CB-CD2 4.17Å; A475-Y479 HydrophobicContact CB-CE2 4.03Å; A475-Y479 WeakPolarHBondContact O-CD2 3.03Å; A475-Y479 PolarHBondContact O-N 3.24Å; K476-Y479 PolarHBondContact O-N 3.42Å; Y479-W481 VanDerWaalsContact C-N 3.31Å; Y479-W481 PolarHBondContact O-N 3.05Å; Y479-R485 PolarHBondContact OH-NH2 2.98Å
480	G	31.3	Very low	40.2	Very low	69 Å²	69	91 Å²	91	71%	0.711	46%	0.464	S	S	*	.	S	Bend	trans	-77.1	-11.7	-178.8	0	0	0	0	0	114.5	K476	K476-G480 WeakPolarHBondContact O-CA 3.47Å; K476-G480 PolarHBondContact O-N 3.21Å
481	W	28.1	Very low	38.8	Very low	128 Å²	128	90.7 Å²	90.7	49%	0.485	47%	0.465	S	S	.	.	S	Bend	trans	-78	133.8	168.9	-115.6	-56	0	0	0	109.1	Y479 F483 F488	Y479-W481 VanDerWaalsContact C-N 3.31Å; Y479-W481 PolarHBondContact O-N 3.05Å; W481-F483 PolarHBondContact O-N 3.09Å; W481-F488 HydrophobicContact CE3-CE2 4.37Å
482	P	32.6	Very low	38.1	Very low	116 Å²	116	87.7 Å²	87.7	75%	0.753	45%	0.454	S	S	*	.	S	Bend	trans	-74	18.8	-171.7	27	-19	0	0	0	113.7
483	F	36.3	Very low	37.4	Very low	100 Å²	100	92.7 Å²	92.7	44%	0.439	48%	0.475	S	S	.	.	S	Bend	trans	-102	96.4	176.3	-67.2	-67.2	0	0	0	109.2	W481 A487 I491	W481-F483 PolarHBondContact O-N 3.09Å; F483-A487 HydrophobicContact CB-CB 3.81Å; F483-A487 HydrophobicContact CD1-CB 3.89Å; F483-A487 HydrophobicContact CG-CB 4.26Å; F483-I491 HydrophobicContact CB-CD1 4.37Å; F483-I491 HydrophobicContact CD1-CD1 3.4Å; F483-I491 HydrophobicContact CD2-CD1 3.91Å; F483-I491 HydrophobicContact CE1-CD1 3.51Å; F483-I491 HydrophobicContact CE2-CD1 4Å; F483-I491 HydrophobicContact CG-CD1 3.61Å; F483-I491 HydrophobicContact CZ-CD1 3.81Å
484	N	30.2	Very low	36.6	Very low	144 Å²	144	98.3 Å²	98.3	77%	0.77	49%	0.494	S	S	*	.			trans	-37.4	140.5	165.6	-116	-30.6	0	0	0	110.9	P486 A487	N484-P486 VanDerWaalsContact C-N 3.28Å; N484-P486 WeakPolarHBondContact O-CD 3.48Å; N484-A487 WeakPolarHBondContact O-CB 3.39Å; N484-A487 PolarHBondContact O-N 3.49Å
485	R	38.9	Very low	36.1	Very low	176 Å²	176	102.5 Å²	102.5	66%	0.664	51%	0.506	S	S	*	.	H	α-helix	trans	-34.7	-38.8	-169.7	-73.7	-178.1	173.4	178.3	1.1	117.7	Y479	Y479-R485 PolarHBondContact OH-NH2 2.98Å
486	P	32	Very low	35.9	Very low	89 Å²	89	107.4 Å²	107.4	58%	0.578	52%	0.523	S	S	*	.	H	α-helix	trans	-70.2	-32.4	177.1	-17.3	31.6	0	0	0	113.9	N484 L490	N484-P486 VanDerWaalsContact C-N 3.28Å; N484-P486 WeakPolarHBondContact O-CD 3.48Å; P486-L490 PolarHBondContact O-N 2.96Å; P486-L490 VanDerWaalsContact O-N 3.14Å
487	A	36.2	Very low	35.6	Very low	28 Å²	28	112 Å²	112	23%	0.231	54%	0.539	C	S	.	.	H	α-helix	trans	-76.1	-30.4	-177.4	0	0	0	0	0	112.3	F483 N484 L490 I491	F483-A487 HydrophobicContact CB-CB 3.81Å; F483-A487 HydrophobicContact CD1-CB 3.89Å; F483-A487 HydrophobicContact CG-CB 4.26Å; N484-A487 WeakPolarHBondContact O-CB 3.39Å; N484-A487 PolarHBondContact O-N 3.49Å; A487-L490 PolarHBondContact O-N 3.16Å; A487-I491 HydrophobicContact CB-CD1 4.26Å; A487-I491 WeakPolarHBondContact O-CB 3.24Å; A487-I491 WeakPolarHBondContact O-CD1 3.06Å; A487-I491 WeakPolarHBondContact O-CG1 3.38Å; A487-I491 PolarHBondContact O-N 3.36Å
488	F	38.8	Very low	34.9	Very low	63 Å²	63	110.1 Å²	110.1	28%	0.276	53%	0.531	S	S	.	.	H	α-helix	trans	-62.8	-44.5	174.7	-166.1	-93.6	0	0	0	111.3	L478 W481 F492	L478-F488 HydrophobicContact CD2-CE1 4.41Å; L478-F488 HydrophobicContact CD2-CZ 4.12Å; W481-F488 HydrophobicContact CE3-CE2 4.37Å; F488-F492 HydrophobicContact CD1-CD2 4.24Å; F488-F492 AromaticContact CE1-CD2 3.75Å; F488-F492 HydrophobicContact CE1-CD2 3.75Å; F488-F492 AromaticContact CE1-CE2 3.85Å; F488-F492 HydrophobicContact CE1-CE2 3.85Å; F488-F492 HydrophobicContact CE2-CD2 4.43Å; F488-F492 HydrophobicContact CE2-CE2 4.33Å; F488-F492 AromaticContact CZ-CD2 3.86Å; F488-F492 HydrophobicContact CZ-CD2 3.86Å; F488-F492 AromaticContact CZ-CE2 3.61Å; F488-F492 HydrophobicContact CZ-CE2 3.61Å; F488-F492 WeakPolarHBondContact O-CB 3.49Å; F488-F492 PolarHBondContact O-N 2.97Å
489	L	38.5	Very low	35	Very low	111 Å²	111	113.8 Å²	113.8	58%	0.581	55%	0.551	S	S	*	*	H	α-helix	trans	-63.1	-48.5	174.1	-83.7	159.5	0	0	0	111.4	I491 F492 F493	L489-I491 PolarHBondContact O-N 2.85Å; L489-F492 PolarHBondContact O-N 3.47Å; L489-F493 HydrophobicContact CD2-CE2 4.36Å; L489-F493 WeakPolarHBondContact O-CD2 3.37Å; L489-F493 PolarHBondContact O-N 2.93Å
490	L	35.8	Very low	34.9	Very low	121 Å²	121	110.5 Å²	110.5	63%	0.634	55%	0.546	S	S	*	.	H	α-helix	trans	-66.3	-38.9	-178.4	-82.7	159.1	0	0	0	113.4	P486 A487 F493 Y494	P486-L490 PolarHBondContact O-N 2.96Å; P486-L490 VanDerWaalsContact O-N 3.14Å; A487-L490 PolarHBondContact O-N 3.16Å; L490-F493 PolarHBondContact O-N 3Å; L490-Y494 VanDerWaalsContact O-CB 3.29Å; L490-Y494 WeakPolarHBondContact O-CB 3.35Å; L490-Y494 PolarHBondContact O-N 2.96Å
491	I	38	Very low	34.9	Very low	55 Å²	55	113.8 Å²	113.8	28%	0.282	54%	0.541	S	S	.	.	H	α-helix	trans	-71.8	-39.3	178	-68.1	169.5	0	0	0	110.1	F483 A487 L489 F493 Y494 Y495	F483-I491 HydrophobicContact CB-CD1 4.37Å; F483-I491 HydrophobicContact CD1-CD1 3.4Å; F483-I491 HydrophobicContact CD2-CD1 3.91Å; F483-I491 HydrophobicContact CE1-CD1 3.51Å; F483-I491 HydrophobicContact CE2-CD1 4Å; F483-I491 HydrophobicContact CG-CD1 3.61Å; F483-I491 HydrophobicContact CZ-CD1 3.81Å; A487-I491 HydrophobicContact CB-CD1 4.26Å; A487-I491 WeakPolarHBondContact O-CB 3.24Å; A487-I491 WeakPolarHBondContact O-CD1 3.06Å; A487-I491 WeakPolarHBondContact O-CG1 3.38Å; A487-I491 PolarHBondContact O-N 3.36Å; L489-I491 PolarHBondContact O-N 2.85Å; I491-F493 PolarHBondContact O-N 3.18Å; I491-Y494 PolarHBondContact O-N 3.05Å; I491-Y495 HydrophobicContact CG2-CD2 3.48Å; I491-Y495 VanDerWaalsContact CG2-CD2 3.48Å; I491-Y495 HydrophobicContact CG2-CE2 3.55Å; I491-Y495 WeakPolarHBondContact O-CD2 3.47Å; I491-Y495 PolarHBondContact O-N 3.4Å
492	F	38.8	Very low	35.1	Very low	54 Å²	54	112.2 Å²	112.2	24%	0.237	55%	0.549	C	S	.	.	H	α-helix	trans	-62.1	-41.6	172.5	-116.5	-95.1	0	0	0	112.3	F488 L489 Y494 F496	F488-F492 HydrophobicContact CD1-CD2 4.24Å; F488-F492 AromaticContact CE1-CD2 3.75Å; F488-F492 HydrophobicContact CE1-CD2 3.75Å; F488-F492 AromaticContact CE1-CE2 3.85Å; F488-F492 HydrophobicContact CE1-CE2 3.85Å; F488-F492 HydrophobicContact CE2-CD2 4.43Å; F488-F492 HydrophobicContact CE2-CE2 4.33Å; F488-F492 AromaticContact CZ-CD2 3.86Å; F488-F492 HydrophobicContact CZ-CD2 3.86Å; F488-F492 AromaticContact CZ-CE2 3.61Å; F488-F492 HydrophobicContact CZ-CE2 3.61Å; F488-F492 WeakPolarHBondContact O-CB 3.49Å; F488-F492 PolarHBondContact O-N 2.97Å; L489-F492 PolarHBondContact O-N 3.47Å; F492-Y494 VanDerWaalsContact C-N 3.33Å; F492-F496 HydrophobicContact CD1-CD2 4.3Å; F492-F496 HydrophobicContact CD1-CE2 4.31Å; F492-F496 HydrophobicContact CE1-CE2 4.29Å; F492-F496 PolarHBondContact O-N 3.33Å
493	F	34.8	Very low	35.1	Very low	136 Å²	136	112.5 Å²	112.5	60%	0.596	54%	0.543	S	S	*	.	H	α-helix	trans	-66	-35	174.3	-89	-73.3	0	0	0	112.4	L489 L490 I491 Y497	L489-F493 HydrophobicContact CD2-CE2 4.36Å; L489-F493 WeakPolarHBondContact O-CD2 3.37Å; L489-F493 PolarHBondContact O-N 2.93Å; L490-F493 PolarHBondContact O-N 3Å; I491-F493 PolarHBondContact O-N 3.18Å; F493-Y497 PolarHBondContact O-N 3.46Å
494	Y	33.5	Very low	34.9	Very low	165 Å²	165	111 Å²	111	65%	0.647	54%	0.543	S	S	*	.	H	α-helix	trans	-73.6	-41.5	-179.6	-162.8	-98.5	0	0	0	112.6	L490 I491 F492 F496 Y497 V498	L490-Y494 VanDerWaalsContact O-CB 3.29Å; L490-Y494 WeakPolarHBondContact O-CB 3.35Å; L490-Y494 PolarHBondContact O-N 2.96Å; I491-Y494 PolarHBondContact O-N 3.05Å; F492-Y494 VanDerWaalsContact C-N 3.33Å; Y494-F496 VanDerWaalsContact C-N 3.33Å; Y494-F496 PolarHBondContact O-N 2.9Å; Y494-Y497 PolarHBondContact O-N 2.93Å; Y494-V498 HydrophobicContact CE1-CG2 4.28Å; Y494-V498 PolarHBondContact O-N 3.1Å
495	Y	35.1	Very low	35.2	Very low	128 Å²	128	106.5 Å²	106.5	50%	0.502	52%	0.519	S	S	.	.	H	α-helix	trans	-72.4	-23.5	176.7	-84.7	-79.1	0	0	0	113.5	I491 Y497 V498 F501	I491-Y495 HydrophobicContact CG2-CD2 3.48Å; I491-Y495 VanDerWaalsContact CG2-CD2 3.48Å; I491-Y495 HydrophobicContact CG2-CE2 3.55Å; I491-Y495 WeakPolarHBondContact O-CD2 3.47Å; I491-Y495 PolarHBondContact O-N 3.4Å; Y495-Y497 VanDerWaalsContact C-N 3.31Å; Y495-V498 VanDerWaalsContact O-O 3.09Å; Y495-F501 HydrophobicContact CE1-CB 4.39Å
496	F	39	Very low	35	Very low	127 Å²	127	102.7 Å²	102.7	56%	0.557	52%	0.515	S	S	*	.	H	α-helix	trans	-76.4	-17.6	172.1	-105.7	-89.5	0	0	0	113.7	F492 Y494	F492-F496 HydrophobicContact CD1-CD2 4.3Å; F492-F496 HydrophobicContact CD1-CE2 4.31Å; F492-F496 HydrophobicContact CE1-CE2 4.29Å; F492-F496 PolarHBondContact O-N 3.33Å; Y494-F496 VanDerWaalsContact C-N 3.33Å; Y494-F496 PolarHBondContact O-N 2.9Å
497	Y	35.4	Very low	35.2	Very low	209 Å²	209	103.8 Å²	103.8	82%	0.82	51%	0.512	S	S	*	.	H	α-helix	trans	-96.8	-16.8	177.5	-109.6	-87	0	0	0	113.7	F493 Y494 Y495	F493-Y497 PolarHBondContact O-N 3.46Å; Y494-Y497 PolarHBondContact O-N 2.93Å; Y495-Y497 VanDerWaalsContact C-N 3.31Å
498	V	30.2	Very low	35.3	Very low	63 Å²	63	105 Å²	105	38%	0.382	51%	0.511	S	S	.	.	S	Bend	trans	-118.7	108	-179.3	-172.9	0	0	0	0	107.9	Y494 Y495 V500	Y494-V498 HydrophobicContact CE1-CG2 4.28Å; Y494-V498 PolarHBondContact O-N 3.1Å; Y495-V498 VanDerWaalsContact O-O 3.09Å; V498-V500 HydrophobicContact CG1-CG2 4.1Å; V498-V500 PolarHBondContact O-N 2.91Å
499	D	37.5	Very low	35.2	Very low	158 Å²	158	105.3 Å²	105.3	85%	0.845	51%	0.514	S	S	*	.			trans	-60.3	43.7	-178.1	-82.3	-39.3	0	0	0	114.7
500	V	31	Very low	35.1	Very low	80 Å²	80	101.2 Å²	101.2	49%	0.485	50%	0.495	S	S	.	.			trans	-135.6	117.3	-178.3	-162.7	0	0	0	0	108.9	V498	V498-V500 HydrophobicContact CG1-CG2 4.1Å; V498-V500 PolarHBondContact O-N 2.91Å
501	F	32.6	Very low	35.1	Very low	138 Å²	138	102.2 Å²	102.2	61%	0.605	49%	0.494	S	S	*	.			trans	87.3	64.1	177.1	-56.1	-77.3	0	0	0	118	Y495 I503 P504	Y495-F501 HydrophobicContact CE1-CB 4.39Å; F501-I503 VanDerWaalsContact C-N 3.26Å; F501-I503 PolarHBondContact O-N 3.39Å; F501-P504 WeakPolarHBondContact O-CD 3.38Å
502	C	32.6	Very low	35.1	Very low	95 Å²	95	101.4 Å²	101.4	64%	0.642	49%	0.492	S	S	*	.			trans	-74.9	-4.9	163.2	-72.5	0	0	0	0	114.8	V506	C502-V506 WeakPolarHBondContact O-CG2 3.33Å; C502-V506 PolarHBondContact O-N 3.36Å
503	I	32.4	Very low	35	Very low	123 Å²	123	98.8 Å²	98.8	63%	0.631	48%	0.48	S	S	*	.	H	α-helix	trans	-64.7	-46.3	-175.3	-60.6	173.1	0	0	0	112.8	F501 I505 V506 E507	F501-I503 VanDerWaalsContact C-N 3.26Å; F501-I503 PolarHBondContact O-N 3.39Å; I503-I505 VanDerWaalsContact C-N 3.3Å; I503-I505 PolarHBondContact O-N 3.03Å; I503-V506 PolarHBondContact O-N 3.19Å; I503-E507 PolarHBondContact O-N 3.2Å; I503-E507 VanDerWaalsContact O-N 3.12Å
504	P	31.3	Very low	35.1	Very low	67 Å²	67	93.8 Å²	93.8	44%	0.435	46%	0.462	S	S	.	.	H	α-helix	trans	-66.1	-32.1	-177.9	-19.2	32.3	0	0	0	113	F501 W508	F501-P504 WeakPolarHBondContact O-CD 3.38Å; P504-W508 VanDerWaalsContact O-CB 3.29Å; P504-W508 WeakPolarHBondContact O-CB 3.48Å; P504-W508 PolarHBondContact O-N 3.15Å
505	I	36.8	Very low	35.2	Very low	51 Å²	51	88.9 Å²	88.9	26%	0.262	45%	0.446	S	S	.	.	H	α-helix	trans	-72.4	-39.1	179.8	-66.4	172.7	0	0	0	110.5	I503 W508 I509	I503-I505 VanDerWaalsContact C-N 3.3Å; I503-I505 PolarHBondContact O-N 3.03Å; I505-W508 PolarHBondContact O-N 2.88Å; I505-I509 HydrophobicContact CG2-CD1 3.61Å; I505-I509 HydrophobicContact CG2-CG1 4.18Å; I505-I509 VanDerWaalsContact O-CB 3.31Å; I505-I509 WeakPolarHBondContact O-CB 3.46Å; I505-I509 WeakPolarHBondContact O-CG1 3.4Å; I505-I509 PolarHBondContact O-N 3.46Å
506	V	35.5	Very low	35.2	Very low	96 Å²	96	83.5 Å²	83.5	58%	0.582	43%	0.427	S	S	*	.	H	α-helix	trans	-65.8	-43.1	175	175.2	0	0	0	0	110.6	C502 I503 W508 I509 S510	C502-V506 WeakPolarHBondContact O-CG2 3.33Å; C502-V506 PolarHBondContact O-N 3.36Å; I503-V506 PolarHBondContact O-N 3.19Å; V506-W508 VanDerWaalsContact C-N 3.35Å; V506-W508 PolarHBondContact O-N 3.24Å; V506-I509 PolarHBondContact O-N 3.46Å; V506-S510 WeakPolarHBondContact O-CB 3.45Å; V506-S510 PolarHBondContact O-N 3.13Å
507	E	34.5	Very low	35.2	Very low	111 Å²	111	78.7 Å²	78.7	52%	0.519	41%	0.406	S	S	.	.	H	α-helix	trans	-60.3	-42.6	173.3	-96.8	-171.5	150.1	0	0	112.3	I503 S510 K511	I503-E507 PolarHBondContact O-N 3.2Å; I503-E507 VanDerWaalsContact O-N 3.12Å; E507-S510 WeakPolarHBondContact O-CB 3.44Å; E507-S510 PolarHBondContact O-N 3.28Å; E507-S510 PolarHBondContact O-OG 2.98Å; E507-K511 WeakPolarHBondContact O-CG 3.41Å; E507-K511 PolarHBondContact O-N 3.42Å
508	W	39.4	Very low	35.2	Very low	55 Å²	55	70.8 Å²	70.8	21%	0.208	38%	0.376	C	S	.	.	H	α-helix	trans	-66.4	-47	177	-176.1	82.4	0	0	0	112.4	V201 P504 I505 V506 S510 K511 V512	V201-W508 HydrophobicContact CG1-CH2 4.25Å; P504-W508 VanDerWaalsContact O-CB 3.29Å; P504-W508 WeakPolarHBondContact O-CB 3.48Å; P504-W508 PolarHBondContact O-N 3.15Å; I505-W508 PolarHBondContact O-N 2.88Å; V506-W508 VanDerWaalsContact C-N 3.35Å; V506-W508 PolarHBondContact O-N 3.24Å; W508-S510 PolarHBondContact O-N 2.99Å; W508-K511 PolarHBondContact O-N 2.92Å; W508-V512 HydrophobicContact CD2-CG2 4.3Å; W508-V512 HydrophobicContact CG-CG2 4.3Å; W508-V512 HydrophobicContact CZ2-CG1 4.26Å; W508-V512 HydrophobicContact CZ2-CG2 4.47Å; W508-V512 WeakPolarHBondContact O-CG2 3.24Å; W508-V512 PolarHBondContact O-N 3.5Å; W508-V512 VanDerWaalsContact O-N 3.15Å
509	I	35.8	Very low	35.4	Very low	68 Å²	68	72.2 Å²	72.2	35%	0.349	37%	0.374	S	S	.	.	H	α-helix	trans	-56.7	-33.9	173.1	-71.5	168.7	0	0	0	110.8	F198 I505 V506 K511	F198-I509 HydrophobicContact CZ-CG1 4.43Å; F198-I509 HydrophobicContact CZ-CG2 4.22Å; I505-I509 HydrophobicContact CG2-CD1 3.61Å; I505-I509 HydrophobicContact CG2-CG1 4.18Å; I505-I509 VanDerWaalsContact O-CB 3.31Å; I505-I509 WeakPolarHBondContact O-CB 3.46Å; I505-I509 WeakPolarHBondContact O-CG1 3.4Å; I505-I509 PolarHBondContact O-N 3.46Å; V506-I509 PolarHBondContact O-N 3.46Å; I509-K511 VanDerWaalsContact C-N 3.29Å; I509-K511 PolarHBondContact O-N 3.04Å
510	S	37.2	Very low	35.2	Very low	26 Å²	26	69 Å²	69	18%	0.182	35%	0.353	C	S	.	.	H	α-helix	trans	-75.7	-13.7	179.3	91.3	0	0	0	0	114.7	V506 E507 W508 S516 K520	V506-S510 WeakPolarHBondContact O-CB 3.45Å; V506-S510 PolarHBondContact O-N 3.13Å; E507-S510 WeakPolarHBondContact O-CB 3.44Å; E507-S510 PolarHBondContact O-N 3.28Å; E507-S510 PolarHBondContact O-OG 2.98Å; W508-S510 PolarHBondContact O-N 2.99Å; S510-S516 PolarHBondContact O-OG 2.92Å; S510-K520 PolarHBondContact O-NZ 3.36Å
511	K	35.8	Very low	35.6	Very low	142 Å²	142	67.1 Å²	67.1	62%	0.617	35%	0.346	S	S	*	.	H	α-helix	trans	-110.7	-13.8	-175.8	-75.9	179.6	-179.5	177.7	0	114.1	E507 W508 I509	E507-K511 WeakPolarHBondContact O-CG 3.41Å; E507-K511 PolarHBondContact O-N 3.42Å; W508-K511 PolarHBondContact O-N 2.92Å; I509-K511 VanDerWaalsContact C-N 3.29Å; I509-K511 PolarHBondContact O-N 3.04Å
512	V	38.1	Very low	35.9	Very low	37 Å²	37	65.2 Å²	65.2	22%	0.224	34%	0.337	C	S	.	.	H	α-helix	trans	-125.3	-5.5	-167.2	-170.8	0	0	0	0	113.3	W508	W508-V512 HydrophobicContact CD2-CG2 4.3Å; W508-V512 HydrophobicContact CG-CG2 4.3Å; W508-V512 HydrophobicContact CZ2-CG1 4.26Å; W508-V512 HydrophobicContact CZ2-CG2 4.47Å; W508-V512 WeakPolarHBondContact O-CG2 3.24Å; W508-V512 PolarHBondContact O-N 3.5Å; W508-V512 VanDerWaalsContact O-N 3.15Å
513	G	37.5	Very low	36.2	Very low	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.323	C	S	.	.			trans	-114	131.2	-170.9	0	0	0	0	0	114.8	I515 S516	G513-I515 PolarHBondContact O-N 3.08Å; G513-S516 PolarHBondContact O-N 3.36Å; G513-S516 PolarHBondContact O-OG 3.39Å
514	P	37	Very low	36.5	Very low	31 Å²	31	62.7 Å²	62.7	20%	0.201	32%	0.315	C	S	.	.	H	α-helix	trans	-60.1	-20	170.5	22.1	-30.6	0	0	0	112.9
515	I	34.6	Very low	36.9	Very low	62 Å²	62	64.7 Å²	64.7	32%	0.318	32%	0.321	S	S	.	.	H	α-helix	trans	-76.4	-23	176	-61.3	169.8	0	0	0	111.8	F198 G513 F517 R519	F198-I515 HydrophobicContact CD1-CD1 4.23Å; G513-I515 PolarHBondContact O-N 3.08Å; I515-F517 PolarHBondContact O-N 3.3Å; I515-R519 WeakPolarHBondContact O-CB 3.49Å; I515-R519 PolarHBondContact O-N 3.06Å
516	S	34.5	Very low	37.1	Very low	15 Å²	15	64.4 Å²	64.4	11%	0.105	32%	0.32	C	S	.	.	H	α-helix	trans	-67.4	-25.2	-178.6	71.2	0	0	0	0	112.7	S510 G513 K520	S510-S516 PolarHBondContact O-OG 2.92Å; G513-S516 PolarHBondContact O-N 3.36Å; G513-S516 PolarHBondContact O-OG 3.39Å; S516-K520 WeakPolarHBondContact O-CA 3.41Å; S516-K520 WeakPolarHBondContact O-CB 3.36Å; S516-K520 WeakPolarHBondContact O-CG 3.43Å; S516-K520 PolarHBondContact O-N 3.15Å
517	F	39.1	Very low	37.3	Very low	26 Å²	26	67.9 Å²	67.9	11%	0.114	33%	0.328	C	S	.	.	H	α-helix	trans	-68.6	-63.8	-176.4	176.8	-95	0	0	0	113.1	Y289 C305 L346 I515 R519 K520 A521	Y289-F517 HydrophobicContact CE2-CD2 4.11Å; C305-F517 HydrophobicContact CB-CE2 3.85Å; C305-F517 HydrophobicContact CB-CZ 3.84Å; C305-F517 WeakPolarHBondContact SG-CE2 3.19Å; C305-F517 WeakPolarHBondContact SG-CZ 3.42Å; L346-F517 HydrophobicContact CD2-CD2 3.5Å; L346-F517 VanDerWaalsContact CD2-CD2 3.5Å; L346-F517 HydrophobicContact CD2-CE2 3.27Å; L346-F517 HydrophobicContact CD2-CG 4.45Å; L346-F517 HydrophobicContact CD2-CZ 4.07Å; I515-F517 PolarHBondContact O-N 3.3Å; F517-R519 PolarHBondContact O-N 3.38Å; F517-K520 PolarHBondContact O-N 2.9Å; F517-A521 PolarHBondContact O-N 3.3Å
518	F	35.8	Very low	37.7	Very low	43 Å²	43	70.2 Å²	70.2	19%	0.189	34%	0.338	C	S	.	.	H	α-helix	trans	-66.3	-28.4	178.2	-65.4	-69.2	0	0	0	112.3	E151 K152 K522	E151-F518 HydrophobicContact CB-CE2 3.93Å; E151-F518 HydrophobicContact CB-CZ 3.77Å; E151-F518 WeakPolarHBondContact O-CD2 3.32Å; E151-F518 WeakPolarHBondContact O-CE2 3.48Å; K152-F518 HydrophobicContact CD-CD1 4.09Å; K152-F518 HydrophobicContact CD-CE1 3.84Å; F518-K522 WeakPolarHBondContact O-CB 3.49Å; F518-K522 PolarHBondContact O-N 3.06Å
519	R	34.2	Very low	37.7	Very low	92 Å²	92	73.9 Å²	73.9	35%	0.347	36%	0.358	S	S	.	.	H	α-helix	trans	-75.2	-40.5	177	-156	175	-175.7	175	-1.7	111.8	I515 F517 L523	I515-R519 WeakPolarHBondContact O-CB 3.49Å; I515-R519 PolarHBondContact O-N 3.06Å; F517-R519 PolarHBondContact O-N 3.38Å; R519-L523 HydrophobicContact CG-CD1 3.86Å; R519-L523 HydrophobicContact CG-CG 4.3Å; R519-L523 WeakPolarHBondContact O-CA 3.05Å; R519-L523 WeakPolarHBondContact O-CB 3.31Å; R519-L523 WeakPolarHBondContact O-CD1 3.45Å; R519-L523 WeakPolarHBondContact O-CG 3.33Å; R519-L523 PolarHBondContact O-N 2.97Å
520	K	34.5	Very low	38.1	Very low	90 Å²	90	78.7 Å²	78.7	39%	0.391	38%	0.384	S	S	.	.	H	α-helix	trans	-66.2	-51.6	177	-85.6	175.1	174.7	171.4	0	111.7	S510 S516 F517 K522 L523 Q524	S510-K520 PolarHBondContact O-NZ 3.36Å; S516-K520 WeakPolarHBondContact O-CA 3.41Å; S516-K520 WeakPolarHBondContact O-CB 3.36Å; S516-K520 WeakPolarHBondContact O-CG 3.43Å; S516-K520 PolarHBondContact O-N 3.15Å; F517-K520 PolarHBondContact O-N 2.9Å; K520-K522 VanDerWaalsContact C-N 3.34Å; K520-K522 PolarHBondContact O-N 2.92Å; K520-L523 CarbonylContact O-C 3.59Å; K520-L523 PolarHBondContact O-N 2.67Å; K520-Q524 VanDerWaalsContact O-CB 3.31Å; K520-Q524 WeakPolarHBondContact O-CB 3.31Å; K520-Q524 PolarHBondContact O-N 2.65Å
521	A	38.6	Very low	38.5	Very low	41 Å²	41	80.2 Å²	80.2	34%	0.339	39%	0.39	S	S	.	.	H	α-helix	trans	-59.1	-45.9	-178.2	0	0	0	0	0	111.4	F517 Q524 L525	F517-A521 PolarHBondContact O-N 3.3Å; A521-Q524 WeakPolarHBondContact O-CB 3.44Å; A521-Q524 PolarHBondContact O-N 2.87Å; A521-L525 WeakPolarHBondContact O-CG 3.49Å; A521-L525 PolarHBondContact O-N 3.35Å
522	K	38.9	Very low	38.6	Very low	98 Å²	98	78 Å²	78	43%	0.426	39%	0.39	S	S	.	.	H	α-helix	trans	-73	-35.4	176.3	-162.9	143.7	-174.7	163.1	0	112.9	F518 K520 Q524 L525 L526	F518-K522 WeakPolarHBondContact O-CB 3.49Å; F518-K522 PolarHBondContact O-N 3.06Å; K520-K522 VanDerWaalsContact C-N 3.34Å; K520-K522 PolarHBondContact O-N 2.92Å; K522-Q524 PolarHBondContact O-N 3.41Å; K522-L525 PolarHBondContact O-N 3.39Å; K522-L526 HydrophobicContact CG-CD1 4.22Å; K522-L526 HydrophobicContact CG-CG 4.31Å; K522-L526 WeakPolarHBondContact O-CB 3.34Å; K522-L526 WeakPolarHBondContact O-CD1 2.99Å; K522-L526 WeakPolarHBondContact O-CG 3.43Å; K522-L526 PolarHBondContact O-N 2.97Å
523	L	38.5	Very low	38.6	Very low	66 Å²	66	84.6 Å²	84.6	35%	0.346	42%	0.424	S	S	.	.	H	α-helix	trans	-62.8	-30.3	170.8	-78.4	170.2	0	0	0	112.1	R519 K520 L526 K527 V537	R519-L523 HydrophobicContact CG-CD1 3.86Å; R519-L523 HydrophobicContact CG-CG 4.3Å; R519-L523 WeakPolarHBondContact O-CA 3.05Å; R519-L523 WeakPolarHBondContact O-CB 3.31Å; R519-L523 WeakPolarHBondContact O-CD1 3.45Å; R519-L523 WeakPolarHBondContact O-CG 3.33Å; R519-L523 PolarHBondContact O-N 2.97Å; K520-L523 CarbonylContact O-C 3.59Å; K520-L523 PolarHBondContact O-N 2.67Å; L523-L526 HydrophobicContact CD2-CD1 4.48Å; L523-K527 WeakPolarHBondContact O-CG 3.18Å; L523-K527 PolarHBondContact O-N 3.49Å; L523-V537 HydrophobicContact CD2-CB 4.37Å; L523-V537 HydrophobicContact CD2-CG1 4.07Å
524	Q	40	Very low	38.8	Very low	100 Å²	100	87.1 Å²	87.1	47%	0.467	45%	0.451	S	S	.	.	H	α-helix	trans	-74.3	-44.7	177.4	-162.5	149	-29.3	0	0	111.1	K520 A521 K522 L526 K527	K520-Q524 VanDerWaalsContact O-CB 3.31Å; K520-Q524 WeakPolarHBondContact O-CB 3.31Å; K520-Q524 PolarHBondContact O-N 2.65Å; A521-Q524 WeakPolarHBondContact O-CB 3.44Å; A521-Q524 PolarHBondContact O-N 2.87Å; K522-Q524 PolarHBondContact O-N 3.41Å; Q524-L526 VanDerWaalsContact C-N 3.3Å; Q524-L526 PolarHBondContact O-N 3.25Å; Q524-K527 WeakPolarHBondContact O-CB 3.38Å; Q524-K527 PolarHBondContact O-N 3.31Å; Q524-K527 VanDerWaalsContact O-N 3.09Å
525	L	39.5	Very low	39	Very low	108 Å²	108	87.3 Å²	87.3	57%	0.565	45%	0.453	S	S	*	.	H	α-helix	trans	-58.5	-41.9	168	-70.1	166.9	0	0	0	111.9	A521 K522 K527 E528 E529	A521-L525 WeakPolarHBondContact O-CG 3.49Å; A521-L525 PolarHBondContact O-N 3.35Å; K522-L525 PolarHBondContact O-N 3.39Å; L525-K527 PolarHBondContact O-N 2.89Å; L525-E528 WeakPolarHBondContact O-CB 3.45Å; L525-E528 PolarHBondContact O-N 3.36Å; L525-E528 VanDerWaalsContact O-N 3.09Å; L525-E529 PolarHBondContact O-N 2.87Å
526	L	40	Very low	39.3	Very low	46 Å²	46	86.6 Å²	86.6	24%	0.241	45%	0.453	C	S	.	.	H	α-helix	trans	-67.8	-19.5	176.6	-75.8	174.1	0	0	0	113.1	K522 L523 Q524 E528 E529 I531 V537	K522-L526 HydrophobicContact CG-CD1 4.22Å; K522-L526 HydrophobicContact CG-CG 4.31Å; K522-L526 WeakPolarHBondContact O-CB 3.34Å; K522-L526 WeakPolarHBondContact O-CD1 2.99Å; K522-L526 WeakPolarHBondContact O-CG 3.43Å; K522-L526 PolarHBondContact O-N 2.97Å; L523-L526 HydrophobicContact CD2-CD1 4.48Å; Q524-L526 VanDerWaalsContact C-N 3.3Å; Q524-L526 PolarHBondContact O-N 3.25Å; L526-E528 VanDerWaalsContact C-N 3.32Å; L526-E529 VanDerWaalsContact O-O 3.04Å; L526-I531 HydrophobicContact CB-CD1 3.42Å; L526-I531 VanDerWaalsContact CB-CD1 3.42Å; L526-I531 HydrophobicContact CD1-CD1 4.31Å; L526-I531 HydrophobicContact CD2-CD1 3.41Å; L526-I531 VanDerWaalsContact CD2-CD1 3.41Å; L526-I531 HydrophobicContact CD2-CG1 4.38Å; L526-I531 HydrophobicContact CG-CD1 3.83Å; L526-I531 WeakPolarHBondContact O-CD1 3.43Å; L526-V537 HydrophobicContact CD1-CG1 4.43Å
527	K	40.6	Very low	39.7	Very low	169 Å²	169	87.9 Å²	87.9	74%	0.735	46%	0.46	S	S	*	.	H	α-helix	trans	-74.5	-25.3	171.1	-78.3	171.1	-178	179.2	0	112.2	L523 Q524 L525 E529	L523-K527 WeakPolarHBondContact O-CG 3.18Å; L523-K527 PolarHBondContact O-N 3.49Å; Q524-K527 WeakPolarHBondContact O-CB 3.38Å; Q524-K527 PolarHBondContact O-N 3.31Å; Q524-K527 VanDerWaalsContact O-N 3.09Å; L525-K527 PolarHBondContact O-N 2.89Å; K527-E529 VanDerWaalsContact C-N 3.33Å
528	E	42.6	Very low	39.7	Very low	159 Å²	159	90.2 Å²	90.2	74%	0.743	47%	0.473	S	S	*	.	H	α-helix	trans	-80.5	-20.6	176	-61.2	176.9	177	0	0	111.4	L525 L526	L525-E528 WeakPolarHBondContact O-CB 3.45Å; L525-E528 PolarHBondContact O-N 3.36Å; L525-E528 VanDerWaalsContact O-N 3.09Å; L526-E528 VanDerWaalsContact C-N 3.32Å
529	E	39.9	Very low	39.9	Very low	132 Å²	132	89.3 Å²	89.3	62%	0.617	47%	0.471	S	S	*	.	S	Bend	trans	-91.2	142.4	172.9	-66.4	-167.5	164	0	0	112.6	L525 L526 K527 I531	L525-E529 PolarHBondContact O-N 2.87Å; L526-E529 VanDerWaalsContact O-O 3.04Å; K527-E529 VanDerWaalsContact C-N 3.33Å; E529-I531 HydrophobicContact CB-CG1 4.31Å; E529-I531 PolarHBondContact O-N 3.08Å
530	N	44	Very low	40.3	Very low	169 Å²	169	91.2 Å²	91.2	90%	0.904	48%	0.479	S	S	*	.			trans	-80.1	84	178.5	-151.9	-7.9	0	0	0	110
531	I	44.1	Very low	40.6	Very low	59 Å²	59	89.8 Å²	89.8	30%	0.303	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-86	123.2	-177.1	-59.8	172.2	0	0	0	109.8	L526 E529 S535	L526-I531 HydrophobicContact CB-CD1 3.42Å; L526-I531 VanDerWaalsContact CB-CD1 3.42Å; L526-I531 HydrophobicContact CD1-CD1 4.31Å; L526-I531 HydrophobicContact CD2-CD1 3.41Å; L526-I531 VanDerWaalsContact CD2-CD1 3.41Å; L526-I531 HydrophobicContact CD2-CG1 4.38Å; L526-I531 HydrophobicContact CG-CD1 3.83Å; L526-I531 WeakPolarHBondContact O-CD1 3.43Å; E529-I531 HydrophobicContact CB-CG1 4.31Å; E529-I531 PolarHBondContact O-N 3.08Å; I531-S535 VanDerWaalsContact CG2-CB 3.49Å; I531-S535 WeakPolarHBondContact CG2-OG 3.41Å
532	P	38.8	Very low	40.4	Very low	96 Å²	96	94.3 Å²	94.3	62%	0.623	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-60.8	139.2	175	-21.6	32.6	0	0	0	112	G534 S535	P532-G534 PolarHBondContact O-N 2.99Å; P532-S535 PolarHBondContact O-N 3.19Å; P532-S535 PolarHBondContact O-OG 2.99Å
533	D	38.9	Very low	40.1	Very low	174 Å²	174	95.6 Å²	95.6	93%	0.93	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	130.1	174.8	-74.1	-33.5	0	0	0	111.5
534	G	40	Very low	39.8	Very low	54 Å²	54	96.2 Å²	96.2	56%	0.557	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	100	2.8	178.1	0	0	0	0	0	116.1	P532	P532-G534 PolarHBondContact O-N 2.99Å
535	S	42.3	Very low	39.1	Very low	35 Å²	35	97 Å²	97	25%	0.245	54%	0.542	C	S	.	.			trans	-67.6	137.1	176.8	-62.1	0	0	0	0	113.1	I531 P532 V537	I531-S535 VanDerWaalsContact CG2-CB 3.49Å; I531-S535 WeakPolarHBondContact CG2-OG 3.41Å; P532-S535 PolarHBondContact O-N 3.19Å; P532-S535 PolarHBondContact O-OG 2.99Å; S535-V537 PolarHBondContact O-N 2.61Å
536	C	41.1	Very low	38.6	Very low	47 Å²	47	103.9 Å²	103.9	32%	0.318	56%	0.561	S	S	.	*			trans	-84.6	108.9	180	-178.1	0	0	0	0	111.5	I538	C536-I538 VanDerWaalsContact C-N 3.27Å; C536-I538 PolarHBondContact O-N 2.75Å
537	V	42.6	Very low	38	Very low	42 Å²	42	108.6 Å²	108.6	26%	0.255	59%	0.585	S	S	.	*	S	Bend	trans	-81.8	5.3	178.1	-64.1	0	0	0	0	114.6	L523 L526 S535 I559	L523-V537 HydrophobicContact CD2-CB 4.37Å; L523-V537 HydrophobicContact CD2-CG1 4.07Å; L526-V537 HydrophobicContact CD1-CG1 4.43Å; S535-V537 PolarHBondContact O-N 2.61Å; V537-I559 HydrophobicContact CG2-CD1 3.6Å
538	I	38.5	Very low	37.7	Very low	75 Å²	75	106 Å²	106	39%	0.385	58%	0.578	S	S	.	*	S	Bend	trans	-102.5	-43.1	-170.2	-62.3	178.2	0	0	0	113.3	C536 Y540	C536-I538 VanDerWaalsContact C-N 3.27Å; C536-I538 PolarHBondContact O-N 2.75Å; I538-Y540 VanDerWaalsContact O-CD2 3.27Å; I538-Y540 WeakPolarHBondContact O-CD2 3.27Å; I538-Y540 WeakPolarHBondContact O-CE2 3.35Å
539	C	39.4	Very low	37.2	Very low	24 Å²	24	105.5 Å²	105.5	16%	0.162	58%	0.576	C	S	.	*			trans	-102.3	-0.9	-157.1	63	0	0	0	0	117.6	S541	C539-S541 WeakPolarHBondContact O-CA 3.38Å; C539-S541 WeakPolarHBondContact O-CB 3.4Å; C539-S541 PolarHBondContact O-N 3.26Å
540	Y	44.2	Very low	37.1	Very low	131 Å²	131	103.9 Å²	103.9	51%	0.514	58%	0.577	S	S	.	*			trans	47.3	9.4	169.6	-58.5	-82.6	0	0	0	117.5	I538	I538-Y540 VanDerWaalsContact O-CD2 3.27Å; I538-Y540 WeakPolarHBondContact O-CD2 3.27Å; I538-Y540 WeakPolarHBondContact O-CE2 3.35Å
541	S	39.2	Very low	36.9	Very low	61 Å²	61	97.8 Å²	97.8	43%	0.427	55%	0.547	S	S	.	.			trans	-100.8	8.8	-154.9	64.1	0	0	0	0	115.8	C539	C539-S541 WeakPolarHBondContact O-CA 3.38Å; C539-S541 WeakPolarHBondContact O-CB 3.4Å; C539-S541 PolarHBondContact O-N 3.26Å
542	Q	34.8	Very low	36.6	Very low	136 Å²	136	103.8 Å²	103.8	64%	0.636	57%	0.571	S	S	*	*	S	Bend	trans	-146.9	119.7	171.8	-68	-73.1	-66.9	0	0	109	G544	Q542-G544 PolarHBondContact O-N 3.33Å; Q542-G544 VanDerWaalsContact O-N 3.16Å
543	P	33.3	Very low	36.5	Very low	124 Å²	124	102.8 Å²	102.8	81%	0.805	56%	0.558	S	S	*	*	S	Bend	trans	-63.6	116.7	169.7	19.6	-21.1	0	0	0	109	L545	P543-L545 PolarHBondContact O-N 2.88Å
544	G	31.1	Very low	36.1	Very low	79 Å²	79	98.3 Å²	98.3	81%	0.814	55%	0.553	S	S	*	*	S	Bend	trans	42.9	45.9	159	0	0	0	0	0	118.6	Q542	Q542-G544 PolarHBondContact O-N 3.33Å; Q542-G544 VanDerWaalsContact O-N 3.16Å
545	L	26.7	Very low	35.6	Very low	117 Å²	117	103.3 Å²	103.3	61%	0.613	56%	0.556	S	S	*	*			trans	-85	120.9	163.9	-80.6	167.5	0	0	0	109.6	P543 I547	P543-L545 PolarHBondContact O-N 2.88Å; L545-I547 PolarHBondContact O-N 2.95Å
546	R	29.6	Very low	35	Very low	252 Å²	252	106.7 Å²	106.7	95%	0.951	58%	0.575	S	S	*	*	S	Bend	trans	-69.3	7.3	-179.8	-65.3	-174.2	-177.3	-166.4	-0.6	114.7
547	I	27.3	Very low	34.6	Very low	145 Å²	145	105.3 Å²	105.3	74%	0.744	57%	0.566	S	S	*	*	S	Bend	trans	-131.3	108.9	179.9	-57.1	174.9	0	0	0	107.1	L545 E549	L545-I547 PolarHBondContact O-N 2.95Å; I547-E549 PolarHBondContact O-N 3.02Å
548	L	33.5	Very low	34.2	Very low	114 Å²	114	110.9 Å²	110.9	60%	0.597	59%	0.586	S	S	*	*			trans	-78.9	104.7	-179.6	-67.8	168.6	0	0	0	109.9
549	E	31.9	Very low	34	Very low	150 Å²	150	109.9 Å²	109.9	70%	0.701	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-77	148.9	156.8	-72.6	-167.7	176.6	0	0	109.9	I547 C551	I547-E549 PolarHBondContact O-N 3.02Å; E549-C551 PolarHBondContact O-N 3.17Å
550	P	37	Very low	33.5	Very low	97 Å²	97	113.6 Å²	113.6	63%	0.63	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-54	129.2	174.7	-20.1	29.9	0	0	0	110.3	K552	P550-K552 PolarHBondContact O-N 3.03Å
551	C	40.1	Very low	32.7	Very low	41 Å²	41	117.4 Å²	117.4	28%	0.277	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-59.1	117.7	176.1	62.9	0	0	0	0	108.5	E549 H553	E549-C551 PolarHBondContact O-N 3.17Å; C551-H553 PolarHBondContact O-N 3.27Å
552	K	38.9	Very low	32.2	Very low	186 Å²	186	117.9 Å²	117.9	81%	0.809	62%	0.618	S	S	*	*			trans	-72.1	23.5	-176.6	-61.5	-174.4	-177.2	175.4	0	113.7	P550 G554	P550-K552 PolarHBondContact O-N 3.03Å; K552-G554 PolarHBondContact O-N 3.33Å
553	H	36.8	Very low	31.8	Very low	75 Å²	75	114.5 Å²	114.5	35%	0.347	61%	0.608	S	S	.	*			trans	-74.9	120.2	168.1	-57.9	121	0	0	0	107.1	C551 Y555	C551-H553 PolarHBondContact O-N 3.27Å; H553-Y555 HydrophobicContact CB-CD2 4.37Å; H553-Y555 PolarHBondContact O-N 2.68Å
554	G	29	Very low	31.5	Very low	80 Å²	80	118.6 Å²	118.6	83%	0.825	61%	0.607	S	S	*	*	S	Bend	trans	-66.6	30.5	175.3	0	0	0	0	0	114.7	K552	K552-G554 PolarHBondContact O-N 3.33Å
555	Y	30	Very low	31.5	Very low	159 Å²	159	123.2 Å²	123.2	62%	0.624	61%	0.605	S	S	*	*	S	Bend	trans	-125.5	147.2	-176.8	-60.2	-79.1	0	0	0	110.4	R211 H553 C557	R211-Y555 PolarHBondContact NH2-OH 3.23Å; H553-Y555 HydrophobicContact CB-CD2 4.37Å; H553-Y555 PolarHBondContact O-N 2.68Å; Y555-C557 PolarHBondContact O-N 3.46Å
556	V	29.8	Very low	31.5	Very low	106 Å²	106	125.3 Å²	125.3	64%	0.642	62%	0.616	S	S	*	*			trans	-65.8	105.1	-178.1	-177.5	0	0	0	0	109.8	F558	V556-F558 PolarHBondContact O-N 3.34Å; V556-F558 VanDerWaalsContact O-N 3.13Å
557	C	33.4	Very low	31.5	Very low	18 Å²	18	126.7 Å²	126.7	12%	0.122	62%	0.623	C	S	.	*			trans	-65.3	108.4	163.3	-179.2	0	0	0	0	107.7	Y555 I559 Q560	Y555-C557 PolarHBondContact O-N 3.46Å; C557-I559 PolarHBondContact O-N 3.27Å; C557-Q560 HydrophobicContact CB-CG 4.35Å; C557-Q560 PolarHBondContact O-N 3.31Å
558	F	34.5	Very low	31.7	Very low	158 Å²	158	125.8 Å²	125.8	69%	0.693	62%	0.617	S	S	*	*	H	α-helix	trans	-56.1	-22.2	-175.6	-110.1	-91.8	0	0	0	113.6	V556	V556-F558 PolarHBondContact O-N 3.34Å; V556-F558 VanDerWaalsContact O-N 3.13Å
559	I	34.3	Very low	31.6	Very low	54 Å²	54	126.4 Å²	126.4	28%	0.277	62%	0.618	S	S	.	*	H	α-helix	trans	-72.5	-31.1	176.2	-60	177.1	0	0	0	111.6	V537 C557 R561 A562 C563	V537-I559 HydrophobicContact CG2-CD1 3.6Å; C557-I559 PolarHBondContact O-N 3.27Å; I559-R561 VanDerWaalsContact C-N 3.33Å; I559-R561 PolarHBondContact O-N 3.44Å; I559-A562 PolarHBondContact O-N 3.02Å; I559-C563 WeakPolarHBondContact O-CB 3.46Å; I559-C563 PolarHBondContact O-N 3.28Å; I559-C563 PolarHBondContact O-SG 3.27Å; I559-C563 VanDerWaalsContact O-SG 3.37Å
560	Q	28.8	Very low	31.6	Very low	103 Å²	103	125.1 Å²	125.1	48%	0.481	61%	0.614	S	S	.	*	H	α-helix	trans	-69.7	-26.2	179.9	-78.8	-167.6	-15	0	0	113.8	C557 R564	C557-Q560 HydrophobicContact CB-CG 4.35Å; C557-Q560 PolarHBondContact O-N 3.31Å; Q560-R564 PolarHBondContact O-N 2.82Å
561	R	27.5	Very low	31.3	Very low	211 Å²	211	126.8 Å²	126.8	80%	0.796	61%	0.613	S	S	*	*	H	α-helix	trans	-75.2	-35.2	174.9	-107.6	-176.3	179.3	-179	-0.1	112.2	I559	I559-R561 VanDerWaalsContact C-N 3.33Å; I559-R561 PolarHBondContact O-N 3.44Å
562	A	28.6	Very low	30.7	Very low	71 Å²	71	132.1 Å²	132.1	59%	0.587	63%	0.634	S	S	*	*	H	α-helix	trans	-71.7	-37.5	174.3	0	0	0	0	0	112.3	I559 R564	I559-A562 PolarHBondContact O-N 3.02Å; A562-R564 PolarHBondContact O-N 2.87Å
563	C	26.5	Very low	30.2	Very low	64 Å²	64	128.5 Å²	128.5	43%	0.432	62%	0.622	S	S	.	*	H	α-helix	trans	-75.8	-17.8	-177	-70.7	0	0	0	0	115.1	I559 K565	I559-C563 WeakPolarHBondContact O-CB 3.46Å; I559-C563 PolarHBondContact O-N 3.28Å; I559-C563 PolarHBondContact O-SG 3.27Å; I559-C563 VanDerWaalsContact O-SG 3.37Å; C563-K565 VanDerWaalsContact C-N 3.28Å; C563-K565 PolarHBondContact O-N 3.37Å
564	R	27	Very low	29.7	Very low	210 Å²	210	132.4 Å²	132.4	79%	0.792	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	1.5	-177.8	-85.4	-167.6	-172.3	-152.3	3.5	115.8	Q560 A562	Q560-R564 PolarHBondContact O-N 2.82Å; A562-R564 PolarHBondContact O-N 2.87Å
565	K	29.9	Very low	29.8	Very low	177 Å²	177	136.4 Å²	136.4	77%	0.77	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.7	11.2	176.3	-81.1	-170.4	176.7	-179.8	0	115	C563	C563-K565 VanDerWaalsContact C-N 3.28Å; C563-K565 PolarHBondContact O-N 3.37Å
566	L	27.9	Very low	29.8	Very low	161 Å²	161	134.5 Å²	134.5	84%	0.843	63%	0.628	S	S	*	*			trans	-101.4	13.3	171.4	-80.2	168.1	0	0	0	113.8
567	Y	29.1	Very low	29.8	Very low	281 Å²	281	137.1 Å²	137.1	100%	1.102	63%	0.627	S	S	*	*			trans	-111.7	0	155	-75.3	-85	0	0	0	107.8

Retrieved 567 of 567 residues in 159.7 ms (Link to these results)

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