A0A077ZEK7_TRITR Loading...

Polycomb group RING finger protein 3

AlphaFold DB , UniProt , Accession A0A077ZEK7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 261 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	31.5	Very low	28	Very low	239 Å²	239	152.4 Å²	152.4	100%	1.177	81%	0.807	S	S	*	*				0	104.2	0	-82.3	170.4	157.2	0	0	109.7
2	R	22.7	Very low	28.4	Very low	247 Å²	247	155.1 Å²	155.1	93%	0.932	82%	0.816	S	S	*	*			trans	-84.5	102.8	174.1	-85.1	175.3	168.7	154.3	-4.8	108.2	K4	R2-K4 PolarHBondContact O-N 3.4Å
3	I	31.4	Very low	28.4	Very low	164 Å²	164	161.8 Å²	161.8	84%	0.841	82%	0.824	S	S	*	*			trans	-84.4	110.4	171.7	-58.8	179	0	0	0	107.4
4	K	24	Very low	28.6	Very low	189 Å²	189	162.5 Å²	162.5	82%	0.822	83%	0.83	S	S	*	*			trans	-62.8	145.6	174	-72.8	178.6	174.5	178	0	109.7	R2 A6	R2-K4 PolarHBondContact O-N 3.4Å; K4-A6 PolarHBondContact O-N 3.32Å
5	G	25.4	Very low	28.7	Very low	76 Å²	76	158.1 Å²	158.1	78%	0.784	82%	0.819	S	S	*	*			trans	-51	124	-172	0	0	0	0	0	113.5
6	A	27.6	Very low	28.5	Very low	86 Å²	86	158.6 Å²	158.6	71%	0.711	82%	0.819	S	S	*	*			trans	-110.1	111.8	161.3	0	0	0	0	0	106.9	K4	K4-A6 PolarHBondContact O-N 3.32Å
7	Y	26	Very low	28.6	Very low	153 Å²	153	163.2 Å²	163.2	60%	0.6	82%	0.824	S	S	*	*			trans	-81.4	134	158.1	-63.1	-93.3	0	0	0	106.2	L34	Y7-L34 HydrophobicContact CD1-CD2 4.38Å; Y7-L34 HydrophobicContact CE1-CD2 3.42Å; Y7-L34 VanDerWaalsContact CE1-CD2 3.42Å; Y7-L34 HydrophobicContact CE1-CG 4.39Å; Y7-L34 WeakPolarHBondContact OH-CD2 3.42Å
8	F	36.2	Very low	28.6	Very low	187 Å²	187	161.8 Å²	161.8	82%	0.82	82%	0.824	S	S	*	*			trans	-140.3	137.8	172.8	-124.1	-91.3	0	0	0	114.2
9	L	26.4	Very low	28.6	Very low	135 Å²	135	158.4 Å²	158.4	71%	0.707	82%	0.817	S	S	*	*			trans	-71	129.3	172	-78.2	126.2	0	0	0	109.9
10	V	30.1	Very low	28.8	Very low	136 Å²	136	155.9 Å²	155.9	82%	0.824	81%	0.814	S	S	*	*			trans	-93.4	96.6	158.1	-176.5	0	0	0	0	106.6
11	G	26.6	Very low	29	Very low	64 Å²	64	157.7 Å²	157.7	66%	0.66	82%	0.818	S	S	*	*			trans	-120	104.3	168.6	0	0	0	0	0	108.2
12	M	32.4	Very low	29	Very low	185 Å²	185	151.3 Å²	151.3	91%	0.911	80%	0.797	S	S	*	*			trans	-79.3	123.6	168.1	-79	178.1	150.9	0	0	108.7
13	R	28.9	Very low	29.5	Very low	243 Å²	243	145 Å²	145	92%	0.917	79%	0.79	S	S	*	*			trans	-68.6	130.5	166.8	-74	171.4	167	166.1	-5	108.4
14	N	31	Very low	29.9	Very low	171 Å²	171	141 Å²	141	91%	0.914	78%	0.783	S	S	*	*			trans	-140.6	138.9	143.8	-117.8	-7.7	0	0	0	111.4
15	S	29.7	Very low	30.5	Very low	96 Å²	96	141 Å²	141	67%	0.671	79%	0.786	S	S	*	*			trans	-92	137.8	-169.9	-165.3	0	0	0	0	110.2
16	M	26.4	Very low	31	Very low	166 Å²	166	141.7 Å²	141.7	82%	0.818	78%	0.784	S	S	*	*			trans	64.3	100.2	155.2	-65.3	-173.9	-167.5	0	0	119.9
17	R	30.6	Very low	31.7	Very low	238 Å²	238	142.1 Å²	142.1	90%	0.898	78%	0.777	S	S	*	*				168.9	128.3	98.5	-94.2	177.3	-176	168.5	1.6	112.2
18	V	27.9	Very low	32.5	Very low	137 Å²	137	143.2 Å²	143.2	83%	0.83	79%	0.79	S	S	*	*			trans	-16.4	130.5	160.1	-168.4	0	0	0	0	114.4
19	S	28	Very low	33	Very low	98 Å²	98	142.2 Å²	142.2	69%	0.685	79%	0.788	S	S	*	*				-173.3	132.7	84.3	-50.9	0	0	0	0	112.6
20	S	33.5	Very low	34.3	Very low	107 Å²	107	141.3 Å²	141.3	75%	0.748	78%	0.784	S	S	*	*			trans	40.9	91.7	147.9	60.1	0	0	0	0	119.4
21	Q	33.7	Very low	36.2	Very low	195 Å²	195	145.4 Å²	145.4	91%	0.911	78%	0.784	S	S	*	*			trans	-159.3	115.1	140.2	-106.1	165	28	0	0	109.6
22	S	31.6	Very low	38.5	Very low	104 Å²	104	151.9 Å²	151.9	73%	0.727	79%	0.789	S	S	*	*			trans	-85.7	148.9	-174.9	53.9	0	0	0	0	112.1	A24	S22-A24 PolarHBondContact O-N 2.74Å
23	S	33	Very low	41	Very low	114 Å²	114	147.7 Å²	147.7	80%	0.797	77%	0.773	S	S	*	*	S	Bend	trans	79.5	1.2	148.6	41	0	0	0	0	121.8
24	A	39.1	Very low	43.9	Very low	82 Å²	82	140.7 Å²	140.7	68%	0.678	75%	0.754	S	S	*	*	S	Bend	trans	-103.1	-19.6	175.2	0	0	0	0	0	115.7	S22	S22-A24 PolarHBondContact O-N 2.74Å
25	E	36.6	Very low	46.8	Very low	189 Å²	189	135.1 Å²	135.1	88%	0.883	72%	0.723	S	S	*	*	S	Bend	trans	-88.4	-2.1	-174.2	-69.9	179.5	146.5	0	0	114.7
26	A	36.4	Very low	49.7	Very low	90 Å²	90	140.8 Å²	140.8	74%	0.744	73%	0.73	S	S	*	*	S	Bend	trans	-93.6	4.7	-168.4	0	0	0	0	0	116
27	V	41.7	Very low	52.9	Low	94 Å²	94	135.1 Å²	135.1	57%	0.57	71%	0.714	S	S	*	*			trans	-126.2	45.2	-176.2	-160.6	0	0	0	0	112.4	E29	V27-E29 VanDerWaalsContact C-N 3.35Å
28	M	43.4	Very low	55.9	Low	176 Å²	176	125.9 Å²	125.9	87%	0.867	68%	0.682	S	S	*	*			trans	-96.4	78.3	145	-76.7	-156.5	70.7	0	0	107.1	N30	M28-N30 PolarHBondContact O-N 3.29Å
29	E	45.6	Very low	59.1	Low	167 Å²	167	121.6 Å²	121.6	78%	0.78	65%	0.654	S	S	*	*			trans	-48.9	108.4	167	-174.1	88.5	-140.2	0	0	107.1	V27 R31	V27-E29 VanDerWaalsContact C-N 3.35Å; E29-R31 PolarHBondContact O-N 2.94Å
30	N	54.8	Low	62.3	Low	116 Å²	116	121.4 Å²	121.4	62%	0.62	65%	0.651	S	S	*	*			trans	-68.7	82.9	-170.2	-155.2	-8.5	0	0	0	108.1	M28 R32	M28-N30 PolarHBondContact O-N 3.29Å; N30-R32 VanDerWaalsContact C-N 3.32Å; N30-R32 PolarHBondContact O-N 3.04Å
31	R	68.5	Low	65.2	Low	221 Å²	221	124.5 Å²	124.5	83%	0.834	65%	0.647	S	S	*	*			trans	-63.3	95.7	178.7	-80.9	-172.5	-177.5	-175.7	2.1	108	E29 V33	E29-R31 PolarHBondContact O-N 2.94Å; R31-V33 PolarHBondContact O-N 2.67Å; R31-V33 VanDerWaalsContact O-N 3.16Å
32	R	75.9	Confident	68.2	Low	201 Å²	201	115.5 Å²	115.5	76%	0.758	61%	0.606	S	S	*	*			trans	-71.5	107.9	176.3	-74	-175.4	-90.7	-165.1	-5.2	108.7	N30	N30-R32 VanDerWaalsContact C-N 3.32Å; N30-R32 PolarHBondContact O-N 3.04Å
33	V	84.3	Confident	71.4	Confident	96 Å²	96	112.7 Å²	112.7	58%	0.582	58%	0.584	S	S	*	*			trans	-91.5	132.9	173	-175.7	0	0	0	0	109.1	R31 L35 L38	R31-V33 PolarHBondContact O-N 2.67Å; R31-V33 VanDerWaalsContact O-N 3.16Å; V33-L35 PolarHBondContact O-N 2.78Å; V33-L38 HydrophobicContact CB-CD1 4.49Å; V33-L38 HydrophobicContact CG1-CD1 3.98Å; V33-L38 HydrophobicContact CG1-CD2 3.91Å; V33-L38 HydrophobicContact CG1-CG 3.83Å
34	L	90.1	Very high	74.5	Confident	97 Å²	97	107.3 Å²	107.3	51%	0.508	55%	0.546	S	S	.	.			trans	-68.7	122.5	172.2	-77.6	170.9	0	0	0	109.8	Y7 R36 G37	Y7-L34 HydrophobicContact CD1-CD2 4.38Å; Y7-L34 HydrophobicContact CE1-CD2 3.42Å; Y7-L34 VanDerWaalsContact CE1-CD2 3.42Å; Y7-L34 HydrophobicContact CE1-CG 4.39Å; Y7-L34 WeakPolarHBondContact OH-CD2 3.42Å; L34-R36 PolarHBondContact O-N 3.45Å; L34-R36 VanDerWaalsContact O-N 3.11Å; L34-G37 WeakPolarHBondContact O-CA 3.38Å; L34-G37 PolarHBondContact O-N 2.9Å
35	L	91.4	Very high	77.3	Confident	53 Å²	53	108.7 Å²	108.7	28%	0.277	54%	0.535	S	S	.	.	H	α-helix	trans	-54.9	-34.7	177.7	-171.5	63.3	0	0	0	112.2	V33 G37 L38 N39 I42 Y50 V109	V33-L35 PolarHBondContact O-N 2.78Å; L35-G37 PolarHBondContact O-N 2.86Å; L35-L38 HydrophobicContact CD1-CD1 4.35Å; L35-L38 WeakPolarHBondContact O-CA 3.37Å; L35-L38 WeakPolarHBondContact O-CB 3.16Å; L35-L38 PolarHBondContact O-N 3.21Å; L35-N39 PolarHBondContact O-N 3.11Å; L35-N39 PolarHBondContact O-OD1 3.4Å; L35-I42 HydrophobicContact CD1-CD1 3.96Å; L35-Y50 WeakPolarHBondContact CD2-OH 3.36Å; L35-V109 HydrophobicContact CD1-CG2 4.28Å; L35-V109 HydrophobicContact CD2-CG1 4.5Å
36	R	92.2	Very high	80.2	Confident	216 Å²	216	102.6 Å²	102.6	82%	0.815	51%	0.511	S	S	*	.	H	α-helix	trans	-56.2	-34.9	174.9	-174.8	177.9	179.2	-170.5	-1.2	113	L34 L38	L34-R36 PolarHBondContact O-N 3.45Å; L34-R36 VanDerWaalsContact O-N 3.11Å; R36-L38 VanDerWaalsContact C-N 3.29Å
37	G	92.7	Very high	83.1	Confident	46 Å²	46	101.5 Å²	101.5	47%	0.474	50%	0.496	S	S	.	.	H	α-helix	trans	-72.3	-24.2	176	0	0	0	0	0	113.1	L34 L35 P40	L34-G37 WeakPolarHBondContact O-CA 3.38Å; L34-G37 PolarHBondContact O-N 2.9Å; L35-G37 PolarHBondContact O-N 2.86Å; G37-P40 WeakPolarHBondContact O-CD 3.49Å
38	L	93.5	Very high	85.8	Confident	44 Å²	44	103.6 Å²	103.6	23%	0.23	50%	0.498	C	S	.	.	H	α-helix	trans	-86.5	-27.6	178.9	-60.8	174.7	0	0	0	112.6	V33 L35 R36 P40 Y41 I42 L108	V33-L38 HydrophobicContact CB-CD1 4.49Å; V33-L38 HydrophobicContact CG1-CD1 3.98Å; V33-L38 HydrophobicContact CG1-CD2 3.91Å; V33-L38 HydrophobicContact CG1-CG 3.83Å; L35-L38 HydrophobicContact CD1-CD1 4.35Å; L35-L38 WeakPolarHBondContact O-CA 3.37Å; L35-L38 WeakPolarHBondContact O-CB 3.16Å; L35-L38 PolarHBondContact O-N 3.21Å; R36-L38 VanDerWaalsContact C-N 3.29Å; L38-P40 VanDerWaalsContact C-N 3.31Å; L38-P40 WeakPolarHBondContact O-CD 3.39Å; L38-P40 VanDerWaalsContact O-N 3.09Å; L38-Y41 WeakPolarHBondContact O-CD2 3.25Å; L38-Y41 PolarHBondContact O-N 2.78Å; L38-I42 HydrophobicContact CB-CD1 4.09Å; L38-I42 WeakPolarHBondContact O-CG1 3.18Å; L38-I42 PolarHBondContact O-N 3.36Å; L38-L108 HydrophobicContact CD1-CD1 4.28Å; L38-L108 HydrophobicContact CD1-CD2 4.3Å
39	N	95.1	Very high	88.4	Confident	47 Å²	47	96.7 Å²	96.7	25%	0.251	47%	0.472	S	S	.	.	H	α-helix	trans	-46.2	-40.9	-176.4	-73.4	-3.4	0	0	0	115.5	L35 Y41 I42 T43 Y50	L35-N39 PolarHBondContact O-N 3.11Å; L35-N39 PolarHBondContact O-OD1 3.4Å; N39-Y41 PolarHBondContact O-N 3.16Å; N39-Y41 VanDerWaalsContact O-N 3.08Å; N39-I42 PolarHBondContact O-N 3.02Å; N39-T43 HydrophobicContact CB-CG2 4.15Å; N39-T43 WeakPolarHBondContact O-CB 3.3Å; N39-T43 VanDerWaalsContact O-CG2 3.3Å; N39-T43 WeakPolarHBondContact O-CG2 3.36Å; N39-T43 PolarHBondContact O-N 3.01Å; N39-T43 VanDerWaalsContact O-N 3.12Å; N39-T43 PolarHBondContact O-OG1 3.28Å; N39-Y50 WeakPolarHBondContact OD1-CE1 3.5Å; N39-Y50 PolarHBondContact OD1-OH 3.03Å
40	P	94.6	Very high	90.9	Very high	94 Å²	94	92 Å²	92	61%	0.61	45%	0.447	S	S	*	.	H	α-helix	trans	-57.7	-23	177.4	-25.8	36.3	0	0	0	114.8	G37 L38	G37-P40 WeakPolarHBondContact O-CD 3.49Å; L38-P40 VanDerWaalsContact C-N 3.31Å; L38-P40 WeakPolarHBondContact O-CD 3.39Å; L38-P40 VanDerWaalsContact O-N 3.09Å
41	Y	94.8	Very high	93	Very high	173 Å²	173	86.6 Å²	86.6	68%	0.678	42%	0.419	S	S	*	.	H	α-helix	trans	-101.4	-16.4	-175.9	-49.2	-76.8	0	0	0	113.6	L38 N39	L38-Y41 WeakPolarHBondContact O-CD2 3.25Å; L38-Y41 PolarHBondContact O-N 2.78Å; N39-Y41 PolarHBondContact O-N 3.16Å; N39-Y41 VanDerWaalsContact O-N 3.08Å
42	I	97	Very high	94.4	Very high	6 Å²	6	77.4 Å²	77.4	3%	0.031	39%	0.386	C	S	.	.	H	α-helix	trans	-122.9	5.3	-172.4	63.5	175.2	0	0	0	113.8	L35 L38 N39 Y50 L51 V105 L108 V109	L35-I42 HydrophobicContact CD1-CD1 3.96Å; L38-I42 HydrophobicContact CB-CD1 4.09Å; L38-I42 WeakPolarHBondContact O-CG1 3.18Å; L38-I42 PolarHBondContact O-N 3.36Å; N39-I42 PolarHBondContact O-N 3.02Å; I42-Y50 HydrophobicContact CD1-CD1 4.03Å; I42-Y50 HydrophobicContact CD1-CE1 3.81Å; I42-Y50 HydrophobicContact CG1-CD1 4.01Å; I42-Y50 HydrophobicContact CG1-CE1 4.08Å; I42-L51 PolarHBondContact O-N 2.98Å; I42-L51 VanDerWaalsContact O-N 3.1Å; I42-V105 HydrophobicContact CB-CG2 3.92Å; I42-V105 HydrophobicContact CG2-CG2 3.93Å; I42-L108 HydrophobicContact CG2-CD1 4.43Å; I42-V109 HydrophobicContact CD1-CG2 3.73Å
43	T	98	Very high	95.4	Very high	45 Å²	45	70.8 Å²	70.8	28%	0.276	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-109	141.8	178.5	58.6	0	0	0	0	111.8	N39 G49 Y50	N39-T43 HydrophobicContact CB-CG2 4.15Å; N39-T43 WeakPolarHBondContact O-CB 3.3Å; N39-T43 VanDerWaalsContact O-CG2 3.3Å; N39-T43 WeakPolarHBondContact O-CG2 3.36Å; N39-T43 PolarHBondContact O-N 3.01Å; N39-T43 VanDerWaalsContact O-N 3.12Å; N39-T43 PolarHBondContact O-OG1 3.28Å; T43-G49 CarbonylContact C-O 3.48Å; T43-G49 VanDerWaalsContact CA-O 3.25Å; T43-G49 WeakPolarHBondContact CA-O 3.46Å; T43-G49 WeakPolarHBondContact CB-O 3.37Å; T43-Y50 HydrophobicContact CG2-CD1 3.79Å; T43-Y50 HydrophobicContact CG2-CE1 3.97Å
44	C	98.6	Very high	96.1	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.007	34%	0.338	C	S	.	.			trans	-74.1	130	177.8	-178.7	0	0	0	0	110.3	V46 C47 K48 G49 L51 C65	C44-V46 PolarHBondContact O-N 3.23Å; C44-V46 PolarHBondContact SG-N 3.46Å; C44-V46 VanDerWaalsContact SG-N 3.44Å; C44-C47 VanDerWaalsContact CB-SG 3.59Å; C44-K48 WeakPolarHBondContact O-CA 3.43Å; C44-K48 PolarHBondContact O-N 3.23Å; C44-G49 PolarHBondContact N-O 3.18Å; C44-L51 HydrophobicContact CB-CD2 3.89Å; C44-C65 VanDerWaalsContact CB-SG 3.56Å; C44-C65 PolarHBondContact SG-N 2.92Å; C44-C65 VanDerWaalsContact SG-N 3.44Å
45	Y	97.4	Very high	96.5	Very high	110 Å²	110	61.7 Å²	61.7	43%	0.431	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-29.2	177.2	-178.3	-95.1	0	0	0	113.6	K48 P80 K81	Y45-K48 WeakPolarHBondContact O-CD 3.49Å; Y45-K48 WeakPolarHBondContact O-CE 3.44Å; Y45-K48 PolarHBondContact O-NZ 3.1Å; Y45-P80 HydrophobicContact CD1-CB 4.4Å; Y45-P80 WeakPolarHBondContact CE1-O 3.27Å; Y45-K81 HydrophobicContact CD1-CB 4.1Å; Y45-K81 HydrophobicContact CD2-CB 4.41Å; Y45-K81 HydrophobicContact CD2-CD 4.31Å; Y45-K81 HydrophobicContact CD2-CG 4.02Å; Y45-K81 HydrophobicContact CE1-CB 4.47Å; Y45-K81 HydrophobicContact CE2-CG 4.28Å; Y45-K81 HydrophobicContact CG-CB 4.06Å; Y45-K81 HydrophobicContact CG-CD 4.48Å; Y45-K81 HydrophobicContact CG-CG 4.17Å
46	V	98.2	Very high	96.8	Very high	62 Å²	62	59.9 Å²	59.9	38%	0.376	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-59.9	-176.2	177.1	0	0	0	0	111.3	C44 F64 C68 P80	C44-V46 PolarHBondContact O-N 3.23Å; C44-V46 PolarHBondContact SG-N 3.46Å; C44-V46 VanDerWaalsContact SG-N 3.44Å; V46-F64 HydrophobicContact CG2-CD1 3.87Å; V46-F64 HydrophobicContact CG2-CE1 4.22Å; V46-C68 HydrophobicContact CB-CB 3.93Å; V46-C68 HydrophobicContact CG1-CB 3.96Å; V46-C68 HydrophobicContact CG2-CB 4.45Å; V46-P80 HydrophobicContact CG2-CB 3.76Å; V46-P80 HydrophobicContact CG2-CG 3.95Å
47	C	98.2	Very high	97	Very high	66 Å²	66	49.6 Å²	49.6	45%	0.446	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-8.9	-176.5	69.8	0	0	0	0	114.4	C44 G49	C44-C47 VanDerWaalsContact CB-SG 3.59Å; C47-G49 PolarHBondContact O-N 3.02Å; C47-G49 PolarHBondContact SG-N 3.5Å
48	K	97.5	Very high	97	Very high	139 Å²	139	49.7 Å²	49.7	60%	0.604	26%	0.26	S	S	*	.	S	Bend	trans	59.9	8.2	-174.7	-48.5	-57.7	-174.6	-169.1	0	115	C44 Y45	C44-K48 WeakPolarHBondContact O-CA 3.43Å; C44-K48 PolarHBondContact O-N 3.23Å; Y45-K48 WeakPolarHBondContact O-CD 3.49Å; Y45-K48 WeakPolarHBondContact O-CE 3.44Å; Y45-K48 PolarHBondContact O-NZ 3.1Å
49	G	97.8	Very high	96.8	Very high	31 Å²	31	53.3 Å²	53.3	32%	0.32	28%	0.276	S	S	.	.	S	Bend	trans	-87.7	177.7	170.2	0	0	0	0	0	112.4	T43 C44 C47	T43-G49 CarbonylContact C-O 3.48Å; T43-G49 VanDerWaalsContact CA-O 3.25Å; T43-G49 WeakPolarHBondContact CA-O 3.46Å; T43-G49 WeakPolarHBondContact CB-O 3.37Å; C44-G49 PolarHBondContact N-O 3.18Å; C47-G49 PolarHBondContact O-N 3.02Å; C47-G49 PolarHBondContact SG-N 3.5Å
50	Y	98.5	Very high	96.7	Very high	67 Å²	67	52.4 Å²	52.4	26%	0.263	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-65.7	151.5	169.3	-64	-65.2	0	0	0	111.2	L35 N39 I42 T43 I52 V109 L112	L35-Y50 WeakPolarHBondContact CD2-OH 3.36Å; N39-Y50 WeakPolarHBondContact OD1-CE1 3.5Å; N39-Y50 PolarHBondContact OD1-OH 3.03Å; I42-Y50 HydrophobicContact CD1-CD1 4.03Å; I42-Y50 HydrophobicContact CD1-CE1 3.81Å; I42-Y50 HydrophobicContact CG1-CD1 4.01Å; I42-Y50 HydrophobicContact CG1-CE1 4.08Å; T43-Y50 HydrophobicContact CG2-CD1 3.79Å; T43-Y50 HydrophobicContact CG2-CE1 3.97Å; Y50-I52 PolarHBondContact O-N 3.37Å; Y50-V109 HydrophobicContact CD1-CG2 3.77Å; Y50-V109 HydrophobicContact CD2-CG1 3.85Å; Y50-V109 HydrophobicContact CD2-CG2 4.44Å; Y50-V109 HydrophobicContact CE1-CG1 4.37Å; Y50-V109 HydrophobicContact CE1-CG2 3.8Å; Y50-V109 HydrophobicContact CE2-CG1 3.61Å; Y50-V109 HydrophobicContact CE2-CG2 4.46Å; Y50-V109 HydrophobicContact CG-CG1 4.33Å; Y50-V109 HydrophobicContact CG-CG2 4.11Å; Y50-L112 HydrophobicContact CD2-CD1 4.08Å; Y50-L112 HydrophobicContact CD2-CD2 4.42Å; Y50-L112 HydrophobicContact CG-CD1 4.48Å; Y50-L112 HydrophobicContact CG-CD2 4.16Å
51	L	98.6	Very high	96.8	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.016	28%	0.277	C	S	.	.			trans	-62.6	125.2	177.5	-66.3	165.6	0	0	0	110.8	I42 C44 A54 A63 L101 Q102 V105	I42-L51 PolarHBondContact O-N 2.98Å; I42-L51 VanDerWaalsContact O-N 3.1Å; C44-L51 HydrophobicContact CB-CD2 3.89Å; L51-A54 HydrophobicContact CB-CB 4.17Å; L51-A54 HydrophobicContact CD1-CB 4.45Å; L51-A63 HydrophobicContact CD1-CB 4.33Å; L51-L101 HydrophobicContact CD1-CD2 3.73Å; L51-L101 HydrophobicContact CD1-CG 4.04Å; L51-Q102 PolarHBondContact O-NE2 3.47Å; L51-Q102 VanDerWaalsContact O-NE2 3.13Å; L51-Q102 PolarHBondContact O-OE1 3.15Å; L51-V105 HydrophobicContact CB-CG1 4.44Å; L51-V105 HydrophobicContact CB-CG2 4.2Å; L51-V105 HydrophobicContact CD1-CG2 4.16Å
52	I	98.2	Very high	96.8	Very high	29 Å²	29	48.2 Å²	48.2	15%	0.149	26%	0.255	C	S	.	.	S	Bend	trans	-121.6	127.2	171.2	-58.6	-60.6	0	0	0	107.4	Y50 C65 K66 Y106 L112 E116	Y50-I52 PolarHBondContact O-N 3.37Å; I52-C65 PolarHBondContact N-SG 3.36Å; I52-C65 VanDerWaalsContact N-SG 3.35Å; I52-C65 VanDerWaalsContact O-CA 3.23Å; I52-C65 WeakPolarHBondContact O-CA 3.47Å; I52-C65 VanDerWaalsContact O-CB 3.27Å; I52-C65 WeakPolarHBondContact O-CB 3.05Å; I52-K66 PolarHBondContact O-N 3.4Å; I52-Y106 HydrophobicContact CD1-CE1 3.95Å; I52-L112 HydrophobicContact CD1-CD1 4.15Å; I52-L112 HydrophobicContact CD1-CD2 4.48Å; I52-L112 HydrophobicContact CD1-CG 4.28Å; I52-E116 HydrophobicContact CD1-CB 4.21Å; I52-E116 HydrophobicContact CD1-CG 4.07Å; I52-E116 HydrophobicContact CG2-CG 4Å
53	D	97.4	Very high	96.9	Very high	61 Å²	61	49.1 Å²	49.1	33%	0.326	26%	0.263	S	S	.	.	S	Bend	trans	47.7	60.8	-168.3	-56.6	-31.5	0	0	0	111.1	T55 K66 R120	D53-T55 PolarHBondContact O-N 3.34Å; D53-T55 PolarHBondContact O-OG1 2.98Å; D53-K66 HydrophobicContact CB-CB 3.76Å; D53-K66 HydrophobicContact CB-CD 4.43Å; D53-K66 WeakPolarHBondContact O-CB 3.47Å; D53-K66 PolarHBondContact O-N 3.28Å; D53-R120 VanDerWaalsContact CG-NH2 3.33Å; D53-R120 IonicContact OD1-NH2 2.83Å; D53-R120 PolarHBondContact OD1-NH2 3.23Å; D53-R120 IonicContact OD2-CZ 3.5Å; D53-R120 IonicContact OD2-NH1 2.64Å; D53-R120 IonicContact OD2-NH2 3.27Å; D53-R120 PolarHBondContact OD2-NH2 3.32Å
54	A	98.3	Very high	96.9	Very high	2 Å²	2	47 Å²	47	2%	0.017	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.4	128	-175.8	0	0	0	0	0	110.3	L51 F64 D98 L101 Q102	L51-A54 HydrophobicContact CB-CB 4.17Å; L51-A54 HydrophobicContact CD1-CB 4.45Å; A54-F64 WeakPolarHBondContact CA-O 3.29Å; A54-D98 HydrophobicContact CB-CB 4.34Å; A54-D98 PolarHBondContact O-N 2.59Å; A54-L101 HydrophobicContact CB-CB 4.41Å; A54-L101 HydrophobicContact CB-CD2 4.32Å; A54-L101 HydrophobicContact CB-CG 4.3Å; A54-Q102 HydrophobicContact CB-CB 3.97Å
55	T	98.2	Very high	96.9	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	123.8	-175.7	-59.2	0	0	0	0	108.2	D53 A63 F64 K66 L69 I95 M96 H97	D53-T55 PolarHBondContact O-N 3.34Å; D53-T55 PolarHBondContact O-OG1 2.98Å; T55-A63 WeakPolarHBondContact O-CA 3.34Å; T55-F64 PolarHBondContact N-O 2.86Å; T55-F64 PolarHBondContact O-N 3.37Å; T55-K66 WeakPolarHBondContact OG1-CA 3.48Å; T55-K66 WeakPolarHBondContact OG1-CB 3.18Å; T55-L69 HydrophobicContact CG2-CD2 3.99Å; T55-I95 HydrophobicContact CG2-CB 3.95Å; T55-I95 HydrophobicContact CG2-CD1 4.03Å; T55-I95 HydrophobicContact CG2-CG1 4.23Å; T55-M96 CarbonylContact C-O 3.59Å; T55-M96 VanDerWaalsContact CA-O 3.32Å; T55-M96 WeakPolarHBondContact CA-O 3.33Å; T55-H97 PolarHBondContact OG1-ND1 3.36Å
56	T	97.6	Very high	97	Very high	15 Å²	15	46.1 Å²	46.1	9%	0.092	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	138.4	-171.7	-63.2	0	0	0	0	109.9	L61 H62 I95 M96 D98	T56-L61 HydrophobicContact CG2-CB 4.35Å; T56-L61 HydrophobicContact CG2-CD2 4.18Å; T56-H62 WeakPolarHBondContact CA-O 3.29Å; T56-I95 CarbonylContact O-C 3.56Å; T56-I95 WeakPolarHBondContact O-CA 3.37Å; T56-M96 PolarHBondContact N-O 3Å; T56-M96 PolarHBondContact O-N 3.25Å; T56-D98 WeakPolarHBondContact OG1-CB 3.4Å; T56-D98 PolarHBondContact OG1-OD2 3.37Å
57	V	96.6	Very high	96.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	126.1	172.2	175.5	0	0	0	0	109.2	E59 C60 L61 H62 F64 L69 I86 I95	V57-E59 HydrophobicContact CG1-CB 4.44Å; V57-E59 PolarHBondContact O-N 3.27Å; V57-C60 VanDerWaalsContact CG1-SG 3.59Å; V57-L61 WeakPolarHBondContact O-CA 3.35Å; V57-L61 PolarHBondContact O-N 2.82Å; V57-H62 PolarHBondContact N-O 3.42Å; V57-F64 HydrophobicContact CG2-CD2 4.31Å; V57-F64 HydrophobicContact CG2-CE2 3.91Å; V57-L69 HydrophobicContact CG2-CD1 4.34Å; V57-L69 HydrophobicContact CG2-CD2 3.98Å; V57-I86 HydrophobicContact CB-CD1 4.48Å; V57-I86 HydrophobicContact CG1-CB 4.48Å; V57-I86 HydrophobicContact CG1-CD1 3.84Å; V57-I86 HydrophobicContact CG1-CG1 3.64Å; V57-I86 HydrophobicContact CG1-CG2 4.19Å; V57-I86 HydrophobicContact CG2-CD1 3.74Å; V57-I86 HydrophobicContact CG2-CG1 4.47Å; V57-I95 HydrophobicContact CG2-CG2 4.24Å
58	S	93.3	Very high	97	Very high	48 Å²	48	45.2 Å²	45.2	34%	0.336	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-41.5	-175.3	-56.6	0	0	0	0	113.1	C60 Y94	S58-C60 PolarHBondContact O-N 3.45Å; S58-Y94 PolarHBondContact N-O 3.23Å; S58-Y94 PolarHBondContact OG-O 3.12Å
59	E	89.3	Confident	97	Very high	119 Å²	119	38.6 Å²	38.6	56%	0.556	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-32.1	-173.8	-63.5	-56.4	124.3	0	0	114.3	V57	V57-E59 HydrophobicContact CG1-CB 4.44Å; V57-E59 PolarHBondContact O-N 3.27Å
60	C	93.5	Very high	97	Very high	28 Å²	28	38.9 Å²	38.9	19%	0.189	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.5	-0.5	-173.7	65.3	0	0	0	0	114.5	V57 S58 H62 C82 I84	V57-C60 VanDerWaalsContact CG1-SG 3.59Å; S58-C60 PolarHBondContact O-N 3.45Å; C60-H62 PolarHBondContact O-N 3.16Å; C60-C82 VanDerWaalsContact SG-SG 3.69Å; C60-I84 HydrophobicContact CB-CD1 4.45Å
61	L	94.9	Very high	97	Very high	133 Å²	133	38.1 Å²	38.1	70%	0.696	22%	0.22	S	C	*	.			trans	54.6	21.6	-180	-56.2	179.5	0	0	0	115.1	T56 V57	T56-L61 HydrophobicContact CG2-CB 4.35Å; T56-L61 HydrophobicContact CG2-CD2 4.18Å; V57-L61 WeakPolarHBondContact O-CA 3.35Å; V57-L61 PolarHBondContact O-N 2.82Å
62	H	96.4	Very high	96.9	Very high	46 Å²	46	40.1 Å²	40.1	21%	0.213	23%	0.229	C	C	.	.			trans	-78.2	132.3	170.6	-73.8	132.2	0	0	0	111	T56 V57 C60 F64 K81 C82	T56-H62 WeakPolarHBondContact CA-O 3.29Å; V57-H62 PolarHBondContact N-O 3.42Å; C60-H62 PolarHBondContact O-N 3.16Å; H62-F64 HydrophobicContact CB-CE2 3.72Å; H62-F64 HydrophobicContact CB-CZ 3.93Å; H62-F64 WeakPolarHBondContact O-CE2 3.3Å; H62-K81 PolarHBondContact CD2-NZ 3.46Å; H62-K81 WeakPolarHBondContact NE2-CE 3.38Å; H62-K81 PolarHBondContact NE2-NZ 3.48Å; H62-C82 PolarHBondContact ND1-SG 3.31Å; H62-C82 VanDerWaalsContact ND1-SG 3.37Å
63	A	97.9	Very high	96.9	Very high	25 Å²	25	39.3 Å²	39.3	21%	0.207	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	144.7	-177.5	0	0	0	0	0	113.1	L51 T55 L101	L51-A63 HydrophobicContact CD1-CB 4.33Å; T55-A63 WeakPolarHBondContact O-CA 3.34Å; A63-L101 HydrophobicContact CB-CD2 3.37Å
64	F	98.7	Very high	96.8	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	166.9	-177.4	-54.5	-89.6	0	0	0	110.5	V46 A54 T55 V57 H62 L69 P80 K81	V46-F64 HydrophobicContact CG2-CD1 3.87Å; V46-F64 HydrophobicContact CG2-CE1 4.22Å; A54-F64 WeakPolarHBondContact CA-O 3.29Å; T55-F64 PolarHBondContact N-O 2.86Å; T55-F64 PolarHBondContact O-N 3.37Å; V57-F64 HydrophobicContact CG2-CD2 4.31Å; V57-F64 HydrophobicContact CG2-CE2 3.91Å; H62-F64 HydrophobicContact CB-CE2 3.72Å; H62-F64 HydrophobicContact CB-CZ 3.93Å; H62-F64 WeakPolarHBondContact O-CE2 3.3Å; F64-L69 HydrophobicContact CB-CB 3.88Å; F64-L69 HydrophobicContact CB-CD2 4.43Å; F64-L69 HydrophobicContact CD2-CD1 3.86Å; F64-L69 HydrophobicContact CD2-CD2 3.89Å; F64-L69 HydrophobicContact CD2-CG 4.31Å; F64-L69 HydrophobicContact CE2-CD1 4.21Å; F64-L69 HydrophobicContact CG-CB 4.36Å; F64-L69 HydrophobicContact CG-CD1 4.26Å; F64-P80 HydrophobicContact CD1-CG 4.24Å; F64-P80 HydrophobicContact CE1-CB 3.76Å; F64-P80 HydrophobicContact CE1-CG 3.74Å; F64-P80 HydrophobicContact CE2-CG 4.49Å; F64-P80 HydrophobicContact CZ-CB 4.13Å; F64-P80 HydrophobicContact CZ-CG 3.9Å; F64-K81 HydrophobicContact CE1-CB 4.2Å; F64-K81 HydrophobicContact CZ-CB 3.91Å
65	C	98.8	Very high	96.6	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.034	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	142.2	166	-53.5	0	0	0	0	109.7	C44 I52 S67 C68 L69	C44-C65 VanDerWaalsContact CB-SG 3.56Å; C44-C65 PolarHBondContact SG-N 2.92Å; C44-C65 VanDerWaalsContact SG-N 3.44Å; I52-C65 PolarHBondContact N-SG 3.36Å; I52-C65 VanDerWaalsContact N-SG 3.35Å; I52-C65 VanDerWaalsContact O-CA 3.23Å; I52-C65 WeakPolarHBondContact O-CA 3.47Å; I52-C65 VanDerWaalsContact O-CB 3.27Å; I52-C65 WeakPolarHBondContact O-CB 3.05Å; C65-S67 VanDerWaalsContact C-N 3.33Å; C65-S67 PolarHBondContact O-N 2.98Å; C65-C68 HydrophobicContact CB-CB 4.08Å; C65-C68 WeakPolarHBondContact O-CB 3.47Å; C65-C68 PolarHBondContact O-N 3.08Å; C65-C68 VanDerWaalsContact O-N 3.08Å; C65-L69 PolarHBondContact O-N 3.35Å
66	K	98.3	Very high	96.6	Very high	89 Å²	89	59.7 Å²	59.7	39%	0.387	31%	0.308	S	S	.	.	H	α-helix	trans	-49.4	-52.6	177.6	-179	-179.3	-175.4	161.8	0	112.2	I52 D53 T55 C68 L69 V70 H97	I52-K66 PolarHBondContact O-N 3.4Å; D53-K66 HydrophobicContact CB-CB 3.76Å; D53-K66 HydrophobicContact CB-CD 4.43Å; D53-K66 WeakPolarHBondContact O-CB 3.47Å; D53-K66 PolarHBondContact O-N 3.28Å; T55-K66 WeakPolarHBondContact OG1-CA 3.48Å; T55-K66 WeakPolarHBondContact OG1-CB 3.18Å; K66-C68 VanDerWaalsContact C-N 3.29Å; K66-C68 PolarHBondContact O-N 3.44Å; K66-L69 PolarHBondContact O-N 3.08Å; K66-V70 HydrophobicContact CG-CG2 4.28Å; K66-V70 VanDerWaalsContact O-CB 3.32Å; K66-V70 WeakPolarHBondContact O-CB 3.48Å; K66-V70 WeakPolarHBondContact O-CG2 3.27Å; K66-V70 PolarHBondContact O-N 3.26Å; K66-H97 VanDerWaalsContact CD-CE1 3.47Å; K66-H97 WeakPolarHBondContact CD-CE1 3.46Å; K66-H97 PolarHBondContact NZ-CE1 2.88Å; K66-H97 PolarHBondContact NZ-NE2 3.4Å
67	S	97.8	Very high	96.5	Very high	88 Å²	88	61.5 Å²	61.5	62%	0.615	32%	0.319	S	S	*	.	H	α-helix	trans	-60.1	-39.5	-178.6	56.4	0	0	0	0	112.5	C65 A71	C65-S67 VanDerWaalsContact C-N 3.33Å; C65-S67 PolarHBondContact O-N 2.98Å; S67-A71 WeakPolarHBondContact O-CB 3.22Å; S67-A71 PolarHBondContact O-N 3.45Å
68	C	98.6	Very high	96.5	Very high	21 Å²	21	63.3 Å²	63.3	14%	0.142	33%	0.33	C	S	.	.	H	α-helix	trans	-68.9	-48.4	-179.3	-66.6	0	0	0	0	112	V46 C65 K66 H72	V46-C68 HydrophobicContact CB-CB 3.93Å; V46-C68 HydrophobicContact CG1-CB 3.96Å; V46-C68 HydrophobicContact CG2-CB 4.45Å; C65-C68 HydrophobicContact CB-CB 4.08Å; C65-C68 WeakPolarHBondContact O-CB 3.47Å; C65-C68 PolarHBondContact O-N 3.08Å; C65-C68 VanDerWaalsContact O-N 3.08Å; K66-C68 VanDerWaalsContact C-N 3.29Å; K66-C68 PolarHBondContact O-N 3.44Å; C68-H72 PolarHBondContact O-N 3.44Å; C68-H72 VanDerWaalsContact O-N 3.08Å
69	L	98.2	Very high	96.7	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-69.3	-44	-178.2	-174.5	58.9	0	0	0	111.5	T55 V57 F64 C65 K66 A71 H72 L73 P80 I95	T55-L69 HydrophobicContact CG2-CD2 3.99Å; V57-L69 HydrophobicContact CG2-CD1 4.34Å; V57-L69 HydrophobicContact CG2-CD2 3.98Å; F64-L69 HydrophobicContact CB-CB 3.88Å; F64-L69 HydrophobicContact CB-CD2 4.43Å; F64-L69 HydrophobicContact CD2-CD1 3.86Å; F64-L69 HydrophobicContact CD2-CD2 3.89Å; F64-L69 HydrophobicContact CD2-CG 4.31Å; F64-L69 HydrophobicContact CE2-CD1 4.21Å; F64-L69 HydrophobicContact CG-CB 4.36Å; F64-L69 HydrophobicContact CG-CD1 4.26Å; C65-L69 PolarHBondContact O-N 3.35Å; K66-L69 PolarHBondContact O-N 3.08Å; L69-A71 VanDerWaalsContact C-N 3.32Å; L69-A71 PolarHBondContact O-N 3.08Å; L69-H72 PolarHBondContact O-N 2.89Å; L69-L73 HydrophobicContact CD1-CD1 4.15Å; L69-L73 HydrophobicContact CD1-CG 4.17Å; L69-L73 HydrophobicContact CG-CD1 3.95Å; L69-L73 HydrophobicContact CG-CG 4.35Å; L69-L73 WeakPolarHBondContact O-CB 3.33Å; L69-L73 VanDerWaalsContact O-CG 3.3Å; L69-L73 WeakPolarHBondContact O-CG 3.42Å; L69-L73 PolarHBondContact O-N 3.35Å; L69-P80 HydrophobicContact CD1-CG 3.95Å; L69-I95 HydrophobicContact CD2-CB 4.12Å; L69-I95 HydrophobicContact CD2-CD1 4.29Å; L69-I95 HydrophobicContact CD2-CG2 3.63Å; L69-I95 HydrophobicContact CG-CG2 4.36Å
70	V	97.9	Very high	97.1	Very high	37 Å²	37	56.2 Å²	56.2	22%	0.224	29%	0.293	C	S	.	.	H	α-helix	trans	-62.4	-40.5	177.6	173.1	0	0	0	0	111.1	K66 L73 R74 L92 I95	K66-V70 HydrophobicContact CG-CG2 4.28Å; K66-V70 VanDerWaalsContact O-CB 3.32Å; K66-V70 WeakPolarHBondContact O-CB 3.48Å; K66-V70 WeakPolarHBondContact O-CG2 3.27Å; K66-V70 PolarHBondContact O-N 3.26Å; V70-L73 PolarHBondContact O-N 3.34Å; V70-R74 WeakPolarHBondContact O-CG 3.45Å; V70-R74 PolarHBondContact O-N 3.13Å; V70-L92 HydrophobicContact CB-CD2 4.49Å; V70-L92 HydrophobicContact CG1-CD2 4.3Å; V70-L92 HydrophobicContact CG2-CD2 4.18Å; V70-I95 HydrophobicContact CG2-CD1 4.16Å
71	A	97.9	Very high	97.3	Very high	51 Å²	51	59.9 Å²	59.9	42%	0.421	31%	0.306	S	S	.	.	H	α-helix	trans	-62.3	-45.7	175.5	0	0	0	0	0	111.8	S67 L69 L73 R74	S67-A71 WeakPolarHBondContact O-CB 3.22Å; S67-A71 PolarHBondContact O-N 3.45Å; L69-A71 VanDerWaalsContact C-N 3.32Å; L69-A71 PolarHBondContact O-N 3.08Å; A71-L73 VanDerWaalsContact C-N 3.34Å; A71-L73 PolarHBondContact O-N 3.33Å; A71-R74 WeakPolarHBondContact O-CB 3.4Å; A71-R74 PolarHBondContact O-N 3.27Å
72	H	97.9	Very high	97.4	Very high	44 Å²	44	55.7 Å²	55.7	20%	0.204	29%	0.287	C	S	.	.	H	α-helix	trans	-60.3	-43.4	176.5	-176	85.1	0	0	0	112.5	C68 L69 R74 E75 K76 T78 P80	C68-H72 PolarHBondContact O-N 3.44Å; C68-H72 VanDerWaalsContact O-N 3.08Å; L69-H72 PolarHBondContact O-N 2.89Å; H72-R74 PolarHBondContact O-N 3.12Å; H72-R74 VanDerWaalsContact O-N 3.15Å; H72-E75 PolarHBondContact O-N 3.1Å; H72-K76 PolarHBondContact O-N 2.83Å; H72-T78 PolarHBondContact CD2-O 2.89Å; H72-T78 PolarHBondContact NE2-O 3.39Å; H72-P80 HydrophobicContact CB-CG 4.33Å
73	L	97.1	Very high	97.3	Very high	12 Å²	12	60.9 Å²	60.9	6%	0.063	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-7.3	-177.2	-72.6	-179.2	0	0	0	114.8	L69 V70 A71 E75 K76 I86 P91 L92 I95	L69-L73 HydrophobicContact CD1-CD1 4.15Å; L69-L73 HydrophobicContact CD1-CG 4.17Å; L69-L73 HydrophobicContact CG-CD1 3.95Å; L69-L73 HydrophobicContact CG-CG 4.35Å; L69-L73 WeakPolarHBondContact O-CB 3.33Å; L69-L73 VanDerWaalsContact O-CG 3.3Å; L69-L73 WeakPolarHBondContact O-CG 3.42Å; L69-L73 PolarHBondContact O-N 3.35Å; V70-L73 PolarHBondContact O-N 3.34Å; A71-L73 VanDerWaalsContact C-N 3.34Å; A71-L73 PolarHBondContact O-N 3.33Å; L73-E75 VanDerWaalsContact C-N 3.32Å; L73-K76 WeakPolarHBondContact CA-O 3.44Å; L73-K76 VanDerWaalsContact CD2-O 3.22Å; L73-K76 WeakPolarHBondContact CD2-O 3.45Å; L73-I86 HydrophobicContact CD2-CD1 3.83Å; L73-P91 HydrophobicContact CB-CG 4.38Å; L73-P91 HydrophobicContact CD1-CB 4.2Å; L73-P91 HydrophobicContact CD2-CB 3.72Å; L73-P91 HydrophobicContact CD2-CG 4.06Å; L73-P91 HydrophobicContact CG-CB 4.43Å; L73-L92 HydrophobicContact CB-CD2 3.92Å; L73-L92 HydrophobicContact CD1-CD2 3.9Å; L73-I95 HydrophobicContact CD1-CD1 4.1Å; L73-I95 HydrophobicContact CD1-CG2 3.84Å
74	R	95.4	Very high	97.1	Very high	203 Å²	203	64.2 Å²	64.2	77%	0.766	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-27.1	169.3	-69.2	172.3	-178.5	-170.1	-1.7	112.5	V70 A71 H72	V70-R74 WeakPolarHBondContact O-CG 3.45Å; V70-R74 PolarHBondContact O-N 3.13Å; A71-R74 WeakPolarHBondContact O-CB 3.4Å; A71-R74 PolarHBondContact O-N 3.27Å; H72-R74 PolarHBondContact O-N 3.12Å; H72-R74 VanDerWaalsContact O-N 3.15Å
75	E	95.2	Very high	97	Very high	172 Å²	172	68 Å²	68	80%	0.804	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	-35.9	-174.7	-63.8	178.5	-176.8	0	0	112.5	H72 L73	H72-E75 PolarHBondContact O-N 3.1Å; L73-E75 VanDerWaalsContact C-N 3.32Å
76	K	96.3	Very high	96.8	Very high	118 Å²	118	68 Å²	68	51%	0.513	35%	0.347	S	S	.	.			trans	-130	136.6	-174.2	-65.2	-177.4	-179.7	-176.4	0	110.8	H72 L73 T78	H72-K76 PolarHBondContact O-N 2.83Å; L73-K76 WeakPolarHBondContact CA-O 3.44Å; L73-K76 VanDerWaalsContact CD2-O 3.22Å; L73-K76 WeakPolarHBondContact CD2-O 3.45Å; K76-T78 VanDerWaalsContact C-N 3.29Å; K76-T78 PolarHBondContact O-N 3.21Å
77	T	96.1	Very high	96.6	Very high	53 Å²	53	66.2 Å²	66.2	33%	0.325	34%	0.34	S	S	.	.	S	Bend	trans	-91.2	10.8	179.9	56.6	0	0	0	0	113.5	I86 H87 P91	T77-I86 WeakPolarHBondContact O-CB 3.46Å; T77-I86 PolarHBondContact O-N 2.97Å; T77-H87 WeakPolarHBondContact CB-O 3.34Å; T77-P91 HydrophobicContact CG2-CG 4.1Å
78	T	97.2	Very high	96.3	Very high	37 Å²	37	70.1 Å²	70.1	23%	0.227	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-104.7	155	-175.5	55.2	0	0	0	0	111.9	H72 K76 E83 I84 V85	H72-T78 PolarHBondContact CD2-O 2.89Å; H72-T78 PolarHBondContact NE2-O 3.39Å; K76-T78 VanDerWaalsContact C-N 3.29Å; K76-T78 PolarHBondContact O-N 3.21Å; T78-E83 WeakPolarHBondContact CB-O 3.36Å; T78-E83 WeakPolarHBondContact CG2-O 3.33Å; T78-I84 CarbonylContact C-O 3.58Å; T78-I84 VanDerWaalsContact CA-O 3.31Å; T78-I84 WeakPolarHBondContact CA-O 3.36Å; T78-V85 HydrophobicContact CG2-CG2 4.13Å
79	C	97.9	Very high	96	Very high	1 Å²	1	73.1 Å²	73.1	1%	0.007	37%	0.37	C	S	.	.			trans	-64.7	128.9	171.4	177.2	0	0	0	0	110.7	K81 E83 I84 I86	C79-K81 PolarHBondContact O-N 3.01Å; C79-K81 VanDerWaalsContact O-N 3.07Å; C79-E83 VanDerWaalsContact O-CA 3.24Å; C79-E83 WeakPolarHBondContact O-CA 3.44Å; C79-E83 PolarHBondContact O-N 2.89Å; C79-I84 PolarHBondContact N-O 3.36Å; C79-I86 HydrophobicContact CB-CD1 4.22Å; C79-I86 HydrophobicContact CB-CG1 4.28Å
80	P	97.8	Very high	95.8	Very high	18 Å²	18	78.5 Å²	78.5	12%	0.117	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.8	-179.4	-19	24.1	0	0	0	114.8	Y45 V46 F64 L69 H72	Y45-P80 HydrophobicContact CD1-CB 4.4Å; Y45-P80 WeakPolarHBondContact CE1-O 3.27Å; V46-P80 HydrophobicContact CG2-CB 3.76Å; V46-P80 HydrophobicContact CG2-CG 3.95Å; F64-P80 HydrophobicContact CD1-CG 4.24Å; F64-P80 HydrophobicContact CE1-CB 3.76Å; F64-P80 HydrophobicContact CE1-CG 3.74Å; F64-P80 HydrophobicContact CE2-CG 4.49Å; F64-P80 HydrophobicContact CZ-CB 4.13Å; F64-P80 HydrophobicContact CZ-CG 3.9Å; L69-P80 HydrophobicContact CD1-CG 3.95Å; H72-P80 HydrophobicContact CB-CG 4.33Å
81	K	96.4	Very high	95.6	Very high	105 Å²	105	77.2 Å²	77.2	46%	0.457	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-42.1	-174	-177	174.6	168.7	-150.7	0	113.5	Y45 H62 F64 C79	Y45-K81 HydrophobicContact CD1-CB 4.1Å; Y45-K81 HydrophobicContact CD2-CB 4.41Å; Y45-K81 HydrophobicContact CD2-CD 4.31Å; Y45-K81 HydrophobicContact CD2-CG 4.02Å; Y45-K81 HydrophobicContact CE1-CB 4.47Å; Y45-K81 HydrophobicContact CE2-CG 4.28Å; Y45-K81 HydrophobicContact CG-CB 4.06Å; Y45-K81 HydrophobicContact CG-CD 4.48Å; Y45-K81 HydrophobicContact CG-CG 4.17Å; H62-K81 PolarHBondContact CD2-NZ 3.46Å; H62-K81 WeakPolarHBondContact NE2-CE 3.38Å; H62-K81 PolarHBondContact NE2-NZ 3.48Å; F64-K81 HydrophobicContact CE1-CB 4.2Å; F64-K81 HydrophobicContact CZ-CB 3.91Å; C79-K81 PolarHBondContact O-N 3.01Å; C79-K81 VanDerWaalsContact O-N 3.07Å
82	C	96.6	Very high	95.5	Very high	45 Å²	45	78.8 Å²	78.8	30%	0.304	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	1.9	-174.8	66.1	0	0	0	0	114	C60 H62 I84	C60-C82 VanDerWaalsContact SG-SG 3.69Å; H62-C82 PolarHBondContact ND1-SG 3.31Å; H62-C82 VanDerWaalsContact ND1-SG 3.37Å; C82-I84 PolarHBondContact O-N 3.47Å
83	E	95.9	Very high	95.3	Very high	154 Å²	154	82.6 Å²	82.6	72%	0.72	41%	0.41	S	S	*	.			trans	62.1	1.7	172.1	-56	-176.6	168.7	0	0	116.5	T78 C79 V85	T78-E83 WeakPolarHBondContact CB-O 3.36Å; T78-E83 WeakPolarHBondContact CG2-O 3.33Å; C79-E83 VanDerWaalsContact O-CA 3.24Å; C79-E83 WeakPolarHBondContact O-CA 3.44Å; C79-E83 PolarHBondContact O-N 2.89Å; E83-V85 PolarHBondContact O-N 3.47Å
84	I	93.6	Very high	95.2	Very high	95 Å²	95	86 Å²	86	49%	0.487	42%	0.423	S	S	.	.			trans	-57.5	136.3	169.6	-63.5	172.5	0	0	0	109.3	C60 T78 C79 C82 I86	C60-I84 HydrophobicContact CB-CD1 4.45Å; T78-I84 CarbonylContact C-O 3.58Å; T78-I84 VanDerWaalsContact CA-O 3.31Å; T78-I84 WeakPolarHBondContact CA-O 3.36Å; C79-I84 PolarHBondContact N-O 3.36Å; C82-I84 PolarHBondContact O-N 3.47Å; I84-I86 PolarHBondContact O-N 3.39Å
85	V	95.4	Very high	95.3	Very high	79 Å²	79	77.6 Å²	77.6	48%	0.479	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-65	118.7	173.6	179.6	0	0	0	0	108.8	T78 E83	T78-V85 HydrophobicContact CG2-CG2 4.13Å; E83-V85 PolarHBondContact O-N 3.47Å
86	I	94.8	Very high	95.3	Very high	7 Å²	7	75.5 Å²	75.5	4%	0.036	38%	0.384	C	S	.	.	S	Bend	trans	-72.4	-47.6	179.8	-66.4	171.6	0	0	0	109.6	V57 L73 T77 C79 I84 P91	V57-I86 HydrophobicContact CB-CD1 4.48Å; V57-I86 HydrophobicContact CG1-CB 4.48Å; V57-I86 HydrophobicContact CG1-CD1 3.84Å; V57-I86 HydrophobicContact CG1-CG1 3.64Å; V57-I86 HydrophobicContact CG1-CG2 4.19Å; V57-I86 HydrophobicContact CG2-CD1 3.74Å; V57-I86 HydrophobicContact CG2-CG1 4.47Å; L73-I86 HydrophobicContact CD2-CD1 3.83Å; T77-I86 WeakPolarHBondContact O-CB 3.46Å; T77-I86 PolarHBondContact O-N 2.97Å; C79-I86 HydrophobicContact CB-CD1 4.22Å; C79-I86 HydrophobicContact CB-CG1 4.28Å; I84-I86 PolarHBondContact O-N 3.39Å; I86-P91 HydrophobicContact CB-CB 4.19Å; I86-P91 HydrophobicContact CG2-CB 4.05Å
87	H	94.8	Very high	95.3	Very high	51 Å²	51	75 Å²	75	24%	0.236	38%	0.383	C	S	.	.			trans	-165.2	151.7	172.6	-171.9	-82.3	0	0	0	109.9	T77 S89 H90 Y94	T77-H87 WeakPolarHBondContact CB-O 3.34Å; H87-S89 PolarHBondContact ND1-N 3.39Å; H87-H90 PolarHBondContact ND1-N 2.91Å; H87-Y94 HydrophobicContact CB-CD2 3.72Å; H87-Y94 HydrophobicContact CB-CE2 4.01Å; H87-Y94 HydrophobicContact CB-CG 4.29Å; H87-Y94 AromaticContact CD2-CD2 3.69Å; H87-Y94 AromaticContact CD2-CE2 3.02Å; H87-Y94 WeakPolarHBondContact CD2-CE2 3.22Å; H87-Y94 AromaticContact CD2-CZ 3.3Å; H87-Y94 PolarHBondContact CD2-OH 2.72Å; H87-Y94 AromaticContact CG-CD2 3.81Å; H87-Y94 AromaticContact CG-CE2 3.56Å; H87-Y94 AromaticContact NE2-CE2 3.65Å; H87-Y94 AromaticContact NE2-CZ 3.9Å
88	Q	91.4	Very high	95.3	Very high	169 Å²	169	74.6 Å²	74.6	79%	0.79	38%	0.38	S	S	*	.	S	Bend	trans	-63.6	-47.6	-176.2	-63.5	174.1	3.4	0	0	113.8
89	S	92.2	Very high	95.1	Very high	84 Å²	84	78.9 Å²	78.9	59%	0.587	39%	0.392	S	S	*	.	S	Bend	trans	-117.6	-34.4	-176.8	-42.2	0	0	0	0	115.5	H87 P91	H87-S89 PolarHBondContact ND1-N 3.39Å; S89-P91 VanDerWaalsContact C-CD 3.43Å; S89-P91 WeakPolarHBondContact O-CD 3.24Å
90	H	93.3	Very high	94.9	Very high	114 Å²	114	82.2 Å²	82.2	53%	0.528	41%	0.409	S	S	.	.			trans	-122.8	59.8	-171.3	-54.2	104.2	0	0	0	113	H87 L92 N93 Y94	H87-H90 PolarHBondContact ND1-N 2.91Å; H90-L92 PolarHBondContact O-N 3.44Å; H90-L92 VanDerWaalsContact O-N 3.17Å; H90-N93 PolarHBondContact O-N 3.07Å; H90-N93 VanDerWaalsContact O-N 3.1Å; H90-Y94 WeakPolarHBondContact O-CD2 3.35Å
91	P	94.9	Very high	94.8	Very high	9 Å²	9	82.9 Å²	82.9	6%	0.058	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-61.2	-27.3	-176.2	29.1	-38.6	0	0	0	113.6	L73 T77 I86 S89 N93 Y94	L73-P91 HydrophobicContact CB-CG 4.38Å; L73-P91 HydrophobicContact CD1-CB 4.2Å; L73-P91 HydrophobicContact CD2-CB 3.72Å; L73-P91 HydrophobicContact CD2-CG 4.06Å; L73-P91 HydrophobicContact CG-CB 4.43Å; T77-P91 HydrophobicContact CG2-CG 4.1Å; I86-P91 HydrophobicContact CB-CB 4.19Å; I86-P91 HydrophobicContact CG2-CB 4.05Å; S89-P91 VanDerWaalsContact C-CD 3.43Å; S89-P91 WeakPolarHBondContact O-CD 3.24Å; P91-N93 PolarHBondContact O-N 3.39Å; P91-Y94 PolarHBondContact O-N 2.96Å
92	L	95.3	Very high	94.8	Very high	84 Å²	84	78.5 Å²	78.5	44%	0.44	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-64.6	-19.3	177.5	-65.4	176.1	0	0	0	113.8	V70 L73 H90 Y94 I95	V70-L92 HydrophobicContact CB-CD2 4.49Å; V70-L92 HydrophobicContact CG1-CD2 4.3Å; V70-L92 HydrophobicContact CG2-CD2 4.18Å; L73-L92 HydrophobicContact CB-CD2 3.92Å; L73-L92 HydrophobicContact CD1-CD2 3.9Å; H90-L92 PolarHBondContact O-N 3.44Å; H90-L92 VanDerWaalsContact O-N 3.17Å; L92-Y94 VanDerWaalsContact C-N 3.29Å; L92-I95 HydrophobicContact CD2-CD1 3.92Å; L92-I95 VanDerWaalsContact O-CG1 3.29Å; L92-I95 WeakPolarHBondContact O-CG1 3.31Å
93	N	94.7	Very high	94.8	Very high	125 Å²	125	80.1 Å²	80.1	67%	0.668	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-81.8	-11.2	175.4	-66.9	-7	0	0	0	112.6	H90 P91	H90-N93 PolarHBondContact O-N 3.07Å; H90-N93 VanDerWaalsContact O-N 3.1Å; P91-N93 PolarHBondContact O-N 3.39Å
94	Y	95	Very high	94.7	Very high	84 Å²	84	77 Å²	77	33%	0.329	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-113	26.1	-176.1	-68.3	-98.7	0	0	0	111.6	S58 H87 H90 P91 L92	S58-Y94 PolarHBondContact N-O 3.23Å; S58-Y94 PolarHBondContact OG-O 3.12Å; H87-Y94 HydrophobicContact CB-CD2 3.72Å; H87-Y94 HydrophobicContact CB-CE2 4.01Å; H87-Y94 HydrophobicContact CB-CG 4.29Å; H87-Y94 AromaticContact CD2-CD2 3.69Å; H87-Y94 AromaticContact CD2-CE2 3.02Å; H87-Y94 WeakPolarHBondContact CD2-CE2 3.22Å; H87-Y94 AromaticContact CD2-CZ 3.3Å; H87-Y94 PolarHBondContact CD2-OH 2.72Å; H87-Y94 AromaticContact CG-CD2 3.81Å; H87-Y94 AromaticContact CG-CE2 3.56Å; H87-Y94 AromaticContact NE2-CE2 3.65Å; H87-Y94 AromaticContact NE2-CZ 3.9Å; H90-Y94 WeakPolarHBondContact O-CD2 3.35Å; P91-Y94 PolarHBondContact O-N 2.96Å; L92-Y94 VanDerWaalsContact C-N 3.29Å
95	I	96.1	Very high	94.9	Very high	26 Å²	26	72.4 Å²	72.4	13%	0.133	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	144.9	169.6	63.6	171.3	0	0	0	108.8	T55 T56 V57 L69 V70 L73 L92	T55-I95 HydrophobicContact CG2-CB 3.95Å; T55-I95 HydrophobicContact CG2-CD1 4.03Å; T55-I95 HydrophobicContact CG2-CG1 4.23Å; T56-I95 CarbonylContact O-C 3.56Å; T56-I95 WeakPolarHBondContact O-CA 3.37Å; V57-I95 HydrophobicContact CG2-CG2 4.24Å; L69-I95 HydrophobicContact CD2-CB 4.12Å; L69-I95 HydrophobicContact CD2-CD1 4.29Å; L69-I95 HydrophobicContact CD2-CG2 3.63Å; L69-I95 HydrophobicContact CG-CG2 4.36Å; V70-I95 HydrophobicContact CG2-CD1 4.16Å; L73-I95 HydrophobicContact CD1-CD1 4.1Å; L73-I95 HydrophobicContact CD1-CG2 3.84Å; L92-I95 HydrophobicContact CD2-CD1 3.92Å; L92-I95 VanDerWaalsContact O-CG1 3.29Å; L92-I95 WeakPolarHBondContact O-CG1 3.31Å
96	M	96.3	Very high	95	Very high	128 Å²	128	70.5 Å²	70.5	63%	0.631	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.8	144	-176.4	-64.2	-177.9	64	0	0	110.8	T55 T56 D98	T55-M96 CarbonylContact C-O 3.59Å; T55-M96 VanDerWaalsContact CA-O 3.32Å; T55-M96 WeakPolarHBondContact CA-O 3.33Å; T56-M96 PolarHBondContact N-O 3Å; T56-M96 PolarHBondContact O-N 3.25Å; M96-D98 PolarHBondContact O-N 2.89Å
97	H	95.4	Very high	94.9	Very high	106 Å²	106	78.5 Å²	78.5	49%	0.491	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	123.4	171.9	-68.8	-38.4	0	0	0	110.3	T55 K66 R99	T55-H97 PolarHBondContact OG1-ND1 3.36Å; K66-H97 VanDerWaalsContact CD-CE1 3.47Å; K66-H97 WeakPolarHBondContact CD-CE1 3.46Å; K66-H97 PolarHBondContact NZ-CE1 2.88Å; K66-H97 PolarHBondContact NZ-NE2 3.4Å; H97-R99 PolarHBondContact O-N 3.15Å
98	D	96.3	Very high	94.9	Very high	46 Å²	46	79.8 Å²	79.8	25%	0.246	39%	0.39	C	S	.	.			trans	-98.1	81.3	179.4	-164	-26.6	0	0	0	109.5	A54 T56 M96 N100 L101 Q102	A54-D98 HydrophobicContact CB-CB 4.34Å; A54-D98 PolarHBondContact O-N 2.59Å; T56-D98 WeakPolarHBondContact OG1-CB 3.4Å; T56-D98 PolarHBondContact OG1-OD2 3.37Å; M96-D98 PolarHBondContact O-N 2.89Å; D98-N100 VanDerWaalsContact C-N 3.31Å; D98-N100 PolarHBondContact O-N 2.84Å; D98-L101 HydrophobicContact CB-CB 4Å; D98-L101 PolarHBondContact O-N 3.47Å; D98-L101 VanDerWaalsContact OD1-CB 3.22Å; D98-L101 WeakPolarHBondContact OD1-CB 3.4Å; D98-L101 PolarHBondContact OD1-N 3.43Å; D98-Q102 WeakPolarHBondContact O-CB 3.45Å; D98-Q102 PolarHBondContact O-N 3.15Å
99	R	94.1	Very high	95.1	Very high	127 Å²	127	72.1 Å²	72.1	48%	0.479	35%	0.354	S	S	.	.	H	α-helix	trans	-60.9	-42	-177.3	-61.6	-178.8	-177.6	-168.8	-5.4	111.4	H97 Q102 D103 S150	H97-R99 PolarHBondContact O-N 3.15Å; R99-Q102 PolarHBondContact O-N 3.32Å; R99-D103 WeakPolarHBondContact O-CB 3.3Å; R99-D103 VanDerWaalsContact O-CG 3.23Å; R99-D103 PolarHBondContact O-N 2.87Å; R99-S150 PolarHBondContact NH1-O 2.88Å; R99-S150 PolarHBondContact NH1-OG 3.07Å
100	N	93	Very high	95.2	Very high	70 Å²	70	72 Å²	72	37%	0.374	35%	0.352	S	S	.	.	H	α-helix	trans	-63.9	-47.6	-179.2	-67.4	-8.8	0	0	0	111	D98 Q102 D103 I104	D98-N100 VanDerWaalsContact C-N 3.31Å; D98-N100 PolarHBondContact O-N 2.84Å; N100-Q102 VanDerWaalsContact C-N 3.31Å; N100-Q102 PolarHBondContact O-N 3.4Å; N100-D103 PolarHBondContact O-N 3.23Å; N100-I104 WeakPolarHBondContact O-CD1 3.23Å; N100-I104 VanDerWaalsContact O-CG1 3.23Å; N100-I104 WeakPolarHBondContact O-CG1 3.48Å; N100-I104 PolarHBondContact O-N 3.44Å
101	L	95.9	Very high	95.3	Very high	33 Å²	33	71.6 Å²	71.6	17%	0.173	35%	0.353	C	S	.	.	H	α-helix	trans	-62.3	-41.8	175.9	-178.6	58	0	0	0	111.1	L51 A54 A63 D98 D103 I104 V105	L51-L101 HydrophobicContact CD1-CD2 3.73Å; L51-L101 HydrophobicContact CD1-CG 4.04Å; A54-L101 HydrophobicContact CB-CB 4.41Å; A54-L101 HydrophobicContact CB-CD2 4.32Å; A54-L101 HydrophobicContact CB-CG 4.3Å; A63-L101 HydrophobicContact CB-CD2 3.37Å; D98-L101 HydrophobicContact CB-CB 4Å; D98-L101 PolarHBondContact O-N 3.47Å; D98-L101 VanDerWaalsContact OD1-CB 3.22Å; D98-L101 WeakPolarHBondContact OD1-CB 3.4Å; D98-L101 PolarHBondContact OD1-N 3.43Å; L101-D103 VanDerWaalsContact C-N 3.34Å; L101-D103 PolarHBondContact O-N 3Å; L101-I104 PolarHBondContact O-N 3.06Å; L101-V105 HydrophobicContact CD1-CG2 4.21Å; L101-V105 HydrophobicContact CG-CG2 4.35Å; L101-V105 WeakPolarHBondContact O-CB 3.48Å; L101-V105 WeakPolarHBondContact O-CG2 3.33Å; L101-V105 PolarHBondContact O-N 2.91Å
102	Q	96.9	Very high	95.4	Very high	13 Å²	13	72.2 Å²	72.2	6%	0.061	36%	0.356	C	S	.	.	H	α-helix	trans	-61.5	-42.5	177.6	-171.7	56.5	61.7	0	0	112.2	L51 A54 D98 R99 N100 V105 Y106	L51-Q102 PolarHBondContact O-NE2 3.47Å; L51-Q102 VanDerWaalsContact O-NE2 3.13Å; L51-Q102 PolarHBondContact O-OE1 3.15Å; A54-Q102 HydrophobicContact CB-CB 3.97Å; D98-Q102 WeakPolarHBondContact O-CB 3.45Å; D98-Q102 PolarHBondContact O-N 3.15Å; R99-Q102 PolarHBondContact O-N 3.32Å; N100-Q102 VanDerWaalsContact C-N 3.31Å; N100-Q102 PolarHBondContact O-N 3.4Å; Q102-V105 PolarHBondContact O-N 3.45Å; Q102-Y106 HydrophobicContact CG-CD2 3.87Å; Q102-Y106 HydrophobicContact CG-CE2 3.54Å; Q102-Y106 PolarHBondContact O-N 3.43Å
103	D	95.4	Very high	95.4	Very high	79 Å²	79	71.5 Å²	71.5	42%	0.422	35%	0.348	S	S	.	.	H	α-helix	trans	-64.8	-42.4	177.6	-71.1	-15.2	0	0	0	111.6	R99 N100 L101 V105 Y106 K107	R99-D103 WeakPolarHBondContact O-CB 3.3Å; R99-D103 VanDerWaalsContact O-CG 3.23Å; R99-D103 PolarHBondContact O-N 2.87Å; N100-D103 PolarHBondContact O-N 3.23Å; L101-D103 VanDerWaalsContact C-N 3.34Å; L101-D103 PolarHBondContact O-N 3Å; D103-V105 VanDerWaalsContact C-N 3.34Å; D103-V105 PolarHBondContact O-N 3.41Å; D103-Y106 PolarHBondContact O-N 3.05Å; D103-K107 WeakPolarHBondContact O-CB 3.22Å; D103-K107 VanDerWaalsContact O-CG 3.26Å; D103-K107 WeakPolarHBondContact O-CG 3.32Å; D103-K107 PolarHBondContact O-N 2.87Å
104	I	94.7	Very high	95.5	Very high	87 Å²	87	70.4 Å²	70.4	45%	0.446	34%	0.337	S	S	.	.	H	α-helix	trans	-58.7	-48.3	173.9	-70.6	165.3	0	0	0	109.8	N100 L101 Y106 K107 L108	N100-I104 WeakPolarHBondContact O-CD1 3.23Å; N100-I104 VanDerWaalsContact O-CG1 3.23Å; N100-I104 WeakPolarHBondContact O-CG1 3.48Å; N100-I104 PolarHBondContact O-N 3.44Å; L101-I104 PolarHBondContact O-N 3.06Å; I104-Y106 PolarHBondContact O-N 3.04Å; I104-K107 PolarHBondContact O-N 3.24Å; I104-L108 HydrophobicContact CG2-CD1 3.46Å; I104-L108 VanDerWaalsContact CG2-CD1 3.46Å; I104-L108 HydrophobicContact CG2-CG 4.13Å; I104-L108 WeakPolarHBondContact O-CB 3.47Å; I104-L108 WeakPolarHBondContact O-CG 3.45Å; I104-L108 PolarHBondContact O-N 2.96Å
105	V	97.1	Very high	95.6	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-60.1	-46.6	179.9	173.8	0	0	0	0	111	I42 L51 L101 Q102 D103 K107 L108 V109 L112	I42-V105 HydrophobicContact CB-CG2 3.92Å; I42-V105 HydrophobicContact CG2-CG2 3.93Å; L51-V105 HydrophobicContact CB-CG1 4.44Å; L51-V105 HydrophobicContact CB-CG2 4.2Å; L51-V105 HydrophobicContact CD1-CG2 4.16Å; L101-V105 HydrophobicContact CD1-CG2 4.21Å; L101-V105 HydrophobicContact CG-CG2 4.35Å; L101-V105 WeakPolarHBondContact O-CB 3.48Å; L101-V105 WeakPolarHBondContact O-CG2 3.33Å; L101-V105 PolarHBondContact O-N 2.91Å; Q102-V105 PolarHBondContact O-N 3.45Å; D103-V105 VanDerWaalsContact C-N 3.34Å; D103-V105 PolarHBondContact O-N 3.41Å; V105-K107 VanDerWaalsContact C-N 3.35Å; V105-K107 PolarHBondContact O-N 3.25Å; V105-L108 PolarHBondContact O-N 3.43Å; V105-V109 HydrophobicContact CG1-CG2 4.39Å; V105-V109 WeakPolarHBondContact O-CG2 3.48Å; V105-V109 PolarHBondContact O-N 2.99Å; V105-L112 HydrophobicContact CG1-CD2 3.59Å
106	Y	96.7	Very high	95.6	Very high	38 Å²	38	69.7 Å²	69.7	15%	0.149	34%	0.338	C	S	.	.	H	α-helix	trans	-67.2	-32.4	179.2	-75.2	-34.3	0	0	0	113.7	I52 Q102 D103 I104 L112 Y113	I52-Y106 HydrophobicContact CD1-CE1 3.95Å; Q102-Y106 HydrophobicContact CG-CD2 3.87Å; Q102-Y106 HydrophobicContact CG-CE2 3.54Å; Q102-Y106 PolarHBondContact O-N 3.43Å; D103-Y106 PolarHBondContact O-N 3.05Å; I104-Y106 PolarHBondContact O-N 3.04Å; Y106-L112 HydrophobicContact CD1-CB 4.42Å; Y106-L112 HydrophobicContact CD1-CD2 4Å; Y106-L112 HydrophobicContact CD1-CG 4.03Å; Y106-L112 HydrophobicContact CE1-CD2 4.29Å; Y106-L112 HydrophobicContact CE1-CG 4.15Å; Y106-Y113 HydrophobicContact CD1-CD2 4.18Å; Y106-Y113 HydrophobicContact CD1-CG 4.45Å; Y106-Y113 AromaticContact CD2-CD2 3.78Å; Y106-Y113 HydrophobicContact CD2-CD2 3.78Å; Y106-Y113 HydrophobicContact CD2-CE2 4.46Å; Y106-Y113 HydrophobicContact CD2-CG 4.46Å; Y106-Y113 HydrophobicContact CE1-CD2 4.09Å; Y106-Y113 AromaticContact CE2-CD2 3.67Å; Y106-Y113 HydrophobicContact CE2-CD2 3.67Å; Y106-Y113 HydrophobicContact CE2-CE2 4.18Å; Y106-Y113 HydrophobicContact CG-CD2 4.04Å; Y106-Y113 HydrophobicContact CG-CG 4.34Å; Y106-Y113 AromaticContact CZ-CD2 3.84Å
107	K	94.4	Very high	95.6	Very high	176 Å²	176	64 Å²	64	77%	0.765	31%	0.311	S	S	*	.	H	α-helix	trans	-75.8	-35	175.6	-72.5	171.3	-178.6	172.9	0	112.5	D103 I104 V105	D103-K107 WeakPolarHBondContact O-CB 3.22Å; D103-K107 VanDerWaalsContact O-CG 3.26Å; D103-K107 WeakPolarHBondContact O-CG 3.32Å; D103-K107 PolarHBondContact O-N 2.87Å; I104-K107 PolarHBondContact O-N 3.24Å; V105-K107 VanDerWaalsContact C-N 3.35Å; V105-K107 PolarHBondContact O-N 3.25Å
108	L	94.4	Very high	95.6	Very high	78 Å²	78	63.2 Å²	63.2	41%	0.408	31%	0.307	S	S	.	.	H	α-helix	trans	-79.9	-37.5	-177.6	-71.6	175.9	0	0	0	113.5	L38 I42 I104 V105 P110	L38-L108 HydrophobicContact CD1-CD1 4.28Å; L38-L108 HydrophobicContact CD1-CD2 4.3Å; I42-L108 HydrophobicContact CG2-CD1 4.43Å; I104-L108 HydrophobicContact CG2-CD1 3.46Å; I104-L108 VanDerWaalsContact CG2-CD1 3.46Å; I104-L108 HydrophobicContact CG2-CG 4.13Å; I104-L108 WeakPolarHBondContact O-CB 3.47Å; I104-L108 WeakPolarHBondContact O-CG 3.45Å; I104-L108 PolarHBondContact O-N 2.96Å; V105-L108 PolarHBondContact O-N 3.43Å; L108-P110 WeakPolarHBondContact O-CD 3.43Å
109	V	95.6	Very high	95.5	Very high	8 Å²	8	69.1 Å²	69.1	5%	0.048	33%	0.326	C	S	.	.	S	Bend	trans	-93.6	113.9	-174	-173.1	0	0	0	0	110.5	L35 I42 Y50 V105 N111 L112	L35-V109 HydrophobicContact CD1-CG2 4.28Å; L35-V109 HydrophobicContact CD2-CG1 4.5Å; I42-V109 HydrophobicContact CD1-CG2 3.73Å; Y50-V109 HydrophobicContact CD1-CG2 3.77Å; Y50-V109 HydrophobicContact CD2-CG1 3.85Å; Y50-V109 HydrophobicContact CD2-CG2 4.44Å; Y50-V109 HydrophobicContact CE1-CG1 4.37Å; Y50-V109 HydrophobicContact CE1-CG2 3.8Å; Y50-V109 HydrophobicContact CE2-CG1 3.61Å; Y50-V109 HydrophobicContact CE2-CG2 4.46Å; Y50-V109 HydrophobicContact CG-CG1 4.33Å; Y50-V109 HydrophobicContact CG-CG2 4.11Å; V105-V109 HydrophobicContact CG1-CG2 4.39Å; V105-V109 WeakPolarHBondContact O-CG2 3.48Å; V105-V109 PolarHBondContact O-N 2.99Å; V109-N111 PolarHBondContact O-N 3.3Å; V109-L112 HydrophobicContact CB-CB 3.72Å; V109-L112 HydrophobicContact CB-CD2 3.77Å; V109-L112 HydrophobicContact CB-CG 4.36Å; V109-L112 HydrophobicContact CG1-CB 3.71Å; V109-L112 HydrophobicContact CG1-CD2 4.09Å; V109-L112 HydrophobicContact CG1-CG 4.34Å; V109-L112 HydrophobicContact CG2-CD2 4.03Å; V109-L112 WeakPolarHBondContact O-CB 3.08Å; V109-L112 PolarHBondContact O-N 2.99Å
110	P	93.9	Very high	95.6	Very high	82 Å²	82	66.2 Å²	66.2	53%	0.532	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	133.9	-177.8	-24	34.2	0	0	0	112.4	L108 L112	L108-P110 WeakPolarHBondContact O-CD 3.43Å; P110-L112 PolarHBondContact O-N 2.8Å
111	N	95.2	Very high	95.7	Very high	104 Å²	104	64.2 Å²	64.2	56%	0.556	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	5.2	179	-56.4	-61	0	0	0	115.8	V109 Y113 K114 N115	V109-N111 PolarHBondContact O-N 3.3Å; N111-Y113 PolarHBondContact O-N 3.49Å; N111-K114 PolarHBondContact O-N 3.26Å; N111-N115 VanDerWaalsContact O-CB 3.29Å; N111-N115 WeakPolarHBondContact O-CB 3.42Å; N111-N115 PolarHBondContact O-N 2.94Å; N111-N115 PolarHBondContact O-ND2 3.32Å; N111-N115 PolarHBondContact O-OD1 3.45Å
112	L	96.8	Very high	95.7	Very high	22 Å²	22	67.2 Å²	67.2	12%	0.115	32%	0.319	C	S	.	.	H	α-helix	trans	-61.1	-50.8	-176.4	-179.2	64	0	0	0	111.7	Y50 I52 V105 Y106 V109 P110 K114 N115 E116	Y50-L112 HydrophobicContact CD2-CD1 4.08Å; Y50-L112 HydrophobicContact CD2-CD2 4.42Å; Y50-L112 HydrophobicContact CG-CD1 4.48Å; Y50-L112 HydrophobicContact CG-CD2 4.16Å; I52-L112 HydrophobicContact CD1-CD1 4.15Å; I52-L112 HydrophobicContact CD1-CD2 4.48Å; I52-L112 HydrophobicContact CD1-CG 4.28Å; V105-L112 HydrophobicContact CG1-CD2 3.59Å; Y106-L112 HydrophobicContact CD1-CB 4.42Å; Y106-L112 HydrophobicContact CD1-CD2 4Å; Y106-L112 HydrophobicContact CD1-CG 4.03Å; Y106-L112 HydrophobicContact CE1-CD2 4.29Å; Y106-L112 HydrophobicContact CE1-CG 4.15Å; V109-L112 HydrophobicContact CB-CB 3.72Å; V109-L112 HydrophobicContact CB-CD2 3.77Å; V109-L112 HydrophobicContact CB-CG 4.36Å; V109-L112 HydrophobicContact CG1-CB 3.71Å; V109-L112 HydrophobicContact CG1-CD2 4.09Å; V109-L112 HydrophobicContact CG1-CG 4.34Å; V109-L112 HydrophobicContact CG2-CD2 4.03Å; V109-L112 WeakPolarHBondContact O-CB 3.08Å; V109-L112 PolarHBondContact O-N 2.99Å; P110-L112 PolarHBondContact O-N 2.8Å; L112-K114 PolarHBondContact O-N 3.4Å; L112-N115 PolarHBondContact O-N 2.9Å; L112-E116 WeakPolarHBondContact O-CB 3.26Å; L112-E116 PolarHBondContact O-N 2.8Å
113	Y	96.4	Very high	95.6	Very high	69 Å²	69	71.8 Å²	71.8	27%	0.271	34%	0.339	S	S	.	.	H	α-helix	trans	-59	-48.3	178	-178	-119.7	0	0	0	111.7	Y106 N111 N115 E116 M117 L135	Y106-Y113 HydrophobicContact CD1-CD2 4.18Å; Y106-Y113 HydrophobicContact CD1-CG 4.45Å; Y106-Y113 AromaticContact CD2-CD2 3.78Å; Y106-Y113 HydrophobicContact CD2-CD2 3.78Å; Y106-Y113 HydrophobicContact CD2-CE2 4.46Å; Y106-Y113 HydrophobicContact CD2-CG 4.46Å; Y106-Y113 HydrophobicContact CE1-CD2 4.09Å; Y106-Y113 AromaticContact CE2-CD2 3.67Å; Y106-Y113 HydrophobicContact CE2-CD2 3.67Å; Y106-Y113 HydrophobicContact CE2-CE2 4.18Å; Y106-Y113 HydrophobicContact CG-CD2 4.04Å; Y106-Y113 HydrophobicContact CG-CG 4.34Å; Y106-Y113 AromaticContact CZ-CD2 3.84Å; N111-Y113 PolarHBondContact O-N 3.49Å; Y113-N115 VanDerWaalsContact C-N 3.35Å; Y113-N115 PolarHBondContact O-N 3.29Å; Y113-E116 PolarHBondContact O-N 3.21Å; Y113-M117 HydrophobicContact CD1-CG 4.44Å; Y113-M117 HydrophobicContact CD2-CE 4.23Å; Y113-M117 HydrophobicContact CD2-CG 4.14Å; Y113-M117 HydrophobicContact CE1-CG 4.13Å; Y113-M117 HydrophobicContact CE2-CE 3.78Å; Y113-M117 HydrophobicContact CE2-CG 3.78Å; Y113-M117 HydrophobicContact CE2-SD 3.86Å; Y113-M117 HydrophobicContact CG-CG 4.46Å; Y113-M117 WeakPolarHBondContact O-CG 3.37Å; Y113-M117 PolarHBondContact O-N 2.93Å; Y113-L135 HydrophobicContact CD1-CD1 4.07Å; Y113-L135 HydrophobicContact CD1-CD2 3.84Å; Y113-L135 HydrophobicContact CD1-CG 4.16Å; Y113-L135 HydrophobicContact CE1-CD1 4.01Å; Y113-L135 HydrophobicContact CE1-CD2 3.45Å; Y113-L135 VanDerWaalsContact CE1-CD2 3.45Å; Y113-L135 HydrophobicContact CE1-CG 3.64Å
114	K	95.7	Very high	95.6	Very high	102 Å²	102	72.1 Å²	72.1	44%	0.443	34%	0.335	S	S	.	.	H	α-helix	trans	-57.6	-46.2	177.6	-176	-178.1	175.3	-174.3	0	112.1	N111 L112 M117 Q118 L135	N111-K114 PolarHBondContact O-N 3.26Å; L112-K114 PolarHBondContact O-N 3.4Å; K114-M117 PolarHBondContact O-N 2.92Å; K114-Q118 WeakPolarHBondContact O-CB 3.27Å; K114-Q118 VanDerWaalsContact O-CG 3.3Å; K114-Q118 WeakPolarHBondContact O-CG 3.44Å; K114-Q118 PolarHBondContact O-N 3.46Å; K114-L135 HydrophobicContact CB-CD1 4.34Å; K114-L135 HydrophobicContact CG-CD1 4.43Å
115	N	96.6	Very high	95.6	Very high	69 Å²	69	73.2 Å²	73.2	37%	0.369	34%	0.338	S	S	.	.	H	α-helix	trans	-66	-39.7	180	-68.1	-14.1	0	0	0	111.4	N111 L112 Y113 Q118 R119	N111-N115 VanDerWaalsContact O-CB 3.29Å; N111-N115 WeakPolarHBondContact O-CB 3.42Å; N111-N115 PolarHBondContact O-N 2.94Å; N111-N115 PolarHBondContact O-ND2 3.32Å; N111-N115 PolarHBondContact O-OD1 3.45Å; L112-N115 PolarHBondContact O-N 2.9Å; Y113-N115 VanDerWaalsContact C-N 3.35Å; Y113-N115 PolarHBondContact O-N 3.29Å; N115-Q118 PolarHBondContact O-N 3.25Å; N115-R119 WeakPolarHBondContact O-CG 3.33Å; N115-R119 PolarHBondContact O-N 2.96Å
116	E	96.9	Very high	95.6	Very high	27 Å²	27	80.2 Å²	80.2	13%	0.126	37%	0.371	C	S	.	.	H	α-helix	trans	-65.6	-45.9	176.4	177.6	57.7	-161.3	0	0	111.5	I52 L112 Y113 Q118 R119 R120	I52-E116 HydrophobicContact CD1-CB 4.21Å; I52-E116 HydrophobicContact CD1-CG 4.07Å; I52-E116 HydrophobicContact CG2-CG 4Å; L112-E116 WeakPolarHBondContact O-CB 3.26Å; L112-E116 PolarHBondContact O-N 2.8Å; Y113-E116 PolarHBondContact O-N 3.21Å; E116-Q118 VanDerWaalsContact C-N 3.31Å; E116-Q118 PolarHBondContact O-N 3.28Å; E116-R119 PolarHBondContact O-N 3.21Å; E116-R120 WeakPolarHBondContact O-CG 3.44Å; E116-R120 PolarHBondContact O-N 3.45Å; E116-R120 IonicContact OE1-CZ 3.97Å; E116-R120 IonicContact OE1-NE 3.82Å; E116-R120 PolarHBondContact OE1-NE 2.95Å; E116-R120 IonicContact OE1-NH2 3.51Å; E116-R120 PolarHBondContact OE1-NH2 3.4Å
117	M	95.7	Very high	95.6	Very high	9 Å²	9	83.1 Å²	83.1	4%	0.044	39%	0.386	C	S	.	.	H	α-helix	trans	-61.6	-39	176.1	-67.8	-56.2	99.3	0	0	112.1	Y113 K114 R120 E121 P134 L135	Y113-M117 HydrophobicContact CD1-CG 4.44Å; Y113-M117 HydrophobicContact CD2-CE 4.23Å; Y113-M117 HydrophobicContact CD2-CG 4.14Å; Y113-M117 HydrophobicContact CE1-CG 4.13Å; Y113-M117 HydrophobicContact CE2-CE 3.78Å; Y113-M117 HydrophobicContact CE2-CG 3.78Å; Y113-M117 HydrophobicContact CE2-SD 3.86Å; Y113-M117 HydrophobicContact CG-CG 4.46Å; Y113-M117 WeakPolarHBondContact O-CG 3.37Å; Y113-M117 PolarHBondContact O-N 2.93Å; K114-M117 PolarHBondContact O-N 2.92Å; M117-R120 PolarHBondContact O-N 2.9Å; M117-E121 WeakPolarHBondContact O-CB 3.33Å; M117-E121 PolarHBondContact O-N 3.31Å; M117-P134 HydrophobicContact SD-CG 4.44Å; M117-L135 HydrophobicContact CB-CD1 3.77Å; M117-L135 HydrophobicContact CG-CD1 3.76Å; M117-L135 HydrophobicContact CG-CG 4.23Å
118	Q	95.1	Very high	95.5	Very high	89 Å²	89	82 Å²	82	42%	0.416	39%	0.388	S	S	.	.	H	α-helix	trans	-63.6	-41.6	174.3	-77	178.2	-19.7	0	0	112.3	K114 N115 E116 E121 L122	K114-Q118 WeakPolarHBondContact O-CB 3.27Å; K114-Q118 VanDerWaalsContact O-CG 3.3Å; K114-Q118 WeakPolarHBondContact O-CG 3.44Å; K114-Q118 PolarHBondContact O-N 3.46Å; N115-Q118 PolarHBondContact O-N 3.25Å; E116-Q118 VanDerWaalsContact C-N 3.31Å; E116-Q118 PolarHBondContact O-N 3.28Å; Q118-E121 PolarHBondContact O-N 3.12Å; Q118-L122 WeakPolarHBondContact O-CG 3.21Å; Q118-L122 PolarHBondContact O-N 3.17Å
119	R	96.2	Very high	95.5	Very high	170 Å²	170	82.8 Å²	82.8	64%	0.642	39%	0.392	S	S	*	.	H	α-helix	trans	-63.5	-43.5	176.3	-74.8	174	-176.8	172.7	-0.4	112.1	N115 E116 L122 F123	N115-R119 WeakPolarHBondContact O-CG 3.33Å; N115-R119 PolarHBondContact O-N 2.96Å; E116-R119 PolarHBondContact O-N 3.21Å; R119-L122 PolarHBondContact O-N 3.41Å; R119-F123 PolarHBondContact O-N 3.22Å; R119-F123 VanDerWaalsContact O-N 3.1Å
120	R	95.7	Very high	95.2	Very high	65 Å²	65	88.1 Å²	88.1	25%	0.245	43%	0.427	C	S	.	.	H	α-helix	trans	-59.8	-50.2	174.4	-68.7	-178.9	-172.2	-158.2	-3.5	110.1	D53 E116 M117 L122 F123 Y124 F131	D53-R120 VanDerWaalsContact CG-NH2 3.33Å; D53-R120 IonicContact OD1-NH2 2.83Å; D53-R120 PolarHBondContact OD1-NH2 3.23Å; D53-R120 IonicContact OD2-CZ 3.5Å; D53-R120 IonicContact OD2-NH1 2.64Å; D53-R120 IonicContact OD2-NH2 3.27Å; D53-R120 PolarHBondContact OD2-NH2 3.32Å; E116-R120 WeakPolarHBondContact O-CG 3.44Å; E116-R120 PolarHBondContact O-N 3.45Å; E116-R120 IonicContact OE1-CZ 3.97Å; E116-R120 IonicContact OE1-NE 3.82Å; E116-R120 PolarHBondContact OE1-NE 2.95Å; E116-R120 IonicContact OE1-NH2 3.51Å; E116-R120 PolarHBondContact OE1-NH2 3.4Å; M117-R120 PolarHBondContact O-N 2.9Å; R120-L122 PolarHBondContact O-N 3.03Å; R120-F123 WeakPolarHBondContact O-CB 3.32Å; R120-F123 PolarHBondContact O-N 2.96Å; R120-F123 VanDerWaalsContact O-N 3.15Å; R120-Y124 VanDerWaalsContact O-CD2 3.27Å; R120-Y124 WeakPolarHBondContact O-CD2 3.23Å; R120-Y124 PolarHBondContact O-N 2.82Å; R120-F131 HydrophobicContact CB-CE1 4.19Å; R120-F131 HydrophobicContact CB-CE2 3.96Å; R120-F131 HydrophobicContact CB-CZ 3.64Å
121	E	93.9	Very high	94.9	Very high	28 Å²	28	87 Å²	87	13%	0.131	41%	0.413	C	S	.	.	H	α-helix	trans	-56.7	-46.5	-179.8	-179.4	163.3	-157.5	0	0	113	M117 Q118 F123 Y124 Q125 F131 N133 K136	M117-E121 WeakPolarHBondContact O-CB 3.33Å; M117-E121 PolarHBondContact O-N 3.31Å; Q118-E121 PolarHBondContact O-N 3.12Å; E121-F123 PolarHBondContact O-N 2.88Å; E121-Y124 PolarHBondContact O-N 2.95Å; E121-Q125 HydrophobicContact CG-CG 4.48Å; E121-Q125 VanDerWaalsContact O-CG 3.29Å; E121-Q125 WeakPolarHBondContact O-CG 3.33Å; E121-Q125 PolarHBondContact O-N 3.27Å; E121-Q125 PolarHBondContact OE1-NE2 2.94Å; E121-F131 HydrophobicContact CB-CD1 3.81Å; E121-F131 HydrophobicContact CB-CE1 3.79Å; E121-F131 HydrophobicContact CG-CD1 4.21Å; E121-N133 PolarHBondContact OE2-ND2 3.33Å; E121-K136 WeakPolarHBondContact OE1-CE 3.22Å; E121-K136 IonicContact OE1-NZ 2.66Å; E121-K136 PolarHBondContact OE1-NZ 2.85Å; E121-K136 WeakPolarHBondContact OE2-CE 3.36Å; E121-K136 IonicContact OE2-NZ 2.81Å; E121-K136 PolarHBondContact OE2-NZ 2.83Å
122	L	95.9	Very high	94.4	Very high	97 Å²	97	89.2 Å²	89.2	51%	0.508	42%	0.42	S	S	.	.	H	α-helix	trans	-59.7	-45.6	176.6	-71.8	169.4	0	0	0	112	Q118 R119 R120 Y124 Q125 E126	Q118-L122 WeakPolarHBondContact O-CG 3.21Å; Q118-L122 PolarHBondContact O-N 3.17Å; R119-L122 PolarHBondContact O-N 3.41Å; R120-L122 PolarHBondContact O-N 3.03Å; L122-Y124 PolarHBondContact O-N 3.48Å; L122-Q125 PolarHBondContact O-N 3.29Å; L122-E126 WeakPolarHBondContact O-CG 3.49Å; L122-E126 PolarHBondContact O-N 2.82Å
123	F	96.5	Very high	93.8	Very high	109 Å²	109	88.7 Å²	88.7	48%	0.478	42%	0.418	S	S	.	.	H	α-helix	trans	-58.1	-46.5	178.5	175.7	-92.9	0	0	0	112.1	R119 R120 E121 E126 H127	R119-F123 PolarHBondContact O-N 3.22Å; R119-F123 VanDerWaalsContact O-N 3.1Å; R120-F123 WeakPolarHBondContact O-CB 3.32Å; R120-F123 PolarHBondContact O-N 2.96Å; R120-F123 VanDerWaalsContact O-N 3.15Å; E121-F123 PolarHBondContact O-N 2.88Å; F123-E126 PolarHBondContact O-N 2.95Å; F123-H127 AromaticContact CD2-CE1 3.71Å; F123-H127 AromaticContact CD2-ND1 3.91Å; F123-H127 AromaticContact CE2-CE1 3.36Å; F123-H127 WeakPolarHBondContact CE2-CE1 3.47Å; F123-H127 AromaticContact CE2-ND1 3.8Å; F123-H127 AromaticContact CE2-NE2 3.92Å; F123-H127 AromaticContact CZ-CE1 3.8Å; F123-H127 AromaticContact CZ-ND1 3.96Å; F123-H127 PolarHBondContact O-N 3.34Å; F123-H127 PolarHBondContact O-ND1 3.49Å
124	Y	95.4	Very high	93.1	Very high	85 Å²	85	87.7 Å²	87.7	33%	0.333	42%	0.42	S	S	.	.	H	α-helix	trans	-68.6	-37.4	-179.9	-83.6	-101.4	0	0	0	112.5	R120 E121 L122 H127 N128 L129 P130 F131	R120-Y124 VanDerWaalsContact O-CD2 3.27Å; R120-Y124 WeakPolarHBondContact O-CD2 3.23Å; R120-Y124 PolarHBondContact O-N 2.82Å; E121-Y124 PolarHBondContact O-N 2.95Å; L122-Y124 PolarHBondContact O-N 3.48Å; Y124-H127 CarbonylContact O-C 3.59Å; Y124-H127 PolarHBondContact O-N 2.85Å; Y124-N128 PolarHBondContact O-N 3.28Å; Y124-N128 VanDerWaalsContact O-N 3.12Å; Y124-L129 HydrophobicContact CD1-CB 3.55Å; Y124-L129 HydrophobicContact CD1-CD1 4.46Å; Y124-L129 HydrophobicContact CE1-CB 4.24Å; Y124-L129 HydrophobicContact CG-CB 4.41Å; Y124-L129 PolarHBondContact O-N 3.44Å; Y124-P130 WeakPolarHBondContact CD1-O 3.48Å; Y124-F131 VanDerWaalsContact CB-CB 3.45Å; Y124-F131 HydrophobicContact CD1-CB 3.75Å; Y124-F131 HydrophobicContact CD1-CD2 4.37Å; Y124-F131 HydrophobicContact CD1-CG 4.47Å; Y124-F131 HydrophobicContact CD2-CB 4.04Å; Y124-F131 AromaticContact CD2-CD2 3.72Å; Y124-F131 HydrophobicContact CD2-CD2 3.72Å; Y124-F131 HydrophobicContact CD2-CE2 4.44Å; Y124-F131 AromaticContact CD2-CG 3.99Å; Y124-F131 HydrophobicContact CD2-CG 3.99Å; Y124-F131 HydrophobicContact CE1-CB 4.47Å; Y124-F131 HydrophobicContact CE1-CD2 4.41Å; Y124-F131 AromaticContact CE2-CD2 3.75Å; Y124-F131 HydrophobicContact CE2-CD2 3.75Å; Y124-F131 HydrophobicContact CE2-CE2 4.27Å; Y124-F131 HydrophobicContact CE2-CG 4.47Å; Y124-F131 HydrophobicContact CG-CB 3.51Å; Y124-F131 HydrophobicContact CG-CD2 4.05Å; Y124-F131 AromaticContact CG-CG 3.99Å; Y124-F131 HydrophobicContact CG-CG 3.99Å
125	Q	93.9	Very high	92.4	Very high	110 Å²	110	84.9 Å²	84.9	51%	0.514	41%	0.409	S	S	.	.	H	α-helix	trans	-60.9	-46.9	174.3	-74.7	175.7	7.9	0	0	111.6	E121 L122 H127 N128	E121-Q125 HydrophobicContact CG-CG 4.48Å; E121-Q125 VanDerWaalsContact O-CG 3.29Å; E121-Q125 WeakPolarHBondContact O-CG 3.33Å; E121-Q125 PolarHBondContact O-N 3.27Å; E121-Q125 PolarHBondContact OE1-NE2 2.94Å; L122-Q125 PolarHBondContact O-N 3.29Å; Q125-H127 PolarHBondContact O-N 3.3Å; Q125-N128 PolarHBondContact O-N 3.03Å; Q125-N128 VanDerWaalsContact O-N 3.16Å
126	E	96.9	Very high	91.5	Very high	147 Å²	147	87.1 Å²	87.1	69%	0.687	42%	0.416	S	S	*	.	H	α-helix	trans	-61.7	-28.5	178.3	-72.8	174.5	177.9	0	0	112.9	L122 F123	L122-E126 WeakPolarHBondContact O-CG 3.49Å; L122-E126 PolarHBondContact O-N 2.82Å; F123-E126 PolarHBondContact O-N 2.95Å
127	H	95.9	Very high	90.3	Very high	100 Å²	100	87.8 Å²	87.8	46%	0.463	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	6.5	180	-67	75.8	0	0	0	113.8	F123 Y124 Q125 L129	F123-H127 AromaticContact CD2-CE1 3.71Å; F123-H127 AromaticContact CD2-ND1 3.91Å; F123-H127 AromaticContact CE2-CE1 3.36Å; F123-H127 WeakPolarHBondContact CE2-CE1 3.47Å; F123-H127 AromaticContact CE2-ND1 3.8Å; F123-H127 AromaticContact CE2-NE2 3.92Å; F123-H127 AromaticContact CZ-CE1 3.8Å; F123-H127 AromaticContact CZ-ND1 3.96Å; F123-H127 PolarHBondContact O-N 3.34Å; F123-H127 PolarHBondContact O-ND1 3.49Å; Y124-H127 CarbonylContact O-C 3.59Å; Y124-H127 PolarHBondContact O-N 2.85Å; Q125-H127 PolarHBondContact O-N 3.3Å; H127-L129 HydrophobicContact CB-CD1 4.1Å; H127-L129 HydrophobicContact CB-CG 4.17Å; H127-L129 PolarHBondContact O-N 3.29Å
128	N	93.9	Very high	88.6	Confident	153 Å²	153	92.1 Å²	92.1	82%	0.818	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	33.9	-175.6	-58.2	-66.1	0	0	0	113.6	Y124 Q125	Y124-N128 PolarHBondContact O-N 3.28Å; Y124-N128 VanDerWaalsContact O-N 3.12Å; Q125-N128 PolarHBondContact O-N 3.03Å; Q125-N128 VanDerWaalsContact O-N 3.16Å
129	L	93.1	Very high	86.7	Confident	94 Å²	94	97.4 Å²	97.4	49%	0.492	46%	0.458	S	S	.	.			trans	-101.4	143.6	178.2	-69.4	174.1	0	0	0	110.5	Y124 H127 F131	Y124-L129 HydrophobicContact CD1-CB 3.55Å; Y124-L129 HydrophobicContact CD1-CD1 4.46Å; Y124-L129 HydrophobicContact CE1-CB 4.24Å; Y124-L129 HydrophobicContact CG-CB 4.41Å; Y124-L129 PolarHBondContact O-N 3.44Å; H127-L129 HydrophobicContact CB-CD1 4.1Å; H127-L129 HydrophobicContact CB-CG 4.17Å; H127-L129 PolarHBondContact O-N 3.29Å; L129-F131 PolarHBondContact O-N 2.96Å
130	P	89.3	Confident	84.6	Confident	119 Å²	119	97.8 Å²	97.8	77%	0.773	47%	0.465	S	S	*	.			trans	-66.4	130.6	175.6	27.7	-33.2	0	0	0	110.2	Y124	Y124-P130 WeakPolarHBondContact CD1-O 3.48Å
131	F	88.6	Confident	82.4	Confident	58 Å²	58	99 Å²	99	25%	0.254	48%	0.476	S	S	.	.			trans	-135.5	121.7	172.3	179.3	-108.5	0	0	0	110.1	R120 E121 Y124 L129 N133	R120-F131 HydrophobicContact CB-CE1 4.19Å; R120-F131 HydrophobicContact CB-CE2 3.96Å; R120-F131 HydrophobicContact CB-CZ 3.64Å; E121-F131 HydrophobicContact CB-CD1 3.81Å; E121-F131 HydrophobicContact CB-CE1 3.79Å; E121-F131 HydrophobicContact CG-CD1 4.21Å; Y124-F131 VanDerWaalsContact CB-CB 3.45Å; Y124-F131 HydrophobicContact CD1-CB 3.75Å; Y124-F131 HydrophobicContact CD1-CD2 4.37Å; Y124-F131 HydrophobicContact CD1-CG 4.47Å; Y124-F131 HydrophobicContact CD2-CB 4.04Å; Y124-F131 AromaticContact CD2-CD2 3.72Å; Y124-F131 HydrophobicContact CD2-CD2 3.72Å; Y124-F131 HydrophobicContact CD2-CE2 4.44Å; Y124-F131 AromaticContact CD2-CG 3.99Å; Y124-F131 HydrophobicContact CD2-CG 3.99Å; Y124-F131 HydrophobicContact CE1-CB 4.47Å; Y124-F131 HydrophobicContact CE1-CD2 4.41Å; Y124-F131 AromaticContact CE2-CD2 3.75Å; Y124-F131 HydrophobicContact CE2-CD2 3.75Å; Y124-F131 HydrophobicContact CE2-CE2 4.27Å; Y124-F131 HydrophobicContact CE2-CG 4.47Å; Y124-F131 HydrophobicContact CG-CB 3.51Å; Y124-F131 HydrophobicContact CG-CD2 4.05Å; Y124-F131 AromaticContact CG-CG 3.99Å; Y124-F131 HydrophobicContact CG-CG 3.99Å; L129-F131 PolarHBondContact O-N 2.96Å; F131-N133 HydrophobicContact CD1-CB 4.13Å; F131-N133 HydrophobicContact CE1-CB 3.69Å
132	E	85.1	Confident	80.2	Confident	151 Å²	151	106.4 Å²	106.4	71%	0.706	51%	0.51	S	S	*	.			trans	-95.7	104.8	174.6	-164.8	163.9	-164.5	0	0	109	P134	E132-P134 VanDerWaalsContact O-CD 3.27Å; E132-P134 WeakPolarHBondContact O-CD 3.23Å
133	N	83	Confident	77.6	Confident	11 Å²	11	106.7 Å²	106.7	6%	0.059	52%	0.521	C	S	.	.			trans	-77.1	113.9	179.9	-173.4	-17.9	0	0	0	109.7	E121 F131 L135 K136 T137	E121-N133 PolarHBondContact OE2-ND2 3.33Å; F131-N133 HydrophobicContact CD1-CB 4.13Å; F131-N133 HydrophobicContact CE1-CB 3.69Å; N133-L135 PolarHBondContact O-N 2.93Å; N133-L135 VanDerWaalsContact O-N 3.12Å; N133-L135 WeakPolarHBondContact OD1-CB 3.49Å; N133-L135 PolarHBondContact OD1-N 3.45Å; N133-L135 VanDerWaalsContact OD1-N 3.15Å; N133-K136 HydrophobicContact CB-CB 4.35Å; N133-K136 HydrophobicContact CB-CD 4.22Å; N133-K136 HydrophobicContact CB-CG 4.15Å; N133-K136 PolarHBondContact O-N 3.26Å; N133-T137 PolarHBondContact O-N 2.73Å; N133-T137 PolarHBondContact O-OG1 3.24Å
134	P	82.2	Confident	74.7	Confident	49 Å²	49	105.7 Å²	105.7	32%	0.318	53%	0.527	S	S	.	.	H	α-helix	trans	-57	-34.1	-177.2	-23.6	33.9	0	0	0	112.8	M117 E132 K136 T137 E138	M117-P134 HydrophobicContact SD-CG 4.44Å; E132-P134 VanDerWaalsContact O-CD 3.27Å; E132-P134 WeakPolarHBondContact O-CD 3.23Å; P134-K136 PolarHBondContact O-N 2.87Å; P134-T137 PolarHBondContact O-N 3.38Å; P134-E138 WeakPolarHBondContact O-CG 3.44Å; P134-E138 PolarHBondContact O-N 3.46Å
135	L	80.5	Confident	71.9	Confident	42 Å²	42	109 Å²	109	22%	0.22	55%	0.55	C	S	.	*	H	α-helix	trans	-66.8	-18.9	178.2	-69.9	173.1	0	0	0	114.1	Y113 K114 M117 N133	Y113-L135 HydrophobicContact CD1-CD1 4.07Å; Y113-L135 HydrophobicContact CD1-CD2 3.84Å; Y113-L135 HydrophobicContact CD1-CG 4.16Å; Y113-L135 HydrophobicContact CE1-CD1 4.01Å; Y113-L135 HydrophobicContact CE1-CD2 3.45Å; Y113-L135 VanDerWaalsContact CE1-CD2 3.45Å; Y113-L135 HydrophobicContact CE1-CG 3.64Å; K114-L135 HydrophobicContact CB-CD1 4.34Å; K114-L135 HydrophobicContact CG-CD1 4.43Å; M117-L135 HydrophobicContact CB-CD1 3.77Å; M117-L135 HydrophobicContact CG-CD1 3.76Å; M117-L135 HydrophobicContact CG-CG 4.23Å; N133-L135 PolarHBondContact O-N 2.93Å; N133-L135 VanDerWaalsContact O-N 3.12Å; N133-L135 WeakPolarHBondContact OD1-CB 3.49Å; N133-L135 PolarHBondContact OD1-N 3.45Å; N133-L135 VanDerWaalsContact OD1-N 3.15Å
136	K	78.3	Confident	69	Low	116 Å²	116	111 Å²	111	50%	0.504	57%	0.565	S	S	.	*	H	α-helix	trans	-91.7	-33.6	174	-67.4	-174.3	177.2	-177.2	0	111.2	E121 N133 P134	E121-K136 WeakPolarHBondContact OE1-CE 3.22Å; E121-K136 IonicContact OE1-NZ 2.66Å; E121-K136 PolarHBondContact OE1-NZ 2.85Å; E121-K136 WeakPolarHBondContact OE2-CE 3.36Å; E121-K136 IonicContact OE2-NZ 2.81Å; E121-K136 PolarHBondContact OE2-NZ 2.83Å; N133-K136 HydrophobicContact CB-CB 4.35Å; N133-K136 HydrophobicContact CB-CD 4.22Å; N133-K136 HydrophobicContact CB-CG 4.15Å; N133-K136 PolarHBondContact O-N 3.26Å; P134-K136 PolarHBondContact O-N 2.87Å
137	T	71.4	Confident	66.5	Low	42 Å²	42	111.9 Å²	111.9	26%	0.258	57%	0.567	S	S	.	*	H	α-helix	trans	-71.9	-40.9	178.5	-51.5	0	0	0	0	111.8	N133 P134 R139 K140 N141	N133-T137 PolarHBondContact O-N 2.73Å; N133-T137 PolarHBondContact O-OG1 3.24Å; P134-T137 PolarHBondContact O-N 3.38Å; T137-R139 PolarHBondContact O-N 3.1Å; T137-K140 PolarHBondContact O-N 3.17Å; T137-N141 PolarHBondContact O-N 3.07Å
138	E	59	Low	64	Low	99 Å²	99	115.8 Å²	115.8	46%	0.463	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.5	-34.3	176.5	-75.2	176	179.9	0	0	112.6	P134 K140 N141	P134-E138 WeakPolarHBondContact O-CG 3.44Å; P134-E138 PolarHBondContact O-N 3.46Å; E138-K140 PolarHBondContact O-N 3.07Å; E138-N141 PolarHBondContact O-N 3.22Å
139	R	56.7	Low	61.5	Low	200 Å²	200	117.9 Å²	117.9	76%	0.755	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-17	176.1	-63	-174.9	-166.3	-156.1	-2.2	114.3	T137	T137-R139 PolarHBondContact O-N 3.1Å
140	K	52.1	Low	59.2	Low	179 Å²	179	116.5 Å²	116.5	78%	0.778	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-21.5	175.9	-76.3	-174.5	175	-178.1	0	112.5	T137 E138	T137-K140 PolarHBondContact O-N 3.17Å; E138-K140 PolarHBondContact O-N 3.07Å
141	N	48.8	Very low	57.6	Low	90 Å²	90	119.3 Å²	119.3	48%	0.481	59%	0.588	S	S	.	*			trans	-116.1	33.6	-168.7	-73.3	-6.4	0	0	0	113.7	T137 E138 S143 S144	T137-N141 PolarHBondContact O-N 3.07Å; E138-N141 PolarHBondContact O-N 3.22Å; N141-S143 PolarHBondContact O-N 3.04Å; N141-S144 PolarHBondContact O-N 2.89Å
142	E	48.4	Very low	56.5	Low	183 Å²	183	119.7 Å²	119.7	86%	0.855	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	16.5	170.7	-68	-174.9	166.5	0	0	114.1
143	S	41.5	Very low	55.5	Low	104 Å²	104	116.5 Å²	116.5	73%	0.727	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.7	10.2	179.8	53.6	0	0	0	0	115	N141	N141-S143 PolarHBondContact O-N 3.04Å
144	S	35.6	Very low	55	Low	87 Å²	87	121.3 Å²	121.3	61%	0.608	60%	0.603	S	S	*	*			trans	-154.4	87.9	174.3	-66.9	0	0	0	0	112.7	N141 N146	N141-S144 PolarHBondContact O-N 2.89Å; S144-N146 PolarHBondContact O-N 3.48Å; S144-N146 VanDerWaalsContact O-N 3.09Å
145	D	36.5	Very low	54.2	Low	154 Å²	154	121.8 Å²	121.8	82%	0.824	61%	0.611	S	S	*	*			trans	-70.6	95.4	163.7	-89.8	-33.6	0	0	0	109.4
146	N	33	Very low	53.9	Low	153 Å²	153	128.4 Å²	128.4	82%	0.818	64%	0.638	S	S	*	*			trans	-129.3	70.3	159.6	-97.1	-37.6	0	0	0	107.5	S144 Q148	S144-N146 PolarHBondContact O-N 3.48Å; S144-N146 VanDerWaalsContact O-N 3.09Å; N146-Q148 PolarHBondContact O-N 3.39Å
147	F	43.7	Very low	54.1	Low	166 Å²	166	125 Å²	125	73%	0.728	63%	0.625	S	S	*	*			trans	-66.5	114.1	162.1	-100.7	-92.4	0	0	0	107.4	E149	F147-E149 PolarHBondContact O-N 2.99Å
148	Q	43.2	Very low	54.6	Low	181 Å²	181	128.4 Å²	128.4	85%	0.846	64%	0.638	S	S	*	*			trans	-50.7	114.5	173	-81.7	173.6	-46.2	0	0	109.7	N146 S150	N146-Q148 PolarHBondContact O-N 3.39Å; Q148-S150 PolarHBondContact O-N 3.26Å
149	E	41.2	Very low	55.9	Low	197 Å²	197	128.3 Å²	128.3	92%	0.921	64%	0.638	S	S	*	*			trans	-57.4	75.8	169.2	-73.6	179.2	146.8	0	0	110.1	F147	F147-E149 PolarHBondContact O-N 2.99Å
150	S	45.4	Very low	57.3	Low	66 Å²	66	119.5 Å²	119.5	46%	0.462	61%	0.606	S	S	.	*	S	Bend	trans	-97.7	87.7	169	68.5	0	0	0	0	107.9	R99 Q148 D152	R99-S150 PolarHBondContact NH1-O 2.88Å; R99-S150 PolarHBondContact NH1-OG 3.07Å; Q148-S150 PolarHBondContact O-N 3.26Å; S150-D152 PolarHBondContact O-N 3.04Å
151	K	55.1	Low	58.8	Low	178 Å²	178	111.8 Å²	111.8	77%	0.774	58%	0.575	S	S	*	*			trans	40.8	73.6	176.4	-101.8	-178.2	173	178.9	0	110.9	N153	K151-N153 PolarHBondContact O-N 2.98Å; K151-N153 VanDerWaalsContact O-N 3.11Å
152	D	65.2	Low	60.6	Low	66 Å²	66	107.5 Å²	107.5	35%	0.353	55%	0.552	S	S	.	*			trans	-56.8	123.9	161	85	-54.3	0	0	0	105.1	S150 H154 A155 F156	S150-D152 PolarHBondContact O-N 3.04Å; D152-H154 PolarHBondContact O-N 3.29Å; D152-A155 HydrophobicContact CB-CB 4.33Å; D152-A155 PolarHBondContact OD2-N 2.83Å; D152-A155 VanDerWaalsContact OD2-N 3.08Å; D152-F156 HydrophobicContact CB-CD2 3.56Å; D152-F156 HydrophobicContact CB-CE2 3.83Å; D152-F156 WeakPolarHBondContact OD2-CD2 3.29Å; D152-F156 PolarHBondContact OD2-N 3.22Å
153	N	65.3	Low	62.3	Low	84 Å²	84	100.7 Å²	100.7	45%	0.449	52%	0.52	S	S	.	.			trans	-76.1	57.4	-176.5	-68.6	-53.7	0	0	0	108.9	K151 A155	K151-N153 PolarHBondContact O-N 2.98Å; K151-N153 VanDerWaalsContact O-N 3.11Å; N153-A155 PolarHBondContact O-N 2.99Å
154	H	72.5	Confident	64.3	Low	111 Å²	111	96.1 Å²	96.1	51%	0.514	49%	0.487	S	S	.	.	S	Bend	trans	57	31.1	-168.2	-56.7	-74.3	0	0	0	113	D152 F156 D157 Q159	D152-H154 PolarHBondContact O-N 3.29Å; H154-F156 VanDerWaalsContact C-N 3.31Å; H154-D157 HydrophobicContact CB-CB 4.16Å; H154-D157 VanDerWaalsContact CB-OD2 3.28Å; H154-D157 WeakPolarHBondContact CB-OD2 3.4Å; H154-D157 IonicContact CE1-OD2 2.68Å; H154-D157 IonicContact CG-OD2 2.59Å; H154-D157 IonicContact ND1-OD2 3.25Å; H154-D157 PolarHBondContact ND1-OD2 3.29Å; H154-D157 PolarHBondContact O-N 2.83Å; H154-Q159 PolarHBondContact O-NE2 3.39Å; H154-Q159 VanDerWaalsContact O-NE2 3.12Å
155	A	65.1	Low	66.2	Low	59 Å²	59	96.8 Å²	96.8	49%	0.488	48%	0.479	S	S	.	.	S	Bend	trans	-73.2	-29.1	-174.7	0	0	0	0	0	111.6	D152 N153	D152-A155 HydrophobicContact CB-CB 4.33Å; D152-A155 PolarHBondContact OD2-N 2.83Å; D152-A155 VanDerWaalsContact OD2-N 3.08Å; N153-A155 PolarHBondContact O-N 2.99Å
156	F	73.7	Confident	67.8	Low	182 Å²	182	90.4 Å²	90.4	80%	0.798	45%	0.446	S	S	*	.	S	Bend	trans	-98.3	-2.7	177	-58.8	-70	0	0	0	113.4	D152 H154	D152-F156 HydrophobicContact CB-CD2 3.56Å; D152-F156 HydrophobicContact CB-CE2 3.83Å; D152-F156 WeakPolarHBondContact OD2-CD2 3.29Å; D152-F156 PolarHBondContact OD2-N 3.22Å; H154-F156 VanDerWaalsContact C-N 3.31Å
157	D	81.6	Confident	69.2	Low	43 Å²	43	86.1 Å²	86.1	23%	0.23	42%	0.423	C	S	.	.	S	Bend	trans	-59.9	145.4	173.6	-80.9	-3.8	0	0	0	110.3	H154 Q159 S182	H154-D157 HydrophobicContact CB-CB 4.16Å; H154-D157 VanDerWaalsContact CB-OD2 3.28Å; H154-D157 WeakPolarHBondContact CB-OD2 3.4Å; H154-D157 IonicContact CE1-OD2 2.68Å; H154-D157 IonicContact CG-OD2 2.59Å; H154-D157 IonicContact ND1-OD2 3.25Å; H154-D157 PolarHBondContact ND1-OD2 3.29Å; H154-D157 PolarHBondContact O-N 2.83Å; D157-Q159 WeakPolarHBondContact O-CG 2.99Å; D157-Q159 PolarHBondContact O-N 3.37Å; D157-Q159 VanDerWaalsContact O-N 3.07Å; D157-Q159 PolarHBondContact O-NE2 2.89Å; D157-S182 VanDerWaalsContact CB-OG 3.28Å; D157-S182 WeakPolarHBondContact CB-OG 3.49Å; D157-S182 WeakPolarHBondContact OD2-CB 3.48Å; D157-S182 PolarHBondContact OD2-OG 3.27Å
158	E	83.2	Confident	70.2	Confident	114 Å²	114	82.7 Å²	82.7	53%	0.533	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-51.4	116.7	166.3	175.3	-175.7	-170.7	0	0	108.8	S183 K227	E158-S183 WeakPolarHBondContact O-CB 2.95Å; E158-S183 PolarHBondContact O-N 3.43Å; E158-S183 PolarHBondContact O-OG 3.24Å; E158-K227 IonicContact OE2-NZ 2.75Å; E158-K227 PolarHBondContact OE2-NZ 3.44Å
159	Q	86.4	Confident	70.6	Confident	98 Å²	98	81.1 Å²	81.1	46%	0.458	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	143.6	-177.5	-59.1	-62.2	-51.2	0	0	110.9	H154 D157 C181	H154-Q159 PolarHBondContact O-NE2 3.39Å; H154-Q159 VanDerWaalsContact O-NE2 3.12Å; D157-Q159 WeakPolarHBondContact O-CG 2.99Å; D157-Q159 PolarHBondContact O-N 3.37Å; D157-Q159 VanDerWaalsContact O-N 3.07Å; D157-Q159 PolarHBondContact O-NE2 2.89Å; Q159-C181 WeakPolarHBondContact CA-O 3.2Å; Q159-C181 PolarHBondContact OE1-O 3.06Å
160	V	85.3	Confident	71.1	Confident	14 Å²	14	79.6 Å²	79.6	9%	0.085	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134.8	175	-177.1	0	0	0	0	108.9	I162 C180 C181 L226 Q253	V160-I162 HydrophobicContact CG1-CG1 4.35Å; V160-C180 WeakPolarHBondContact O-CA 3.47Å; V160-C181 PolarHBondContact N-O 3.39Å; V160-C181 PolarHBondContact O-N 2.82Å; V160-C181 VanDerWaalsContact O-N 3.14Å; V160-L226 HydrophobicContact CB-CD1 4.37Å; V160-L226 HydrophobicContact CG2-CB 4.44Å; V160-Q253 HydrophobicContact CG1-CG 4.38Å
161	S	84.4	Confident	71.4	Confident	18 Å²	18	79.7 Å²	79.7	13%	0.126	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	121.2	172	-62.6	0	0	0	0	110	C180 Q253	S161-C180 PolarHBondContact OG-SG 3.16Å; S161-Q253 PolarHBondContact O-N 2.86Å
162	I	85.7	Confident	71.6	Confident	0 Å²	0	80.5 Å²	80.5	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	139.4	-180	-66	162.5	0	0	0	108.7	V160 F164 Y178 V179 L190 L226 Q253 F255	V160-I162 HydrophobicContact CG1-CG1 4.35Å; I162-F164 HydrophobicContact CG2-CD1 4.3Å; I162-F164 HydrophobicContact CG2-CD2 4.33Å; I162-F164 HydrophobicContact CG2-CE1 4.01Å; I162-F164 HydrophobicContact CG2-CE2 4.06Å; I162-F164 HydrophobicContact CG2-CG 4.45Å; I162-F164 HydrophobicContact CG2-CZ 3.89Å; I162-Y178 VanDerWaalsContact O-CA 3.31Å; I162-Y178 WeakPolarHBondContact O-CA 3.48Å; I162-V179 HydrophobicContact CD1-CG1 4.31Å; I162-V179 PolarHBondContact N-O 2.8Å; I162-V179 PolarHBondContact O-N 2.96Å; I162-L190 HydrophobicContact CD1-CD1 3.62Å; I162-L190 HydrophobicContact CD1-CD2 3.92Å; I162-L190 HydrophobicContact CD1-CG 4.42Å; I162-L226 HydrophobicContact CD1-CD1 3.48Å; I162-L226 VanDerWaalsContact CD1-CD1 3.48Å; I162-L226 HydrophobicContact CD1-CD2 3.74Å; I162-L226 HydrophobicContact CD1-CG 4.23Å; I162-L226 HydrophobicContact CG1-CD1 4.45Å; I162-L226 HydrophobicContact CG1-CD2 4.47Å; I162-Q253 HydrophobicContact CG1-CB 4.49Å; I162-F255 HydrophobicContact CB-CD2 4.41Å; I162-F255 HydrophobicContact CD1-CD2 4.28Å; I162-F255 HydrophobicContact CD1-CE2 3.88Å; I162-F255 HydrophobicContact CG1-CD2 4.15Å; I162-F255 HydrophobicContact CG1-CE2 3.81Å; I162-F255 HydrophobicContact CG2-CD2 3.41Å; I162-F255 VanDerWaalsContact CG2-CD2 3.41Å; I162-F255 HydrophobicContact CG2-CE2 3.99Å; I162-F255 HydrophobicContact CG2-CG 4.36Å
163	F	84.4	Confident	71.5	Confident	39 Å²	39	78.8 Å²	78.8	17%	0.171	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123.1	165.8	-179.3	-105.4	0	0	0	110	K165 P177 Y178 F252 Q253 F254 F255	F163-K165 HydrophobicContact CE1-CB 4.3Å; F163-P177 CarbonylContact C-O 3.53Å; F163-P177 WeakPolarHBondContact CA-O 3.41Å; F163-P177 HydrophobicContact CD2-CB 4.1Å; F163-P177 HydrophobicContact CD2-CG 4.19Å; F163-P177 WeakPolarHBondContact CD2-O 3.14Å; F163-P177 HydrophobicContact CE2-CB 3.78Å; F163-P177 HydrophobicContact CE2-CG 3.57Å; F163-P177 HydrophobicContact CZ-CB 4.46Å; F163-P177 HydrophobicContact CZ-CG 4.38Å; F163-Y178 HydrophobicContact CB-CD1 3.95Å; F163-Y178 HydrophobicContact CB-CE1 3.88Å; F163-Y178 AromaticContact CD2-CD1 3.39Å; F163-Y178 HydrophobicContact CD2-CD1 3.39Å; F163-Y178 AromaticContact CD2-CD2 3.89Å; F163-Y178 HydrophobicContact CD2-CD2 3.89Å; F163-Y178 AromaticContact CD2-CE1 3.03Å; F163-Y178 HydrophobicContact CD2-CE1 3.03Å; F163-Y178 AromaticContact CD2-CE2 3.56Å; F163-Y178 HydrophobicContact CD2-CE2 3.56Å; F163-Y178 AromaticContact CD2-CG 3.82Å; F163-Y178 HydrophobicContact CD2-CG 3.82Å; F163-Y178 AromaticContact CD2-CZ 3.1Å; F163-Y178 HydrophobicContact CE2-CD1 4.28Å; F163-Y178 HydrophobicContact CE2-CD2 4.1Å; F163-Y178 AromaticContact CE2-CE1 3.68Å; F163-Y178 HydrophobicContact CE2-CE1 3.68Å; F163-Y178 AromaticContact CE2-CE2 3.43Å; F163-Y178 HydrophobicContact CE2-CE2 3.43Å; F163-Y178 VanDerWaalsContact CE2-CE2 3.43Å; F163-Y178 HydrophobicContact CE2-CG 4.48Å; F163-Y178 AromaticContact CE2-CZ 3.18Å; F163-Y178 VanDerWaalsContact CE2-OH 3.24Å; F163-Y178 WeakPolarHBondContact CE2-OH 3.19Å; F163-Y178 HydrophobicContact CG-CD1 4.11Å; F163-Y178 AromaticContact CG-CE1 3.74Å; F163-Y178 HydrophobicContact CG-CE1 3.74Å; F163-F252 HydrophobicContact CB-CD1 4.24Å; F163-Q253 PolarHBondContact N-O 2.96Å; F163-F254 HydrophobicContact CB-CD1 4.46Å; F163-F254 HydrophobicContact CB-CE1 4.46Å; F163-F254 AromaticContact CD1-CD1 3.58Å; F163-F254 HydrophobicContact CD1-CD1 3.58Å; F163-F254 AromaticContact CD1-CE1 3.48Å; F163-F254 HydrophobicContact CD1-CE1 3.48Å; F163-F254 VanDerWaalsContact CD1-CE1 3.48Å; F163-F254 HydrophobicContact CE1-CD1 4.32Å; F163-F254 HydrophobicContact CE1-CE1 4.05Å; F163-F254 HydrophobicContact CG-CD1 4.46Å; F163-F254 HydrophobicContact CG-CE1 4.29Å; F163-F255 PolarHBondContact O-N 2.71Å
164	F	82.9	Confident	71.6	Confident	8 Å²	8	75.6 Å²	75.6	4%	0.035	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	129.3	174.9	-66.6	-69.6	0	0	0	110.5	I162 L174 P177 V179 L190 Y193 L194 I213 F255 I257	I162-F164 HydrophobicContact CG2-CD1 4.3Å; I162-F164 HydrophobicContact CG2-CD2 4.33Å; I162-F164 HydrophobicContact CG2-CE1 4.01Å; I162-F164 HydrophobicContact CG2-CE2 4.06Å; I162-F164 HydrophobicContact CG2-CG 4.45Å; I162-F164 HydrophobicContact CG2-CZ 3.89Å; F164-L174 HydrophobicContact CB-CD1 4.08Å; F164-L174 HydrophobicContact CD2-CD1 4.03Å; F164-L174 HydrophobicContact CG-CD1 4.31Å; F164-P177 PolarHBondContact N-O 3.25Å; F164-V179 HydrophobicContact CE2-CB 4.12Å; F164-V179 HydrophobicContact CE2-CG2 4.29Å; F164-L190 HydrophobicContact CZ-CB 4.36Å; F164-L190 HydrophobicContact CZ-CD1 4.3Å; F164-L190 HydrophobicContact CZ-CD2 4.3Å; F164-Y193 HydrophobicContact CE2-CD1 4.17Å; F164-Y193 HydrophobicContact CE2-CE1 4.03Å; F164-L194 HydrophobicContact CD1-CD1 4.13Å; F164-L194 HydrophobicContact CD1-CD2 4.26Å; F164-L194 HydrophobicContact CD2-CD2 4.09Å; F164-L194 HydrophobicContact CE1-CD1 3.83Å; F164-L194 HydrophobicContact CE1-CD2 4.29Å; F164-L194 HydrophobicContact CE1-CG 4.29Å; F164-L194 HydrophobicContact CE2-CD2 4.11Å; F164-L194 HydrophobicContact CG-CD2 4.16Å; F164-L194 HydrophobicContact CZ-CD1 4.27Å; F164-L194 HydrophobicContact CZ-CD2 4.21Å; F164-L194 HydrophobicContact CZ-CG 4.25Å; F164-I213 HydrophobicContact CE1-CD1 4.45Å; F164-F255 WeakPolarHBondContact CA-O 3.34Å; F164-F255 HydrophobicContact CD1-CB 4.18Å; F164-F255 HydrophobicContact CE1-CB 4.32Å; F164-I257 HydrophobicContact CB-CD1 4.03Å; F164-I257 HydrophobicContact CD1-CD1 4.09Å; F164-I257 HydrophobicContact CD1-CG1 4.15Å; F164-I257 HydrophobicContact CG-CD1 4.25Å
165	K	76	Confident	71.4	Confident	101 Å²	101	77.5 Å²	77.5	44%	0.439	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	139	174.1	-166.7	-179.2	173.8	-175.7	0	110.6	F163 F255 R256 I257	F163-K165 HydrophobicContact CE1-CB 4.3Å; K165-F255 PolarHBondContact N-O 2.8Å; K165-R256 WeakPolarHBondContact O-CA 3.41Å; K165-I257 PolarHBondContact O-N 3.08Å
166	S	71.1	Confident	71.8	Confident	21 Å²	21	81.4 Å²	81.4	15%	0.147	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	151	169.5	-167.4	0	0	0	0	111.5	E168 L173	S166-E168 PolarHBondContact OG-N 2.93Å; S166-E168 PolarHBondContact OG-O 2.89Å; S166-L173 WeakPolarHBondContact OG-CD1 3.24Å
167	D	62.6	Low	72.1	Confident	62 Å²	62	74.4 Å²	74.4	33%	0.332	38%	0.375	S	S	.	.	S	Bend	trans	-81.7	-19.8	162	-91.8	-30.3	0	0	0	113.8	D169 R256	D167-D169 PolarHBondContact O-N 3.41Å; D167-R256 WeakPolarHBondContact OD1-CD 3.44Å; D167-R256 IonicContact OD1-CZ 3.92Å; D167-R256 IonicContact OD1-NE 2.8Å; D167-R256 PolarHBondContact OD1-NE 3.01Å; D167-R256 IonicContact OD1-NH1 3.34Å; D167-R256 IonicContact OD1-NH2 3.94Å; D167-R256 PolarHBondContact OD1-NH2 2.87Å; D167-R256 IonicContact OD2-NE 2.72Å
168	E	63	Low	72.2	Confident	94 Å²	94	77.6 Å²	77.6	44%	0.439	38%	0.384	S	S	.	.	S	Bend	trans	-84.1	107.4	173.4	-63	175.3	-178.9	0	0	108.5	S166 D170 V171	S166-E168 PolarHBondContact OG-N 2.93Å; S166-E168 PolarHBondContact OG-O 2.89Å; E168-D170 PolarHBondContact O-N 3.1Å; E168-V171 HydrophobicContact CB-CB 4.41Å; E168-V171 HydrophobicContact CB-CG2 3.91Å; E168-V171 PolarHBondContact O-N 3.09Å; E168-V171 WeakPolarHBondContact OE2-CG2 3.31Å
169	D	52.8	Low	72.3	Confident	149 Å²	149	73.2 Å²	73.2	80%	0.797	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-15.4	-170.5	-76.6	-42.7	0	0	0	114.6	D167	D167-D169 PolarHBondContact O-N 3.41Å
170	D	51.1	Low	72.3	Confident	165 Å²	165	73 Å²	73	88%	0.882	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.8	4.1	-174.8	-80.9	-36.8	0	0	0	115.8	E168	E168-D170 PolarHBondContact O-N 3.1Å
171	V	52.3	Low	72.4	Confident	68 Å²	68	73.6 Å²	73.6	41%	0.412	38%	0.378	S	S	.	.			trans	-107.4	106.4	-176.6	-164.9	0	0	0	0	110.8	E168 L173	E168-V171 HydrophobicContact CB-CB 4.41Å; E168-V171 HydrophobicContact CB-CG2 3.91Å; E168-V171 PolarHBondContact O-N 3.09Å; E168-V171 WeakPolarHBondContact OE2-CG2 3.31Å; V171-L173 HydrophobicContact CB-CD1 4.46Å; V171-L173 PolarHBondContact O-N 2.81Å
172	K	58.4	Low	72.6	Confident	194 Å²	194	73.3 Å²	73.3	84%	0.843	38%	0.376	S	S	*	.			trans	-60.9	92.5	158.7	-89.3	-173.7	177.3	-179.7	0	108	L174	K172-L174 VanDerWaalsContact C-N 3.3Å
173	L	64.3	Low	72.8	Confident	30 Å²	30	73.4 Å²	73.4	16%	0.157	38%	0.376	C	S	.	.			trans	-66.1	-36.2	176.7	-99.1	107.2	0	0	0	111.6	S166 V171 L198 I257	S166-L173 WeakPolarHBondContact OG-CD1 3.24Å; V171-L173 HydrophobicContact CB-CD1 4.46Å; V171-L173 PolarHBondContact O-N 2.81Å; L173-L198 HydrophobicContact CB-CD2 3.86Å; L173-L198 HydrophobicContact CD2-CD1 3.74Å; L173-L198 HydrophobicContact CD2-CD2 3.64Å; L173-L198 HydrophobicContact CD2-CG 4.36Å; L173-L198 HydrophobicContact CG-CD2 4.09Å; L173-L198 WeakPolarHBondContact O-CD2 3.41Å; L173-I257 HydrophobicContact CD2-CD1 4.23Å; L173-I257 HydrophobicContact CD2-CG2 4.29Å
174	L	66.9	Low	73.1	Confident	17 Å²	17	76 Å²	76	9%	0.089	39%	0.389	C	S	.	.			trans	-134.2	136	-172.6	-61	168.6	0	0	0	109.5	F164 K172 H176 L194 A197 L198	F164-L174 HydrophobicContact CB-CD1 4.08Å; F164-L174 HydrophobicContact CD2-CD1 4.03Å; F164-L174 HydrophobicContact CG-CD1 4.31Å; K172-L174 VanDerWaalsContact C-N 3.3Å; L174-H176 PolarHBondContact O-N 2.95Å; L174-L194 HydrophobicContact CD1-CD2 3.64Å; L174-L194 HydrophobicContact CD2-CD2 4.34Å; L174-A197 HydrophobicContact CD2-CB 3.45Å; L174-A197 VanDerWaalsContact CD2-CB 3.45Å; L174-L198 HydrophobicContact CD2-CD2 3.55Å; L174-L198 HydrophobicContact CD2-CG 4.12Å; L174-L198 HydrophobicContact CG-CD2 4.09Å
175	D	69.1	Low	73.6	Confident	152 Å²	152	76.4 Å²	76.4	81%	0.813	39%	0.394	S	S	*	.	S	Bend	trans	-59.3	-31.9	169.4	-71.8	-30.2	0	0	0	111.4
176	H	73.1	Confident	74.3	Confident	140 Å²	140	73.4 Å²	73.4	65%	0.648	38%	0.384	S	S	*	.			trans	-129.9	88.2	179.8	-62.9	73.9	0	0	0	109.5	L174 Y178	L174-H176 PolarHBondContact O-N 2.95Å; H176-Y178 PolarHBondContact O-N 3.42Å
177	P	79.3	Confident	75.2	Confident	36 Å²	36	72.4 Å²	72.4	23%	0.234	38%	0.377	C	S	.	.			trans	-74.7	12.3	-177	31	-37	0	0	0	113.9	F163 F164	F163-P177 CarbonylContact C-O 3.53Å; F163-P177 WeakPolarHBondContact CA-O 3.41Å; F163-P177 HydrophobicContact CD2-CB 4.1Å; F163-P177 HydrophobicContact CD2-CG 4.19Å; F163-P177 WeakPolarHBondContact CD2-O 3.14Å; F163-P177 HydrophobicContact CE2-CB 3.78Å; F163-P177 HydrophobicContact CE2-CG 3.57Å; F163-P177 HydrophobicContact CZ-CB 4.46Å; F163-P177 HydrophobicContact CZ-CG 4.38Å; F164-P177 PolarHBondContact N-O 3.25Å
178	Y	83.6	Confident	76.5	Confident	110 Å²	110	71 Å²	71	43%	0.431	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	135.7	-178.7	-63.2	-89.1	0	0	0	110.2	I162 F163 H176 F252	I162-Y178 VanDerWaalsContact O-CA 3.31Å; I162-Y178 WeakPolarHBondContact O-CA 3.48Å; F163-Y178 HydrophobicContact CB-CD1 3.95Å; F163-Y178 HydrophobicContact CB-CE1 3.88Å; F163-Y178 AromaticContact CD2-CD1 3.39Å; F163-Y178 HydrophobicContact CD2-CD1 3.39Å; F163-Y178 AromaticContact CD2-CD2 3.89Å; F163-Y178 HydrophobicContact CD2-CD2 3.89Å; F163-Y178 AromaticContact CD2-CE1 3.03Å; F163-Y178 HydrophobicContact CD2-CE1 3.03Å; F163-Y178 AromaticContact CD2-CE2 3.56Å; F163-Y178 HydrophobicContact CD2-CE2 3.56Å; F163-Y178 AromaticContact CD2-CG 3.82Å; F163-Y178 HydrophobicContact CD2-CG 3.82Å; F163-Y178 AromaticContact CD2-CZ 3.1Å; F163-Y178 HydrophobicContact CE2-CD1 4.28Å; F163-Y178 HydrophobicContact CE2-CD2 4.1Å; F163-Y178 AromaticContact CE2-CE1 3.68Å; F163-Y178 HydrophobicContact CE2-CE1 3.68Å; F163-Y178 AromaticContact CE2-CE2 3.43Å; F163-Y178 HydrophobicContact CE2-CE2 3.43Å; F163-Y178 VanDerWaalsContact CE2-CE2 3.43Å; F163-Y178 HydrophobicContact CE2-CG 4.48Å; F163-Y178 AromaticContact CE2-CZ 3.18Å; F163-Y178 VanDerWaalsContact CE2-OH 3.24Å; F163-Y178 WeakPolarHBondContact CE2-OH 3.19Å; F163-Y178 HydrophobicContact CG-CD1 4.11Å; F163-Y178 AromaticContact CG-CE1 3.74Å; F163-Y178 HydrophobicContact CG-CE1 3.74Å; H176-Y178 PolarHBondContact O-N 3.42Å; Y178-F252 HydrophobicContact CD1-CD1 4.17Å; Y178-F252 AromaticContact CD1-CE1 3.59Å; Y178-F252 HydrophobicContact CD1-CE1 3.59Å; Y178-F252 HydrophobicContact CE1-CD1 4.11Å; Y178-F252 AromaticContact CE1-CE1 3.64Å; Y178-F252 HydrophobicContact CE1-CE1 3.64Å; Y178-F252 HydrophobicContact CE1-CZ 4.34Å
179	V	85.4	Confident	77.8	Confident	22 Å²	22	70.2 Å²	70.2	13%	0.133	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132	173.3	140.5	0	0	0	0	109.2	I162 F164 C181 L190 Y193	I162-V179 HydrophobicContact CD1-CG1 4.31Å; I162-V179 PolarHBondContact N-O 2.8Å; I162-V179 PolarHBondContact O-N 2.96Å; F164-V179 HydrophobicContact CE2-CB 4.12Å; F164-V179 HydrophobicContact CE2-CG2 4.29Å; V179-C181 HydrophobicContact CG1-CB 4.19Å; V179-L190 HydrophobicContact CG1-CD2 4.2Å; V179-Y193 HydrophobicContact CG2-CD1 4.02Å; V179-Y193 HydrophobicContact CG2-CD2 4.49Å; V179-Y193 HydrophobicContact CG2-CE1 3.51Å; V179-Y193 HydrophobicContact CG2-CE2 4.04Å; V179-Y193 HydrophobicContact CG2-CG 4.48Å
180	C	85.5	Confident	79.6	Confident	94 Å²	94	63.2 Å²	63.2	64%	0.635	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	126.1	163.9	-67.1	0	0	0	0	108.2	V160 S161	V160-C180 WeakPolarHBondContact O-CA 3.47Å; S161-C180 PolarHBondContact OG-SG 3.16Å
181	C	88.1	Confident	81.3	Confident	26 Å²	26	56.5 Å²	56.5	18%	0.176	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	168.5	176.4	59.9	0	0	0	0	111.1	Q159 V160 V179 S183 A185 L226	Q159-C181 WeakPolarHBondContact CA-O 3.2Å; Q159-C181 PolarHBondContact OE1-O 3.06Å; V160-C181 PolarHBondContact N-O 3.39Å; V160-C181 PolarHBondContact O-N 2.82Å; V160-C181 VanDerWaalsContact O-N 3.14Å; V179-C181 HydrophobicContact CG1-CB 4.19Å; C181-S183 PolarHBondContact O-N 3.06Å; C181-A185 HydrophobicContact CB-CB 4.45Å; C181-L226 WeakPolarHBondContact SG-CD1 3.02Å
182	S	89.7	Confident	82.9	Confident	12 Å²	12	57.1 Å²	57.1	8%	0.084	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	138.2	173.7	165.2	0	0	0	0	110.9	D157 Q184 A185	D157-S182 VanDerWaalsContact CB-OG 3.28Å; D157-S182 WeakPolarHBondContact CB-OG 3.49Å; D157-S182 WeakPolarHBondContact OD2-CB 3.48Å; D157-S182 PolarHBondContact OD2-OG 3.27Å; S182-Q184 PolarHBondContact O-N 3.07Å; S182-Q184 WeakPolarHBondContact OG-CB 3.14Å; S182-Q184 PolarHBondContact OG-N 3.4Å; S182-A185 WeakPolarHBondContact O-CB 3.34Å; S182-A185 PolarHBondContact O-N 2.86Å
183	S	89.7	Confident	84.3	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.007	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-17.4	170.4	61.9	0	0	0	0	113	E158 C181 A185 L226 K227	E158-S183 WeakPolarHBondContact O-CB 2.95Å; E158-S183 PolarHBondContact O-N 3.43Å; E158-S183 PolarHBondContact O-OG 3.24Å; C181-S183 PolarHBondContact O-N 3.06Å; S183-A185 VanDerWaalsContact C-N 3.35Å; S183-L226 CarbonylContact O-C 3.58Å; S183-L226 WeakPolarHBondContact O-CB 3.18Å; S183-L226 PolarHBondContact O-N 3.35Å; S183-K227 WeakPolarHBondContact O-CB 3.47Å; S183-K227 PolarHBondContact O-N 2.82Å
184	Q	90.7	Very high	85.2	Confident	94 Å²	94	50.4 Å²	50.4	44%	0.439	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-13.2	174.4	-54.6	-57.9	-24.1	0	0	113.3	S182 T186	S182-Q184 PolarHBondContact O-N 3.07Å; S182-Q184 WeakPolarHBondContact OG-CB 3.14Å; S182-Q184 PolarHBondContact OG-N 3.4Å; Q184-T186 PolarHBondContact O-N 2.89Å
185	A	91.8	Very high	86	Confident	17 Å²	17	49.6 Å²	49.6	14%	0.14	26%	0.259	C	S	.	.			trans	-57.7	137.9	175.8	0	0	0	0	0	110.4	C181 S182 S183 S225 L226	C181-A185 HydrophobicContact CB-CB 4.45Å; S182-A185 WeakPolarHBondContact O-CB 3.34Å; S182-A185 PolarHBondContact O-N 2.86Å; S183-A185 VanDerWaalsContact C-N 3.35Å; A185-S225 CarbonylContact O-C 3.54Å; A185-S225 WeakPolarHBondContact O-CA 3.48Å; A185-L226 HydrophobicContact CB-CD1 4.1Å; A185-L226 WeakPolarHBondContact O-CG 3.47Å; A185-L226 PolarHBondContact O-N 3.4Å
186	T	92.4	Very high	86.6	Confident	38 Å²	38	46.6 Å²	46.6	23%	0.233	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-95.7	163.4	178.9	61.6	0	0	0	0	111.7	Q184 T188 V189 L190 H224	Q184-T186 PolarHBondContact O-N 2.89Å; T186-T188 PolarHBondContact O-N 2.66Å; T186-V189 WeakPolarHBondContact O-CA 3.42Å; T186-V189 WeakPolarHBondContact O-CB 3.45Å; T186-V189 PolarHBondContact O-N 2.93Å; T186-L190 PolarHBondContact O-N 2.92Å; T186-H224 CarbonylContact C-O 3.57Å; T186-H224 VanDerWaalsContact CA-O 3.23Å; T186-H224 WeakPolarHBondContact CA-O 3.43Å
187	I	90.2	Very high	87	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-56.2	-32.3	172.1	-64.6	-51.4	0	0	0	112.2	V189 L190 K191 I213 L220 G221 H224 I229	I187-V189 VanDerWaalsContact C-N 3.32Å; I187-V189 PolarHBondContact O-N 2.97Å; I187-L190 HydrophobicContact CD1-CD1 4Å; I187-L190 PolarHBondContact O-N 3.02Å; I187-K191 HydrophobicContact CG2-CG 4.32Å; I187-K191 WeakPolarHBondContact O-CB 3.3Å; I187-K191 WeakPolarHBondContact O-CG 3.45Å; I187-K191 PolarHBondContact O-N 3.34Å; I187-I213 HydrophobicContact CD1-CG2 4.46Å; I187-I213 HydrophobicContact CG2-CB 4.31Å; I187-I213 HydrophobicContact CG2-CD1 4.19Å; I187-L220 HydrophobicContact CD1-CB 4.16Å; I187-L220 HydrophobicContact CD1-CD1 3.59Å; I187-L220 HydrophobicContact CG1-CB 3.77Å; I187-L220 HydrophobicContact CG1-CD1 4.14Å; I187-L220 HydrophobicContact CG2-CB 4.37Å; I187-G221 WeakPolarHBondContact CB-O 3.35Å; I187-H224 HydrophobicContact CG1-CB 4.24Å; I187-H224 PolarHBondContact N-O 3.22Å; I187-I229 HydrophobicContact CD1-CD1 3.48Å; I187-I229 VanDerWaalsContact CD1-CD1 3.48Å; I187-I229 HydrophobicContact CG1-CD1 3.71Å
188	T	89.8	Confident	87	Confident	32 Å²	32	42.2 Å²	42.2	20%	0.196	23%	0.227	C	C	.	.	H	α-helix	trans	-59.1	-42.2	172.1	-60.5	0	0	0	0	112.3	T186 K191 K192 F205 K222	T186-T188 PolarHBondContact O-N 2.66Å; T188-K191 PolarHBondContact O-N 3.35Å; T188-K192 WeakPolarHBondContact O-CG 3.44Å; T188-K192 PolarHBondContact O-N 3.19Å; T188-F205 HydrophobicContact CG2-CD2 4.4Å; T188-F205 HydrophobicContact CG2-CE2 4.15Å; T188-K222 PolarHBondContact N-O 2.64Å; T188-K222 WeakPolarHBondContact OG1-CB 3.36Å; T188-K222 PolarHBondContact OG1-O 2.92Å
189	V	89.9	Confident	86.9	Confident	77 Å²	77	40.4 Å²	40.4	47%	0.467	22%	0.22	S	C	.	.	H	α-helix	trans	-64.5	-43.3	177.3	177.7	0	0	0	0	110.4	T186 I187 K192 Y193	T186-V189 WeakPolarHBondContact O-CA 3.42Å; T186-V189 WeakPolarHBondContact O-CB 3.45Å; T186-V189 PolarHBondContact O-N 2.93Å; I187-V189 VanDerWaalsContact C-N 3.32Å; I187-V189 PolarHBondContact O-N 2.97Å; V189-K192 WeakPolarHBondContact O-CB 3.13Å; V189-K192 PolarHBondContact O-N 3.15Å; V189-Y193 PolarHBondContact O-N 3.37Å
190	L	89.2	Confident	86.6	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-64.8	-40.1	176	-61.9	-174.4	0	0	0	112.6	I162 F164 V179 T186 I187 K192 Y193 L194 I213 L226 F255	I162-L190 HydrophobicContact CD1-CD1 3.62Å; I162-L190 HydrophobicContact CD1-CD2 3.92Å; I162-L190 HydrophobicContact CD1-CG 4.42Å; F164-L190 HydrophobicContact CZ-CB 4.36Å; F164-L190 HydrophobicContact CZ-CD1 4.3Å; F164-L190 HydrophobicContact CZ-CD2 4.3Å; V179-L190 HydrophobicContact CG1-CD2 4.2Å; T186-L190 PolarHBondContact O-N 2.92Å; I187-L190 HydrophobicContact CD1-CD1 4Å; I187-L190 PolarHBondContact O-N 3.02Å; L190-K192 VanDerWaalsContact C-N 3.33Å; L190-K192 PolarHBondContact O-N 3.14Å; L190-Y193 WeakPolarHBondContact O-CB 3.48Å; L190-Y193 PolarHBondContact O-N 3.47Å; L190-L194 WeakPolarHBondContact O-CG 3.28Å; L190-L194 PolarHBondContact O-N 2.85Å; L190-I213 HydrophobicContact CB-CD1 3.63Å; L190-L226 HydrophobicContact CD1-CD2 3.99Å; L190-F255 HydrophobicContact CD1-CD2 4.31Å; L190-F255 HydrophobicContact CD1-CE2 4.23Å
191	K	87.1	Confident	86.3	Confident	24 Å²	24	40.5 Å²	40.5	10%	0.104	23%	0.227	C	C	.	.	H	α-helix	trans	-61.2	-41.7	174.4	-76.7	-165.9	175.4	-155	0	111.5	I187 T188 L194 A195 F211 D212 I213	I187-K191 HydrophobicContact CG2-CG 4.32Å; I187-K191 WeakPolarHBondContact O-CB 3.3Å; I187-K191 WeakPolarHBondContact O-CG 3.45Å; I187-K191 PolarHBondContact O-N 3.34Å; T188-K191 PolarHBondContact O-N 3.35Å; K191-L194 PolarHBondContact O-N 3.44Å; K191-A195 WeakPolarHBondContact O-CB 3.33Å; K191-A195 PolarHBondContact O-N 3.08Å; K191-F211 HydrophobicContact CB-CE2 4.37Å; K191-F211 HydrophobicContact CG-CE2 4.18Å; K191-F211 PolarHBondContact NZ-O 3.08Å; K191-D212 IonicContact NZ-OD1 3.41Å; K191-D212 PolarHBondContact NZ-OD1 3.37Å; K191-I213 HydrophobicContact CG-CD1 3.78Å; K191-I213 HydrophobicContact CG-CG1 4.08Å
192	K	86.8	Confident	86	Confident	81 Å²	81	43 Å²	43	35%	0.352	24%	0.238	S	C	.	.	H	α-helix	trans	-61.3	-43.7	173.5	-74.4	175.8	178.7	-176.8	0	112.1	T188 V189 L190 A195 M196 I202 F205	T188-K192 WeakPolarHBondContact O-CG 3.44Å; T188-K192 PolarHBondContact O-N 3.19Å; V189-K192 WeakPolarHBondContact O-CB 3.13Å; V189-K192 PolarHBondContact O-N 3.15Å; L190-K192 VanDerWaalsContact C-N 3.33Å; L190-K192 PolarHBondContact O-N 3.14Å; K192-A195 PolarHBondContact O-N 2.71Å; K192-M196 PolarHBondContact O-N 3.11Å; K192-M196 VanDerWaalsContact O-N 3.07Å; K192-I202 HydrophobicContact CB-CD1 4.26Å; K192-I202 HydrophobicContact CB-CG1 4.08Å; K192-I202 HydrophobicContact CG-CG1 4.27Å; K192-F205 HydrophobicContact CB-CB 4.49Å; K192-F205 HydrophobicContact CD-CD2 4.45Å; K192-F205 HydrophobicContact CD-CE2 4.44Å; K192-F205 HydrophobicContact CD-CZ 4.5Å; K192-F205 VanDerWaalsContact CE-CE2 3.45Å; K192-F205 HydrophobicContact CG-CB 3.89Å; K192-F205 HydrophobicContact CG-CD1 3.86Å; K192-F205 HydrophobicContact CG-CD2 3.67Å; K192-F205 HydrophobicContact CG-CE1 4.26Å; K192-F205 HydrophobicContact CG-CE2 4.14Å; K192-F205 HydrophobicContact CG-CG 3.51Å; K192-F205 HydrophobicContact CG-CZ 4.4Å
193	Y	86.7	Confident	85.5	Confident	82 Å²	82	45.8 Å²	45.8	32%	0.322	26%	0.257	S	S	.	.	H	α-helix	trans	-59.7	-50.4	175.4	167.8	-99.1	0	0	0	111.5	F164 V179 V189 L190 A195 M196 A197	F164-Y193 HydrophobicContact CE2-CD1 4.17Å; F164-Y193 HydrophobicContact CE2-CE1 4.03Å; V179-Y193 HydrophobicContact CG2-CD1 4.02Å; V179-Y193 HydrophobicContact CG2-CD2 4.49Å; V179-Y193 HydrophobicContact CG2-CE1 3.51Å; V179-Y193 HydrophobicContact CG2-CE2 4.04Å; V179-Y193 HydrophobicContact CG2-CG 4.48Å; V189-Y193 PolarHBondContact O-N 3.37Å; L190-Y193 WeakPolarHBondContact O-CB 3.48Å; L190-Y193 PolarHBondContact O-N 3.47Å; Y193-A195 VanDerWaalsContact C-N 3.34Å; Y193-A195 PolarHBondContact O-N 2.84Å; Y193-M196 PolarHBondContact O-N 3.12Å; Y193-A197 HydrophobicContact CE1-CB 4.43Å; Y193-A197 WeakPolarHBondContact O-CB 3.07Å; Y193-A197 PolarHBondContact O-N 3.42Å
194	L	84.6	Confident	84.8	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-39.1	178.4	-70.3	176.6	0	0	0	112.1	F164 L174 L190 K191 M196 A197 L198 F211 I213 I257	F164-L194 HydrophobicContact CD1-CD1 4.13Å; F164-L194 HydrophobicContact CD1-CD2 4.26Å; F164-L194 HydrophobicContact CD2-CD2 4.09Å; F164-L194 HydrophobicContact CE1-CD1 3.83Å; F164-L194 HydrophobicContact CE1-CD2 4.29Å; F164-L194 HydrophobicContact CE1-CG 4.29Å; F164-L194 HydrophobicContact CE2-CD2 4.11Å; F164-L194 HydrophobicContact CG-CD2 4.16Å; F164-L194 HydrophobicContact CZ-CD1 4.27Å; F164-L194 HydrophobicContact CZ-CD2 4.21Å; F164-L194 HydrophobicContact CZ-CG 4.25Å; L174-L194 HydrophobicContact CD1-CD2 3.64Å; L174-L194 HydrophobicContact CD2-CD2 4.34Å; L190-L194 WeakPolarHBondContact O-CG 3.28Å; L190-L194 PolarHBondContact O-N 2.85Å; K191-L194 PolarHBondContact O-N 3.44Å; L194-M196 VanDerWaalsContact C-N 3.32Å; L194-M196 PolarHBondContact O-N 3.34Å; L194-A197 PolarHBondContact O-N 2.72Å; L194-L198 HydrophobicContact CB-CD1 4.33Å; L194-L198 WeakPolarHBondContact O-CB 3.13Å; L194-L198 WeakPolarHBondContact O-CG 3.29Å; L194-L198 PolarHBondContact O-N 3.07Å; L194-F211 HydrophobicContact CB-CE2 3.61Å; L194-F211 HydrophobicContact CB-CZ 3.83Å; L194-F211 HydrophobicContact CD1-CD2 4.19Å; L194-F211 HydrophobicContact CD1-CE2 3.77Å; L194-F211 HydrophobicContact CG-CE2 4.36Å; L194-I213 HydrophobicContact CD1-CD1 3.85Å; L194-I213 HydrophobicContact CD1-CG1 4.11Å; L194-I257 HydrophobicContact CD1-CD1 3.63Å; L194-I257 HydrophobicContact CD1-CG1 3.91Å; L194-I257 HydrophobicContact CD2-CD1 3.66Å; L194-I257 HydrophobicContact CG-CD1 4.28Å
195	A	83.6	Confident	84	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.3	-46.5	175.3	0	0	0	0	0	111.5	K191 K192 Y193 Y199 D201 R204 F205 F211	K191-A195 WeakPolarHBondContact O-CB 3.33Å; K191-A195 PolarHBondContact O-N 3.08Å; K192-A195 PolarHBondContact O-N 2.71Å; Y193-A195 VanDerWaalsContact C-N 3.34Å; Y193-A195 PolarHBondContact O-N 2.84Å; A195-Y199 WeakPolarHBondContact O-CB 3.35Å; A195-Y199 WeakPolarHBondContact O-CD2 3.37Å; A195-Y199 PolarHBondContact O-N 2.95Å; A195-D201 CarbonylContact C-O 3.53Å; A195-R204 HydrophobicContact CB-CB 4.13Å; A195-F205 HydrophobicContact CB-CB 3.94Å; A195-F211 HydrophobicContact CB-CZ 4.41Å
196	M	81.9	Confident	82.9	Confident	90 Å²	90	53.6 Å²	53.6	44%	0.443	29%	0.289	S	S	.	.	H	α-helix	trans	-64.9	-46.5	175.3	-174.5	58.8	78.5	0	0	112	K192 Y193 L194 L198 G200 I202	K192-M196 PolarHBondContact O-N 3.11Å; K192-M196 VanDerWaalsContact O-N 3.07Å; Y193-M196 PolarHBondContact O-N 3.12Å; L194-M196 VanDerWaalsContact C-N 3.32Å; L194-M196 PolarHBondContact O-N 3.34Å; M196-L198 PolarHBondContact O-N 3.01Å; M196-G200 VanDerWaalsContact O-CA 3.23Å; M196-G200 WeakPolarHBondContact O-CA 3.3Å; M196-G200 PolarHBondContact O-N 3.21Å; M196-I202 HydrophobicContact CE-CB 3.75Å
197	A	81.3	Confident	81.9	Confident	48 Å²	48	54.7 Å²	54.7	40%	0.397	29%	0.293	S	S	.	.	H	α-helix	trans	-70.3	-32.4	-174.6	0	0	0	0	0	113.2	L174 Y193 L194	L174-A197 HydrophobicContact CD2-CB 3.45Å; L174-A197 VanDerWaalsContact CD2-CB 3.45Å; Y193-A197 HydrophobicContact CE1-CB 4.43Å; Y193-A197 WeakPolarHBondContact O-CB 3.07Å; Y193-A197 PolarHBondContact O-N 3.42Å; L194-A197 PolarHBondContact O-N 2.72Å
198	L	79.3	Confident	80.2	Confident	35 Å²	35	59.6 Å²	59.6	18%	0.183	32%	0.323	C	S	.	.	H	α-helix	trans	-89.6	-33.5	-178.2	-62.8	176.9	0	0	0	113.6	L173 L174 L194 M196	L173-L198 HydrophobicContact CB-CD2 3.86Å; L173-L198 HydrophobicContact CD2-CD1 3.74Å; L173-L198 HydrophobicContact CD2-CD2 3.64Å; L173-L198 HydrophobicContact CD2-CG 4.36Å; L173-L198 HydrophobicContact CG-CD2 4.09Å; L173-L198 WeakPolarHBondContact O-CD2 3.41Å; L174-L198 HydrophobicContact CD2-CD2 3.55Å; L174-L198 HydrophobicContact CD2-CG 4.12Å; L174-L198 HydrophobicContact CG-CD2 4.09Å; L194-L198 HydrophobicContact CB-CD1 4.33Å; L194-L198 WeakPolarHBondContact O-CB 3.13Å; L194-L198 WeakPolarHBondContact O-CG 3.29Å; L194-L198 PolarHBondContact O-N 3.07Å; M196-L198 PolarHBondContact O-N 3.01Å
199	Y	80.7	Confident	78.5	Confident	73 Å²	73	61.4 Å²	61.4	29%	0.286	34%	0.337	S	S	.	.	H	α-helix	trans	-124.7	-7.2	-170.1	-51.1	-72.7	0	0	0	114.1	A195 D201 R204 F211 R259	A195-Y199 WeakPolarHBondContact O-CB 3.35Å; A195-Y199 WeakPolarHBondContact O-CD2 3.37Å; A195-Y199 PolarHBondContact O-N 2.95Å; Y199-D201 PolarHBondContact O-N 3.02Å; Y199-R204 HydrophobicContact CD2-CB 4.04Å; Y199-R204 HydrophobicContact CD2-CG 4.36Å; Y199-R204 HydrophobicContact CG-CG 4.47Å; Y199-F211 HydrophobicContact CE2-CD1 4.32Å; Y199-F211 AromaticContact CE2-CE1 3.98Å; Y199-F211 HydrophobicContact CE2-CE1 3.98Å; Y199-R259 PolarHBondContact OH-NE 2.75Å; Y199-R259 VanDerWaalsContact OH-NE 3.16Å; Y199-R259 PolarHBondContact OH-NH2 3.41Å
200	G	80.7	Confident	77.2	Confident	59 Å²	59	60.7 Å²	60.7	61%	0.608	33%	0.328	S	S	*	.	S	Bend	trans	67.3	11.2	-174.3	0	0	0	0	0	114.4	M196	M196-G200 VanDerWaalsContact O-CA 3.23Å; M196-G200 WeakPolarHBondContact O-CA 3.3Å; M196-G200 PolarHBondContact O-N 3.21Å
201	D	78.8	Confident	76.3	Confident	58 Å²	58	60.8 Å²	60.8	31%	0.31	33%	0.328	S	S	.	.			trans	-136.8	111	-177.3	174.5	10.2	0	0	0	109.6	A195 Y199 S203 R204	A195-D201 CarbonylContact C-O 3.53Å; Y199-D201 PolarHBondContact O-N 3.02Å; D201-S203 PolarHBondContact O-N 2.74Å; D201-S203 WeakPolarHBondContact OD1-CB 3.42Å; D201-S203 PolarHBondContact OD1-N 3.43Å; D201-S203 PolarHBondContact OD1-OG 2.98Å; D201-R204 HydrophobicContact CB-CG 4.01Å; D201-R204 WeakPolarHBondContact O-CB 3.48Å; D201-R204 PolarHBondContact O-N 3.27Å; D201-R204 IonicContact OD2-NE 3.4Å
202	I	81.5	Confident	76	Confident	80 Å²	80	60.6 Å²	60.6	41%	0.41	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-59.8	-35.2	-178.4	-161.2	164.9	0	0	0	111.5	K192 M196 R204 F205	K192-I202 HydrophobicContact CB-CD1 4.26Å; K192-I202 HydrophobicContact CB-CG1 4.08Å; K192-I202 HydrophobicContact CG-CG1 4.27Å; M196-I202 HydrophobicContact CE-CB 3.75Å; I202-R204 PolarHBondContact O-N 3.39Å; I202-F205 WeakPolarHBondContact O-CB 3.14Å; I202-F205 WeakPolarHBondContact O-CD1 3.42Å; I202-F205 PolarHBondContact O-N 2.92Å
203	S	78.3	Confident	75.9	Confident	70 Å²	70	56.8 Å²	56.8	49%	0.49	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-60.8	-23.4	-172	-37.8	0	0	0	0	112.5	D201 F205 L206	D201-S203 PolarHBondContact O-N 2.74Å; D201-S203 WeakPolarHBondContact OD1-CB 3.42Å; D201-S203 PolarHBondContact OD1-N 3.43Å; D201-S203 PolarHBondContact OD1-OG 2.98Å; S203-F205 PolarHBondContact O-N 3.23Å; S203-L206 PolarHBondContact O-N 3.06Å
204	R	76.5	Confident	75.7	Confident	102 Å²	102	53.9 Å²	53.9	39%	0.385	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-62.2	-11.1	175.7	-60.7	-63.1	-173.6	147.3	4.5	113.8	A195 Y199 D201 I202 L206 D207	A195-R204 HydrophobicContact CB-CB 4.13Å; Y199-R204 HydrophobicContact CD2-CB 4.04Å; Y199-R204 HydrophobicContact CD2-CG 4.36Å; Y199-R204 HydrophobicContact CG-CG 4.47Å; D201-R204 HydrophobicContact CB-CG 4.01Å; D201-R204 WeakPolarHBondContact O-CB 3.48Å; D201-R204 PolarHBondContact O-N 3.27Å; D201-R204 IonicContact OD2-NE 3.4Å; I202-R204 PolarHBondContact O-N 3.39Å; R204-L206 VanDerWaalsContact C-N 3.26Å; R204-L206 PolarHBondContact O-N 2.91Å; R204-D207 WeakPolarHBondContact O-CB 3.4Å; R204-D207 PolarHBondContact O-N 3.22Å
205	F	72.7	Confident	75.6	Confident	49 Å²	49	53.9 Å²	53.9	22%	0.215	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-66.1	-24.8	174.5	90	-82.3	0	0	0	114.1	T188 K192 A195 I202 S203 D207	T188-F205 HydrophobicContact CG2-CD2 4.4Å; T188-F205 HydrophobicContact CG2-CE2 4.15Å; K192-F205 HydrophobicContact CB-CB 4.49Å; K192-F205 HydrophobicContact CD-CD2 4.45Å; K192-F205 HydrophobicContact CD-CE2 4.44Å; K192-F205 HydrophobicContact CD-CZ 4.5Å; K192-F205 VanDerWaalsContact CE-CE2 3.45Å; K192-F205 HydrophobicContact CG-CB 3.89Å; K192-F205 HydrophobicContact CG-CD1 3.86Å; K192-F205 HydrophobicContact CG-CD2 3.67Å; K192-F205 HydrophobicContact CG-CE1 4.26Å; K192-F205 HydrophobicContact CG-CE2 4.14Å; K192-F205 HydrophobicContact CG-CG 3.51Å; K192-F205 HydrophobicContact CG-CZ 4.4Å; A195-F205 HydrophobicContact CB-CB 3.94Å; I202-F205 WeakPolarHBondContact O-CB 3.14Å; I202-F205 WeakPolarHBondContact O-CD1 3.42Å; I202-F205 PolarHBondContact O-N 2.92Å; S203-F205 PolarHBondContact O-N 3.23Å; F205-D207 VanDerWaalsContact C-N 3.25Å
206	L	70	Confident	75.3	Confident	124 Å²	124	57.7 Å²	57.7	65%	0.649	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-77.3	-15.4	178	-70.3	170.5	0	0	0	112.6	S203 R204 V208	S203-L206 PolarHBondContact O-N 3.06Å; R204-L206 VanDerWaalsContact C-N 3.26Å; R204-L206 PolarHBondContact O-N 2.91Å; L206-V208 WeakPolarHBondContact O-CG2 3.48Å; L206-V208 PolarHBondContact O-N 3.29Å
207	D	69.9	Low	75.1	Confident	61 Å²	61	57.6 Å²	57.6	33%	0.326	33%	0.33	S	S	.	.			trans	-78.7	79.3	-179.1	-150	-11.7	0	0	0	108.5	R204 F205 S209 K210	R204-D207 WeakPolarHBondContact O-CB 3.4Å; R204-D207 PolarHBondContact O-N 3.22Å; F205-D207 VanDerWaalsContact C-N 3.25Å; D207-S209 PolarHBondContact O-N 2.98Å; D207-S209 PolarHBondContact OD1-OG 3.47Å; D207-K210 HydrophobicContact CB-CD 4.46Å; D207-K210 HydrophobicContact CB-CG 4.11Å; D207-K210 PolarHBondContact O-N 3.04Å; D207-K210 VanDerWaalsContact OD2-CE 3.29Å; D207-K210 WeakPolarHBondContact OD2-CE 3.38Å
208	V	55.6	Low	75.1	Confident	104 Å²	104	60.2 Å²	60.2	63%	0.63	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-24.7	-177.6	-170.9	0	0	0	0	111.4	L206 K210	L206-V208 WeakPolarHBondContact O-CG2 3.48Å; L206-V208 PolarHBondContact O-N 3.29Å; V208-K210 VanDerWaalsContact C-N 3.32Å; V208-K210 PolarHBondContact O-N 2.82Å
209	S	53.2	Low	75.4	Confident	69 Å²	69	61.9 Å²	61.9	48%	0.483	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-23.3	176.8	69.7	0	0	0	0	114.4	D207 Y260	D207-S209 PolarHBondContact O-N 2.98Å; D207-S209 PolarHBondContact OD1-OG 3.47Å; S209-Y260 WeakPolarHBondContact O-CB 3.39Å
210	K	64	Low	75.7	Confident	63 Å²	63	58.6 Å²	58.6	27%	0.274	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-35.7	-164.2	-72.4	-154.8	173.3	-162.4	0	115.5	D207 V208 R259	D207-K210 HydrophobicContact CB-CD 4.46Å; D207-K210 HydrophobicContact CB-CG 4.11Å; D207-K210 PolarHBondContact O-N 3.04Å; D207-K210 VanDerWaalsContact OD2-CE 3.29Å; D207-K210 WeakPolarHBondContact OD2-CE 3.38Å; V208-K210 VanDerWaalsContact C-N 3.32Å; V208-K210 PolarHBondContact O-N 2.82Å; K210-R259 VanDerWaalsContact O-CA 3.3Å; K210-R259 WeakPolarHBondContact O-CA 3.47Å; K210-R259 WeakPolarHBondContact O-CG 3.47Å
211	F	69.6	Low	75.9	Confident	4 Å²	4	57.1 Å²	57.1	2%	0.018	32%	0.317	C	S	.	.			trans	-164.3	143.4	174.7	61.7	-78.2	0	0	0	113.5	K191 L194 A195 Y199 I257 C258 R259	K191-F211 HydrophobicContact CB-CE2 4.37Å; K191-F211 HydrophobicContact CG-CE2 4.18Å; K191-F211 PolarHBondContact NZ-O 3.08Å; L194-F211 HydrophobicContact CB-CE2 3.61Å; L194-F211 HydrophobicContact CB-CZ 3.83Å; L194-F211 HydrophobicContact CD1-CD2 4.19Å; L194-F211 HydrophobicContact CD1-CE2 3.77Å; L194-F211 HydrophobicContact CG-CE2 4.36Å; A195-F211 HydrophobicContact CB-CZ 4.41Å; Y199-F211 HydrophobicContact CE2-CD1 4.32Å; Y199-F211 AromaticContact CE2-CE1 3.98Å; Y199-F211 HydrophobicContact CE2-CE1 3.98Å; F211-I257 HydrophobicContact CB-CG2 3.79Å; F211-I257 HydrophobicContact CD2-CG2 4.07Å; F211-I257 HydrophobicContact CG-CG2 4.21Å; F211-C258 CarbonylContact C-O 3.58Å; F211-C258 WeakPolarHBondContact CA-O 3.4Å; F211-R259 HydrophobicContact CB-CG 4.21Å
212	D	79.7	Confident	76.3	Confident	21 Å²	21	60.8 Å²	60.8	11%	0.112	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	151.4	169.1	-83.2	-41.1	0	0	0	111.8	K191 L214 V219 I257 C258 Y260	K191-D212 IonicContact NZ-OD1 3.41Å; K191-D212 PolarHBondContact NZ-OD1 3.37Å; D212-L214 HydrophobicContact CB-CD1 4.2Å; D212-V219 HydrophobicContact CB-CG1 4.17Å; D212-V219 HydrophobicContact CB-CG2 4.48Å; D212-I257 WeakPolarHBondContact O-CA 3.37Å; D212-C258 PolarHBondContact N-O 3.1Å; D212-C258 PolarHBondContact O-N 3.2Å; D212-Y260 HydrophobicContact CB-CE2 4.39Å; D212-Y260 WeakPolarHBondContact OD2-CE2 3.48Å
213	I	84.6	Confident	76.6	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117.7	173.9	-55.3	-174.9	0	0	0	106.7	F164 I187 L190 K191 L194 L220 F255 R256	F164-I213 HydrophobicContact CE1-CD1 4.45Å; I187-I213 HydrophobicContact CD1-CG2 4.46Å; I187-I213 HydrophobicContact CG2-CB 4.31Å; I187-I213 HydrophobicContact CG2-CD1 4.19Å; L190-I213 HydrophobicContact CB-CD1 3.63Å; K191-I213 HydrophobicContact CG-CD1 3.78Å; K191-I213 HydrophobicContact CG-CG1 4.08Å; L194-I213 HydrophobicContact CD1-CD1 3.85Å; L194-I213 HydrophobicContact CD1-CG1 4.11Å; I213-L220 HydrophobicContact CG2-CD1 4.03Å; I213-L220 WeakPolarHBondContact O-CB 3.49Å; I213-L220 WeakPolarHBondContact O-CG 3.21Å; I213-L220 PolarHBondContact O-N 2.81Å; I213-L220 VanDerWaalsContact O-N 3.08Å; I213-F255 HydrophobicContact CG2-CB 3.65Å; I213-F255 HydrophobicContact CG2-CD1 4.28Å; I213-F255 HydrophobicContact CG2-CD2 4.25Å; I213-F255 HydrophobicContact CG2-CG 3.82Å; I213-R256 WeakPolarHBondContact CA-O 3.43Å
214	L	83.5	Confident	77.2	Confident	21 Å²	21	61.2 Å²	61.2	11%	0.11	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.1	-178.7	-63	87.8	0	0	0	110.7	D212 E218 V219 F255 R256 C258	D212-L214 HydrophobicContact CB-CD1 4.2Å; L214-E218 CarbonylContact C-O 3.57Å; L214-E218 WeakPolarHBondContact CA-O 3.23Å; L214-V219 HydrophobicContact CD2-CG2 4.37Å; L214-V219 HydrophobicContact CG-CG2 4.31Å; L214-F255 CarbonylContact O-C 3.57Å; L214-F255 VanDerWaalsContact O-CA 3.3Å; L214-F255 WeakPolarHBondContact O-CA 3.43Å; L214-R256 HydrophobicContact CB-CB 4.17Å; L214-R256 PolarHBondContact N-O 2.98Å; L214-R256 PolarHBondContact O-N 3.22Å; L214-C258 HydrophobicContact CD1-CB 3.37Å
215	C	82.5	Confident	78	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	124.9	165.8	-172.6	0	0	0	0	107.9	S217 E218 L220 I229 F255	C215-S217 PolarHBondContact O-N 2.98Å; C215-E218 PolarHBondContact N-O 3.25Å; C215-E218 PolarHBondContact O-N 3.2Å; C215-L220 HydrophobicContact CB-CD1 3.86Å; C215-L220 HydrophobicContact CB-CD2 3.61Å; C215-L220 HydrophobicContact CB-CG 3.96Å; C215-I229 HydrophobicContact CB-CG2 4.39Å; C215-F255 HydrophobicContact CB-CD1 3.85Å; C215-F255 HydrophobicContact CB-CE1 3.66Å
216	N	77.5	Confident	78.8	Confident	80 Å²	80	55.2 Å²	55.2	43%	0.428	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	42.8	-179.4	-59.2	-28.3	0	0	0	113	E218 R233	N216-E218 PolarHBondContact O-N 3.42Å; N216-R233 PolarHBondContact ND2-O 3.17Å
217	S	78.2	Confident	79.7	Confident	88 Å²	88	51.8 Å²	51.8	62%	0.615	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	10.9	-177.4	-52.1	0	0	0	0	115.8	C215	C215-S217 PolarHBondContact O-N 2.98Å
218	E	81.4	Confident	80.7	Confident	104 Å²	104	53.2 Å²	53.2	49%	0.486	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	135.9	171.8	-62.9	-175.7	171.4	0	0	111.4	L214 C215 N216 L220 R233	L214-E218 CarbonylContact C-O 3.57Å; L214-E218 WeakPolarHBondContact CA-O 3.23Å; C215-E218 PolarHBondContact N-O 3.25Å; C215-E218 PolarHBondContact O-N 3.2Å; N216-E218 PolarHBondContact O-N 3.42Å; E218-L220 PolarHBondContact O-N 3.24Å; E218-R233 VanDerWaalsContact CB-NH1 3.34Å; E218-R233 VanDerWaalsContact OE2-CD 3.24Å; E218-R233 WeakPolarHBondContact OE2-CD 3.47Å; E218-R233 IonicContact OE2-CZ 3.77Å; E218-R233 VanDerWaalsContact OE2-CZ 3.25Å; E218-R233 IonicContact OE2-NE 3.21Å; E218-R233 PolarHBondContact OE2-NE 2.74Å; E218-R233 IonicContact OE2-NH1 2.8Å; E218-R233 PolarHBondContact OE2-NH1 3.19Å
219	V	84.7	Confident	82.3	Confident	70 Å²	70	48.2 Å²	48.2	42%	0.424	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	132.3	173.5	-178.5	0	0	0	0	109.8	D212 L214 R233	D212-V219 HydrophobicContact CB-CG1 4.17Å; D212-V219 HydrophobicContact CB-CG2 4.48Å; L214-V219 HydrophobicContact CD2-CG2 4.37Å; L214-V219 HydrophobicContact CG-CG2 4.31Å; V219-R233 PolarHBondContact O-NH1 2.93Å; V219-R233 VanDerWaalsContact O-NH1 3.14Å
220	L	86.6	Confident	83.7	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.021	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-90.9	132.9	177.3	-59.5	172.5	0	0	0	110.8	I187 I213 C215 E218 I229 F255	I187-L220 HydrophobicContact CD1-CB 4.16Å; I187-L220 HydrophobicContact CD1-CD1 3.59Å; I187-L220 HydrophobicContact CG1-CB 3.77Å; I187-L220 HydrophobicContact CG1-CD1 4.14Å; I187-L220 HydrophobicContact CG2-CB 4.37Å; I213-L220 HydrophobicContact CG2-CD1 4.03Å; I213-L220 WeakPolarHBondContact O-CB 3.49Å; I213-L220 WeakPolarHBondContact O-CG 3.21Å; I213-L220 PolarHBondContact O-N 2.81Å; I213-L220 VanDerWaalsContact O-N 3.08Å; C215-L220 HydrophobicContact CB-CD1 3.86Å; C215-L220 HydrophobicContact CB-CD2 3.61Å; C215-L220 HydrophobicContact CB-CG 3.96Å; E218-L220 PolarHBondContact O-N 3.24Å; L220-I229 HydrophobicContact CD1-CD1 3.89Å; L220-I229 HydrophobicContact CD2-CD1 4.26Å; L220-I229 HydrophobicContact CD2-CG1 4.08Å; L220-I229 HydrophobicContact CD2-CG2 4.22Å; L220-F255 HydrophobicContact CD1-CD1 3.77Å; L220-F255 HydrophobicContact CD1-CE1 3.55Å; L220-F255 HydrophobicContact CD1-CZ 4.16Å
221	G	85.7	Confident	84.7	Confident	27 Å²	27	52 Å²	52	28%	0.278	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-62.6	141.5	173.9	0	0	0	0	0	111.7	I187 D223 H224	I187-G221 WeakPolarHBondContact CB-O 3.35Å; G221-D223 PolarHBondContact O-N 3.43Å; G221-D223 VanDerWaalsContact O-N 3.14Å; G221-H224 PolarHBondContact N-CE1 3.02Å; G221-H224 PolarHBondContact N-ND1 2.96Å; G221-H224 VanDerWaalsContact O-CB 3.31Å; G221-H224 WeakPolarHBondContact O-CB 3.45Å; G221-H224 PolarHBondContact O-N 2.9Å
222	K	86.2	Confident	85.3	Confident	135 Å²	135	55.2 Å²	55.2	59%	0.587	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-31.3	-175.6	70.9	-177.3	-177.2	177.7	0	114.1	T188	T188-K222 PolarHBondContact N-O 2.64Å; T188-K222 WeakPolarHBondContact OG1-CB 3.36Å; T188-K222 PolarHBondContact OG1-O 2.92Å
223	D	88.8	Confident	85.1	Confident	116 Å²	116	57.6 Å²	57.6	62%	0.62	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-1.8	-176.3	-56.3	-50.4	0	0	0	112.6	G221 S225	G221-D223 PolarHBondContact O-N 3.43Å; G221-D223 VanDerWaalsContact O-N 3.14Å; D223-S225 PolarHBondContact O-N 2.78Å
224	H	90.4	Very high	84.2	Confident	44 Å²	44	58.9 Å²	58.9	20%	0.204	30%	0.299	C	S	.	.			trans	-65.7	123.7	175.1	-66.5	176.8	0	0	0	109.7	T186 I187 G221 F228 I229	T186-H224 CarbonylContact C-O 3.57Å; T186-H224 VanDerWaalsContact CA-O 3.23Å; T186-H224 WeakPolarHBondContact CA-O 3.43Å; I187-H224 HydrophobicContact CG1-CB 4.24Å; I187-H224 PolarHBondContact N-O 3.22Å; G221-H224 PolarHBondContact N-CE1 3.02Å; G221-H224 PolarHBondContact N-ND1 2.96Å; G221-H224 VanDerWaalsContact O-CB 3.31Å; G221-H224 WeakPolarHBondContact O-CB 3.45Å; G221-H224 PolarHBondContact O-N 2.9Å; H224-F228 HydrophobicContact CB-CD1 3.99Å; H224-F228 AromaticContact CD2-CD1 3.98Å; H224-F228 AromaticContact CD2-CE1 3.75Å; H224-F228 AromaticContact CE1-CE1 3.93Å; H224-F228 AromaticContact CG-CD1 3.81Å; H224-F228 AromaticContact CG-CE1 3.87Å; H224-F228 AromaticContact ND1-CE1 3.96Å; H224-F228 AromaticContact NE2-CE1 3.81Å; H224-I229 HydrophobicContact CB-CD1 3.9Å; H224-I229 HydrophobicContact CB-CG1 3.89Å
225	S	92.6	Very high	82.9	Confident	25 Å²	25	67.8 Å²	67.8	18%	0.175	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-75.8	155.1	166.8	67.1	0	0	0	0	110.7	A185 D223 K227 F228 I229	A185-S225 CarbonylContact O-C 3.54Å; A185-S225 WeakPolarHBondContact O-CA 3.48Å; D223-S225 PolarHBondContact O-N 2.78Å; S225-K227 VanDerWaalsContact C-N 3.25Å; S225-K227 PolarHBondContact O-N 3.25Å; S225-F228 WeakPolarHBondContact O-CB 3.46Å; S225-F228 PolarHBondContact O-N 2.99Å; S225-F228 VanDerWaalsContact O-N 3.08Å; S225-F228 WeakPolarHBondContact OG-CB 3.4Å; S225-F228 PolarHBondContact OG-N 3.06Å; S225-I229 WeakPolarHBondContact O-CD1 3.48Å; S225-I229 WeakPolarHBondContact O-CG1 3.41Å; S225-I229 PolarHBondContact O-N 2.85Å
226	L	90.6	Very high	81.1	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-59.3	-39.4	175.4	-67.8	172.2	0	0	0	111.9	V160 I162 C181 S183 A185 L190 F228 I229 T230 F255	V160-L226 HydrophobicContact CB-CD1 4.37Å; V160-L226 HydrophobicContact CG2-CB 4.44Å; I162-L226 HydrophobicContact CD1-CD1 3.48Å; I162-L226 VanDerWaalsContact CD1-CD1 3.48Å; I162-L226 HydrophobicContact CD1-CD2 3.74Å; I162-L226 HydrophobicContact CD1-CG 4.23Å; I162-L226 HydrophobicContact CG1-CD1 4.45Å; I162-L226 HydrophobicContact CG1-CD2 4.47Å; C181-L226 WeakPolarHBondContact SG-CD1 3.02Å; S183-L226 CarbonylContact O-C 3.58Å; S183-L226 WeakPolarHBondContact O-CB 3.18Å; S183-L226 PolarHBondContact O-N 3.35Å; A185-L226 HydrophobicContact CB-CD1 4.1Å; A185-L226 WeakPolarHBondContact O-CG 3.47Å; A185-L226 PolarHBondContact O-N 3.4Å; L190-L226 HydrophobicContact CD1-CD2 3.99Å; L226-F228 VanDerWaalsContact C-N 3.29Å; L226-F228 PolarHBondContact O-N 2.78Å; L226-I229 HydrophobicContact CD2-CD1 4.22Å; L226-I229 PolarHBondContact O-N 3.13Å; L226-I229 VanDerWaalsContact O-N 3.13Å; L226-T230 PolarHBondContact O-N 3.36Å; L226-T230 PolarHBondContact O-OG1 2.84Å; L226-F255 HydrophobicContact CD2-CE2 3.58Å; L226-F255 HydrophobicContact CD2-CZ 3.82Å
227	K	88.6	Confident	79.7	Confident	51 Å²	51	73.3 Å²	73.3	22%	0.222	37%	0.365	C	S	.	.	H	α-helix	trans	-58.2	-42.1	174	-167.2	166.7	-171.6	128.4	0	112.1	E158 S183 S225 R231	E158-K227 IonicContact OE2-NZ 2.75Å; E158-K227 PolarHBondContact OE2-NZ 3.44Å; S183-K227 WeakPolarHBondContact O-CB 3.47Å; S183-K227 PolarHBondContact O-N 2.82Å; S225-K227 VanDerWaalsContact C-N 3.25Å; S225-K227 PolarHBondContact O-N 3.25Å; K227-R231 WeakPolarHBondContact O-CB 3.48Å; K227-R231 WeakPolarHBondContact O-CG 3.49Å; K227-R231 PolarHBondContact O-N 3.14Å; K227-R231 VanDerWaalsContact O-N 3.1Å
228	F	90.2	Very high	77.9	Confident	91 Å²	91	76 Å²	76	40%	0.399	38%	0.378	S	S	.	.	H	α-helix	trans	-63.4	-45.7	175.1	174.8	-95.5	0	0	0	111.1	H224 S225 L226 R231 T232	H224-F228 HydrophobicContact CB-CD1 3.99Å; H224-F228 AromaticContact CD2-CD1 3.98Å; H224-F228 AromaticContact CD2-CE1 3.75Å; H224-F228 AromaticContact CE1-CE1 3.93Å; H224-F228 AromaticContact CG-CD1 3.81Å; H224-F228 AromaticContact CG-CE1 3.87Å; H224-F228 AromaticContact ND1-CE1 3.96Å; H224-F228 AromaticContact NE2-CE1 3.81Å; S225-F228 WeakPolarHBondContact O-CB 3.46Å; S225-F228 PolarHBondContact O-N 2.99Å; S225-F228 VanDerWaalsContact O-N 3.08Å; S225-F228 WeakPolarHBondContact OG-CB 3.4Å; S225-F228 PolarHBondContact OG-N 3.06Å; L226-F228 VanDerWaalsContact C-N 3.29Å; L226-F228 PolarHBondContact O-N 2.78Å; F228-R231 PolarHBondContact O-N 2.76Å; F228-T232 HydrophobicContact CD2-CG2 3.99Å; F228-T232 HydrophobicContact CE1-CG2 4.31Å; F228-T232 HydrophobicContact CE2-CG2 3.65Å; F228-T232 HydrophobicContact CG-CG2 4.46Å; F228-T232 HydrophobicContact CZ-CG2 3.83Å; F228-T232 WeakPolarHBondContact O-CB 3.41Å; F228-T232 WeakPolarHBondContact O-CG2 3.28Å; F228-T232 PolarHBondContact O-N 2.6Å; F228-T232 PolarHBondContact O-OG1 2.8Å
229	I	89	Confident	75.8	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-62.5	-46.7	179.3	-64.8	157	0	0	0	111	I187 C215 L220 H224 S225 L226 R231 T232 R233 W234 F255	I187-I229 HydrophobicContact CD1-CD1 3.48Å; I187-I229 VanDerWaalsContact CD1-CD1 3.48Å; I187-I229 HydrophobicContact CG1-CD1 3.71Å; C215-I229 HydrophobicContact CB-CG2 4.39Å; L220-I229 HydrophobicContact CD1-CD1 3.89Å; L220-I229 HydrophobicContact CD2-CD1 4.26Å; L220-I229 HydrophobicContact CD2-CG1 4.08Å; L220-I229 HydrophobicContact CD2-CG2 4.22Å; H224-I229 HydrophobicContact CB-CD1 3.9Å; H224-I229 HydrophobicContact CB-CG1 3.89Å; S225-I229 WeakPolarHBondContact O-CD1 3.48Å; S225-I229 WeakPolarHBondContact O-CG1 3.41Å; S225-I229 PolarHBondContact O-N 2.85Å; L226-I229 HydrophobicContact CD2-CD1 4.22Å; L226-I229 PolarHBondContact O-N 3.13Å; L226-I229 VanDerWaalsContact O-N 3.13Å; I229-R231 VanDerWaalsContact C-N 3.27Å; I229-R231 PolarHBondContact O-N 2.95Å; I229-T232 PolarHBondContact O-N 2.72Å; I229-R233 HydrophobicContact CG2-CB 4.39Å; I229-R233 PolarHBondContact O-N 2.89Å; I229-W234 PolarHBondContact O-N 2.68Å; I229-W234 VanDerWaalsContact O-N 3.16Å; I229-F255 HydrophobicContact CD1-CZ 4.47Å; I229-F255 HydrophobicContact CG2-CE1 3.98Å; I229-F255 HydrophobicContact CG2-CZ 4.03Å
230	T	83.7	Confident	73.6	Confident	45 Å²	45	75.8 Å²	75.8	28%	0.276	40%	0.403	S	S	.	.	H	α-helix	trans	-54.9	-43.9	174.8	-49.3	0	0	0	0	111.2	L226 W234 Q253	L226-T230 PolarHBondContact O-N 3.36Å; L226-T230 PolarHBondContact O-OG1 2.84Å; T230-W234 WeakPolarHBondContact O-CB 3.49Å; T230-Q253 PolarHBondContact OG1-NE2 3.32Å
231	R	83.9	Confident	71.1	Confident	166 Å²	166	80.5 Å²	80.5	63%	0.626	44%	0.436	S	S	*	.	H	α-helix	trans	-75.1	-32	-177	-76.2	-176.8	171.7	170.7	-3.5	114	K227 F228 I229	K227-R231 WeakPolarHBondContact O-CB 3.48Å; K227-R231 WeakPolarHBondContact O-CG 3.49Å; K227-R231 PolarHBondContact O-N 3.14Å; K227-R231 VanDerWaalsContact O-N 3.1Å; F228-R231 PolarHBondContact O-N 2.76Å; I229-R231 VanDerWaalsContact C-N 3.27Å; I229-R231 PolarHBondContact O-N 2.95Å
232	T	83.5	Confident	68.9	Low	72 Å²	72	81.4 Å²	81.4	44%	0.442	44%	0.438	S	S	.	.	H	α-helix	trans	-105.5	-41	-169	56.7	0	0	0	0	113.9	F228 I229	F228-T232 HydrophobicContact CD2-CG2 3.99Å; F228-T232 HydrophobicContact CE1-CG2 4.31Å; F228-T232 HydrophobicContact CE2-CG2 3.65Å; F228-T232 HydrophobicContact CG-CG2 4.46Å; F228-T232 HydrophobicContact CZ-CG2 3.83Å; F228-T232 WeakPolarHBondContact O-CB 3.41Å; F228-T232 WeakPolarHBondContact O-CG2 3.28Å; F228-T232 PolarHBondContact O-N 2.6Å; F228-T232 PolarHBondContact O-OG1 2.8Å; I229-T232 PolarHBondContact O-N 2.72Å
233	R	74.6	Confident	66.6	Low	71 Å²	71	80.7 Å²	80.7	27%	0.268	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-21.6	-169.5	-56.5	-134.2	-177	164.8	4	113.5	N216 E218 V219 I229	N216-R233 PolarHBondContact ND2-O 3.17Å; E218-R233 VanDerWaalsContact CB-NH1 3.34Å; E218-R233 VanDerWaalsContact OE2-CD 3.24Å; E218-R233 WeakPolarHBondContact OE2-CD 3.47Å; E218-R233 IonicContact OE2-CZ 3.77Å; E218-R233 VanDerWaalsContact OE2-CZ 3.25Å; E218-R233 IonicContact OE2-NE 3.21Å; E218-R233 PolarHBondContact OE2-NE 2.74Å; E218-R233 IonicContact OE2-NH1 2.8Å; E218-R233 PolarHBondContact OE2-NH1 3.19Å; V219-R233 PolarHBondContact O-NH1 2.93Å; V219-R233 VanDerWaalsContact O-NH1 3.14Å; I229-R233 HydrophobicContact CG2-CB 4.39Å; I229-R233 PolarHBondContact O-N 2.89Å
234	W	66	Low	64.2	Low	27 Å²	27	83.9 Å²	83.9	10%	0.102	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-82.2	-9.6	-178.8	-163	-95.2	0	0	0	114.5	I229 T230 N236 F252 Q253 F254	I229-W234 PolarHBondContact O-N 2.68Å; I229-W234 VanDerWaalsContact O-N 3.16Å; T230-W234 WeakPolarHBondContact O-CB 3.49Å; W234-N236 PolarHBondContact O-N 2.98Å; W234-F252 WeakPolarHBondContact CH2-O 3.31Å; W234-F252 WeakPolarHBondContact CZ2-O 3.24Å; W234-Q253 HydrophobicContact CD2-CG 3.95Å; W234-Q253 HydrophobicContact CE3-CB 4.21Å; W234-Q253 HydrophobicContact CE3-CG 3.78Å; W234-Q253 VanDerWaalsContact CH2-CA 3.5Å; W234-Q253 HydrophobicContact CH2-CB 4.37Å; W234-Q253 HydrophobicContact CH2-CG 4.41Å; W234-Q253 HydrophobicContact CZ3-CB 3.99Å; W234-Q253 HydrophobicContact CZ3-CG 4.03Å; W234-F254 HydrophobicContact CH2-CB 4.39Å; W234-F254 HydrophobicContact CH2-CD2 4.17Å
235	R	55.3	Low	61.7	Low	207 Å²	207	87.7 Å²	87.7	78%	0.781	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-62.3	-9.8	-174.2	-84.8	-177	172.7	-171.7	-2.3	115.9
236	N	45.1	Very low	58.9	Low	137 Å²	137	92.3 Å²	92.3	73%	0.733	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-111.2	18.3	-172.6	-69.5	-12.3	0	0	0	115.4	W234 V238	W234-N236 PolarHBondContact O-N 2.98Å; N236-V238 PolarHBondContact O-N 3.44Å
237	S	49.7	Very low	56.2	Low	59 Å²	59	96.2 Å²	96.2	41%	0.413	51%	0.514	S	S	.	.			trans	-77.5	56.9	172.9	68.2	0	0	0	0	112.3
238	V	39.2	Very low	53.6	Low	144 Å²	144	99.6 Å²	99.6	87%	0.873	54%	0.541	S	S	*	.			trans	-94	87.4	159	-168.5	0	0	0	0	105.3	N236	N236-V238 PolarHBondContact O-N 3.44Å
239	G	37.8	Very low	50.9	Low	77 Å²	77	101.1 Å²	101.1	79%	0.794	56%	0.558	S	S	*	*	S	Bend	trans	151.4	2.3	170.1	0	0	0	0	0	120.3
240	S	37.3	Very low	48.3	Very low	94 Å²	94	105 Å²	105	66%	0.657	58%	0.578	S	S	*	*			trans	-132.2	63.7	171.6	40.3	0	0	0	0	111.6	S242	S240-S242 PolarHBondContact O-N 3.14Å
241	S	35.7	Very low	46.3	Very low	102 Å²	102	107.4 Å²	107.4	71%	0.713	59%	0.593	S	S	*	*			trans	-60.6	100.7	156.3	51.8	0	0	0	0	108.4
242	S	39.2	Very low	44.4	Very low	46 Å²	46	101.5 Å²	101.5	32%	0.322	57%	0.572	S	S	.	*			trans	-60.8	128	156	174	0	0	0	0	107.6	S240 Y244 F245	S240-S242 PolarHBondContact O-N 3.14Å; S242-Y244 PolarHBondContact O-N 3.38Å; S242-F245 PolarHBondContact O-N 3.21Å
243	P	38	Very low	43.2	Very low	120 Å²	120	98.2 Å²	98.2	78%	0.779	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-0.2	-179.4	25.9	-32.6	0	0	0	113.5
244	Y	38.5	Very low	42.3	Very low	184 Å²	184	98.8 Å²	98.8	72%	0.722	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	-17	-178.3	-65.1	-73.1	0	0	0	114.9	S242	S242-Y244 PolarHBondContact O-N 3.38Å
245	F	37	Very low	42.2	Very low	123 Å²	123	97.5 Å²	97.5	54%	0.539	55%	0.551	S	S	.	*			trans	-152.8	87.9	-172.1	-69.5	-78.6	0	0	0	113.2	S242	S242-F245 PolarHBondContact O-N 3.21Å
246	T	33.3	Very low	42.4	Very low	122 Å²	122	92.3 Å²	92.3	75%	0.748	53%	0.531	S	S	*	.			trans	-108.3	81.9	161.5	53.6	0	0	0	0	108.7
247	H	34.2	Very low	43.1	Very low	82 Å²	82	86 Å²	86	38%	0.38	50%	0.498	S	S	.	.			trans	-106	125.6	167.5	-109.8	-64.1	0	0	0	109.4	V249 L250	H247-V249 PolarHBondContact O-N 3.26Å; H247-V249 VanDerWaalsContact O-N 3.1Å; H247-L250 PolarHBondContact O-N 3.04Å
248	P	33.4	Very low	43.3	Very low	122 Å²	122	84.7 Å²	84.7	79%	0.792	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	1.4	-177.1	28.4	-34.7	0	0	0	114.5
249	V	34.6	Very low	44	Very low	124 Å²	124	81.9 Å²	81.9	75%	0.752	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	-5.8	-177.7	-158	0	0	0	0	112.3	H247	H247-V249 PolarHBondContact O-N 3.26Å; H247-V249 VanDerWaalsContact O-N 3.1Å
250	L	33.4	Very low	44.6	Very low	80 Å²	80	84.2 Å²	84.2	42%	0.419	45%	0.447	S	S	.	.			trans	-133.2	82.3	-178.5	-68.1	169.8	0	0	0	109.1	H247 F252	H247-L250 PolarHBondContact O-N 3.04Å; L250-F252 HydrophobicContact CB-CD2 4.22Å; L250-F252 HydrophobicContact CB-CE2 3.93Å; L250-F252 HydrophobicContact CD1-CE2 4.36Å; L250-F252 WeakPolarHBondContact O-CD2 3.37Å; L250-F252 PolarHBondContact O-N 2.98Å
251	T	42.4	Very low	45.1	Very low	96 Å²	96	89.4 Å²	89.4	59%	0.589	48%	0.475	S	S	*	.			trans	-64.6	90.4	163.6	12.2	0	0	0	0	108	Q253	T251-Q253 PolarHBondContact O-N 3.31Å; T251-Q253 VanDerWaalsContact O-N 3.15Å
252	F	44.8	Very low	45.6	Very low	43 Å²	43	88.8 Å²	88.8	19%	0.189	46%	0.463	C	S	.	.			trans	-63.7	114.4	172.6	-83.4	-82	0	0	0	109.1	F163 Y178 W234 L250 F254	F163-F252 HydrophobicContact CB-CD1 4.24Å; Y178-F252 HydrophobicContact CD1-CD1 4.17Å; Y178-F252 AromaticContact CD1-CE1 3.59Å; Y178-F252 HydrophobicContact CD1-CE1 3.59Å; Y178-F252 HydrophobicContact CE1-CD1 4.11Å; Y178-F252 AromaticContact CE1-CE1 3.64Å; Y178-F252 HydrophobicContact CE1-CE1 3.64Å; Y178-F252 HydrophobicContact CE1-CZ 4.34Å; W234-F252 WeakPolarHBondContact CH2-O 3.31Å; W234-F252 WeakPolarHBondContact CZ2-O 3.24Å; L250-F252 HydrophobicContact CB-CD2 4.22Å; L250-F252 HydrophobicContact CB-CE2 3.93Å; L250-F252 HydrophobicContact CD1-CE2 4.36Å; L250-F252 WeakPolarHBondContact O-CD2 3.37Å; L250-F252 PolarHBondContact O-N 2.98Å; F252-F254 HydrophobicContact CB-CE2 4.24Å; F252-F254 PolarHBondContact O-N 3.16Å
253	Q	56.9	Low	45.9	Very low	2 Å²	2	91.1 Å²	91.1	1%	0.009	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	110.9	170.2	-69.2	-169.5	-28.5	0	0	109.3	V160 S161 I162 F163 T230 W234 T251 F255	V160-Q253 HydrophobicContact CG1-CG 4.38Å; S161-Q253 PolarHBondContact O-N 2.86Å; I162-Q253 HydrophobicContact CG1-CB 4.49Å; F163-Q253 PolarHBondContact N-O 2.96Å; T230-Q253 PolarHBondContact OG1-NE2 3.32Å; W234-Q253 HydrophobicContact CD2-CG 3.95Å; W234-Q253 HydrophobicContact CE3-CB 4.21Å; W234-Q253 HydrophobicContact CE3-CG 3.78Å; W234-Q253 VanDerWaalsContact CH2-CA 3.5Å; W234-Q253 HydrophobicContact CH2-CB 4.37Å; W234-Q253 HydrophobicContact CH2-CG 4.41Å; W234-Q253 HydrophobicContact CZ3-CB 3.99Å; W234-Q253 HydrophobicContact CZ3-CG 4.03Å; T251-Q253 PolarHBondContact O-N 3.31Å; T251-Q253 VanDerWaalsContact O-N 3.15Å; Q253-F255 HydrophobicContact CB-CE1 4.33Å; Q253-F255 HydrophobicContact CB-CE2 4.01Å; Q253-F255 HydrophobicContact CB-CZ 3.87Å; Q253-F255 PolarHBondContact O-N 2.96Å; Q253-F255 VanDerWaalsContact OE1-CZ 3.3Å
254	F	56	Low	46.4	Very low	84 Å²	84	89.4 Å²	89.4	37%	0.368	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	106.8	173.7	-73.5	-85	0	0	0	108.4	F163 W234 F252	F163-F254 HydrophobicContact CB-CD1 4.46Å; F163-F254 HydrophobicContact CB-CE1 4.46Å; F163-F254 AromaticContact CD1-CD1 3.58Å; F163-F254 HydrophobicContact CD1-CD1 3.58Å; F163-F254 AromaticContact CD1-CE1 3.48Å; F163-F254 HydrophobicContact CD1-CE1 3.48Å; F163-F254 VanDerWaalsContact CD1-CE1 3.48Å; F163-F254 HydrophobicContact CE1-CD1 4.32Å; F163-F254 HydrophobicContact CE1-CE1 4.05Å; F163-F254 HydrophobicContact CG-CD1 4.46Å; F163-F254 HydrophobicContact CG-CE1 4.29Å; W234-F254 HydrophobicContact CH2-CB 4.39Å; W234-F254 HydrophobicContact CH2-CD2 4.17Å; F252-F254 HydrophobicContact CB-CE2 4.24Å; F252-F254 PolarHBondContact O-N 3.16Å
255	F	65	Low	46.8	Very low	0 Å²	0	83.9 Å²	83.9	0%	0	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	126.8	170.7	-66.3	-44.1	0	0	0	110.4	I162 F163 F164 K165 L190 I213 L214 C215 L220 L226 I229 Q253	I162-F255 HydrophobicContact CB-CD2 4.41Å; I162-F255 HydrophobicContact CD1-CD2 4.28Å; I162-F255 HydrophobicContact CD1-CE2 3.88Å; I162-F255 HydrophobicContact CG1-CD2 4.15Å; I162-F255 HydrophobicContact CG1-CE2 3.81Å; I162-F255 HydrophobicContact CG2-CD2 3.41Å; I162-F255 VanDerWaalsContact CG2-CD2 3.41Å; I162-F255 HydrophobicContact CG2-CE2 3.99Å; I162-F255 HydrophobicContact CG2-CG 4.36Å; F163-F255 PolarHBondContact O-N 2.71Å; F164-F255 WeakPolarHBondContact CA-O 3.34Å; F164-F255 HydrophobicContact CD1-CB 4.18Å; F164-F255 HydrophobicContact CE1-CB 4.32Å; K165-F255 PolarHBondContact N-O 2.8Å; L190-F255 HydrophobicContact CD1-CD2 4.31Å; L190-F255 HydrophobicContact CD1-CE2 4.23Å; I213-F255 HydrophobicContact CG2-CB 3.65Å; I213-F255 HydrophobicContact CG2-CD1 4.28Å; I213-F255 HydrophobicContact CG2-CD2 4.25Å; I213-F255 HydrophobicContact CG2-CG 3.82Å; L214-F255 CarbonylContact O-C 3.57Å; L214-F255 VanDerWaalsContact O-CA 3.3Å; L214-F255 WeakPolarHBondContact O-CA 3.43Å; C215-F255 HydrophobicContact CB-CD1 3.85Å; C215-F255 HydrophobicContact CB-CE1 3.66Å; L220-F255 HydrophobicContact CD1-CD1 3.77Å; L220-F255 HydrophobicContact CD1-CE1 3.55Å; L220-F255 HydrophobicContact CD1-CZ 4.16Å; L226-F255 HydrophobicContact CD2-CE2 3.58Å; L226-F255 HydrophobicContact CD2-CZ 3.82Å; I229-F255 HydrophobicContact CD1-CZ 4.47Å; I229-F255 HydrophobicContact CG2-CE1 3.98Å; I229-F255 HydrophobicContact CG2-CZ 4.03Å; Q253-F255 HydrophobicContact CB-CE1 4.33Å; Q253-F255 HydrophobicContact CB-CE2 4.01Å; Q253-F255 HydrophobicContact CB-CZ 3.87Å; Q253-F255 PolarHBondContact O-N 2.96Å; Q253-F255 VanDerWaalsContact OE1-CZ 3.3Å
256	R	58.4	Low	47.4	Very low	97 Å²	97	81.4 Å²	81.4	37%	0.366	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	135	173.6	-102.3	175.1	155.6	171.7	-14.4	109.7	K165 D167 I213 L214	K165-R256 WeakPolarHBondContact O-CA 3.41Å; D167-R256 WeakPolarHBondContact OD1-CD 3.44Å; D167-R256 IonicContact OD1-CZ 3.92Å; D167-R256 IonicContact OD1-NE 2.8Å; D167-R256 PolarHBondContact OD1-NE 3.01Å; D167-R256 IonicContact OD1-NH1 3.34Å; D167-R256 IonicContact OD1-NH2 3.94Å; D167-R256 PolarHBondContact OD1-NH2 2.87Å; D167-R256 IonicContact OD2-NE 2.72Å; I213-R256 WeakPolarHBondContact CA-O 3.43Å; L214-R256 HydrophobicContact CB-CB 4.17Å; L214-R256 PolarHBondContact N-O 2.98Å; L214-R256 PolarHBondContact O-N 3.22Å
257	I	59.7	Low	48.4	Very low	5 Å²	5	78.7 Å²	78.7	3%	0.026	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	112.3	169.9	-57.4	172	0	0	0	106.7	F164 K165 L173 L194 F211 D212	F164-I257 HydrophobicContact CB-CD1 4.03Å; F164-I257 HydrophobicContact CD1-CD1 4.09Å; F164-I257 HydrophobicContact CD1-CG1 4.15Å; F164-I257 HydrophobicContact CG-CD1 4.25Å; K165-I257 PolarHBondContact O-N 3.08Å; L173-I257 HydrophobicContact CD2-CD1 4.23Å; L173-I257 HydrophobicContact CD2-CG2 4.29Å; L194-I257 HydrophobicContact CD1-CD1 3.63Å; L194-I257 HydrophobicContact CD1-CG1 3.91Å; L194-I257 HydrophobicContact CD2-CD1 3.66Å; L194-I257 HydrophobicContact CG-CD1 4.28Å; F211-I257 HydrophobicContact CB-CG2 3.79Å; F211-I257 HydrophobicContact CD2-CG2 4.07Å; F211-I257 HydrophobicContact CG-CG2 4.21Å; D212-I257 WeakPolarHBondContact O-CA 3.37Å
258	C	55.7	Low	49.4	Very low	31 Å²	31	78.5 Å²	78.5	21%	0.209	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.5	173.8	-165.6	0	0	0	0	108.6	F211 D212 L214	F211-C258 CarbonylContact C-O 3.58Å; F211-C258 WeakPolarHBondContact CA-O 3.4Å; D212-C258 PolarHBondContact N-O 3.1Å; D212-C258 PolarHBondContact O-N 3.2Å; L214-C258 HydrophobicContact CD1-CB 3.37Å
259	R	52.4	Low	50.6	Low	86 Å²	86	75.2 Å²	75.2	33%	0.325	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-90.7	138.5	173.4	-75.3	-172.8	149	146.8	-2	109.5	Y199 K210 F211	Y199-R259 PolarHBondContact OH-NE 2.75Å; Y199-R259 VanDerWaalsContact OH-NE 3.16Å; Y199-R259 PolarHBondContact OH-NH2 3.41Å; K210-R259 VanDerWaalsContact O-CA 3.3Å; K210-R259 WeakPolarHBondContact O-CA 3.47Å; K210-R259 WeakPolarHBondContact O-CG 3.47Å; F211-R259 HydrophobicContact CB-CG 4.21Å
260	Y	51.1	Low	51.9	Low	125 Å²	125	71.1 Å²	71.1	49%	0.49	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-98	124.6	164.1	-53.6	-86.9	0	0	0	107.5	S209 D212	S209-Y260 WeakPolarHBondContact O-CB 3.39Å; D212-Y260 HydrophobicContact CB-CE2 4.39Å; D212-Y260 WeakPolarHBondContact OD2-CE2 3.48Å
261	V	47.7	Very low	53.6	Low	204 Å²	204	70.3 Å²	70.3	100%	1.236	35%	0.346	S	S	*	.			trans	-79.9	0	174.9	-177.7	0	0	0	0	109.3

Retrieved 261 of 261 residues in 69.3 ms (Link to these results)

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