A0A087XUD5_POEFO Loading...

UBX domain protein 7

AlphaFold DB , UniProt , Accession A0A087XUD5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 564 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	35	Very low	37.1	Very low	234 Å²	234	133.2 Å²	133.2	100%	1.153	85%	0.845	S	S	*	*				0	89.4	0	-61.8	163.5	-179.8	0	0	105.4
2	I	37.6	Very low	36.6	Very low	150 Å²	150	139.3 Å²	139.3	77%	0.769	85%	0.85	S	S	*	*				56.1	103.5	72.1	-52.5	176.1	0	0	0	111.2
3	Q	40.3	Very low	36.5	Very low	197 Å²	197	135.2 Å²	135.2	92%	0.921	84%	0.839	S	S	*	*			trans	-141.6	114.6	143.1	-104.6	179	-1.5	0	0	107.8
4	N	39.8	Very low	37.1	Very low	157 Å²	157	133.8 Å²	133.8	84%	0.84	83%	0.833	S	S	*	*			trans	-87.4	139.6	172.1	-66.8	-33.7	0	0	0	108.9
5	A	37.3	Very low	36.9	Very low	107 Å²	107	137.6 Å²	137.6	88%	0.884	84%	0.836	S	S	*	*			trans	-155.7	97.5	161.8	0	0	0	0	0	112.1
6	A	37.6	Very low	36.6	Very low	98 Å²	98	139.4 Å²	139.4	81%	0.81	83%	0.833	S	S	*	*			trans	-142.5	132.4	154.9	0	0	0	0	0	107.7
7	P	51.4	Low	36.3	Very low	122 Å²	122	138.6 Å²	138.6	79%	0.792	83%	0.829	S	S	*	*			trans	-144.1	157.4	135.4	37.4	-23.1	0	0	0	114.7
8	A	34.4	Very low	36	Very low	90 Å²	90	140.6 Å²	140.6	74%	0.744	83%	0.834	S	S	*	*			trans	21.1	152.7	133	0	0	0	0	0	120.8
9	C	31.4	Very low	35.8	Very low	122 Å²	122	144.9 Å²	144.9	82%	0.824	83%	0.834	S	S	*	*			cis	-173.3	175.5	-2.1	-111.6	0	0	0	0	107.3
10	S	32.1	Very low	35.5	Very low	115 Å²	115	150.2 Å²	150.2	80%	0.804	84%	0.839	S	S	*	*			cis	-163	178.3	-10.5	53.6	0	0	0	0	107.6
11	G	31.2	Very low	35.4	Very low	73 Å²	73	152.2 Å²	152.2	75%	0.753	84%	0.84	S	S	*	*			trans	-170.9	105.7	177.1	0	0	0	0	0	117.4
12	F	31.6	Very low	35.3	Very low	206 Å²	206	151.6 Å²	151.6	90%	0.904	83%	0.825	S	S	*	*			trans	-11.3	116.3	162.4	-83.1	-102.9	0	0	0	120.9
13	A	35.3	Very low	35	Very low	86 Å²	86	150 Å²	150	71%	0.711	82%	0.824	S	S	*	*				63.5	-169.5	118.4	0	0	0	0	0	118
14	P	44.5	Very low	34.7	Very low	116 Å²	116	149.3 Å²	149.3	75%	0.753	82%	0.82	S	S	*	*				-123.7	161.8	-109.6	36.3	-18.7	0	0	0	115.1
15	H	33.5	Very low	34.1	Very low	191 Å²	191	147.8 Å²	147.8	88%	0.884	82%	0.821	S	S	*	*			trans	-147.4	129.6	155.7	-128.7	-77.3	0	0	0	113
16	Q	32.4	Very low	33.9	Very low	166 Å²	166	147 Å²	147	78%	0.776	81%	0.814	S	S	*	*			trans	-89.5	147.9	169.3	-71.2	-175.9	-10.4	0	0	110.9
17	T	31.2	Very low	33.5	Very low	126 Å²	126	148.3 Å²	148.3	77%	0.773	82%	0.816	S	S	*	*			trans	35.7	115.7	149.3	58.7	0	0	0	0	119.7
18	L	31.3	Very low	32.5	Very low	174 Å²	174	147.1 Å²	147.1	91%	0.911	82%	0.817	S	S	*	*				-143.7	144.8	123.1	-148.4	70.3	0	0	0	113
19	R	31.6	Very low	32.3	Very low	223 Å²	223	146.2 Å²	146.2	84%	0.842	81%	0.809	S	S	*	*			trans	-64.2	144.3	-174.7	-59.8	162	170.4	166.7	-5.9	112.6
20	R	31.3	Very low	32.2	Very low	250 Å²	250	148.4 Å²	148.4	94%	0.943	81%	0.812	S	S	*	*			trans	-122.9	139.3	141.5	-77.1	-169.5	169.4	-175	-3.1	109.7
21	K	33.3	Very low	31.9	Very low	194 Å²	194	152.8 Å²	152.8	84%	0.843	81%	0.812	S	S	*	*			trans	-90.7	160.4	-177.9	-75.7	-178.7	174.9	179.9	0	110.9
22	R	32.3	Very low	31.9	Very low	221 Å²	221	155 Å²	155	83%	0.834	81%	0.811	S	S	*	*			trans	-34.6	138.3	171.4	-55.6	172.6	179.5	172.4	-3.7	114
23	P	32	Very low	31.8	Very low	117 Å²	117	151.1 Å²	151.1	76%	0.76	80%	0.804	S	S	*	*			trans	-71.3	138.4	140.5	32.6	-29.9	0	0	0	109
24	Q	32.1	Very low	31.6	Very low	181 Å²	181	153.4 Å²	153.4	85%	0.846	81%	0.809	S	S	*	*			trans	-94.6	106.8	165.7	-72.1	172.8	-82.3	0	0	108	A26	Q24-A26 PolarHBondContact O-N 2.94Å
25	C	28.6	Very low	31	Very low	125 Å²	125	153.4 Å²	153.4	85%	0.845	81%	0.81	S	S	*	*			trans	-74.1	104.5	161.5	-66.3	0	0	0	0	107.2
26	A	32.2	Very low	30.9	Very low	91 Å²	91	147.8 Å²	147.8	75%	0.752	80%	0.803	S	S	*	*			trans	-70.1	139.2	179.9	0	0	0	0	0	110.6	Q24 A28	Q24-A26 PolarHBondContact O-N 2.94Å; A26-A28 PolarHBondContact O-N 3.13Å
27	C	29.4	Very low	30.8	Very low	125 Å²	125	143.3 Å²	143.3	85%	0.845	80%	0.802	S	S	*	*			trans	-62.3	122.5	166.5	-61.4	0	0	0	0	109	A29	C27-A29 PolarHBondContact O-N 2.98Å
28	A	29.8	Very low	31.1	Very low	97 Å²	97	147.1 Å²	147.1	80%	0.802	81%	0.808	S	S	*	*			trans	-73	81.1	169.1	0	0	0	0	0	109.3	A26 L30	A26-A28 PolarHBondContact O-N 3.13Å; A28-L30 PolarHBondContact O-N 2.98Å
29	A	31.9	Very low	31.1	Very low	71 Å²	71	147.4 Å²	147.4	59%	0.587	81%	0.807	S	S	*	*			trans	-64.4	121.3	169.4	0	0	0	0	0	109	C27 Y31	C27-A29 PolarHBondContact O-N 2.98Å; A29-Y31 VanDerWaalsContact C-N 3.26Å; A29-Y31 HydrophobicContact CB-CD2 4.37Å; A29-Y31 PolarHBondContact O-N 3.06Å
30	L	28.1	Very low	31	Very low	168 Å²	168	140.9 Å²	140.9	88%	0.88	80%	0.801	S	S	*	*			trans	-69.3	87	170.4	-100.1	74.7	0	0	0	109.4	A28 V32	A28-L30 PolarHBondContact O-N 2.98Å; L30-V32 PolarHBondContact O-N 2.83Å
31	Y	26.6	Very low	31.3	Very low	207 Å²	207	134 Å²	134	81%	0.812	80%	0.797	S	S	*	*			trans	-67.6	106.9	160.5	-95.8	-96.5	0	0	0	108.5	A29 V33	A29-Y31 VanDerWaalsContact C-N 3.26Å; A29-Y31 HydrophobicContact CB-CD2 4.37Å; A29-Y31 PolarHBondContact O-N 3.06Å; Y31-V33 PolarHBondContact O-N 3.15Å; Y31-V33 VanDerWaalsContact O-N 3.09Å
32	V	30.6	Very low	31.5	Very low	120 Å²	120	132.5 Å²	132.5	73%	0.727	80%	0.798	S	S	*	*			trans	-63.2	110.5	164.6	176.4	0	0	0	0	107.4	L30 V34	L30-V32 PolarHBondContact O-N 2.83Å; V32-V34 PolarHBondContact O-N 3.37Å
33	V	29.4	Very low	31.7	Very low	125 Å²	125	125.2 Å²	125.2	76%	0.758	79%	0.791	S	S	*	*			trans	-71.9	97	176.7	178.3	0	0	0	0	108.3	Y31 C35	Y31-V33 PolarHBondContact O-N 3.15Å; Y31-V33 VanDerWaalsContact O-N 3.09Å; V33-C35 VanDerWaalsContact C-N 3.28Å; V33-C35 PolarHBondContact O-N 2.97Å
34	V	31.1	Very low	31.8	Very low	134 Å²	134	126.9 Å²	126.9	81%	0.812	79%	0.793	S	S	*	*			trans	-68.1	90.1	169.4	-179.3	0	0	0	0	108.1	V32 G36	V32-V34 PolarHBondContact O-N 3.37Å; V34-G36 PolarHBondContact O-N 2.92Å
35	C	31.5	Very low	32.3	Very low	116 Å²	116	125.7 Å²	125.7	78%	0.784	80%	0.799	S	S	*	*			trans	-72.6	124.9	175.6	-159.3	0	0	0	0	109.2	V33 G37	V33-C35 VanDerWaalsContact C-N 3.28Å; V33-C35 PolarHBondContact O-N 2.97Å; C35-G37 PolarHBondContact O-N 3.12Å
36	G	33.2	Very low	33.2	Very low	72 Å²	72	124 Å²	124	74%	0.742	79%	0.788	S	S	*	*			trans	-72.1	80.8	-168	0	0	0	0	0	114.8	V34 K38	V34-G36 PolarHBondContact O-N 2.92Å; G36-K38 PolarHBondContact O-N 3.18Å
37	G	29	Very low	34.3	Very low	73 Å²	73	123.9 Å²	123.9	75%	0.753	79%	0.787	S	S	*	*			trans	-68.1	89.4	169.7	0	0	0	0	0	112.2	C35 M39	C35-G37 PolarHBondContact O-N 3.12Å; G37-M39 PolarHBondContact O-N 3.46Å; G37-M39 VanDerWaalsContact O-N 3.11Å
38	K	36.9	Very low	35.7	Very low	205 Å²	205	121.4 Å²	121.4	89%	0.891	77%	0.77	S	S	*	*			trans	-76.1	93.3	-178.6	-174.7	-178.1	-179.2	179.8	0	111.7	G36	G36-K38 PolarHBondContact O-N 3.18Å
39	M	31.8	Very low	37.6	Very low	181 Å²	181	119.2 Å²	119.2	89%	0.892	76%	0.757	S	S	*	*			trans	-110.2	154.1	166.2	-71.8	-64.7	-83.2	0	0	111.3	G37	G37-M39 PolarHBondContact O-N 3.46Å; G37-M39 VanDerWaalsContact O-N 3.11Å
40	A	30.8	Very low	39.7	Very low	86 Å²	86	119.1 Å²	119.1	71%	0.711	75%	0.748	S	S	*	*			trans	-80.3	144.1	-160.5	0	0	0	0	0	114.3	L42	A40-L42 PolarHBondContact O-N 2.91Å; A40-L42 VanDerWaalsContact O-N 3.14Å
41	A	37.5	Very low	42.4	Very low	105 Å²	105	116.4 Å²	116.4	87%	0.868	74%	0.735	S	S	*	*			trans	-78.4	90.9	165.9	0	0	0	0	0	110.2
42	L	36.8	Very low	45.4	Very low	163 Å²	163	107.9 Å²	107.9	85%	0.853	71%	0.71	S	S	*	*			trans	-133.8	136	155.1	-62.2	172.6	0	0	0	105.4	A40	A40-L42 PolarHBondContact O-N 2.91Å; A40-L42 VanDerWaalsContact O-N 3.14Å
43	G	36.6	Very low	48.2	Very low	67 Å²	67	103.5 Å²	103.5	69%	0.691	68%	0.682	S	S	*	*			cis	130.3	54.4	8.7	0	0	0	0	0	111.2
44	D	33.4	Very low	51.1	Low	152 Å²	152	97.8 Å²	97.8	81%	0.813	65%	0.647	S	S	*	*			trans	-163.9	115.7	160.2	-105.9	-28.4	0	0	0	111.1	S46	D44-S46 PolarHBondContact O-N 3.4Å; D44-S46 VanDerWaalsContact O-N 3.13Å
45	T	43.2	Very low	54	Low	156 Å²	156	97.6 Å²	97.6	96%	0.957	64%	0.637	S	S	*	*			trans	-86.4	64.5	170.3	52.7	0	0	0	0	110.3
46	S	47.6	Very low	56.7	Low	89 Å²	89	96.5 Å²	96.5	62%	0.622	62%	0.621	S	S	*	*			trans	-87.4	150	159	56.9	0	0	0	0	109.1	D44	D44-S46 PolarHBondContact O-N 3.4Å; D44-S46 VanDerWaalsContact O-N 3.13Å
47	A	54.8	Low	59.4	Low	89 Å²	89	93.1 Å²	93.1	74%	0.736	59%	0.586	S	S	*	*			trans	-58.8	136.8	169.7	0	0	0	0	0	108.6	G49	A47-G49 PolarHBondContact O-N 3.14Å
48	P	58	Low	62.3	Low	73 Å²	73	91.8 Å²	91.8	47%	0.474	56%	0.563	S	S	.	*			trans	-57.9	114.1	-176	23.4	-33.4	0	0	0	109.4	L53	P48-L53 HydrophobicContact CB-CD2 4.44Å; P48-L53 HydrophobicContact CB-CG 4.42Å; P48-L53 HydrophobicContact CG-CD2 3.89Å; P48-L53 HydrophobicContact CG-CG 4.29Å
49	G	70.7	Confident	64.8	Low	51 Å²	51	86.1 Å²	86.1	53%	0.526	56%	0.555	S	S	.	*			trans	-58.4	162.2	172.5	0	0	0	0	0	110.3	A47 N51 G52 L53	A47-G49 PolarHBondContact O-N 3.14Å; G49-N51 PolarHBondContact O-N 3.05Å; G49-G52 WeakPolarHBondContact O-CA 3.24Å; G49-G52 PolarHBondContact O-N 2.87Å; G49-L53 PolarHBondContact O-N 2.84Å
50	V	76.7	Confident	67.5	Low	69 Å²	69	82 Å²	82	42%	0.418	54%	0.536	S	S	.	.	H	α-helix	trans	-44.8	-42.5	-171	-176.8	0	0	0	0	113.1	G52 L53 I54 N77	V50-G52 VanDerWaalsContact C-N 3.34Å; V50-G52 PolarHBondContact O-N 3.44Å; V50-L53 PolarHBondContact O-N 2.8Å; V50-I54 HydrophobicContact CG1-CD1 3.86Å; V50-I54 HydrophobicContact CG1-CG1 4.36Å; V50-I54 VanDerWaalsContact O-CG1 3.28Å; V50-I54 WeakPolarHBondContact O-CG1 3.41Å; V50-I54 PolarHBondContact O-N 2.56Å; V50-N77 WeakPolarHBondContact CG1-OD1 3.21Å
51	N	83.3	Confident	70.2	Confident	112 Å²	112	79.1 Å²	79.1	60%	0.599	51%	0.509	S	S	*	.	H	α-helix	trans	-58.8	-37.6	177	-55.9	-5.5	0	0	0	114	G49 I54 Q55	G49-N51 PolarHBondContact O-N 3.05Å; N51-I54 PolarHBondContact O-N 3.09Å; N51-Q55 WeakPolarHBondContact O-CG 3.29Å; N51-Q55 PolarHBondContact O-N 3.34Å
52	G	89.4	Confident	72.5	Confident	27 Å²	27	77.4 Å²	77.4	28%	0.278	50%	0.501	S	S	.	.	H	α-helix	trans	-71.6	-36.4	176.2	0	0	0	0	0	112.7	G49 V50 Q55 Q56	G49-G52 WeakPolarHBondContact O-CA 3.24Å; G49-G52 PolarHBondContact O-N 2.87Å; V50-G52 VanDerWaalsContact C-N 3.34Å; V50-G52 PolarHBondContact O-N 3.44Å; G52-Q55 PolarHBondContact O-N 2.74Å; G52-Q56 WeakPolarHBondContact O-CB 3.33Å; G52-Q56 PolarHBondContact O-N 2.89Å
53	L	90.8	Very high	74.9	Confident	29 Å²	29	69.9 Å²	69.9	15%	0.152	46%	0.463	C	S	.	.	H	α-helix	trans	-65.5	-39.8	171.7	-66.3	171.7	0	0	0	111.2	P48 G49 V50 Q56 F57 L72 N77	P48-L53 HydrophobicContact CB-CD2 4.44Å; P48-L53 HydrophobicContact CB-CG 4.42Å; P48-L53 HydrophobicContact CG-CD2 3.89Å; P48-L53 HydrophobicContact CG-CG 4.29Å; G49-L53 PolarHBondContact O-N 2.84Å; V50-L53 PolarHBondContact O-N 2.8Å; L53-Q56 PolarHBondContact O-N 3.4Å; L53-F57 WeakPolarHBondContact O-CB 3.42Å; L53-F57 PolarHBondContact O-N 3.43Å; L53-L72 VanDerWaalsContact C-CD1 3.44Å; L53-L72 HydrophobicContact CB-CD1 3.93Å; L53-L72 HydrophobicContact CB-CD2 4.42Å; L53-N77 HydrophobicContact CD1-CB 3.99Å
54	I	90.8	Very high	77.5	Confident	4 Å²	4	69.7 Å²	69.7	2%	0.021	45%	0.448	C	S	.	.	H	α-helix	trans	-62.9	-45.8	175	-62.5	160.9	0	0	0	110.7	V50 N51 Q56 F57 T58 E65 K69 L72	V50-I54 HydrophobicContact CG1-CD1 3.86Å; V50-I54 HydrophobicContact CG1-CG1 4.36Å; V50-I54 VanDerWaalsContact O-CG1 3.28Å; V50-I54 WeakPolarHBondContact O-CG1 3.41Å; V50-I54 PolarHBondContact O-N 2.56Å; N51-I54 PolarHBondContact O-N 3.09Å; I54-Q56 VanDerWaalsContact C-N 3.3Å; I54-Q56 PolarHBondContact O-N 2.93Å; I54-F57 PolarHBondContact O-N 3.42Å; I54-T58 WeakPolarHBondContact O-CB 3.25Å; I54-T58 PolarHBondContact O-N 2.72Å; I54-E65 HydrophobicContact CG2-CB 4.36Å; I54-E65 HydrophobicContact CG2-CG 3.55Å; I54-E65 WeakPolarHBondContact CG2-O 3.2Å; I54-K69 HydrophobicContact CD1-CB 3.68Å; I54-K69 HydrophobicContact CD1-CD 4.44Å; I54-K69 HydrophobicContact CD1-CG 3.88Å; I54-K69 HydrophobicContact CG1-CB 4.18Å; I54-L72 HydrophobicContact CB-CD1 4.17Å; I54-L72 HydrophobicContact CG1-CD1 3.63Å
55	Q	90.5	Very high	80.1	Confident	130 Å²	130	68.3 Å²	68.3	61%	0.607	44%	0.437	S	S	*	.	H	α-helix	trans	-59.2	-41	174.8	-74.7	176.8	4.6	0	0	112	N51 G52 A59	N51-Q55 WeakPolarHBondContact O-CG 3.29Å; N51-Q55 PolarHBondContact O-N 3.34Å; G52-Q55 PolarHBondContact O-N 2.74Å; Q55-A59 VanDerWaalsContact O-CB 3.26Å; Q55-A59 WeakPolarHBondContact O-CB 3.24Å; Q55-A59 PolarHBondContact O-N 3.09Å
56	Q	88.2	Confident	82.2	Confident	94 Å²	94	63.5 Å²	63.5	44%	0.439	41%	0.41	S	S	.	.	H	α-helix	trans	-67.3	-39.7	176.6	-165.4	176.5	-15.2	0	0	112.1	G52 L53 I54 A59 I60 L79	G52-Q56 WeakPolarHBondContact O-CB 3.33Å; G52-Q56 PolarHBondContact O-N 2.89Å; L53-Q56 PolarHBondContact O-N 3.4Å; I54-Q56 VanDerWaalsContact C-N 3.3Å; I54-Q56 PolarHBondContact O-N 2.93Å; Q56-A59 PolarHBondContact O-N 3.23Å; Q56-I60 HydrophobicContact CG-CD1 4.06Å; Q56-I60 WeakPolarHBondContact O-CD1 3.33Å; Q56-I60 VanDerWaalsContact O-CG1 3.25Å; Q56-I60 WeakPolarHBondContact O-CG1 3.42Å; Q56-I60 PolarHBondContact O-N 2.9Å; Q56-I60 VanDerWaalsContact O-N 3.14Å; Q56-L79 HydrophobicContact CB-CD2 4.18Å; Q56-L79 HydrophobicContact CG-CD2 3.69Å; Q56-L79 VanDerWaalsContact NE2-CD2 3.35Å
57	F	90.9	Very high	84.1	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-61.7	-51.3	173.5	177.3	-85.3	0	0	0	111.9	L53 I54 A59 I60 T61 A63 M71 L72 L79 A82 V83 F86	L53-F57 WeakPolarHBondContact O-CB 3.42Å; L53-F57 PolarHBondContact O-N 3.43Å; I54-F57 PolarHBondContact O-N 3.42Å; F57-A59 VanDerWaalsContact C-N 3.29Å; F57-A59 PolarHBondContact O-N 3.45Å; F57-I60 PolarHBondContact O-N 2.92Å; F57-I60 VanDerWaalsContact O-N 3.1Å; F57-T61 HydrophobicContact CD1-CG2 4.42Å; F57-T61 WeakPolarHBondContact CD1-OG1 3.13Å; F57-T61 HydrophobicContact CD2-CG2 4.22Å; F57-T61 HydrophobicContact CE1-CG2 4.12Å; F57-T61 VanDerWaalsContact CE1-OG1 3.3Å; F57-T61 WeakPolarHBondContact CE1-OG1 3.33Å; F57-T61 HydrophobicContact CE2-CG2 3.88Å; F57-T61 HydrophobicContact CG-CG2 4.48Å; F57-T61 HydrophobicContact CZ-CG2 3.84Å; F57-T61 PolarHBondContact O-N 2.9Å; F57-T61 PolarHBondContact O-OG1 3.49Å; F57-A63 HydrophobicContact CE1-CB 3.83Å; F57-M71 HydrophobicContact CE2-CB 4.06Å; F57-M71 HydrophobicContact CE2-CG 4.01Å; F57-M71 HydrophobicContact CZ-CB 3.88Å; F57-M71 HydrophobicContact CZ-CG 4Å; F57-L72 HydrophobicContact CB-CD1 4.04Å; F57-L79 HydrophobicContact CB-CD1 3.68Å; F57-L79 HydrophobicContact CD2-CD1 4.26Å; F57-L79 HydrophobicContact CG-CD1 4.49Å; F57-A82 HydrophobicContact CD2-CB 3.99Å; F57-A82 HydrophobicContact CE2-CB 3.88Å; F57-V83 HydrophobicContact CD2-CG2 3.69Å; F57-V83 HydrophobicContact CE2-CG2 4.09Å; F57-F86 HydrophobicContact CE2-CB 4.19Å; F57-F86 HydrophobicContact CZ-CB 3.78Å; F57-F86 HydrophobicContact CZ-CD1 4.45Å; F57-F86 HydrophobicContact CZ-CD2 4.29Å; F57-F86 AromaticContact CZ-CG 3.91Å; F57-F86 HydrophobicContact CZ-CG 3.91Å
58	T	88.8	Confident	85.7	Confident	45 Å²	45	56.2 Å²	56.2	28%	0.276	35%	0.352	S	S	.	.	H	α-helix	trans	-60.7	-38	178.1	-78.8	0	0	0	0	111.5	I54 I60 G62 A63	I54-T58 WeakPolarHBondContact O-CB 3.25Å; I54-T58 PolarHBondContact O-N 2.72Å; T58-I60 VanDerWaalsContact C-N 3.31Å; T58-I60 PolarHBondContact O-N 3.44Å; T58-G62 WeakPolarHBondContact O-CA 3.32Å; T58-G62 PolarHBondContact O-N 2.94Å; T58-A63 WeakPolarHBondContact CB-O 3.5Å; T58-A63 VanDerWaalsContact CG2-O 3.23Å; T58-A63 WeakPolarHBondContact CG2-O 3.31Å; T58-A63 PolarHBondContact OG1-O 3.02Å
59	A	90	Very high	87.3	Confident	87 Å²	87	58.1 Å²	58.1	72%	0.719	35%	0.353	S	S	*	.	H	α-helix	trans	-68.3	-25.7	175.8	0	0	0	0	0	114.1	Q55 Q56 F57	Q55-A59 VanDerWaalsContact O-CB 3.26Å; Q55-A59 WeakPolarHBondContact O-CB 3.24Å; Q55-A59 PolarHBondContact O-N 3.09Å; Q56-A59 PolarHBondContact O-N 3.23Å; F57-A59 VanDerWaalsContact C-N 3.29Å; F57-A59 PolarHBondContact O-N 3.45Å
60	I	88.6	Confident	88.1	Confident	95 Å²	95	61.8 Å²	61.8	49%	0.487	36%	0.356	S	S	.	.	H	α-helix	trans	-89.1	-40.3	178.7	-69.2	165.8	0	0	0	111.8	Q56 F57 T58 L79 V83	Q56-I60 HydrophobicContact CG-CD1 4.06Å; Q56-I60 WeakPolarHBondContact O-CD1 3.33Å; Q56-I60 VanDerWaalsContact O-CG1 3.25Å; Q56-I60 WeakPolarHBondContact O-CG1 3.42Å; Q56-I60 PolarHBondContact O-N 2.9Å; Q56-I60 VanDerWaalsContact O-N 3.14Å; F57-I60 PolarHBondContact O-N 2.92Å; F57-I60 VanDerWaalsContact O-N 3.1Å; T58-I60 VanDerWaalsContact C-N 3.31Å; T58-I60 PolarHBondContact O-N 3.44Å; I60-L79 HydrophobicContact CD1-CD2 4.37Å; I60-V83 HydrophobicContact CG2-CG1 3.84Å; I60-V83 HydrophobicContact CG2-CG2 4.11Å
61	T	87.9	Confident	88.6	Confident	24 Å²	24	59.9 Å²	59.9	15%	0.147	34%	0.343	C	S	.	.	H	α-helix	trans	-99.5	-18.8	-171.1	59.2	0	0	0	0	114.4	F57 A63 V83 F86	F57-T61 HydrophobicContact CD1-CG2 4.42Å; F57-T61 WeakPolarHBondContact CD1-OG1 3.13Å; F57-T61 HydrophobicContact CD2-CG2 4.22Å; F57-T61 HydrophobicContact CE1-CG2 4.12Å; F57-T61 VanDerWaalsContact CE1-OG1 3.3Å; F57-T61 WeakPolarHBondContact CE1-OG1 3.33Å; F57-T61 HydrophobicContact CE2-CG2 3.88Å; F57-T61 HydrophobicContact CG-CG2 4.48Å; F57-T61 HydrophobicContact CZ-CG2 3.84Å; F57-T61 PolarHBondContact O-N 2.9Å; F57-T61 PolarHBondContact O-OG1 3.49Å; T61-A63 PolarHBondContact O-N 2.92Å; T61-A63 WeakPolarHBondContact OG1-CB 3.41Å; T61-A63 PolarHBondContact OG1-N 3.27Å; T61-V83 HydrophobicContact CG2-CB 4.47Å; T61-V83 HydrophobicContact CG2-CG1 4.24Å; T61-V83 HydrophobicContact CG2-CG2 4.07Å; T61-F86 HydrophobicContact CG2-CD1 3.71Å; T61-F86 HydrophobicContact CG2-CE1 4.31Å; T61-F86 HydrophobicContact CG2-CG 4.41Å
62	G	86.1	Confident	89	Confident	69 Å²	69	54.6 Å²	54.6	71%	0.711	32%	0.315	S	S	*	.			trans	73.1	2.7	-170.5	0	0	0	0	0	114.7	T58	T58-G62 WeakPolarHBondContact O-CA 3.32Å; T58-G62 PolarHBondContact O-N 2.94Å
63	A	86.7	Confident	89	Confident	5 Å²	5	59 Å²	59	4%	0.041	33%	0.328	C	S	.	.			trans	-75.8	155.6	-178.6	0	0	0	0	0	113	F57 T58 T61 V67 F86	F57-A63 HydrophobicContact CE1-CB 3.83Å; T58-A63 WeakPolarHBondContact CB-O 3.5Å; T58-A63 VanDerWaalsContact CG2-O 3.23Å; T58-A63 WeakPolarHBondContact CG2-O 3.31Å; T58-A63 PolarHBondContact OG1-O 3.02Å; T61-A63 PolarHBondContact O-N 2.92Å; T61-A63 WeakPolarHBondContact OG1-CB 3.41Å; T61-A63 PolarHBondContact OG1-N 3.27Å; A63-V67 HydrophobicContact CB-CB 4.35Å; A63-V67 HydrophobicContact CB-CG1 4.12Å; A63-F86 HydrophobicContact CB-CE1 4.19Å; A63-F86 HydrophobicContact CB-CE2 3.94Å; A63-F86 HydrophobicContact CB-CZ 3.71Å
64	T	90.1	Very high	88.7	Confident	63 Å²	63	60.5 Å²	60.5	39%	0.387	35%	0.345	S	S	.	.			trans	-62.8	152.6	176.9	47.9	0	0	0	0	112.6	S66 V67 G68 E95	T64-S66 WeakPolarHBondContact CB-OG 3.41Å; T64-S66 PolarHBondContact O-N 3.45Å; T64-S66 PolarHBondContact OG1-OG 3.03Å; T64-V67 PolarHBondContact O-N 3.21Å; T64-V67 WeakPolarHBondContact OG1-CG2 3.24Å; T64-G68 PolarHBondContact O-N 3.1Å; T64-E95 PolarHBondContact OG1-OE1 3.27Å
65	E	88.3	Confident	88.6	Confident	123 Å²	123	61.2 Å²	61.2	58%	0.575	35%	0.35	S	S	*	.	H	α-helix	trans	-59	-32.5	-178.7	-165.8	179.1	176.2	0	0	112.3	I54 K69	I54-E65 HydrophobicContact CG2-CB 4.36Å; I54-E65 HydrophobicContact CG2-CG 3.55Å; I54-E65 WeakPolarHBondContact CG2-O 3.2Å; E65-K69 WeakPolarHBondContact O-CB 3.42Å; E65-K69 PolarHBondContact O-N 3.2Å
66	S	88.2	Confident	88.5	Confident	55 Å²	55	62 Å²	62	39%	0.385	36%	0.359	S	S	.	.	H	α-helix	trans	-58.1	-53.2	170.2	41.3	0	0	0	0	112.6	T64 K69 H70 E95	T64-S66 WeakPolarHBondContact CB-OG 3.41Å; T64-S66 PolarHBondContact O-N 3.45Å; T64-S66 PolarHBondContact OG1-OG 3.03Å; S66-K69 PolarHBondContact O-N 3.44Å; S66-H70 PolarHBondContact O-N 3.24Å; S66-H70 VanDerWaalsContact O-N 3.09Å; S66-E95 PolarHBondContact OG-OE1 3.29Å
67	V	87.5	Confident	88.5	Confident	25 Å²	25	60.7 Å²	60.7	15%	0.152	35%	0.354	C	S	.	.	H	α-helix	trans	-66.2	-42.5	178.2	173	0	0	0	0	110.7	A63 T64 K69 H70 M71 F86	A63-V67 HydrophobicContact CB-CB 4.35Å; A63-V67 HydrophobicContact CB-CG1 4.12Å; T64-V67 PolarHBondContact O-N 3.21Å; T64-V67 WeakPolarHBondContact OG1-CG2 3.24Å; V67-K69 PolarHBondContact O-N 2.94Å; V67-H70 PolarHBondContact O-N 3.3Å; V67-M71 HydrophobicContact CG1-CE 4.35Å; V67-M71 WeakPolarHBondContact O-CB 3.33Å; V67-M71 PolarHBondContact O-N 3.49Å; V67-F86 HydrophobicContact CG1-CD2 4.14Å; V67-F86 HydrophobicContact CG1-CE2 3.97Å
68	G	89.2	Confident	88.4	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-61.5	-41.7	177	0	0	0	0	0	113.2	T64 L72	T64-G68 PolarHBondContact O-N 3.1Å; G68-L72 WeakPolarHBondContact O-CB 3.3Å; G68-L72 WeakPolarHBondContact O-CD1 3.49Å; G68-L72 WeakPolarHBondContact O-CG 3.42Å; G68-L72 PolarHBondContact O-N 2.97Å
69	K	89.9	Confident	88.4	Confident	113 Å²	113	62.6 Å²	62.6	49%	0.491	36%	0.363	S	S	.	.	H	α-helix	trans	-58.9	-50.5	171.4	-177.7	177.4	175	-172.3	0	111.7	I54 E65 S66 V67 M71 L72 E73	I54-K69 HydrophobicContact CD1-CB 3.68Å; I54-K69 HydrophobicContact CD1-CD 4.44Å; I54-K69 HydrophobicContact CD1-CG 3.88Å; I54-K69 HydrophobicContact CG1-CB 4.18Å; E65-K69 WeakPolarHBondContact O-CB 3.42Å; E65-K69 PolarHBondContact O-N 3.2Å; S66-K69 PolarHBondContact O-N 3.44Å; V67-K69 PolarHBondContact O-N 2.94Å; K69-M71 PolarHBondContact O-N 2.73Å; K69-L72 PolarHBondContact O-N 3.31Å; K69-E73 VanDerWaalsContact O-CB 3.25Å; K69-E73 WeakPolarHBondContact O-CB 3.28Å; K69-E73 PolarHBondContact O-N 2.63Å
70	H	87.4	Confident	88.4	Confident	129 Å²	129	64.5 Å²	64.5	60%	0.597	36%	0.357	S	S	*	.	H	α-helix	trans	-62.8	-42	-177.8	-175.2	53.5	0	0	0	112.3	S66 V67 E73 A74	S66-H70 PolarHBondContact O-N 3.24Å; S66-H70 VanDerWaalsContact O-N 3.09Å; V67-H70 PolarHBondContact O-N 3.3Å; H70-E73 PolarHBondContact O-N 2.97Å; H70-A74 WeakPolarHBondContact O-CB 3.42Å; H70-A74 PolarHBondContact O-N 3.03Å
71	M	87.6	Confident	88.3	Confident	29 Å²	29	65.4 Å²	65.4	14%	0.143	36%	0.36	C	S	.	.	H	α-helix	trans	-67.5	-41.8	179.9	-152.3	65.7	57.8	0	0	112	F57 V67 K69 C75 A82 M85 F86	F57-M71 HydrophobicContact CE2-CB 4.06Å; F57-M71 HydrophobicContact CE2-CG 4.01Å; F57-M71 HydrophobicContact CZ-CB 3.88Å; F57-M71 HydrophobicContact CZ-CG 4Å; V67-M71 HydrophobicContact CG1-CE 4.35Å; V67-M71 WeakPolarHBondContact O-CB 3.33Å; V67-M71 PolarHBondContact O-N 3.49Å; K69-M71 PolarHBondContact O-N 2.73Å; M71-C75 WeakPolarHBondContact O-CB 3.46Å; M71-C75 PolarHBondContact O-N 3.49Å; M71-C75 VanDerWaalsContact O-N 3.08Å; M71-C75 PolarHBondContact O-SG 2.77Å; M71-A82 HydrophobicContact CB-CB 4.22Å; M71-A82 HydrophobicContact CG-CB 3.87Å; M71-A82 WeakPolarHBondContact CG-O 3.48Å; M71-M85 HydrophobicContact CG-CE 4.4Å; M71-M85 HydrophobicContact SD-CB 4.43Å; M71-M85 HydrophobicContact SD-CE 3.39Å; M71-M85 WeakPolarHBondContact SD-CE 3.44Å; M71-M85 HydrophobicContact SD-CG 4.36Å; M71-F86 HydrophobicContact CE-CB 4.43Å; M71-F86 HydrophobicContact CE-CD2 4.14Å; M71-F86 HydrophobicContact CG-CB 4.39Å
72	L	91.8	Very high	88.3	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-66.6	-41.1	174	-76.7	163.9	0	0	0	111.9	L53 I54 F57 G68 K69 C75 N76 N77 L79 A82	L53-L72 VanDerWaalsContact C-CD1 3.44Å; L53-L72 HydrophobicContact CB-CD1 3.93Å; L53-L72 HydrophobicContact CB-CD2 4.42Å; I54-L72 HydrophobicContact CB-CD1 4.17Å; I54-L72 HydrophobicContact CG1-CD1 3.63Å; F57-L72 HydrophobicContact CB-CD1 4.04Å; G68-L72 WeakPolarHBondContact O-CB 3.3Å; G68-L72 WeakPolarHBondContact O-CD1 3.49Å; G68-L72 WeakPolarHBondContact O-CG 3.42Å; G68-L72 PolarHBondContact O-N 2.97Å; K69-L72 PolarHBondContact O-N 3.31Å; L72-C75 CarbonylContact O-C 3.35Å; L72-C75 PolarHBondContact O-N 2.88Å; L72-C75 VanDerWaalsContact O-N 3.15Å; L72-N76 PolarHBondContact O-N 2.74Å; L72-N76 VanDerWaalsContact O-N 3.14Å; L72-N77 WeakPolarHBondContact O-CA 3.07Å; L72-N77 PolarHBondContact O-N 2.78Å; L72-L79 HydrophobicContact CD2-CB 4.31Å; L72-L79 HydrophobicContact CD2-CD1 4.23Å; L72-A82 HydrophobicContact CD2-CB 4.01Å; L72-A82 HydrophobicContact CG-CB 4.25Å
73	E	88.9	Confident	88.5	Confident	120 Å²	120	61.9 Å²	61.9	56%	0.561	33%	0.325	S	S	*	.	H	α-helix	trans	-62.8	-42.2	177.2	-171.1	163.1	-164.7	0	0	111.3	K69 H70 C75 N76	K69-E73 VanDerWaalsContact O-CB 3.25Å; K69-E73 WeakPolarHBondContact O-CB 3.28Å; K69-E73 PolarHBondContact O-N 2.63Å; H70-E73 PolarHBondContact O-N 2.97Å; E73-C75 VanDerWaalsContact C-N 3.29Å; E73-C75 PolarHBondContact O-N 3.39Å; E73-N76 PolarHBondContact O-N 2.63Å
74	A	85	Confident	88.5	Confident	61 Å²	61	65.9 Å²	65.9	50%	0.504	35%	0.349	S	S	.	.	H	α-helix	trans	-65	-28.1	173.1	0	0	0	0	0	113.8	H70 M85	H70-A74 WeakPolarHBondContact O-CB 3.42Å; H70-A74 PolarHBondContact O-N 3.03Å; A74-M85 HydrophobicContact CB-CE 4.3Å
75	C	88.7	Confident	88.2	Confident	19 Å²	19	67.3 Å²	67.3	13%	0.128	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	20.4	177.4	-65.5	0	0	0	0	113.8	M71 L72 E73 N77 N78 M81 A82	M71-C75 WeakPolarHBondContact O-CB 3.46Å; M71-C75 PolarHBondContact O-N 3.49Å; M71-C75 VanDerWaalsContact O-N 3.08Å; M71-C75 PolarHBondContact O-SG 2.77Å; L72-C75 CarbonylContact O-C 3.35Å; L72-C75 PolarHBondContact O-N 2.88Å; L72-C75 VanDerWaalsContact O-N 3.15Å; E73-C75 VanDerWaalsContact C-N 3.29Å; E73-C75 PolarHBondContact O-N 3.39Å; C75-N77 PolarHBondContact O-N 3.19Å; C75-N78 VanDerWaalsContact O-CB 3.25Å; C75-N78 WeakPolarHBondContact O-CB 3.43Å; C75-N78 PolarHBondContact O-N 3.25Å; C75-M81 HydrophobicContact CB-CB 4.21Å; C75-M81 HydrophobicContact CB-CG 4.35Å; C75-A82 HydrophobicContact CB-CB 4.09Å
76	N	89.1	Confident	88.2	Confident	147 Å²	147	62.5 Å²	62.5	79%	0.786	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	35.5	-179	-70.4	6.4	0	0	0	114.3	L72 E73 N78	L72-N76 PolarHBondContact O-N 2.74Å; L72-N76 VanDerWaalsContact O-N 3.14Å; E73-N76 PolarHBondContact O-N 2.63Å; N76-N78 VanDerWaalsContact C-N 3.29Å; N76-N78 PolarHBondContact O-N 2.91Å
77	N	87.9	Confident	88	Confident	66 Å²	66	65 Å²	65	35%	0.353	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	18	-173.9	-50.9	-85.8	0	0	0	115.1	V50 L53 L72 C75 L79	V50-N77 WeakPolarHBondContact CG1-OD1 3.21Å; L53-N77 HydrophobicContact CD1-CB 3.99Å; L72-N77 WeakPolarHBondContact O-CA 3.07Å; L72-N77 PolarHBondContact O-N 2.78Å; C75-N77 PolarHBondContact O-N 3.19Å; N77-L79 PolarHBondContact O-N 2.81Å
78	N	88.9	Confident	87.8	Confident	74 Å²	74	71.1 Å²	71.1	40%	0.396	37%	0.37	S	S	.	.			trans	-77.7	111.8	168	-171.9	-80.7	0	0	0	110.1	C75 N76 E80 M81 A82	C75-N78 VanDerWaalsContact O-CB 3.25Å; C75-N78 WeakPolarHBondContact O-CB 3.43Å; C75-N78 PolarHBondContact O-N 3.25Å; N76-N78 VanDerWaalsContact C-N 3.29Å; N76-N78 PolarHBondContact O-N 2.91Å; N78-E80 PolarHBondContact OD1-N 2.82Å; N78-M81 HydrophobicContact CB-CB 4.15Å; N78-M81 WeakPolarHBondContact OD1-CB 3.35Å; N78-M81 PolarHBondContact OD1-N 3.32Å; N78-A82 WeakPolarHBondContact O-CB 3.33Å; N78-A82 PolarHBondContact O-N 3.32Å
79	L	88.5	Confident	87	Confident	10 Å²	10	74 Å²	74	5%	0.052	40%	0.4	C	S	.	.	H	α-helix	trans	-67.6	-45.6	-175.1	176	65.3	0	0	0	112.1	Q56 F57 I60 L72 N77 M81 A82 V83	Q56-L79 HydrophobicContact CB-CD2 4.18Å; Q56-L79 HydrophobicContact CG-CD2 3.69Å; Q56-L79 VanDerWaalsContact NE2-CD2 3.35Å; F57-L79 HydrophobicContact CB-CD1 3.68Å; F57-L79 HydrophobicContact CD2-CD1 4.26Å; F57-L79 HydrophobicContact CG-CD1 4.49Å; I60-L79 HydrophobicContact CD1-CD2 4.37Å; L72-L79 HydrophobicContact CD2-CB 4.31Å; L72-L79 HydrophobicContact CD2-CD1 4.23Å; N77-L79 PolarHBondContact O-N 2.81Å; L79-M81 PolarHBondContact O-N 3.02Å; L79-A82 PolarHBondContact O-N 2.98Å; L79-V83 HydrophobicContact CD1-CG2 4.02Å; L79-V83 HydrophobicContact CG-CG2 4.39Å; L79-V83 WeakPolarHBondContact O-CG2 3.44Å; L79-V83 PolarHBondContact O-N 2.98Å
80	E	89.6	Confident	85.6	Confident	127 Å²	127	71.3 Å²	71.3	59%	0.593	40%	0.404	S	S	*	.	H	α-helix	trans	-61.1	-47.2	-176.6	-65.5	70.7	-158	0	0	110.9	N78 V83 T84	N78-E80 PolarHBondContact OD1-N 2.82Å; E80-V83 PolarHBondContact O-N 2.72Å; E80-T84 PolarHBondContact O-N 2.89Å; E80-T84 PolarHBondContact O-OG1 2.84Å; E80-T84 VanDerWaalsContact O-OG1 3.1Å
81	M	86.1	Confident	84.2	Confident	114 Å²	114	67.1 Å²	67.1	56%	0.562	40%	0.396	S	S	*	.	H	α-helix	trans	-63.3	-42.1	177.2	-166.6	66.6	62.4	0	0	112	C75 N78 L79 T84 M85	C75-M81 HydrophobicContact CB-CB 4.21Å; C75-M81 HydrophobicContact CB-CG 4.35Å; N78-M81 HydrophobicContact CB-CB 4.15Å; N78-M81 WeakPolarHBondContact OD1-CB 3.35Å; N78-M81 PolarHBondContact OD1-N 3.32Å; L79-M81 PolarHBondContact O-N 3.02Å; M81-T84 PolarHBondContact O-N 3.19Å; M81-M85 WeakPolarHBondContact O-CB 3.42Å; M81-M85 PolarHBondContact O-N 2.98Å
82	A	89	Confident	82.1	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	43%	0.427	C	S	.	.	H	α-helix	trans	-62.9	-45.6	176.9	0	0	0	0	0	111.4	F57 M71 L72 C75 N78 L79 M85 F86	F57-A82 HydrophobicContact CD2-CB 3.99Å; F57-A82 HydrophobicContact CE2-CB 3.88Å; M71-A82 HydrophobicContact CB-CB 4.22Å; M71-A82 HydrophobicContact CG-CB 3.87Å; M71-A82 WeakPolarHBondContact CG-O 3.48Å; L72-A82 HydrophobicContact CD2-CB 4.01Å; L72-A82 HydrophobicContact CG-CB 4.25Å; C75-A82 HydrophobicContact CB-CB 4.09Å; N78-A82 WeakPolarHBondContact O-CB 3.33Å; N78-A82 PolarHBondContact O-N 3.32Å; L79-A82 PolarHBondContact O-N 2.98Å; A82-M85 PolarHBondContact O-N 3.01Å; A82-F86 WeakPolarHBondContact O-CB 3.08Å; A82-F86 PolarHBondContact O-N 2.9Å
83	V	89.4	Confident	80.1	Confident	20 Å²	20	76.9 Å²	76.9	12%	0.121	46%	0.455	C	S	.	.	H	α-helix	trans	-62.4	-44.9	177.6	170.1	0	0	0	0	110.7	F57 I60 T61 L79 E80 F86 L87	F57-V83 HydrophobicContact CD2-CG2 3.69Å; F57-V83 HydrophobicContact CE2-CG2 4.09Å; I60-V83 HydrophobicContact CG2-CG1 3.84Å; I60-V83 HydrophobicContact CG2-CG2 4.11Å; T61-V83 HydrophobicContact CG2-CB 4.47Å; T61-V83 HydrophobicContact CG2-CG1 4.24Å; T61-V83 HydrophobicContact CG2-CG2 4.07Å; L79-V83 HydrophobicContact CD1-CG2 4.02Å; L79-V83 HydrophobicContact CG-CG2 4.39Å; L79-V83 WeakPolarHBondContact O-CG2 3.44Å; L79-V83 PolarHBondContact O-N 2.98Å; E80-V83 PolarHBondContact O-N 2.72Å; V83-F86 PolarHBondContact O-N 3.37Å; V83-L87 HydrophobicContact CG1-CD1 3.81Å; V83-L87 HydrophobicContact CG1-CG 4.46Å; V83-L87 WeakPolarHBondContact O-CB 3.27Å; V83-L87 VanDerWaalsContact O-CG 3.31Å; V83-L87 WeakPolarHBondContact O-CG 3.4Å; V83-L87 PolarHBondContact O-N 3.43Å; V83-L87 VanDerWaalsContact O-N 3.09Å
84	T	88.3	Confident	77.8	Confident	88 Å²	88	79 Å²	79	54%	0.54	47%	0.465	S	S	.	.	H	α-helix	trans	-59.6	-48.8	174.9	-61.1	0	0	0	0	111.4	E80 M81 F86 L87 D88	E80-T84 PolarHBondContact O-N 2.89Å; E80-T84 PolarHBondContact O-OG1 2.84Å; E80-T84 VanDerWaalsContact O-OG1 3.1Å; M81-T84 PolarHBondContact O-N 3.19Å; T84-F86 VanDerWaalsContact C-N 3.33Å; T84-F86 PolarHBondContact O-N 3.23Å; T84-L87 PolarHBondContact O-N 3.37Å; T84-D88 VanDerWaalsContact O-CB 3.3Å; T84-D88 WeakPolarHBondContact O-CB 3.46Å; T84-D88 PolarHBondContact O-N 2.77Å
85	M	83.9	Confident	75.5	Confident	93 Å²	93	81.1 Å²	81.1	46%	0.458	47%	0.465	S	S	.	.	H	α-helix	trans	-64.9	-34.1	-177.9	-168.1	164.8	75.2	0	0	113	M71 A74 M81 A82 G89	M71-M85 HydrophobicContact CG-CE 4.4Å; M71-M85 HydrophobicContact SD-CB 4.43Å; M71-M85 HydrophobicContact SD-CE 3.39Å; M71-M85 WeakPolarHBondContact SD-CE 3.44Å; M71-M85 HydrophobicContact SD-CG 4.36Å; A74-M85 HydrophobicContact CB-CE 4.3Å; M81-M85 WeakPolarHBondContact O-CB 3.42Å; M81-M85 PolarHBondContact O-N 2.98Å; A82-M85 PolarHBondContact O-N 3.01Å; M85-G89 PolarHBondContact O-N 2.66Å
86	F	86.5	Confident	73.3	Confident	22 Å²	22	85.4 Å²	85.4	10%	0.096	49%	0.492	C	S	.	.	H	α-helix	trans	-71	-40.5	175.1	178.6	-97.3	0	0	0	113.2	F57 T61 A63 V67 M71 A82 V83 T84 G91	F57-F86 HydrophobicContact CE2-CB 4.19Å; F57-F86 HydrophobicContact CZ-CB 3.78Å; F57-F86 HydrophobicContact CZ-CD1 4.45Å; F57-F86 HydrophobicContact CZ-CD2 4.29Å; F57-F86 AromaticContact CZ-CG 3.91Å; F57-F86 HydrophobicContact CZ-CG 3.91Å; T61-F86 HydrophobicContact CG2-CD1 3.71Å; T61-F86 HydrophobicContact CG2-CE1 4.31Å; T61-F86 HydrophobicContact CG2-CG 4.41Å; A63-F86 HydrophobicContact CB-CE1 4.19Å; A63-F86 HydrophobicContact CB-CE2 3.94Å; A63-F86 HydrophobicContact CB-CZ 3.71Å; V67-F86 HydrophobicContact CG1-CD2 4.14Å; V67-F86 HydrophobicContact CG1-CE2 3.97Å; M71-F86 HydrophobicContact CE-CB 4.43Å; M71-F86 HydrophobicContact CE-CD2 4.14Å; M71-F86 HydrophobicContact CG-CB 4.39Å; A82-F86 WeakPolarHBondContact O-CB 3.08Å; A82-F86 PolarHBondContact O-N 2.9Å; V83-F86 PolarHBondContact O-N 3.37Å; T84-F86 VanDerWaalsContact C-N 3.33Å; T84-F86 PolarHBondContact O-N 3.23Å; F86-G91 PolarHBondContact O-N 3.18Å
87	L	85.3	Confident	70.5	Confident	109 Å²	109	83.8 Å²	83.8	57%	0.571	49%	0.493	S	S	*	.	H	α-helix	trans	-73	-41.9	-179.9	-68.4	174.4	0	0	0	112	V83 T84 G89 G90	V83-L87 HydrophobicContact CG1-CD1 3.81Å; V83-L87 HydrophobicContact CG1-CG 4.46Å; V83-L87 WeakPolarHBondContact O-CB 3.27Å; V83-L87 VanDerWaalsContact O-CG 3.31Å; V83-L87 WeakPolarHBondContact O-CG 3.4Å; V83-L87 PolarHBondContact O-N 3.43Å; V83-L87 VanDerWaalsContact O-N 3.09Å; T84-L87 PolarHBondContact O-N 3.37Å; L87-G89 VanDerWaalsContact C-N 3.31Å; L87-G90 PolarHBondContact O-N 2.99Å
88	D	82.7	Confident	67.9	Low	152 Å²	152	86.8 Å²	86.8	81%	0.813	51%	0.513	S	S	*	.	H	α-helix	trans	-70.4	-30	176.2	-154.4	46.8	0	0	0	111.4	T84 G90	T84-D88 VanDerWaalsContact O-CB 3.3Å; T84-D88 WeakPolarHBondContact O-CB 3.46Å; T84-D88 PolarHBondContact O-N 2.77Å; D88-G90 PolarHBondContact O-N 3.36Å
89	G	71.7	Confident	65.3	Low	62 Å²	62	88.1 Å²	88.1	64%	0.639	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	3.4	172.7	0	0	0	0	0	116	M85 L87	M85-G89 PolarHBondContact O-N 2.66Å; L87-G89 VanDerWaalsContact C-N 3.31Å
90	G	60.4	Low	62.6	Low	56 Å²	56	92.5 Å²	92.5	58%	0.577	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	82.7	12.7	170	0	0	0	0	0	116.6	L87 D88 M92	L87-G90 PolarHBondContact O-N 2.99Å; D88-G90 PolarHBondContact O-N 3.36Å; G90-M92 VanDerWaalsContact C-N 3.3Å; G90-M92 PolarHBondContact O-N 2.99Å; G90-M92 VanDerWaalsContact O-N 3.09Å
91	G	59.3	Low	60.1	Low	41 Å²	41	91.9 Å²	91.9	42%	0.423	57%	0.57	S	S	.	*			trans	63.1	18.9	161.3	0	0	0	0	0	117.9	F86 A93	F86-G91 PolarHBondContact O-N 3.18Å; G91-A93 PolarHBondContact O-N 3.37Å
92	M	43.6	Very low	57.6	Low	163 Å²	163	92.5 Å²	92.5	80%	0.803	59%	0.585	S	S	*	*			trans	-81.3	114.2	178.2	-68.2	-156.2	71.3	0	0	112.1	G90 E94	G90-M92 VanDerWaalsContact C-N 3.3Å; G90-M92 PolarHBondContact O-N 2.99Å; G90-M92 VanDerWaalsContact O-N 3.09Å; M92-E94 PolarHBondContact O-N 3.45Å
93	A	48.4	Very low	55.3	Low	71 Å²	71	97.3 Å²	97.3	59%	0.587	63%	0.625	S	S	*	*			trans	-85.3	89.4	172.1	0	0	0	0	0	111.2	G91	G91-A93 PolarHBondContact O-N 3.37Å
94	E	40.8	Very low	52.7	Low	165 Å²	165	101 Å²	101	77%	0.771	66%	0.657	S	S	*	*			trans	-103	120.4	161.9	-82.7	-86.1	114	0	0	108.6	M92	M92-E94 PolarHBondContact O-N 3.45Å
95	E	38.1	Very low	50.2	Low	105 Å²	105	102 Å²	102	49%	0.491	67%	0.668	S	S	.	*			trans	-72.6	142.6	174.6	-87.9	-77.2	132.4	0	0	110.9	T64 S66 S97	T64-E95 PolarHBondContact OG1-OE1 3.27Å; S66-E95 PolarHBondContact OG-OE1 3.29Å; E95-S97 PolarHBondContact O-N 2.97Å
96	P	41.1	Very low	47.9	Very low	109 Å²	109	102.7 Å²	102.7	71%	0.708	68%	0.682	S	S	*	*			trans	-72.3	96.8	-178	29.8	-34.5	0	0	0	111
97	S	30.7	Very low	45.5	Very low	113 Å²	113	107 Å²	107	79%	0.79	72%	0.715	S	S	*	*			trans	-136.5	133.9	170.3	-82.9	0	0	0	0	113.9	E95	E95-S97 PolarHBondContact O-N 2.97Å
98	T	34.1	Very low	43.1	Very low	128 Å²	128	113.8 Å²	113.8	79%	0.785	73%	0.733	S	S	*	*			trans	-47.5	134.4	-176	49.6	0	0	0	0	115.9
99	S	32.9	Very low	40.8	Very low	103 Å²	103	110.7 Å²	110.7	72%	0.72	73%	0.729	S	S	*	*	S	Bend	trans	62.9	116.8	150	54.8	0	0	0	0	120.5
100	S	33.6	Very low	39.5	Very low	102 Å²	102	113.6 Å²	113.6	71%	0.713	74%	0.736	S	S	*	*			trans	63.8	90	141.4	58.7	0	0	0	0	120.4
101	S	37.3	Very low	38.7	Very low	114 Å²	114	116.1 Å²	116.1	80%	0.797	74%	0.742	S	S	*	*				53.3	130.1	116.1	66.9	0	0	0	0	121.6
102	S	33.6	Very low	37.9	Very low	126 Å²	126	120.1 Å²	120.1	88%	0.881	76%	0.759	S	S	*	*			trans	-142.5	75.2	156.8	51.2	0	0	0	0	113.1
103	A	40.8	Very low	38.3	Very low	102 Å²	102	119.6 Å²	119.6	84%	0.843	76%	0.759	S	S	*	*			trans	-76.2	150.4	152.5	0	0	0	0	0	109.2
104	A	34.7	Very low	38.5	Very low	96 Å²	96	124.2 Å²	124.2	79%	0.793	77%	0.769	S	S	*	*			trans	-81.8	138.4	-165.2	0	0	0	0	0	115.2
105	S	35.5	Very low	39.6	Very low	109 Å²	109	122.1 Å²	122.1	76%	0.762	77%	0.767	S	S	*	*			trans	83.6	141.8	153.6	78.8	0	0	0	0	121.3
106	S	35.9	Very low	40.8	Very low	108 Å²	108	128.2 Å²	128.2	76%	0.755	79%	0.786	S	S	*	*			trans	86.9	84.2	150.5	-53.3	0	0	0	0	120.9
107	S	35.4	Very low	42	Very low	114 Å²	114	126.8 Å²	126.8	80%	0.797	78%	0.783	S	S	*	*			trans	62.2	94.9	132.8	61.2	0	0	0	0	122.4
108	R	34.5	Very low	43.8	Very low	251 Å²	251	127.2 Å²	127.2	95%	0.947	78%	0.783	S	S	*	*				61.7	87	117.1	-168.6	-171.9	175.4	175.9	-1.2	119.4
109	A	33.5	Very low	45.4	Very low	87 Å²	87	128.3 Å²	128.3	72%	0.719	78%	0.782	S	S	*	*			trans	-161.1	150.2	133.4	0	0	0	0	0	109.6
110	P	44.9	Very low	47.1	Very low	122 Å²	122	129 Å²	129	79%	0.792	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-86.2	122.3	171.5	32.3	-29.5	0	0	0	110.7
111	P	43.2	Very low	48.5	Very low	109 Å²	109	133.1 Å²	133.1	71%	0.708	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-74.9	142.3	167.6	31.1	-32.3	0	0	0	110.4
112	T	42.3	Very low	50	Low	125 Å²	125	135.3 Å²	135.3	77%	0.767	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-72.1	170.8	167.1	44	0	0	0	0	111.4	E114	T112-E114 PolarHBondContact O-N 3.44Å
113	D	52.6	Low	51.5	Low	152 Å²	152	138 Å²	138	81%	0.813	79%	0.786	S	S	*	*			trans	-45	86.6	175.6	-171.2	20.4	0	0	0	114.5	V115	D113-V115 PolarHBondContact O-N 3.07Å
114	E	53.8	Low	52.6	Low	168 Å²	168	138.4 Å²	138.4	79%	0.785	77%	0.774	S	S	*	*			trans	-87.2	94.7	173.7	-77.4	-167.6	158.6	0	0	110	T112 R116	T112-E114 PolarHBondContact O-N 3.44Å; E114-R116 PolarHBondContact O-N 2.93Å; E114-R116 VanDerWaalsContact O-N 3.09Å
115	V	63.6	Low	54	Low	122 Å²	122	140.8 Å²	140.8	74%	0.739	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-52.8	116.1	173.1	178.2	0	0	0	0	109.8	D113 A117	D113-V115 PolarHBondContact O-N 3.07Å; V115-A117 PolarHBondContact O-N 3.02Å; V115-A117 VanDerWaalsContact O-N 3.13Å
116	R	63.3	Low	55.3	Low	233 Å²	233	144 Å²	144	88%	0.879	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-49	118.8	179	-175.5	178.4	-174.7	171.5	2.5	110.4	E114	E114-R116 PolarHBondContact O-N 2.93Å; E114-R116 VanDerWaalsContact O-N 3.09Å
117	A	64.9	Low	56.2	Low	79 Å²	79	144.1 Å²	144.1	65%	0.653	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-52.6	136.8	-175.3	0	0	0	0	0	111.9	V115 I119	V115-A117 PolarHBondContact O-N 3.02Å; V115-A117 VanDerWaalsContact O-N 3.13Å; A117-I119 PolarHBondContact O-N 2.75Å
118	P	69.3	Low	57.5	Low	121 Å²	121	147.1 Å²	147.1	79%	0.786	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-54.3	138.6	176.7	-27.1	35.1	0	0	0	112	P120	P118-P120 WeakPolarHBondContact O-CD 3.42Å
119	I	67.6	Low	58.2	Low	152 Å²	152	140.1 Å²	140.1	78%	0.779	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-58.9	125.2	179.9	-60.9	173.7	0	0	0	108.9	A117 Q121	A117-I119 PolarHBondContact O-N 2.75Å; I119-Q121 PolarHBondContact O-N 3.21Å
120	P	68.1	Low	59.1	Low	117 Å²	117	144.3 Å²	144.3	76%	0.76	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-57.1	127.5	178.4	-26.5	35.3	0	0	0	111.5	P118 K122	P118-P120 WeakPolarHBondContact O-CD 3.42Å; P120-K122 PolarHBondContact O-N 2.89Å
121	Q	63.5	Low	59.1	Low	189 Å²	189	144.3 Å²	144.3	88%	0.883	77%	0.769	S	S	*	*			trans	-71.1	104.7	179.3	-68.3	-175.9	-6.7	0	0	110.1	I119	I119-Q121 PolarHBondContact O-N 3.21Å
122	K	69.4	Low	59.3	Low	159 Å²	159	146.1 Å²	146.1	69%	0.691	77%	0.772	S	S	*	*			trans	-90	127.7	172.5	-168.2	176.6	-177	-119.6	0	109.6	P120 D124	P120-K122 PolarHBondContact O-N 2.89Å; K122-D124 WeakPolarHBondContact CD-OD2 3.2Å; K122-D124 WeakPolarHBondContact CE-OD1 3.24Å; K122-D124 WeakPolarHBondContact CE-OD2 3.22Å; K122-D124 IonicContact NZ-OD1 2.7Å; K122-D124 PolarHBondContact NZ-OD1 3.36Å; K122-D124 IonicContact NZ-OD2 2.71Å; K122-D124 PolarHBondContact NZ-OD2 2.92Å
123	Q	65.1	Low	59.6	Low	182 Å²	182	149.8 Å²	149.8	85%	0.85	78%	0.777	S	S	*	*			trans	-99.6	96	173	-67.8	-176.3	-2.4	0	0	109
124	D	62.3	Low	59.1	Low	112 Å²	112	145.7 Å²	145.7	60%	0.599	77%	0.771	S	S	*	*			trans	-94.9	144.2	170.3	-70	-40.1	0	0	0	110.3	K122	K122-D124 WeakPolarHBondContact CD-OD2 3.2Å; K122-D124 WeakPolarHBondContact CE-OD1 3.24Å; K122-D124 WeakPolarHBondContact CE-OD2 3.22Å; K122-D124 IonicContact NZ-OD1 2.7Å; K122-D124 PolarHBondContact NZ-OD1 3.36Å; K122-D124 IonicContact NZ-OD2 2.71Å; K122-D124 PolarHBondContact NZ-OD2 2.92Å
125	I	65.4	Low	58.7	Low	146 Å²	146	144 Å²	144	75%	0.749	77%	0.772	S	S	*	*			trans	-84.7	117.2	-179.4	-49.2	179.6	0	0	0	108.6	V127	I125-V127 VanDerWaalsContact CG2-O 3.24Å; I125-V127 WeakPolarHBondContact CG2-O 3.25Å; I125-V127 PolarHBondContact O-N 3.4Å
126	L	63	Low	57.6	Low	176 Å²	176	143.8 Å²	143.8	92%	0.921	77%	0.773	S	S	*	*	S	Bend	trans	-70.3	-12.2	-174.7	-173.2	58	0	0	0	114.4
127	V	55	Low	56.5	Low	110 Å²	110	142.2 Å²	142.2	67%	0.667	77%	0.772	S	S	*	*	S	Bend	trans	-131.5	120.1	176.7	-179.9	0	0	0	0	108.2	I125	I125-V127 VanDerWaalsContact CG2-O 3.24Å; I125-V127 WeakPolarHBondContact CG2-O 3.25Å; I125-V127 PolarHBondContact O-N 3.4Å
128	E	61.1	Low	55.5	Low	178 Å²	178	149.9 Å²	149.9	83%	0.832	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-61	128.5	173.1	-170.8	173.4	-140.7	0	0	109.3	E130	E128-E130 PolarHBondContact O-N 3.16Å
129	P	49.1	Very low	54.2	Low	104 Å²	104	155.8 Å²	155.8	68%	0.675	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-65.7	119.9	-172.4	25	-33.6	0	0	0	111
130	E	52.5	Low	53.5	Low	175 Å²	175	159.5 Å²	159.5	82%	0.818	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-53.9	125.6	-176.5	-171.3	174	-157.7	0	0	111.1	E128 L132	E128-E130 PolarHBondContact O-N 3.16Å; E130-L132 PolarHBondContact O-N 3.47Å
131	P	45.3	Very low	52.3	Low	121 Å²	121	159.5 Å²	159.5	79%	0.786	80%	0.796	S	S	*	*			trans	-75.5	86.1	-167.6	29	-35.8	0	0	0	112.2	F133	P131-F133 PolarHBondContact O-N 3.48Å; P131-F133 VanDerWaalsContact O-N 3.11Å
132	L	48.7	Very low	51.1	Low	147 Å²	147	155.4 Å²	155.4	77%	0.77	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	112.1	176.1	-79	166.3	0	0	0	111.9	E130	E130-L132 PolarHBondContact O-N 3.47Å
133	F	46.8	Very low	50.3	Low	203 Å²	203	154.2 Å²	154.2	89%	0.89	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	59.1	53.7	163.4	-65.6	-83.7	0	0	0	117.4	P131	P131-F133 PolarHBondContact O-N 3.48Å; P131-F133 VanDerWaalsContact O-N 3.11Å
134	G	42.7	Very low	49.3	Very low	66 Å²	66	147.9 Å²	147.9	68%	0.68	76%	0.761	S	S	*	*			trans	-77.7	139.3	150.5	0	0	0	0	0	112
135	V	45.8	Very low	48.4	Very low	131 Å²	131	150.6 Å²	150.6	79%	0.794	77%	0.773	S	S	*	*			trans	-53.7	140.6	173	178.3	0	0	0	0	110.1	K137	V135-K137 PolarHBondContact O-N 3.19Å
136	P	39.5	Very low	47.2	Very low	119 Å²	119	152 Å²	152	77%	0.773	77%	0.774	S	S	*	*			trans	-57.2	98	-175.2	-27.5	36.1	0	0	0	113.6	R138	P136-R138 PolarHBondContact O-N 3.1Å
137	K	42.1	Very low	46.7	Very low	199 Å²	199	145 Å²	145	87%	0.865	74%	0.738	S	S	*	*			trans	-57.7	114.1	166.2	-74.2	-176.5	176.9	178.1	0	107.1	V135 R139	V135-K137 PolarHBondContact O-N 3.19Å; K137-R139 PolarHBondContact O-N 3.43Å
138	R	42.5	Very low	46.4	Very low	240 Å²	240	143.1 Å²	143.1	91%	0.906	74%	0.741	S	S	*	*			trans	-47.3	113.8	173.7	-74.5	-179.7	174.7	173.1	-2	108	P136 R140	P136-R138 PolarHBondContact O-N 3.1Å; R138-R140 PolarHBondContact O-N 2.85Å
139	R	43.2	Very low	45.9	Very low	245 Å²	245	143.6 Å²	143.6	93%	0.925	74%	0.741	S	S	*	*			trans	-58.8	106.8	171.2	-78.4	-174	171.3	-169	-3.2	106.7	K137	K137-R139 PolarHBondContact O-N 3.43Å
140	R	51.2	Low	46.3	Very low	230 Å²	230	140.4 Å²	140.4	87%	0.868	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-56.7	137.2	169.2	-67.8	-179.1	176.7	176.2	-2.2	106.7	R138 A142	R138-R140 PolarHBondContact O-N 2.85Å; R140-A142 PolarHBondContact O-N 2.87Å
141	P	44.1	Very low	46.5	Very low	118 Å²	118	137 Å²	137	77%	0.766	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-55.7	137.2	172.7	25.3	-33.4	0	0	0	108.2	R143	P141-R143 PolarHBondContact O-N 2.81Å
142	A	37.7	Very low	46.8	Very low	102 Å²	102	133.8 Å²	133.8	84%	0.843	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-59.2	123.8	-177.9	0	0	0	0	0	109.3	R140	R140-A142 PolarHBondContact O-N 2.87Å
143	R	53.3	Low	47	Very low	135 Å²	135	133.9 Å²	133.9	51%	0.509	67%	0.673	S	S	.	*	P	Polyproline II helix	trans	-66.3	171.1	164.1	-82.1	-173.2	167.5	174.6	-6	109.7	P141 D147 F152	P141-R143 PolarHBondContact O-N 2.81Å; R143-D147 HydrophobicContact CB-CB 3.83Å; R143-D147 VanDerWaalsContact CB-CG 3.5Å; R143-D147 WeakPolarHBondContact CB-OD2 3.47Å; R143-D147 WeakPolarHBondContact CD-OD2 3.14Å; R143-F152 VanDerWaalsContact NH1-CE1 3.32Å
144	S	44.3	Very low	47.5	Very low	48 Å²	48	128 Å²	128	34%	0.336	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-46.3	153.6	-173.5	-173.5	0	0	0	0	113.4	F146 D147	S144-F146 PolarHBondContact O-N 3.48Å; S144-F146 VanDerWaalsContact O-N 3.14Å; S144-F146 PolarHBondContact OG-N 3.17Å; S144-D147 WeakPolarHBondContact O-CB 3.35Å; S144-D147 PolarHBondContact O-N 3.19Å
145	I	42.5	Very low	48.3	Very low	169 Å²	169	126 Å²	126	87%	0.867	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-62.4	-23.2	174	-49	178.7	0	0	0	110.8	D147	I145-D147 VanDerWaalsContact C-N 3.33Å
146	F	41.4	Very low	49	Very low	175 Å²	175	123.6 Å²	123.6	77%	0.768	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-73.6	-15.8	170.3	-96.1	-99.6	0	0	0	114.9	S144 G148	S144-F146 PolarHBondContact O-N 3.48Å; S144-F146 VanDerWaalsContact O-N 3.14Å; S144-F146 PolarHBondContact OG-N 3.17Å; F146-G148 PolarHBondContact O-N 3.03Å
147	D	51.2	Low	49.9	Very low	30 Å²	30	123 Å²	123	16%	0.16	60%	0.601	C	S	.	*	G	3₁₀ helix	trans	-70.8	-19.7	179.3	-133.7	60	0	0	0	111.3	R143 S144 I145 F149 R150 F152	R143-D147 HydrophobicContact CB-CB 3.83Å; R143-D147 VanDerWaalsContact CB-CG 3.5Å; R143-D147 WeakPolarHBondContact CB-OD2 3.47Å; R143-D147 WeakPolarHBondContact CD-OD2 3.14Å; S144-D147 WeakPolarHBondContact O-CB 3.35Å; S144-D147 PolarHBondContact O-N 3.19Å; I145-D147 VanDerWaalsContact C-N 3.33Å; D147-F149 PolarHBondContact O-N 2.83Å; D147-F149 VanDerWaalsContact O-N 3.12Å; D147-R150 CarbonylContact O-C 3.54Å; D147-R150 PolarHBondContact O-N 3.2Å; D147-R150 VanDerWaalsContact O-O 3.07Å; D147-F152 VanDerWaalsContact CG-CE2 3.42Å; D147-F152 VanDerWaalsContact OD1-CE2 3.27Å; D147-F152 WeakPolarHBondContact OD1-CE2 3.29Å; D147-F152 WeakPolarHBondContact OD2-CD2 3.36Å; D147-F152 WeakPolarHBondContact OD2-CE2 3.43Å
148	G	49.9	Very low	51	Low	71 Å²	71	117 Å²	117	73%	0.732	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-65.4	-10.4	179.8	0	0	0	0	0	116	F146	F146-G148 PolarHBondContact O-N 3.03Å
149	F	49.6	Very low	51.9	Low	188 Å²	188	108.5 Å²	108.5	83%	0.825	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-99.7	-0.9	169.5	-78.4	-85.7	0	0	0	113.3	D147	D147-F149 PolarHBondContact O-N 2.83Å; D147-F149 VanDerWaalsContact O-N 3.12Å
150	R	57.2	Low	53	Low	36 Å²	36	101.6 Å²	101.6	14%	0.136	52%	0.522	C	S	.	.			trans	-118.4	94.2	171.6	-76.1	-166.8	-179	175	7.8	109.8	D147 F152 F180	D147-R150 CarbonylContact O-C 3.54Å; D147-R150 PolarHBondContact O-N 3.2Å; D147-R150 VanDerWaalsContact O-O 3.07Å; R150-F152 VanDerWaalsContact C-N 3.29Å; R150-F152 HydrophobicContact CB-CD2 4.25Å; R150-F152 HydrophobicContact CB-CE2 3.79Å; R150-F152 HydrophobicContact CB-CZ 4.42Å; R150-F152 WeakPolarHBondContact O-CD2 3.32Å; R150-F152 PolarHBondContact O-N 3.32Å; R150-F180 VanDerWaalsContact NH2-CB 3.29Å; R150-F180 PolarHBondContact NH2-O 3.44Å
151	D	56.3	Low	53.5	Low	105 Å²	105	96 Å²	96	56%	0.561	51%	0.506	S	S	*	.			trans	-65.6	90.6	166.2	-94.7	-34.4	0	0	0	110.3	Q153 T154 E155	D151-Q153 PolarHBondContact O-N 3.42Å; D151-Q153 VanDerWaalsContact O-N 3.13Å; D151-T154 WeakPolarHBondContact CB-OG1 3.37Å; D151-T154 PolarHBondContact O-N 3.12Å; D151-T154 VanDerWaalsContact O-N 3.11Å; D151-T154 PolarHBondContact OD2-OG1 3.43Å; D151-E155 WeakPolarHBondContact O-CB 3.36Å; D151-E155 PolarHBondContact O-N 2.94Å
152	F	53.5	Low	54.5	Low	52 Å²	52	93 Å²	93	23%	0.228	48%	0.481	C	S	.	.	H	α-helix	trans	-56.7	-27.1	170.9	-75.6	-89.7	0	0	0	111.9	R143 D147 R150 T156	R143-F152 VanDerWaalsContact NH1-CE1 3.32Å; D147-F152 VanDerWaalsContact CG-CE2 3.42Å; D147-F152 VanDerWaalsContact OD1-CE2 3.27Å; D147-F152 WeakPolarHBondContact OD1-CE2 3.29Å; D147-F152 WeakPolarHBondContact OD2-CD2 3.36Å; D147-F152 WeakPolarHBondContact OD2-CE2 3.43Å; R150-F152 VanDerWaalsContact C-N 3.29Å; R150-F152 HydrophobicContact CB-CD2 4.25Å; R150-F152 HydrophobicContact CB-CE2 3.79Å; R150-F152 HydrophobicContact CB-CZ 4.42Å; R150-F152 WeakPolarHBondContact O-CD2 3.32Å; R150-F152 PolarHBondContact O-N 3.32Å; F152-T156 VanDerWaalsContact O-CB 3.28Å; F152-T156 WeakPolarHBondContact O-CB 3.32Å; F152-T156 PolarHBondContact O-N 2.72Å; F152-T156 PolarHBondContact O-OG1 2.97Å
153	Q	52.8	Low	55.5	Low	149 Å²	149	93.7 Å²	93.7	70%	0.696	47%	0.47	S	S	*	.	H	α-helix	trans	-69.1	-51.5	174.2	-64.5	-177.4	103.1	0	0	111	D151 E155 T156 I157	D151-Q153 PolarHBondContact O-N 3.42Å; D151-Q153 VanDerWaalsContact O-N 3.13Å; Q153-E155 VanDerWaalsContact C-N 3.32Å; Q153-E155 PolarHBondContact O-N 2.93Å; Q153-T156 PolarHBondContact O-N 2.63Å; Q153-I157 WeakPolarHBondContact O-CB 3.46Å; Q153-I157 WeakPolarHBondContact O-CD1 3.46Å; Q153-I157 WeakPolarHBondContact O-CG1 3.35Å; Q153-I157 PolarHBondContact O-N 3.16Å
154	T	57.3	Low	55.7	Low	79 Å²	79	96 Å²	96	49%	0.485	48%	0.479	S	S	.	.	H	α-helix	trans	-63.4	-37.3	176	-53.1	0	0	0	0	111.7	D151 R158	D151-T154 WeakPolarHBondContact CB-OG1 3.37Å; D151-T154 PolarHBondContact O-N 3.12Å; D151-T154 VanDerWaalsContact O-N 3.11Å; D151-T154 PolarHBondContact OD2-OG1 3.43Å; T154-R158 WeakPolarHBondContact O-CB 3.31Å; T154-R158 PolarHBondContact O-N 3.34Å
155	E	59.7	Low	56	Low	26 Å²	26	98.8 Å²	98.8	12%	0.121	49%	0.49	C	S	.	.	H	α-helix	trans	-63.4	-52.5	173.1	166.8	149.8	-113.4	0	0	112.1	D151 Q153 R158 Q159 R181	D151-E155 WeakPolarHBondContact O-CB 3.36Å; D151-E155 PolarHBondContact O-N 2.94Å; Q153-E155 VanDerWaalsContact C-N 3.32Å; Q153-E155 PolarHBondContact O-N 2.93Å; E155-R158 PolarHBondContact O-N 2.95Å; E155-Q159 WeakPolarHBondContact O-CB 3.2Å; E155-Q159 PolarHBondContact O-N 3.32Å; E155-R181 VanDerWaalsContact CD-NH1 3.3Å; E155-R181 VanDerWaalsContact CG-NH1 3.25Å; E155-R181 VanDerWaalsContact OE1-CD 3.24Å; E155-R181 WeakPolarHBondContact OE1-CD 3.23Å; E155-R181 WeakPolarHBondContact OE1-CG 3.29Å; E155-R181 IonicContact OE1-CZ 3.89Å; E155-R181 IonicContact OE1-NE 3.32Å; E155-R181 IonicContact OE1-NH1 3.13Å; E155-R181 PolarHBondContact OE1-NH1 2.55Å
156	T	58.6	Low	56.4	Low	80 Å²	80	93.7 Å²	93.7	49%	0.491	48%	0.479	S	S	.	.	H	α-helix	trans	-63.7	-42	178.5	-63.8	0	0	0	0	112.3	F152 Q153 Q159 E160	F152-T156 VanDerWaalsContact O-CB 3.28Å; F152-T156 WeakPolarHBondContact O-CB 3.32Å; F152-T156 PolarHBondContact O-N 2.72Å; F152-T156 PolarHBondContact O-OG1 2.97Å; Q153-T156 PolarHBondContact O-N 2.63Å; T156-Q159 PolarHBondContact O-N 3.11Å; T156-E160 PolarHBondContact O-N 3.33Å
157	I	59.5	Low	56.7	Low	105 Å²	105	88.2 Å²	88.2	54%	0.538	47%	0.473	S	S	.	.	H	α-helix	trans	-64.1	-47.1	178.4	-68.8	165.2	0	0	0	110.5	Q153 Q159 E160 Q161	Q153-I157 WeakPolarHBondContact O-CB 3.46Å; Q153-I157 WeakPolarHBondContact O-CD1 3.46Å; Q153-I157 WeakPolarHBondContact O-CG1 3.35Å; Q153-I157 PolarHBondContact O-N 3.16Å; I157-Q159 VanDerWaalsContact C-N 3.34Å; I157-Q159 PolarHBondContact O-N 3.45Å; I157-E160 PolarHBondContact O-N 3.08Å; I157-Q161 WeakPolarHBondContact O-CB 3.46Å; I157-Q161 PolarHBondContact O-N 2.99Å
158	R	64.1	Low	56.4	Low	73 Å²	73	92.6 Å²	92.6	28%	0.275	50%	0.501	S	S	.	.	H	α-helix	trans	-63.2	-40.3	176.1	178.5	173.5	157.3	-158.2	-18.8	111.6	T154 E155 Q161 E162 D178	T154-R158 WeakPolarHBondContact O-CB 3.31Å; T154-R158 PolarHBondContact O-N 3.34Å; E155-R158 PolarHBondContact O-N 2.95Å; R158-Q161 CarbonylContact O-C 3.48Å; R158-Q161 PolarHBondContact O-N 2.83Å; R158-E162 HydrophobicContact CG-CG 4.28Å; R158-E162 IonicContact CZ-OE1 2.65Å; R158-E162 IonicContact NE-OE1 2.71Å; R158-E162 PolarHBondContact NE-OE1 3.12Å; R158-E162 IonicContact NH2-OE1 3.4Å; R158-E162 PolarHBondContact NH2-OE1 2.81Å; R158-E162 WeakPolarHBondContact O-CB 3.4Å; R158-E162 WeakPolarHBondContact O-CG 3.43Å; R158-E162 PolarHBondContact O-N 3.1Å; R158-D178 IonicContact CZ-OD2 2.98Å; R158-D178 IonicContact NH1-OD1 2.7Å; R158-D178 IonicContact NH1-OD2 3.72Å; R158-D178 PolarHBondContact NH1-OD2 3Å; R158-D178 IonicContact NH2-OD2 2.75Å
159	Q	62.9	Low	56.6	Low	62 Å²	62	92.9 Å²	92.9	29%	0.29	49%	0.488	S	S	.	.	H	α-helix	trans	-65	-42.6	177.7	-175.6	179.8	40.5	0	0	112.2	E155 T156 I157 Q161 E162 L163	E155-Q159 WeakPolarHBondContact O-CB 3.2Å; E155-Q159 PolarHBondContact O-N 3.32Å; T156-Q159 PolarHBondContact O-N 3.11Å; I157-Q159 VanDerWaalsContact C-N 3.34Å; I157-Q159 PolarHBondContact O-N 3.45Å; Q159-Q161 VanDerWaalsContact C-N 3.27Å; Q159-Q161 PolarHBondContact O-N 2.68Å; Q159-E162 PolarHBondContact O-N 3.3Å; Q159-L163 HydrophobicContact CG-CD1 4.24Å; Q159-L163 WeakPolarHBondContact O-CB 3.31Å; Q159-L163 WeakPolarHBondContact O-CD1 3.39Å; Q159-L163 WeakPolarHBondContact O-CG 3.34Å; Q159-L163 PolarHBondContact O-N 3.21Å
160	E	65.2	Low	56.4	Low	100 Å²	100	90 Å²	90	47%	0.467	48%	0.482	S	S	.	.	H	α-helix	trans	-60.3	-40.5	173.3	-163.1	-157.2	127	0	0	110.8	T156 I157 L163 R164	T156-E160 PolarHBondContact O-N 3.33Å; I157-E160 PolarHBondContact O-N 3.08Å; E160-L163 PolarHBondContact O-N 3.45Å; E160-R164 WeakPolarHBondContact O-CB 3.49Å; E160-R164 WeakPolarHBondContact O-CD 3.15Å; E160-R164 WeakPolarHBondContact O-CG 3.36Å; E160-R164 PolarHBondContact O-N 3.25Å; E160-R164 WeakPolarHBondContact OE1-CD 3.23Å; E160-R164 IonicContact OE1-CZ 2.73Å; E160-R164 IonicContact OE1-NE 4Å; E160-R164 IonicContact OE1-NH1 3.41Å; E160-R164 PolarHBondContact OE1-NH1 3.5Å
161	Q	62.4	Low	56.3	Low	112 Å²	112	97.3 Å²	97.3	52%	0.523	51%	0.514	S	S	.	.	H	α-helix	trans	-72.9	-36.9	180	-163.4	163.4	-6.7	0	0	112.8	I157 R158 Q159 R164 N165	I157-Q161 WeakPolarHBondContact O-CB 3.46Å; I157-Q161 PolarHBondContact O-N 2.99Å; R158-Q161 CarbonylContact O-C 3.48Å; R158-Q161 PolarHBondContact O-N 2.83Å; Q159-Q161 VanDerWaalsContact C-N 3.27Å; Q159-Q161 PolarHBondContact O-N 2.68Å; Q161-R164 PolarHBondContact O-N 2.96Å; Q161-N165 VanDerWaalsContact O-CB 3.25Å; Q161-N165 WeakPolarHBondContact O-CB 3.39Å; Q161-N165 PolarHBondContact O-N 3.34Å
162	E	64.8	Low	56.1	Low	55 Å²	55	101.4 Å²	101.4	26%	0.257	53%	0.527	S	S	.	.	H	α-helix	trans	-64.3	-40.4	172.1	-76.4	170.2	169.8	0	0	111.5	R158 Q159 R164 G166	R158-E162 HydrophobicContact CG-CG 4.28Å; R158-E162 IonicContact CZ-OE1 2.65Å; R158-E162 IonicContact NE-OE1 2.71Å; R158-E162 PolarHBondContact NE-OE1 3.12Å; R158-E162 IonicContact NH2-OE1 3.4Å; R158-E162 PolarHBondContact NH2-OE1 2.81Å; R158-E162 WeakPolarHBondContact O-CB 3.4Å; R158-E162 WeakPolarHBondContact O-CG 3.43Å; R158-E162 PolarHBondContact O-N 3.1Å; Q159-E162 PolarHBondContact O-N 3.3Å; E162-R164 VanDerWaalsContact C-N 3.32Å; E162-R164 PolarHBondContact O-N 3.14Å; E162-G166 PolarHBondContact O-N 3.1Å
163	L	58.9	Low	56.1	Low	117 Å²	117	105.3 Å²	105.3	61%	0.613	55%	0.55	S	S	*	.	H	α-helix	trans	-66.3	-30.5	174.2	-72.1	168	0	0	0	113.1	Q159 E160	Q159-L163 HydrophobicContact CG-CD1 4.24Å; Q159-L163 WeakPolarHBondContact O-CB 3.31Å; Q159-L163 WeakPolarHBondContact O-CD1 3.39Å; Q159-L163 WeakPolarHBondContact O-CG 3.34Å; Q159-L163 PolarHBondContact O-N 3.21Å; E160-L163 PolarHBondContact O-N 3.45Å
164	R	57	Low	56.3	Low	183 Å²	183	102.1 Å²	102.1	69%	0.691	54%	0.543	S	S	*	.	H	α-helix	trans	-88.5	-27.7	-179.7	-71.5	169.3	64.4	176.8	-1.2	113.8	E160 Q161 E162	E160-R164 WeakPolarHBondContact O-CB 3.49Å; E160-R164 WeakPolarHBondContact O-CD 3.15Å; E160-R164 WeakPolarHBondContact O-CG 3.36Å; E160-R164 PolarHBondContact O-N 3.25Å; E160-R164 WeakPolarHBondContact OE1-CD 3.23Å; E160-R164 IonicContact OE1-CZ 2.73Å; E160-R164 IonicContact OE1-NE 4Å; E160-R164 IonicContact OE1-NH1 3.41Å; E160-R164 PolarHBondContact OE1-NH1 3.5Å; Q161-R164 PolarHBondContact O-N 2.96Å; E162-R164 VanDerWaalsContact C-N 3.32Å; E162-R164 PolarHBondContact O-N 3.14Å
165	N	51.8	Low	56.8	Low	107 Å²	107	101.8 Å²	101.8	57%	0.572	54%	0.541	S	S	*	.	H	α-helix	trans	-103.1	-5.6	-172.8	-70.8	16	0	0	0	115	Q161	Q161-N165 VanDerWaalsContact O-CB 3.25Å; Q161-N165 WeakPolarHBondContact O-CB 3.39Å; Q161-N165 PolarHBondContact O-N 3.34Å
166	G	49.7	Very low	57.2	Low	62 Å²	62	107.4 Å²	107.4	64%	0.639	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	78.9	54.1	167.2	0	0	0	0	0	115.6	E162 T168	E162-G166 PolarHBondContact O-N 3.1Å; G166-T168 VanDerWaalsContact C-N 3.33Å; G166-T168 PolarHBondContact O-N 3.42Å; G166-T168 VanDerWaalsContact O-N 3.12Å
167	G	48.4	Very low	57.5	Low	61 Å²	61	105 Å²	105	63%	0.629	56%	0.56	S	S	*	*	S	Bend	trans	75	1.2	155.9	0	0	0	0	0	118.3	V169	G167-V169 VanDerWaalsContact C-N 3.29Å; G167-V169 PolarHBondContact O-N 2.82Å
168	T	45	Very low	58	Low	121 Å²	121	101.2 Å²	101.2	74%	0.742	54%	0.541	S	S	*	.			trans	-75.9	79.6	171.5	56.4	0	0	0	0	110.6	G166 D170	G166-T168 VanDerWaalsContact C-N 3.33Å; G166-T168 PolarHBondContact O-N 3.42Å; G166-T168 VanDerWaalsContact O-N 3.12Å; T168-D170 PolarHBondContact O-N 3.3Å
169	V	53.7	Low	58.4	Low	78 Å²	78	101.8 Å²	101.8	47%	0.473	55%	0.549	S	S	.	.			trans	-71.5	112.5	-179.5	-172.7	0	0	0	0	110.7	G167 K171	G167-V169 VanDerWaalsContact C-N 3.29Å; G167-V169 PolarHBondContact O-N 2.82Å; V169-K171 PolarHBondContact O-N 2.89Å
170	D	46	Very low	58.7	Low	128 Å²	128	101.1 Å²	101.1	68%	0.684	55%	0.545	S	S	*	.			trans	-68.9	95	171.5	-104.8	-48.9	0	0	0	110.5	T168 K172 L173	T168-D170 PolarHBondContact O-N 3.3Å; D170-K172 PolarHBondContact O-N 3.49Å; D170-L173 PolarHBondContact O-N 2.94Å
171	K	55.7	Low	58.9	Low	189 Å²	189	99 Å²	99	82%	0.822	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-58	-4.8	-177.5	-60.8	-175.3	179	-177	0	115	V169	V169-K171 PolarHBondContact O-N 2.89Å
172	K	51.8	Low	59.4	Low	191 Å²	191	94.5 Å²	94.5	83%	0.83	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-83.9	-8.2	-178.9	-67.2	-175.3	175.8	-178.8	0	114.6	D170	D170-K172 PolarHBondContact O-N 3.49Å
173	L	52	Low	60	Low	134 Å²	134	92.8 Å²	92.8	70%	0.702	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-120.4	27.6	179.2	-63.1	177.6	0	0	0	113.3	D170 T175	D170-L173 PolarHBondContact O-N 2.94Å; L173-T175 PolarHBondContact O-N 2.98Å
174	S	57.8	Low	60.9	Low	81 Å²	81	90.5 Å²	90.5	57%	0.566	49%	0.494	S	S	*	.			trans	-71.6	105.9	172	-176.1	0	0	0	0	110.3	D178	S174-D178 WeakPolarHBondContact CA-OD2 3.3Å
175	T	66.9	Low	62	Low	72 Å²	72	88.4 Å²	88.4	44%	0.442	49%	0.493	S	S	.	.			trans	-79.8	163.1	176.4	76	0	0	0	0	111.4	L173 A177 D178	L173-T175 PolarHBondContact O-N 2.98Å; T175-A177 PolarHBondContact O-N 3Å; T175-A177 PolarHBondContact OG1-N 2.86Å; T175-D178 PolarHBondContact N-OD2 3.35Å; T175-D178 VanDerWaalsContact N-OD2 3.12Å; T175-D178 WeakPolarHBondContact O-CB 3.36Å; T175-D178 PolarHBondContact O-N 2.84Å; T175-D178 VanDerWaalsContact O-N 3.09Å; T175-D178 VanDerWaalsContact OG1-CG 3.29Å; T175-D178 PolarHBondContact OG1-N 2.86Å; T175-D178 VanDerWaalsContact OG1-N 3.16Å; T175-D178 PolarHBondContact OG1-OD1 3.44Å
176	L	68.3	Low	63.5	Low	145 Å²	145	84.1 Å²	84.1	76%	0.759	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.3	170.3	-71	177	0	0	0	112.8	D178 L179 F180	L176-D178 VanDerWaalsContact C-N 3.34Å; L176-L179 HydrophobicContact CD2-CD1 3.97Å; L176-F180 WeakPolarHBondContact O-CD2 3.38Å
177	A	66.3	Low	65.4	Low	30 Å²	30	83.4 Å²	83.4	25%	0.248	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-29.3	173.7	0	0	0	0	0	112.2	T175 L179 F180	T175-A177 PolarHBondContact O-N 3Å; T175-A177 PolarHBondContact OG1-N 2.86Å; A177-L179 PolarHBondContact O-N 2.87Å; A177-F180 PolarHBondContact O-N 3.09Å; A177-F180 VanDerWaalsContact O-N 3.13Å
178	D	69.6	Low	67.3	Low	25 Å²	25	82.7 Å²	82.7	13%	0.134	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-61.8	-32.4	178.6	-63.8	-1.6	0	0	0	112	R158 S174 T175 L176 F180 R181	R158-D178 IonicContact CZ-OD2 2.98Å; R158-D178 IonicContact NH1-OD1 2.7Å; R158-D178 IonicContact NH1-OD2 3.72Å; R158-D178 PolarHBondContact NH1-OD2 3Å; R158-D178 IonicContact NH2-OD2 2.75Å; S174-D178 WeakPolarHBondContact CA-OD2 3.3Å; T175-D178 PolarHBondContact N-OD2 3.35Å; T175-D178 VanDerWaalsContact N-OD2 3.12Å; T175-D178 WeakPolarHBondContact O-CB 3.36Å; T175-D178 PolarHBondContact O-N 2.84Å; T175-D178 VanDerWaalsContact O-N 3.09Å; T175-D178 VanDerWaalsContact OG1-CG 3.29Å; T175-D178 PolarHBondContact OG1-N 2.86Å; T175-D178 VanDerWaalsContact OG1-N 3.16Å; T175-D178 PolarHBondContact OG1-OD1 3.44Å; L176-D178 VanDerWaalsContact C-N 3.34Å; D178-F180 PolarHBondContact O-N 2.85Å; D178-F180 VanDerWaalsContact O-N 3.14Å; D178-R181 PolarHBondContact O-N 3.28Å; D178-R181 IonicContact OD1-CZ 2.71Å; D178-R181 VanDerWaalsContact OD1-CZ 3.22Å; D178-R181 IonicContact OD1-NE 3.65Å; D178-R181 PolarHBondContact OD1-NE 2.92Å; D178-R181 IonicContact OD1-NH2 2.7Å; D178-R181 PolarHBondContact OD1-NH2 3.01Å
179	L	72.2	Confident	69.2	Low	84 Å²	84	84.2 Å²	84.2	44%	0.44	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-61.1	-19.1	176.9	-63.2	176.7	0	0	0	114.2	L176 A177 R223	L176-L179 HydrophobicContact CD2-CD1 3.97Å; A177-L179 PolarHBondContact O-N 2.87Å; L179-R223 HydrophobicContact CB-CG 4.32Å; L179-R223 WeakPolarHBondContact O-CA 3.46Å; L179-R223 WeakPolarHBondContact O-CB 3.37Å
180	F	69.2	Low	70.8	Confident	49 Å²	49	82 Å²	82	22%	0.215	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-110.2	2.3	-178.4	-60.3	-87.5	0	0	0	113.3	R150 L176 A177 D178 Q219 N222 R223	R150-F180 VanDerWaalsContact NH2-CB 3.29Å; R150-F180 PolarHBondContact NH2-O 3.44Å; L176-F180 WeakPolarHBondContact O-CD2 3.38Å; A177-F180 PolarHBondContact O-N 3.09Å; A177-F180 VanDerWaalsContact O-N 3.13Å; D178-F180 PolarHBondContact O-N 2.85Å; D178-F180 VanDerWaalsContact O-N 3.14Å; F180-Q219 HydrophobicContact CD1-CB 4.05Å; F180-N222 WeakPolarHBondContact O-CB 3.2Å; F180-R223 HydrophobicContact CD1-CB 3.91Å; F180-R223 HydrophobicContact CD1-CG 4.5Å; F180-R223 HydrophobicContact CE1-CB 4.05Å; F180-R223 HydrophobicContact CE1-CG 4.32Å
181	R	70.4	Confident	72.9	Confident	55 Å²	55	78 Å²	78	21%	0.208	40%	0.402	C	S	.	.	S	Bend	trans	-64.4	149.6	-178.9	-71.5	176.2	-174.2	-128.1	17.4	111.3	E155 D178	E155-R181 VanDerWaalsContact CD-NH1 3.3Å; E155-R181 VanDerWaalsContact CG-NH1 3.25Å; E155-R181 VanDerWaalsContact OE1-CD 3.24Å; E155-R181 WeakPolarHBondContact OE1-CD 3.23Å; E155-R181 WeakPolarHBondContact OE1-CG 3.29Å; E155-R181 IonicContact OE1-CZ 3.89Å; E155-R181 IonicContact OE1-NE 3.32Å; E155-R181 IonicContact OE1-NH1 3.13Å; E155-R181 PolarHBondContact OE1-NH1 2.55Å; D178-R181 PolarHBondContact O-N 3.28Å; D178-R181 IonicContact OD1-CZ 2.71Å; D178-R181 VanDerWaalsContact OD1-CZ 3.22Å; D178-R181 IonicContact OD1-NE 3.65Å; D178-R181 PolarHBondContact OD1-NE 2.92Å; D178-R181 IonicContact OD1-NH2 2.7Å; D178-R181 PolarHBondContact OD1-NH2 3.01Å
182	P	71.8	Confident	74.7	Confident	18 Å²	18	70.8 Å²	70.8	12%	0.117	37%	0.37	C	S	.	.			trans	-53.9	147.4	168.7	-25.5	35.7	0	0	0	112	I184 M187	P182-I184 VanDerWaalsContact C-N 3.27Å; P182-I184 PolarHBondContact O-N 2.8Å; P182-M187 HydrophobicContact CB-CE 4.42Å; P182-M187 HydrophobicContact CB-SD 3.46Å; P182-M187 WeakPolarHBondContact CB-SD 3.18Å
183	P	77.8	Confident	76.7	Confident	19 Å²	19	66.3 Å²	66.3	12%	0.123	35%	0.353	C	S	.	.			trans	-76.9	74.3	-178.4	35.1	-39.1	0	0	0	111	E185 L186 M187 W226 F241	P183-E185 PolarHBondContact O-N 3.42Å; P183-L186 HydrophobicContact CB-CB 4.33Å; P183-L186 HydrophobicContact CB-CD1 3.81Å; P183-L186 HydrophobicContact CB-CG 4Å; P183-L186 HydrophobicContact CG-CB 4.42Å; P183-L186 HydrophobicContact CG-CD1 4.05Å; P183-L186 HydrophobicContact CG-CG 4.48Å; P183-L186 WeakPolarHBondContact O-CB 3.49Å; P183-L186 PolarHBondContact O-N 3.36Å; P183-M187 HydrophobicContact CG-CG 4.49Å; P183-M187 WeakPolarHBondContact O-CG 3.27Å; P183-M187 PolarHBondContact O-N 3.26Å; P183-W226 HydrophobicContact CB-CB 3.95Å; P183-W226 HydrophobicContact CG-CB 3.81Å; P183-W226 HydrophobicContact CG-CG 4.12Å; P183-F241 HydrophobicContact CG-CD1 4.37Å; P183-F241 HydrophobicContact CG-CE1 3.57Å; P183-F241 HydrophobicContact CG-CZ 4.07Å
184	I	77.6	Confident	78.8	Confident	68 Å²	68	62.6 Å²	62.6	35%	0.349	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-15.9	-172.3	62.9	171.5	0	0	0	115.2	P182 M187	P182-I184 VanDerWaalsContact C-N 3.27Å; P182-I184 PolarHBondContact O-N 2.8Å; I184-M187 HydrophobicContact CG2-SD 4.39Å
185	E	79.5	Confident	80.6	Confident	140 Å²	140	58.8 Å²	58.8	65%	0.654	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-22.9	171.8	-62.4	-179.5	178.4	0	0	113.7	P183 R236	P183-E185 PolarHBondContact O-N 3.42Å; E185-R236 IonicContact OE2-NH2 2.7Å
186	L	83.9	Confident	81.9	Confident	16 Å²	16	57 Å²	57	8%	0.084	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-31	177.1	-55	-177.5	0	0	0	111.8	P183 H188 K232 I235 R236 F241	P183-L186 HydrophobicContact CB-CB 4.33Å; P183-L186 HydrophobicContact CB-CD1 3.81Å; P183-L186 HydrophobicContact CB-CG 4Å; P183-L186 HydrophobicContact CG-CB 4.42Å; P183-L186 HydrophobicContact CG-CD1 4.05Å; P183-L186 HydrophobicContact CG-CG 4.48Å; P183-L186 WeakPolarHBondContact O-CB 3.49Å; P183-L186 PolarHBondContact O-N 3.36Å; L186-H188 PolarHBondContact O-N 3.07Å; L186-K232 HydrophobicContact CD1-CG 4.15Å; L186-K232 HydrophobicContact CD2-CB 3.97Å; L186-K232 HydrophobicContact CD2-CG 4.14Å; L186-K232 HydrophobicContact CG-CG 4.45Å; L186-I235 HydrophobicContact CB-CG2 4.31Å; L186-I235 HydrophobicContact CD1-CB 4.34Å; L186-I235 HydrophobicContact CD1-CD1 3.91Å; L186-I235 HydrophobicContact CD1-CG2 4.06Å; L186-I235 HydrophobicContact CD2-CB 4.45Å; L186-I235 HydrophobicContact CD2-CG2 4.21Å; L186-I235 HydrophobicContact CG-CG2 4.44Å; L186-R236 HydrophobicContact CD2-CG 3.47Å; L186-R236 VanDerWaalsContact CD2-CG 3.47Å; L186-F241 HydrophobicContact CB-CB 4.23Å; L186-F241 HydrophobicContact CB-CD1 3.89Å; L186-F241 HydrophobicContact CB-CG 4.21Å
187	M	89.1	Confident	83.2	Confident	48 Å²	48	53.7 Å²	53.7	24%	0.236	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-68.3	122	-167.5	-71.7	174.3	63	0	0	113.1	P182 P183 I184 F241 Q243	P182-M187 HydrophobicContact CB-CE 4.42Å; P182-M187 HydrophobicContact CB-SD 3.46Å; P182-M187 WeakPolarHBondContact CB-SD 3.18Å; P183-M187 HydrophobicContact CG-CG 4.49Å; P183-M187 WeakPolarHBondContact O-CG 3.27Å; P183-M187 PolarHBondContact O-N 3.26Å; I184-M187 HydrophobicContact CG2-SD 4.39Å; M187-F241 WeakPolarHBondContact CA-O 3.46Å; M187-F241 HydrophobicContact CG-CD1 4.02Å; M187-F241 HydrophobicContact CG-CE1 4.11Å; M187-Q243 HydrophobicContact CE-CB 4.12Å; M187-Q243 HydrophobicContact CE-CG 4.44Å; M187-Q243 HydrophobicContact CG-CB 4.24Å; M187-Q243 HydrophobicContact SD-CB 4.35Å
188	H	88.3	Confident	84.5	Confident	46 Å²	46	54 Å²	54	21%	0.213	28%	0.278	C	S	.	.			trans	-57.5	135.5	165.1	-178.4	58.9	0	0	0	110.9	L186 G190 T194 A195 C198 I240 F241	L186-H188 PolarHBondContact O-N 3.07Å; H188-G190 PolarHBondContact O-N 3.36Å; H188-T194 PolarHBondContact NE2-OG1 3.37Å; H188-A195 PolarHBondContact NE2-N 3.01Å; H188-C198 VanDerWaalsContact CE1-SG 3.57Å; H188-I240 HydrophobicContact CB-CG2 3.86Å; H188-F241 PolarHBondContact N-O 3.26Å
189	K	85.8	Confident	85.7	Confident	153 Å²	153	52.8 Å²	52.8	67%	0.665	27%	0.271	S	S	*	.			trans	-103.4	75.4	-177.4	-65.7	178.8	-175.6	171.4	0	109.8
190	G	85.9	Confident	86.7	Confident	31 Å²	31	52.6 Å²	52.6	32%	0.32	27%	0.268	S	S	.	.	S	Bend	trans	-178.5	-179.3	-178.9	0	0	0	0	0	113.5	H188 T194 W242	H188-G190 PolarHBondContact O-N 3.36Å; G190-T194 WeakPolarHBondContact CA-OG1 3.47Å; G190-W242 PolarHBondContact O-NE1 2.9Å; G190-W242 VanDerWaalsContact O-NE1 3.08Å
191	S	92	Very high	87.9	Confident	45 Å²	45	57.2 Å²	57.2	32%	0.315	29%	0.294	S	S	.	.			trans	-70.3	169.1	177.5	64.4	0	0	0	0	112.2	E193 T194 A195 E250	S191-E193 PolarHBondContact O-N 2.74Å; S191-T194 PolarHBondContact N-OG1 3.21Å; S191-T194 PolarHBondContact O-N 3.47Å; S191-T194 PolarHBondContact O-OG1 3.43Å; S191-T194 PolarHBondContact OG-N 2.94Å; S191-A195 PolarHBondContact O-N 3.11Å; S191-E250 VanDerWaalsContact CA-OE2 3.28Å; S191-E250 WeakPolarHBondContact CA-OE2 3.28Å; S191-E250 WeakPolarHBondContact CB-OE1 3.18Å
192	F	93.4	Very high	89	Confident	36 Å²	36	59.2 Å²	59.2	16%	0.158	31%	0.306	C	S	.	.	H	α-helix	trans	-53.2	-37.1	171.6	176.6	-101.3	0	0	0	112.5	A195 K196 L206 I208 W242 E250 Y254 L269	F192-A195 WeakPolarHBondContact O-CB 3.4Å; F192-A195 PolarHBondContact O-N 2.86Å; F192-K196 HydrophobicContact CE1-CD 3.95Å; F192-K196 HydrophobicContact CE1-CG 4.32Å; F192-K196 HydrophobicContact CZ-CD 4.28Å; F192-K196 HydrophobicContact CZ-CG 4.37Å; F192-K196 PolarHBondContact O-N 3.31Å; F192-L206 HydrophobicContact CE2-CD2 4.06Å; F192-I208 HydrophobicContact CD2-CD1 4.07Å; F192-I208 HydrophobicContact CE2-CD1 3.82Å; F192-W242 HydrophobicContact CB-CH2 3.87Å; F192-W242 HydrophobicContact CB-CZ2 3.66Å; F192-W242 HydrophobicContact CD2-CE3 4.33Å; F192-W242 HydrophobicContact CD2-CH2 4.1Å; F192-W242 HydrophobicContact CD2-CZ2 4.48Å; F192-W242 HydrophobicContact CD2-CZ3 4.03Å; F192-W242 HydrophobicContact CG-CH2 4.44Å; F192-E250 PolarHBondContact N-OE1 3.39Å; F192-Y254 HydrophobicContact CD2-CD2 4.1Å; F192-Y254 HydrophobicContact CD2-CE2 4.38Å; F192-Y254 AromaticContact CE2-CD2 3.87Å; F192-Y254 HydrophobicContact CE2-CD2 3.87Å; F192-Y254 AromaticContact CE2-CE2 3.77Å; F192-Y254 HydrophobicContact CE2-CE2 3.77Å; F192-Y254 HydrophobicContact CZ-CE2 4.41Å; F192-L269 HydrophobicContact CE2-CD2 4.01Å; F192-L269 HydrophobicContact CZ-CD2 4Å
193	E	93.5	Very high	90	Very high	98 Å²	98	60 Å²	60	46%	0.458	31%	0.309	S	S	.	.	H	α-helix	trans	-68.2	-50.8	-178.1	-158	67.4	-173.2	0	0	111	S191 A195 K196 D197	S191-E193 PolarHBondContact O-N 2.74Å; E193-A195 PolarHBondContact O-N 3.2Å; E193-K196 VanDerWaalsContact CD-CE 3.42Å; E193-K196 WeakPolarHBondContact O-CB 3.45Å; E193-K196 PolarHBondContact O-N 2.69Å; E193-K196 WeakPolarHBondContact OE1-CE 3.41Å; E193-K196 IonicContact OE1-NZ 2.76Å; E193-K196 PolarHBondContact OE1-NZ 3.22Å; E193-K196 VanDerWaalsContact OE2-CE 3.23Å; E193-K196 WeakPolarHBondContact OE2-CE 3.47Å; E193-K196 IonicContact OE2-NZ 3.97Å; E193-K196 PolarHBondContact OE2-NZ 2.84Å; E193-D197 PolarHBondContact O-N 3.02Å; E193-D197 VanDerWaalsContact O-N 3.08Å
194	T	95.3	Very high	90.8	Very high	56 Å²	56	60.9 Å²	60.9	34%	0.344	31%	0.311	S	S	.	.	H	α-helix	trans	-66.7	-23.9	178.6	71	0	0	0	0	112.7	H188 G190 S191 D197 C198	H188-T194 PolarHBondContact NE2-OG1 3.37Å; G190-T194 WeakPolarHBondContact CA-OG1 3.47Å; S191-T194 PolarHBondContact N-OG1 3.21Å; S191-T194 PolarHBondContact O-N 3.47Å; S191-T194 PolarHBondContact O-OG1 3.43Å; S191-T194 PolarHBondContact OG-N 2.94Å; T194-D197 PolarHBondContact O-N 3.43Å; T194-C198 WeakPolarHBondContact O-CB 3.17Å; T194-C198 PolarHBondContact O-N 2.9Å; T194-C198 PolarHBondContact O-SG 3.36Å; T194-C198 VanDerWaalsContact O-SG 3.4Å
195	A	95.6	Very high	91.8	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.5	-37	171.7	0	0	0	0	0	112.3	H188 S191 F192 E193 G199 L206 I240 W242	H188-A195 PolarHBondContact NE2-N 3.01Å; S191-A195 PolarHBondContact O-N 3.11Å; F192-A195 WeakPolarHBondContact O-CB 3.4Å; F192-A195 PolarHBondContact O-N 2.86Å; E193-A195 PolarHBondContact O-N 3.2Å; A195-G199 PolarHBondContact O-N 3.02Å; A195-G199 VanDerWaalsContact O-N 3.14Å; A195-L206 HydrophobicContact CB-CD1 3.76Å; A195-I240 HydrophobicContact CB-CG2 4.4Å; A195-W242 HydrophobicContact CB-CB 4.16Å; A195-W242 HydrophobicContact CB-CG 4.02Å
196	K	95.3	Very high	92.6	Very high	36 Å²	36	51.9 Å²	51.9	16%	0.157	27%	0.267	C	S	.	.	H	α-helix	trans	-67.1	-45.8	169.8	-59	-177.2	-41.1	-163.9	0	110.9	F192 E193 C198 G199 Q200 L206 P271	F192-K196 HydrophobicContact CE1-CD 3.95Å; F192-K196 HydrophobicContact CE1-CG 4.32Å; F192-K196 HydrophobicContact CZ-CD 4.28Å; F192-K196 HydrophobicContact CZ-CG 4.37Å; F192-K196 PolarHBondContact O-N 3.31Å; E193-K196 VanDerWaalsContact CD-CE 3.42Å; E193-K196 WeakPolarHBondContact O-CB 3.45Å; E193-K196 PolarHBondContact O-N 2.69Å; E193-K196 WeakPolarHBondContact OE1-CE 3.41Å; E193-K196 IonicContact OE1-NZ 2.76Å; E193-K196 PolarHBondContact OE1-NZ 3.22Å; E193-K196 VanDerWaalsContact OE2-CE 3.23Å; E193-K196 WeakPolarHBondContact OE2-CE 3.47Å; E193-K196 IonicContact OE2-NZ 3.97Å; E193-K196 PolarHBondContact OE2-NZ 2.84Å; K196-C198 VanDerWaalsContact C-N 3.33Å; K196-C198 PolarHBondContact O-N 3.46Å; K196-G199 CarbonylContact O-C 3.49Å; K196-G199 WeakPolarHBondContact O-CA 3.26Å; K196-G199 PolarHBondContact O-N 3.4Å; K196-Q200 WeakPolarHBondContact O-CG 3.42Å; K196-Q200 PolarHBondContact O-N 3Å; K196-L206 HydrophobicContact CG-CD2 3.79Å; K196-P271 HydrophobicContact CB-CB 4.32Å; K196-P271 WeakPolarHBondContact O-CB 3.46Å
197	D	94.7	Very high	93.3	Very high	75 Å²	75	51.1 Å²	51.1	40%	0.401	26%	0.263	S	S	.	.	H	α-helix	trans	-63.5	-41.3	-174.5	-57.9	-29.6	0	0	0	111.1	E193 T194 G199 Q200 L201	E193-D197 PolarHBondContact O-N 3.02Å; E193-D197 VanDerWaalsContact O-N 3.08Å; T194-D197 PolarHBondContact O-N 3.43Å; D197-G199 VanDerWaalsContact C-N 3.35Å; D197-G199 PolarHBondContact O-N 2.92Å; D197-Q200 PolarHBondContact O-N 3.22Å; D197-L201 VanDerWaalsContact O-CB 3.3Å; D197-L201 WeakPolarHBondContact O-CB 3.2Å; D197-L201 PolarHBondContact O-N 3.03Å
198	C	94.3	Very high	93.6	Very high	36 Å²	36	48.8 Å²	48.8	24%	0.243	25%	0.251	C	S	.	.	H	α-helix	trans	-62.3	-38.3	168.9	-71.4	0	0	0	0	112.5	H188 T194 K196 Q200 L201 E202 I240	H188-C198 VanDerWaalsContact CE1-SG 3.57Å; T194-C198 WeakPolarHBondContact O-CB 3.17Å; T194-C198 PolarHBondContact O-N 2.9Å; T194-C198 PolarHBondContact O-SG 3.36Å; T194-C198 VanDerWaalsContact O-SG 3.4Å; K196-C198 VanDerWaalsContact C-N 3.33Å; K196-C198 PolarHBondContact O-N 3.46Å; C198-Q200 VanDerWaalsContact C-N 3.35Å; C198-Q200 PolarHBondContact O-N 3.46Å; C198-L201 PolarHBondContact O-N 3.25Å; C198-E202 WeakPolarHBondContact O-CB 3.24Å; C198-E202 PolarHBondContact O-N 3.26Å; C198-I240 HydrophobicContact CB-CD1 4.33Å; C198-I240 HydrophobicContact CB-CG1 4.46Å
199	G	94.8	Very high	94	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65	-35.6	174.8	0	0	0	0	0	113.5	A195 K196 D197 N203 K204	A195-G199 PolarHBondContact O-N 3.02Å; A195-G199 VanDerWaalsContact O-N 3.14Å; K196-G199 CarbonylContact O-C 3.49Å; K196-G199 WeakPolarHBondContact O-CA 3.26Å; K196-G199 PolarHBondContact O-N 3.4Å; D197-G199 VanDerWaalsContact C-N 3.35Å; D197-G199 PolarHBondContact O-N 2.92Å; G199-N203 CarbonylContact O-C 3.5Å; G199-N203 VanDerWaalsContact O-CA 3.24Å; G199-N203 WeakPolarHBondContact O-CA 3.41Å; G199-N203 PolarHBondContact O-N 2.88Å; G199-N203 VanDerWaalsContact O-N 3.09Å; G199-K204 CarbonylContact C-O 3.59Å; G199-K204 VanDerWaalsContact CA-O 3.28Å; G199-K204 WeakPolarHBondContact CA-O 3.33Å; G199-K204 PolarHBondContact O-N 3.18Å
200	Q	93.7	Very high	94.4	Very high	79 Å²	79	39.3 Å²	39.3	37%	0.369	21%	0.21	S	C	.	.	H	α-helix	trans	-72.4	-34.6	172.6	-65.8	-178.6	70.1	0	0	112.5	K196 D197 C198 N203 P271 R272	K196-Q200 WeakPolarHBondContact O-CG 3.42Å; K196-Q200 PolarHBondContact O-N 3Å; D197-Q200 PolarHBondContact O-N 3.22Å; C198-Q200 VanDerWaalsContact C-N 3.35Å; C198-Q200 PolarHBondContact O-N 3.46Å; Q200-N203 PolarHBondContact O-OD1 3.31Å; Q200-P271 HydrophobicContact CG-CB 4.09Å; Q200-P271 HydrophobicContact CG-CG 4.42Å; Q200-P271 PolarHBondContact NE2-O 3.13Å; Q200-R272 HydrophobicContact CG-CG 3.89Å
201	L	93.9	Very high	94.6	Very high	147 Å²	147	38 Å²	38	77%	0.77	20%	0.195	S	C	*	.	H	α-helix	trans	-80	-38.5	-178	-176.4	63.5	0	0	0	113.1	D197 C198	D197-L201 VanDerWaalsContact O-CB 3.3Å; D197-L201 WeakPolarHBondContact O-CB 3.2Å; D197-L201 PolarHBondContact O-N 3.03Å; C198-L201 PolarHBondContact O-N 3.25Å
202	E	92.7	Very high	94.5	Very high	97 Å²	97	37 Å²	37	45%	0.453	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-4.4	176.1	-64.7	-173.1	-150	0	0	113.1	C198 K204	C198-E202 WeakPolarHBondContact O-CB 3.24Å; C198-E202 PolarHBondContact O-N 3.26Å; E202-K204 VanDerWaalsContact C-N 3.27Å; E202-K204 HydrophobicContact CB-CB 4.45Å; E202-K204 HydrophobicContact CB-CD 4.04Å; E202-K204 HydrophobicContact CB-CG 4.06Å; E202-K204 PolarHBondContact O-N 3.14Å; E202-K204 WeakPolarHBondContact OE2-CD 3.49Å; E202-K204 WeakPolarHBondContact OE2-CE 3.26Å; E202-K204 IonicContact OE2-NZ 2.63Å; E202-K204 PolarHBondContact OE2-NZ 3.32Å
203	N	92.9	Very high	94	Very high	33 Å²	33	37.3 Å²	37.3	18%	0.176	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	47.6	-172	-68.4	-43.5	0	0	0	113	G199 Q200 R272 L302 D303	G199-N203 CarbonylContact O-C 3.5Å; G199-N203 VanDerWaalsContact O-CA 3.24Å; G199-N203 WeakPolarHBondContact O-CA 3.41Å; G199-N203 PolarHBondContact O-N 2.88Å; G199-N203 VanDerWaalsContact O-N 3.09Å; Q200-N203 PolarHBondContact O-OD1 3.31Å; N203-R272 PolarHBondContact OD1-NH2 2.93Å; N203-L302 HydrophobicContact CB-CB 4.13Å; N203-D303 WeakPolarHBondContact CB-OD2 3.13Å; N203-D303 VanDerWaalsContact CG-OD2 3.25Å; N203-D303 VanDerWaalsContact ND2-CG 3.26Å; N203-D303 PolarHBondContact ND2-OD1 3.13Å; N203-D303 VanDerWaalsContact ND2-OD1 3.09Å; N203-D303 PolarHBondContact ND2-OD2 3Å; N203-D303 PolarHBondContact OD1-OD1 2.85Å
204	K	95.5	Very high	93.7	Very high	39 Å²	39	38.4 Å²	38.4	17%	0.17	20%	0.196	C	C	.	.			trans	-115.3	142.5	177.1	-72.2	-179.8	-171.8	173	0	111.3	G199 E202 R236 E237 H238 I240 L302	G199-K204 CarbonylContact C-O 3.59Å; G199-K204 VanDerWaalsContact CA-O 3.28Å; G199-K204 WeakPolarHBondContact CA-O 3.33Å; G199-K204 PolarHBondContact O-N 3.18Å; E202-K204 VanDerWaalsContact C-N 3.27Å; E202-K204 HydrophobicContact CB-CB 4.45Å; E202-K204 HydrophobicContact CB-CD 4.04Å; E202-K204 HydrophobicContact CB-CG 4.06Å; E202-K204 PolarHBondContact O-N 3.14Å; E202-K204 WeakPolarHBondContact OE2-CD 3.49Å; E202-K204 WeakPolarHBondContact OE2-CE 3.26Å; E202-K204 IonicContact OE2-NZ 2.63Å; E202-K204 PolarHBondContact OE2-NZ 3.32Å; K204-R236 PolarHBondContact NZ-O 2.98Å; K204-E237 VanDerWaalsContact CE-O 3.26Å; K204-E237 WeakPolarHBondContact CE-O 3.48Å; K204-H238 WeakPolarHBondContact CA-O 3.44Å; K204-H238 WeakPolarHBondContact CB-O 3.37Å; K204-I240 HydrophobicContact CB-CD1 4.15Å; K204-I240 HydrophobicContact CB-CG1 4.05Å; K204-I240 HydrophobicContact CD-CD1 3.95Å; K204-L302 VanDerWaalsContact C-CD1 3.43Å; K204-L302 WeakPolarHBondContact O-CD1 3.02Å
205	W	96.9	Very high	93.3	Very high	18 Å²	18	37.7 Å²	37.7	7%	0.068	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	146.1	179.3	-66.4	104.7	0	0	0	111.4	M207 H238 F239 I240 I268 D270 M277 F295 H299 G300 L302	W205-M207 PolarHBondContact O-N 3.37Å; W205-H238 PolarHBondContact N-O 2.96Å; W205-F239 HydrophobicContact CB-CD1 3.54Å; W205-F239 HydrophobicContact CB-CE1 3.6Å; W205-F239 HydrophobicContact CG-CE1 4.3Å; W205-F239 CarbonylContact O-C 3.51Å; W205-F239 WeakPolarHBondContact O-CA 3.19Å; W205-I240 PolarHBondContact O-N 3.09Å; W205-I268 HydrophobicContact CB-CG2 3.78Å; W205-I268 HydrophobicContact CE3-CG2 4.45Å; W205-I268 HydrophobicContact CG-CG2 4.35Å; W205-D270 HydrophobicContact CZ3-CB 3.98Å; W205-M277 HydrophobicContact CZ3-CG 4.32Å; W205-F295 AromaticContact CD1-CE1 3.9Å; W205-F295 AromaticContact CD2-CE1 3.79Å; W205-F295 HydrophobicContact CD2-CE1 3.79Å; W205-F295 AromaticContact CD2-CZ 3.88Å; W205-F295 HydrophobicContact CD2-CZ 3.88Å; W205-F295 AromaticContact CE2-CE1 3.85Å; W205-F295 AromaticContact CE2-CZ 3.99Å; W205-F295 HydrophobicContact CE3-CE1 4.36Å; W205-F295 AromaticContact CE3-CZ 4Å; W205-F295 HydrophobicContact CE3-CZ 4Å; W205-F295 AromaticContact CG-CE1 3.84Å; W205-F295 HydrophobicContact CG-CE1 3.84Å; W205-F295 HydrophobicContact CG-CZ 4.38Å; W205-F295 HydrophobicContact CH2-CZ 4.37Å; W205-F295 HydrophobicContact CZ2-CE1 4.48Å; W205-F295 HydrophobicContact CZ2-CZ 4.25Å; W205-F295 HydrophobicContact CZ3-CZ 4.24Å; W205-F295 AromaticContact NE1-CE1 3.87Å; W205-H299 HydrophobicContact CH2-CB 4.26Å; W205-H299 HydrophobicContact CZ2-CB 3.77Å; W205-G300 PolarHBondContact NE1-O 2.98Å; W205-L302 HydrophobicContact CD2-CD1 4.22Å; W205-L302 HydrophobicContact CD2-CD2 4.36Å; W205-L302 HydrophobicContact CD2-CG 4.04Å; W205-L302 HydrophobicContact CE3-CD1 4.4Å; W205-L302 HydrophobicContact CE3-CD2 4.09Å; W205-L302 HydrophobicContact CE3-CG 4.26Å; W205-L302 HydrophobicContact CG-CD1 4.44Å; W205-L302 HydrophobicContact CH2-CD2 3.75Å; W205-L302 HydrophobicContact CH2-CG 4.24Å; W205-L302 HydrophobicContact CZ2-CD2 4.03Å; W205-L302 HydrophobicContact CZ2-CG 4.03Å; W205-L302 HydrophobicContact CZ3-CD2 3.78Å; W205-L302 HydrophobicContact CZ3-CG 4.36Å
206	L	97.4	Very high	92.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	108.2	-178.4	177.6	57.1	0	0	0	110.3	F192 A195 K196 I208 I240 W242 I268 L269 P271	F192-L206 HydrophobicContact CE2-CD2 4.06Å; A195-L206 HydrophobicContact CB-CD1 3.76Å; K196-L206 HydrophobicContact CG-CD2 3.79Å; L206-I208 HydrophobicContact CD1-CD1 4.03Å; L206-I208 HydrophobicContact CD2-CD1 3.99Å; L206-I208 HydrophobicContact CG-CD1 3.74Å; L206-I208 HydrophobicContact CG-CG1 4.35Å; L206-I240 HydrophobicContact CD1-CB 4.2Å; L206-I240 HydrophobicContact CD1-CG2 4.17Å; L206-W242 HydrophobicContact CD1-CB 4.17Å; L206-I268 WeakPolarHBondContact O-CA 3.44Å; L206-L269 HydrophobicContact CB-CB 4.18Å; L206-L269 HydrophobicContact CD2-CB 4.48Å; L206-L269 HydrophobicContact CG-CB 4.46Å; L206-L269 PolarHBondContact N-O 2.86Å; L206-L269 PolarHBondContact O-N 3.05Å; L206-P271 HydrophobicContact CB-CB 4.35Å
207	M	97.4	Very high	92.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	113.6	176.8	-173.6	173.4	-69.9	0	0	110.5	W205 I235 F239 I240 F241 W242 I266 I268 W280 F288	W205-M207 PolarHBondContact O-N 3.37Å; M207-I235 HydrophobicContact SD-CD1 4.36Å; M207-I235 HydrophobicContact SD-CG1 4.28Å; M207-F239 HydrophobicContact CB-CB 4.08Å; M207-F239 HydrophobicContact CB-CD1 3.97Å; M207-F239 HydrophobicContact CB-CG 4.24Å; M207-F239 HydrophobicContact CE-CD1 3.72Å; M207-F239 HydrophobicContact CE-CD2 3.87Å; M207-F239 HydrophobicContact CE-CE1 3.78Å; M207-F239 HydrophobicContact CE-CE2 3.9Å; M207-F239 HydrophobicContact CE-CG 3.78Å; M207-F239 HydrophobicContact CE-CZ 3.86Å; M207-I240 PolarHBondContact N-O 3.1Å; M207-F241 HydrophobicContact CB-CD2 4.38Å; M207-F241 HydrophobicContact CG-CD2 4.09Å; M207-F241 HydrophobicContact SD-CD2 3.9Å; M207-F241 HydrophobicContact SD-CE2 4.2Å; M207-W242 PolarHBondContact O-N 3.15Å; M207-I266 HydrophobicContact CG-CG2 4.18Å; M207-I266 HydrophobicContact SD-CG2 4.49Å; M207-I268 HydrophobicContact CE-CD1 4.31Å; M207-I268 HydrophobicContact CE-CG1 4.13Å; M207-W280 HydrophobicContact CE-CH2 4.43Å; M207-W280 HydrophobicContact CE-CZ3 4.13Å; M207-F288 HydrophobicContact CE-CE2 3.77Å; M207-F288 HydrophobicContact CE-CZ 4.16Å; M207-F288 HydrophobicContact SD-CE2 4.07Å
208	I	97.2	Very high	92.4	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	131.5	179.2	-53.5	-65.6	0	0	0	109.7	F192 L206 I210 W242 Y254 I266 S267 L269	F192-I208 HydrophobicContact CD2-CD1 4.07Å; F192-I208 HydrophobicContact CE2-CD1 3.82Å; L206-I208 HydrophobicContact CD1-CD1 4.03Å; L206-I208 HydrophobicContact CD2-CD1 3.99Å; L206-I208 HydrophobicContact CG-CD1 3.74Å; L206-I208 HydrophobicContact CG-CG1 4.35Å; I208-I210 HydrophobicContact CG2-CD1 3.56Å; I208-I210 HydrophobicContact CG2-CG1 3.93Å; I208-W242 WeakPolarHBondContact CA-O 3.07Å; I208-W242 HydrophobicContact CD1-CB 4.34Å; I208-W242 HydrophobicContact CD1-CD2 4.29Å; I208-W242 HydrophobicContact CD1-CE3 3.51Å; I208-W242 HydrophobicContact CD1-CZ3 4.11Å; I208-W242 HydrophobicContact CG2-CE3 4.03Å; I208-W242 HydrophobicContact CG2-CZ3 4.14Å; I208-Y254 HydrophobicContact CB-CE2 4.42Å; I208-Y254 HydrophobicContact CD1-CE2 4.17Å; I208-Y254 HydrophobicContact CG1-CE2 3.89Å; I208-Y254 HydrophobicContact CG2-CD1 4.41Å; I208-Y254 HydrophobicContact CG2-CD2 4.45Å; I208-Y254 HydrophobicContact CG2-CE1 3.88Å; I208-Y254 HydrophobicContact CG2-CE2 3.92Å; I208-I266 CarbonylContact O-C 3.52Å; I208-I266 VanDerWaalsContact O-CA 3.27Å; I208-I266 WeakPolarHBondContact O-CA 3.37Å; I208-I266 WeakPolarHBondContact O-CG2 3.4Å; I208-S267 PolarHBondContact N-O 3.41Å; I208-S267 PolarHBondContact O-N 3.14Å; I208-L269 HydrophobicContact CG1-CD1 4.03Å; I208-L269 HydrophobicContact CG1-CD2 4.09Å
209	N	95.7	Very high	91.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	107.3	171	175.7	22.1	0	0	0	110.3	Q211 W226 F241 W242 Q243 V244	N209-Q211 PolarHBondContact ND2-NE2 2.77Å; N209-Q211 PolarHBondContact OD1-NE2 2.84Å; N209-W226 PolarHBondContact ND2-NE1 3.39Å; N209-F241 HydrophobicContact CB-CE2 4.19Å; N209-F241 HydrophobicContact CB-CZ 4Å; N209-W242 PolarHBondContact N-O 3Å; N209-Q243 HydrophobicContact CB-CB 4.17Å; N209-Q243 HydrophobicContact CB-CG 4.36Å; N209-Q243 PolarHBondContact ND2-OE1 3.22Å; N209-Q243 WeakPolarHBondContact O-CA 3.35Å; N209-V244 PolarHBondContact O-N 2.74Å
210	I	93.7	Very high	91.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.9	177.3	-47.4	-60.4	0	0	0	109.7	I208 W242 V244 H246 Y254 I255 L260 F263 Y265	I208-I210 HydrophobicContact CG2-CD1 3.56Å; I208-I210 HydrophobicContact CG2-CG1 3.93Å; I210-W242 HydrophobicContact CD1-CZ3 4.11Å; I210-V244 HydrophobicContact CD1-CG2 3.55Å; I210-H246 HydrophobicContact CG2-CB 4.21Å; I210-Y254 HydrophobicContact CD1-CD1 3.8Å; I210-Y254 HydrophobicContact CD1-CE1 4.3Å; I210-Y254 HydrophobicContact CD1-CG 4.15Å; I210-Y254 HydrophobicContact CG1-CD1 3.86Å; I210-Y254 HydrophobicContact CG1-CE1 4.11Å; I210-I255 HydrophobicContact CG2-CD1 4.48Å; I210-L260 HydrophobicContact CB-CD1 4.39Å; I210-L260 HydrophobicContact CG1-CD1 3.91Å; I210-F263 HydrophobicContact CG2-CE1 3.93Å; I210-Y265 HydrophobicContact CB-CD1 4.43Å; I210-Y265 HydrophobicContact CG1-CD1 4.01Å; I210-Y265 PolarHBondContact N-O 3.48Å
211	Q	90.3	Very high	91.5	Very high	3 Å²	3	38.3 Å²	38.3	1%	0.014	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128.9	-170	-68.8	-84.7	-56.8	0	0	112.2	N209 C218 N222 Q243 V244 Y245 H246	N209-Q211 PolarHBondContact ND2-NE2 2.77Å; N209-Q211 PolarHBondContact OD1-NE2 2.84Å; Q211-C218 PolarHBondContact OE1-O 3.22Å; Q211-C218 VanDerWaalsContact OE1-O 3.12Å; Q211-N222 PolarHBondContact OE1-ND2 3.4Å; Q211-N222 VanDerWaalsContact OE1-ND2 3.16Å; Q211-Q243 HydrophobicContact CG-CG 3.99Å; Q211-V244 PolarHBondContact N-O 3.25Å; Q211-Y245 HydrophobicContact CB-CD1 4.02Å; Q211-Y245 HydrophobicContact CB-CE1 4.39Å; Q211-Y245 CarbonylContact O-C 3.59Å; Q211-Y245 VanDerWaalsContact O-CA 3.3Å; Q211-Y245 WeakPolarHBondContact O-CA 3.33Å; Q211-H246 PolarHBondContact O-N 2.9Å
212	N	89.5	Confident	91.2	Very high	23 Å²	23	31.6 Å²	31.6	12%	0.123	16%	0.161	C	C	.	.			trans	-103	121.4	166.4	-178.8	-3.8	0	0	0	109.2	Q214 D215 C218 H246 F263	N212-Q214 PolarHBondContact O-N 2.74Å; N212-Q214 WeakPolarHBondContact OD1-CB 3.36Å; N212-Q214 PolarHBondContact OD1-N 3.09Å; N212-D215 HydrophobicContact CB-CB 4.07Å; N212-D215 PolarHBondContact O-N 2.93Å; N212-D215 VanDerWaalsContact O-N 3.12Å; N212-C218 PolarHBondContact N-SG 3.27Å; N212-C218 WeakPolarHBondContact O-CB 3.43Å; N212-H246 PolarHBondContact OD1-CE1 2.89Å; N212-H246 PolarHBondContact OD1-NE2 2.82Å; N212-F263 HydrophobicContact CB-CB 4.46Å; N212-F263 HydrophobicContact CB-CD1 4.17Å; N212-F263 HydrophobicContact CB-CD2 4.18Å; N212-F263 HydrophobicContact CB-CG 3.99Å
213	V	84.4	Confident	90.9	Very high	43 Å²	43	31.3 Å²	31.3	26%	0.261	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-27.5	-179.9	-177.5	0	0	0	0	112.2	D215 Q219 Y245	V213-D215 VanDerWaalsContact C-N 3.31Å; V213-Q219 PolarHBondContact O-NE2 2.75Å; V213-Y245 HydrophobicContact CG2-CD1 3.6Å; V213-Y245 HydrophobicContact CG2-CE1 3.58Å
214	Q	85.7	Confident	90.7	Very high	121 Å²	121	32.9 Å²	32.9	57%	0.565	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-13.3	178.4	-54.6	-178.2	10.2	0	0	113.1	N212	N212-Q214 PolarHBondContact O-N 2.74Å; N212-Q214 WeakPolarHBondContact OD1-CB 3.36Å; N212-Q214 PolarHBondContact OD1-N 3.09Å
215	D	88.4	Confident	90.6	Very high	42 Å²	42	31.2 Å²	31.2	23%	0.225	16%	0.157	C	C	.	.			trans	-92.1	122	176.9	-168.7	-24.1	0	0	0	110.2	N212 V213 A217 C218 F263	N212-D215 HydrophobicContact CB-CB 4.07Å; N212-D215 PolarHBondContact O-N 2.93Å; N212-D215 VanDerWaalsContact O-N 3.12Å; V213-D215 VanDerWaalsContact C-N 3.31Å; D215-A217 VanDerWaalsContact C-N 3.33Å; D215-A217 WeakPolarHBondContact OD1-CB 3.45Å; D215-A217 PolarHBondContact OD1-N 3Å; D215-C218 HydrophobicContact CB-CB 4.23Å; D215-C218 WeakPolarHBondContact O-CB 3.49Å; D215-C218 PolarHBondContact O-N 2.93Å; D215-F263 HydrophobicContact CB-CB 4.48Å; D215-F263 VanDerWaalsContact OD2-CB 3.24Å; D215-F263 WeakPolarHBondContact OD2-CB 3.24Å
216	F	87.3	Confident	90.4	Very high	140 Å²	140	30.4 Å²	30.4	61%	0.614	15%	0.154	S	C	*	.	H	α-helix	trans	-69.4	-30.7	178.4	-171.7	-107.2	0	0	0	112.5	C218 Q219 C220	F216-C218 VanDerWaalsContact C-N 3.31Å; F216-C218 PolarHBondContact O-N 3.34Å; F216-Q219 WeakPolarHBondContact O-CB 3.46Å; F216-Q219 PolarHBondContact O-N 3.35Å; F216-C220 VanDerWaalsContact CE1-SG 3.5Å; F216-C220 PolarHBondContact O-N 3.03Å
217	A	88.9	Confident	90	Very high	40 Å²	40	33 Å²	33	33%	0.331	17%	0.172	S	C	.	.	H	α-helix	trans	-67.4	-33	177.3	0	0	0	0	0	111.7	D215 Q219 C220 L221 P264	D215-A217 VanDerWaalsContact C-N 3.33Å; D215-A217 WeakPolarHBondContact OD1-CB 3.45Å; D215-A217 PolarHBondContact OD1-N 3Å; A217-Q219 VanDerWaalsContact C-N 3.3Å; A217-Q219 PolarHBondContact O-N 3.03Å; A217-C220 PolarHBondContact O-N 3.49Å; A217-L221 PolarHBondContact O-N 3.43Å; A217-P264 HydrophobicContact CB-CG 4.23Å
218	C	89.3	Confident	89.8	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57.3	-42.7	167.8	-79.6	0	0	0	0	112	Q211 N212 D215 F216 L221 N222	Q211-C218 PolarHBondContact OE1-O 3.22Å; Q211-C218 VanDerWaalsContact OE1-O 3.12Å; N212-C218 PolarHBondContact N-SG 3.27Å; N212-C218 WeakPolarHBondContact O-CB 3.43Å; D215-C218 HydrophobicContact CB-CB 4.23Å; D215-C218 WeakPolarHBondContact O-CB 3.49Å; D215-C218 PolarHBondContact O-N 2.93Å; F216-C218 VanDerWaalsContact C-N 3.31Å; F216-C218 PolarHBondContact O-N 3.34Å; C218-L221 PolarHBondContact O-N 3.05Å; C218-N222 PolarHBondContact O-ND2 3.42Å
219	Q	84.6	Confident	89.5	Confident	22 Å²	22	40.3 Å²	40.3	10%	0.103	21%	0.211	C	C	.	.	H	α-helix	trans	-69.6	-38	178.5	-52	-62	-9.7	0	0	112.5	F180 V213 F216 A217 L221 N222 R223	F180-Q219 HydrophobicContact CD1-CB 4.05Å; V213-Q219 PolarHBondContact O-NE2 2.75Å; F216-Q219 WeakPolarHBondContact O-CB 3.46Å; F216-Q219 PolarHBondContact O-N 3.35Å; A217-Q219 VanDerWaalsContact C-N 3.3Å; A217-Q219 PolarHBondContact O-N 3.03Å; Q219-L221 VanDerWaalsContact C-N 3.29Å; Q219-L221 PolarHBondContact O-N 2.96Å; Q219-N222 PolarHBondContact O-N 3.35Å; Q219-R223 PolarHBondContact O-N 2.83Å
220	C	89.7	Confident	89.5	Confident	30 Å²	30	42.4 Å²	42.4	20%	0.203	23%	0.228	C	C	.	.	H	α-helix	trans	-57.3	-39.4	173.7	-76.2	0	0	0	0	112.5	F216 A217 N222 R223 D224	F216-C220 VanDerWaalsContact CE1-SG 3.5Å; F216-C220 PolarHBondContact O-N 3.03Å; A217-C220 PolarHBondContact O-N 3.49Å; C220-N222 VanDerWaalsContact C-N 3.33Å; C220-N222 PolarHBondContact O-N 2.95Å; C220-R223 PolarHBondContact O-N 2.85Å; C220-D224 WeakPolarHBondContact O-CB 3.15Å; C220-D224 PolarHBondContact O-N 3.21Å
221	L	91.1	Very high	89.5	Confident	6 Å²	6	42.4 Å²	42.4	3%	0.031	23%	0.228	C	C	.	.	I	π-helix	trans	-59.5	-42.1	177.2	-66.4	173.4	0	0	0	112.7	A217 C218 Q219 R223 V225 W226 P264 I266 L283	A217-L221 PolarHBondContact O-N 3.43Å; C218-L221 PolarHBondContact O-N 3.05Å; Q219-L221 VanDerWaalsContact C-N 3.29Å; Q219-L221 PolarHBondContact O-N 2.96Å; L221-R223 VanDerWaalsContact C-N 3.34Å; L221-R223 PolarHBondContact O-N 3.25Å; L221-V225 HydrophobicContact CD2-CB 4.25Å; L221-V225 HydrophobicContact CD2-CG2 3.82Å; L221-V225 WeakPolarHBondContact O-CA 3.48Å; L221-V225 WeakPolarHBondContact O-CB 3.33Å; L221-V225 PolarHBondContact O-N 2.91Å; L221-W226 PolarHBondContact O-N 3.19Å; L221-P264 HydrophobicContact CD1-CB 3.46Å; L221-P264 VanDerWaalsContact CD1-CB 3.46Å; L221-P264 HydrophobicContact CD1-CG 3.86Å; L221-I266 HydrophobicContact CD1-CD1 3.85Å; L221-L283 HydrophobicContact CD2-CB 3.99Å; L221-L283 HydrophobicContact CD2-CD2 4.39Å; L221-L283 VanDerWaalsContact CD2-O 3.3Å; L221-L283 WeakPolarHBondContact CD2-O 3.4Å
222	N	86.9	Confident	89.7	Confident	7 Å²	7	43.9 Å²	43.9	4%	0.037	24%	0.235	C	C	.	.	I	π-helix	trans	-63.6	-40.8	177.6	-58.7	-53.5	0	0	0	111.4	F180 Q211 C218 Q219 C220 S227 Q243	F180-N222 WeakPolarHBondContact O-CB 3.2Å; Q211-N222 PolarHBondContact OE1-ND2 3.4Å; Q211-N222 VanDerWaalsContact OE1-ND2 3.16Å; C218-N222 PolarHBondContact O-ND2 3.42Å; Q219-N222 PolarHBondContact O-N 3.35Å; C220-N222 VanDerWaalsContact C-N 3.33Å; C220-N222 PolarHBondContact O-N 2.95Å; N222-S227 PolarHBondContact O-N 3.39Å; N222-Q243 PolarHBondContact OD1-NE2 3.2Å
223	R	86.6	Confident	89.9	Confident	91 Å²	91	47 Å²	47	34%	0.343	25%	0.251	S	S	.	.	I	π-helix	trans	-78	-40.1	-178.3	-170.8	-168.4	67.8	-164.6	-7	114.5	L179 F180 Q219 C220 L221 S227	L179-R223 HydrophobicContact CB-CG 4.32Å; L179-R223 WeakPolarHBondContact O-CA 3.46Å; L179-R223 WeakPolarHBondContact O-CB 3.37Å; F180-R223 HydrophobicContact CD1-CB 3.91Å; F180-R223 HydrophobicContact CD1-CG 4.5Å; F180-R223 HydrophobicContact CE1-CB 4.05Å; F180-R223 HydrophobicContact CE1-CG 4.32Å; Q219-R223 PolarHBondContact O-N 2.83Å; C220-R223 PolarHBondContact O-N 2.85Å; L221-R223 VanDerWaalsContact C-N 3.34Å; L221-R223 PolarHBondContact O-N 3.25Å; R223-S227 VanDerWaalsContact O-CB 3.22Å; R223-S227 WeakPolarHBondContact O-CB 3.38Å; R223-S227 PolarHBondContact O-OG 3.24Å
224	D	89.3	Confident	90.4	Very high	66 Å²	66	46 Å²	46	35%	0.353	24%	0.244	S	C	.	.	I	π-helix	trans	-107.9	-31.1	-165.2	-57.7	-35.3	0	0	0	112.9	C220 V285	C220-D224 WeakPolarHBondContact O-CB 3.15Å; C220-D224 PolarHBondContact O-N 3.21Å; D224-V285 WeakPolarHBondContact O-CG2 3.45Å
225	V	93.4	Very high	90.9	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.018	22%	0.218	C	C	.	.	I	π-helix	trans	-105.6	-59.1	-174	-174.5	0	0	0	0	111.3	L221 S227 N228 V231 L283 V285 F288	L221-V225 HydrophobicContact CD2-CB 4.25Å; L221-V225 HydrophobicContact CD2-CG2 3.82Å; L221-V225 WeakPolarHBondContact O-CA 3.48Å; L221-V225 WeakPolarHBondContact O-CB 3.33Å; L221-V225 PolarHBondContact O-N 2.91Å; V225-S227 VanDerWaalsContact C-N 3.26Å; V225-S227 PolarHBondContact O-N 2.83Å; V225-N228 WeakPolarHBondContact O-CB 3.42Å; V225-N228 PolarHBondContact O-N 2.87Å; V225-V231 HydrophobicContact CG1-CG1 4.17Å; V225-V231 WeakPolarHBondContact O-CB 3.28Å; V225-V231 WeakPolarHBondContact O-CG1 3.5Å; V225-L283 HydrophobicContact CG1-CD2 4.49Å; V225-V285 HydrophobicContact CG2-CG2 4.47Å; V225-F288 HydrophobicContact CG1-CB 4.36Å
226	W	92.1	Very high	91.2	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-17.2	-177.3	-47.7	142.8	0	0	0	113.8	P183 N209 L221 N228 V231 K232 I235 F241 I266 L283 F288	P183-W226 HydrophobicContact CB-CB 3.95Å; P183-W226 HydrophobicContact CG-CB 3.81Å; P183-W226 HydrophobicContact CG-CG 4.12Å; N209-W226 PolarHBondContact ND2-NE1 3.39Å; L221-W226 PolarHBondContact O-N 3.19Å; W226-N228 VanDerWaalsContact C-N 3.3Å; W226-V231 HydrophobicContact CE3-CG1 3.84Å; W226-V231 HydrophobicContact CZ3-CG1 4.13Å; W226-K232 WeakPolarHBondContact O-CE 3.3Å; W226-K232 WeakPolarHBondContact O-CG 3.43Å; W226-I235 HydrophobicContact CE3-CD1 3.74Å; W226-I235 HydrophobicContact CZ3-CD1 3.78Å; W226-F241 HydrophobicContact CD2-CE2 4.25Å; W226-F241 HydrophobicContact CD2-CZ 4.08Å; W226-F241 AromaticContact CE2-CZ 3.9Å; W226-F241 HydrophobicContact CE3-CE2 4.3Å; W226-F241 HydrophobicContact CG-CZ 4.38Å; W226-F241 HydrophobicContact CH2-CE2 4.15Å; W226-F241 HydrophobicContact CZ2-CE2 4.07Å; W226-F241 HydrophobicContact CZ2-CZ 4.26Å; W226-F241 HydrophobicContact CZ3-CE2 4.26Å; W226-I266 HydrophobicContact CH2-CG1 4.3Å; W226-I266 HydrophobicContact CH2-CG2 4.45Å; W226-I266 HydrophobicContact CZ2-CG1 4.07Å; W226-L283 HydrophobicContact CH2-CD2 3.58Å; W226-L283 HydrophobicContact CZ2-CD2 4.22Å; W226-L283 HydrophobicContact CZ3-CD2 4.27Å; W226-F288 HydrophobicContact CZ3-CD2 4.1Å; W226-F288 HydrophobicContact CZ3-CE2 4Å
227	S	89.2	Confident	91.5	Very high	54 Å²	54	42.2 Å²	42.2	38%	0.378	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-21.3	172.5	69.7	0	0	0	0	113.2	N222 R223 V225 K232	N222-S227 PolarHBondContact O-N 3.39Å; R223-S227 VanDerWaalsContact O-CB 3.22Å; R223-S227 WeakPolarHBondContact O-CB 3.38Å; R223-S227 PolarHBondContact O-OG 3.24Å; V225-S227 VanDerWaalsContact C-N 3.26Å; V225-S227 PolarHBondContact O-N 2.83Å; S227-K232 VanDerWaalsContact C-CE 3.44Å; S227-K232 WeakPolarHBondContact O-CE 3.3Å; S227-K232 PolarHBondContact O-NZ 3.31Å
228	N	92.3	Very high	91.8	Very high	54 Å²	54	42.5 Å²	42.5	29%	0.289	22%	0.217	S	C	.	.			trans	-77.2	125.7	-173	-176.2	-67.6	0	0	0	111.5	V225 W226 A230 V231 K232 V285	V225-N228 WeakPolarHBondContact O-CB 3.42Å; V225-N228 PolarHBondContact O-N 2.87Å; W226-N228 VanDerWaalsContact C-N 3.3Å; N228-A230 VanDerWaalsContact C-N 3.33Å; N228-A230 PolarHBondContact O-N 2.68Å; N228-A230 WeakPolarHBondContact OD1-CB 3.24Å; N228-A230 PolarHBondContact OD1-N 3.34Å; N228-V231 HydrophobicContact CB-CB 4.12Å; N228-V231 HydrophobicContact CB-CG2 3.9Å; N228-V231 WeakPolarHBondContact O-CB 3.32Å; N228-V231 PolarHBondContact O-N 3.2Å; N228-V231 PolarHBondContact OD1-N 2.91Å; N228-K232 WeakPolarHBondContact O-CG 3.37Å; N228-K232 PolarHBondContact O-N 3.26Å; N228-V285 HydrophobicContact CB-CG2 4.37Å
229	D	92.3	Very high	92.1	Very high	101 Å²	101	42.8 Å²	42.8	54%	0.54	22%	0.218	S	C	.	.	H	α-helix	trans	-67.7	-27.4	-172.7	-63.3	-44.4	0	0	0	114.2	K232 N233	D229-K232 WeakPolarHBondContact OD1-CD 3.42Å; D229-K232 IonicContact OD1-NZ 3.83Å; D229-K232 PolarHBondContact OD1-NZ 3.38Å; D229-N233 WeakPolarHBondContact O-CB 3.34Å; D229-N233 PolarHBondContact O-N 3.17Å; D229-N233 PolarHBondContact O-ND2 3.31Å; D229-N233 PolarHBondContact O-OD1 2.94Å
230	A	93.9	Very high	92.7	Very high	43 Å²	43	42.3 Å²	42.3	36%	0.355	22%	0.217	S	C	.	.	H	α-helix	trans	-69.6	-42	173.6	0	0	0	0	0	111.4	N228 N233 I234 M289	N228-A230 VanDerWaalsContact C-N 3.33Å; N228-A230 PolarHBondContact O-N 2.68Å; N228-A230 WeakPolarHBondContact OD1-CB 3.24Å; N228-A230 PolarHBondContact OD1-N 3.34Å; A230-N233 PolarHBondContact O-N 3.04Å; A230-I234 PolarHBondContact O-N 3.41Å; A230-M289 HydrophobicContact CB-CE 4.2Å; A230-M289 HydrophobicContact CB-SD 4.24Å
231	V	95.4	Very high	93	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.7	-49.1	172.9	174.5	0	0	0	0	110.4	V225 W226 N228 N233 I234 I235 V285 F288 M289	V225-V231 HydrophobicContact CG1-CG1 4.17Å; V225-V231 WeakPolarHBondContact O-CB 3.28Å; V225-V231 WeakPolarHBondContact O-CG1 3.5Å; W226-V231 HydrophobicContact CE3-CG1 3.84Å; W226-V231 HydrophobicContact CZ3-CG1 4.13Å; N228-V231 HydrophobicContact CB-CB 4.12Å; N228-V231 HydrophobicContact CB-CG2 3.9Å; N228-V231 WeakPolarHBondContact O-CB 3.32Å; N228-V231 PolarHBondContact O-N 3.2Å; N228-V231 PolarHBondContact OD1-N 2.91Å; V231-N233 VanDerWaalsContact C-N 3.3Å; V231-N233 PolarHBondContact O-N 3.01Å; V231-I234 PolarHBondContact O-N 3.39Å; V231-I235 HydrophobicContact CG1-CD1 3.73Å; V231-I235 HydrophobicContact CG1-CG1 4.5Å; V231-I235 VanDerWaalsContact O-CG1 3.3Å; V231-I235 WeakPolarHBondContact O-CG1 3.41Å; V231-I235 PolarHBondContact O-N 3.33Å; V231-V285 HydrophobicContact CG2-CG1 4.18Å; V231-F288 HydrophobicContact CB-CD1 4.23Å; V231-F288 HydrophobicContact CB-CE1 4.23Å; V231-F288 HydrophobicContact CG1-CD1 3.82Å; V231-F288 HydrophobicContact CG1-CE1 3.7Å; V231-F288 HydrophobicContact CG1-CG 4.33Å; V231-F288 HydrophobicContact CG1-CZ 4.1Å; V231-F288 HydrophobicContact CG2-CD1 3.81Å; V231-F288 HydrophobicContact CG2-CE1 4.29Å; V231-M289 HydrophobicContact CG2-SD 4.32Å
232	K	93.7	Very high	93.3	Very high	35 Å²	35	40.9 Å²	40.9	15%	0.152	21%	0.207	C	C	.	.	H	α-helix	trans	-55.6	-42.4	175.5	-69.2	177.6	-160.2	153.7	0	112.4	L186 W226 S227 N228 D229 I235 R236	L186-K232 HydrophobicContact CD1-CG 4.15Å; L186-K232 HydrophobicContact CD2-CB 3.97Å; L186-K232 HydrophobicContact CD2-CG 4.14Å; L186-K232 HydrophobicContact CG-CG 4.45Å; W226-K232 WeakPolarHBondContact O-CE 3.3Å; W226-K232 WeakPolarHBondContact O-CG 3.43Å; S227-K232 VanDerWaalsContact C-CE 3.44Å; S227-K232 WeakPolarHBondContact O-CE 3.3Å; S227-K232 PolarHBondContact O-NZ 3.31Å; N228-K232 WeakPolarHBondContact O-CG 3.37Å; N228-K232 PolarHBondContact O-N 3.26Å; D229-K232 WeakPolarHBondContact OD1-CD 3.42Å; D229-K232 IonicContact OD1-NZ 3.83Å; D229-K232 PolarHBondContact OD1-NZ 3.38Å; K232-I235 PolarHBondContact O-N 3.18Å; K232-R236 WeakPolarHBondContact O-CG 3.48Å; K232-R236 PolarHBondContact O-N 3.31Å; K232-R236 PolarHBondContact O-NH1 2.92Å
233	N	94.3	Very high	93.6	Very high	87 Å²	87	41.3 Å²	41.3	47%	0.465	21%	0.208	S	C	.	.	H	α-helix	trans	-64.4	-50.6	-177.9	-69.6	-9.5	0	0	0	111.3	D229 A230 V231 I235 R236 E237	D229-N233 WeakPolarHBondContact O-CB 3.34Å; D229-N233 PolarHBondContact O-N 3.17Å; D229-N233 PolarHBondContact O-ND2 3.31Å; D229-N233 PolarHBondContact O-OD1 2.94Å; A230-N233 PolarHBondContact O-N 3.04Å; V231-N233 VanDerWaalsContact C-N 3.3Å; V231-N233 PolarHBondContact O-N 3.01Å; N233-I235 VanDerWaalsContact C-N 3.26Å; N233-I235 PolarHBondContact O-N 2.99Å; N233-R236 PolarHBondContact O-N 3.19Å; N233-R236 PolarHBondContact OD1-NH1 3.17Å; N233-E237 WeakPolarHBondContact O-CB 3.42Å; N233-E237 PolarHBondContact O-N 2.98Å
234	I	94.9	Very high	93.8	Very high	24 Å²	24	37.9 Å²	37.9	12%	0.123	20%	0.198	C	C	.	.	H	α-helix	trans	-56.1	-42.1	175.2	-69.7	173.8	0	0	0	111.2	A230 V231 H238 F239 F288 M289 A292 T293	A230-I234 PolarHBondContact O-N 3.41Å; V231-I234 PolarHBondContact O-N 3.39Å; I234-H238 PolarHBondContact O-N 3.36Å; I234-H238 VanDerWaalsContact O-N 3.11Å; I234-F239 HydrophobicContact CG2-CE2 4.13Å; I234-F288 HydrophobicContact CB-CE1 4.39Å; I234-F288 HydrophobicContact CG2-CE1 4.09Å; I234-F288 HydrophobicContact CG2-CZ 4.28Å; I234-M289 HydrophobicContact CD1-CE 3.68Å; I234-M289 HydrophobicContact CD1-SD 3.51Å; I234-M289 VanDerWaalsContact CD1-SD 3.51Å; I234-A292 HydrophobicContact CG2-CB 4.38Å; I234-T293 HydrophobicContact CD1-CG2 4.22Å
235	I	95.8	Very high	94	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-63	-54.7	177.6	-68.7	171.3	0	0	0	111	L186 M207 W226 V231 K232 N233 E237 F239 F241 F288	L186-I235 HydrophobicContact CB-CG2 4.31Å; L186-I235 HydrophobicContact CD1-CB 4.34Å; L186-I235 HydrophobicContact CD1-CD1 3.91Å; L186-I235 HydrophobicContact CD1-CG2 4.06Å; L186-I235 HydrophobicContact CD2-CB 4.45Å; L186-I235 HydrophobicContact CD2-CG2 4.21Å; L186-I235 HydrophobicContact CG-CG2 4.44Å; M207-I235 HydrophobicContact SD-CD1 4.36Å; M207-I235 HydrophobicContact SD-CG1 4.28Å; W226-I235 HydrophobicContact CE3-CD1 3.74Å; W226-I235 HydrophobicContact CZ3-CD1 3.78Å; V231-I235 HydrophobicContact CG1-CD1 3.73Å; V231-I235 HydrophobicContact CG1-CG1 4.5Å; V231-I235 VanDerWaalsContact O-CG1 3.3Å; V231-I235 WeakPolarHBondContact O-CG1 3.41Å; V231-I235 PolarHBondContact O-N 3.33Å; K232-I235 PolarHBondContact O-N 3.18Å; N233-I235 VanDerWaalsContact C-N 3.26Å; N233-I235 PolarHBondContact O-N 2.99Å; I235-E237 PolarHBondContact O-N 3.31Å; I235-F239 HydrophobicContact CG2-CB 4.44Å; I235-F239 CarbonylContact O-C 3.54Å; I235-F239 WeakPolarHBondContact O-CA 3.4Å; I235-F239 WeakPolarHBondContact O-CB 3.41Å; I235-F239 PolarHBondContact O-N 3.47Å; I235-F241 HydrophobicContact CD1-CD2 4.2Å; I235-F241 HydrophobicContact CD1-CE2 4.32Å; I235-F241 HydrophobicContact CG2-CB 3.59Å; I235-F241 HydrophobicContact CG2-CD2 4.04Å; I235-F241 HydrophobicContact CG2-CG 4.04Å; I235-F288 HydrophobicContact CD1-CE2 4.44Å; I235-F288 HydrophobicContact CD1-CZ 4.06Å; I235-F288 HydrophobicContact CG1-CE2 4.46Å; I235-F288 HydrophobicContact CG1-CZ 3.77Å
236	R	94	Very high	93.9	Very high	94 Å²	94	39.1 Å²	39.1	36%	0.355	20%	0.199	S	C	.	.	H	α-helix	trans	-60.9	-32.4	-177.9	-66.1	-170.2	-138.9	89.3	-12.3	113.3	E185 L186 K204 K232 N233	E185-R236 IonicContact OE2-NH2 2.7Å; L186-R236 HydrophobicContact CD2-CG 3.47Å; L186-R236 VanDerWaalsContact CD2-CG 3.47Å; K204-R236 PolarHBondContact NZ-O 2.98Å; K232-R236 WeakPolarHBondContact O-CG 3.48Å; K232-R236 PolarHBondContact O-N 3.31Å; K232-R236 PolarHBondContact O-NH1 2.92Å; N233-R236 PolarHBondContact O-N 3.19Å; N233-R236 PolarHBondContact OD1-NH1 3.17Å
237	E	93.5	Very high	93.8	Very high	127 Å²	127	43.6 Å²	43.6	59%	0.593	22%	0.223	S	C	*	.	H	α-helix	trans	-78.6	-45.2	-176.6	-165.7	173.1	157.2	0	0	112.8	K204 N233 I235	K204-E237 VanDerWaalsContact CE-O 3.26Å; K204-E237 WeakPolarHBondContact CE-O 3.48Å; N233-E237 WeakPolarHBondContact O-CB 3.42Å; N233-E237 PolarHBondContact O-N 2.98Å; I235-E237 PolarHBondContact O-N 3.31Å
238	H	95	Very high	93.9	Very high	46 Å²	46	42.8 Å²	42.8	21%	0.213	22%	0.217	C	C	.	.	H	α-helix	trans	-112.7	-11	-170.1	-52.3	-54.7	0	0	0	115.3	K204 W205 I234 L296	K204-H238 WeakPolarHBondContact CA-O 3.44Å; K204-H238 WeakPolarHBondContact CB-O 3.37Å; W205-H238 PolarHBondContact N-O 2.96Å; I234-H238 PolarHBondContact O-N 3.36Å; I234-H238 VanDerWaalsContact O-N 3.11Å; H238-L296 HydrophobicContact CB-CD1 3.91Å; H238-L296 HydrophobicContact CB-CD2 3.9Å; H238-L296 WeakPolarHBondContact CD2-CD1 3.19Å
239	F	96.9	Very high	93.8	Very high	6 Å²	6	48.1 Å²	48.1	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	144.4	-170.5	-61.3	-83.3	0	0	0	113.9	W205 M207 I234 I235 I268 F295 L296	W205-F239 HydrophobicContact CB-CD1 3.54Å; W205-F239 HydrophobicContact CB-CE1 3.6Å; W205-F239 HydrophobicContact CG-CE1 4.3Å; W205-F239 CarbonylContact O-C 3.51Å; W205-F239 WeakPolarHBondContact O-CA 3.19Å; M207-F239 HydrophobicContact CB-CB 4.08Å; M207-F239 HydrophobicContact CB-CD1 3.97Å; M207-F239 HydrophobicContact CB-CG 4.24Å; M207-F239 HydrophobicContact CE-CD1 3.72Å; M207-F239 HydrophobicContact CE-CD2 3.87Å; M207-F239 HydrophobicContact CE-CE1 3.78Å; M207-F239 HydrophobicContact CE-CE2 3.9Å; M207-F239 HydrophobicContact CE-CG 3.78Å; M207-F239 HydrophobicContact CE-CZ 3.86Å; I234-F239 HydrophobicContact CG2-CE2 4.13Å; I235-F239 HydrophobicContact CG2-CB 4.44Å; I235-F239 CarbonylContact O-C 3.54Å; I235-F239 WeakPolarHBondContact O-CA 3.4Å; I235-F239 WeakPolarHBondContact O-CB 3.41Å; I235-F239 PolarHBondContact O-N 3.47Å; F239-I268 HydrophobicContact CD1-CG2 4.42Å; F239-I268 HydrophobicContact CE1-CD1 3.55Å; F239-I268 HydrophobicContact CE1-CG1 3.82Å; F239-I268 HydrophobicContact CE1-CG2 3.89Å; F239-I268 HydrophobicContact CZ-CD1 3.82Å; F239-F295 HydrophobicContact CE1-CE1 4.44Å; F239-F295 HydrophobicContact CZ-CD1 4.36Å; F239-L296 HydrophobicContact CE2-CD1 3.98Å; F239-L296 HydrophobicContact CE2-CD2 4.44Å; F239-L296 HydrophobicContact CE2-CG 4.42Å; F239-L296 HydrophobicContact CZ-CD1 4.22Å; F239-L296 HydrophobicContact CZ-CD2 4.08Å; F239-L296 HydrophobicContact CZ-CG 4.16Å
240	I	96.6	Very high	93.8	Very high	13 Å²	13	45.3 Å²	45.3	7%	0.067	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	114.1	157.2	-56.3	-55.6	0	0	0	106.9	H188 A195 C198 K204 W205 L206 M207	H188-I240 HydrophobicContact CB-CG2 3.86Å; A195-I240 HydrophobicContact CB-CG2 4.4Å; C198-I240 HydrophobicContact CB-CD1 4.33Å; C198-I240 HydrophobicContact CB-CG1 4.46Å; K204-I240 HydrophobicContact CB-CD1 4.15Å; K204-I240 HydrophobicContact CB-CG1 4.05Å; K204-I240 HydrophobicContact CD-CD1 3.95Å; W205-I240 PolarHBondContact O-N 3.09Å; L206-I240 HydrophobicContact CD1-CB 4.2Å; L206-I240 HydrophobicContact CD1-CG2 4.17Å; M207-I240 PolarHBondContact N-O 3.1Å
241	F	96.8	Very high	93.7	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.009	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	111.5	-177.2	-175.4	-96.2	0	0	0	110.8	P183 L186 M187 H188 M207 N209 W226 I235 Q243	P183-F241 HydrophobicContact CG-CD1 4.37Å; P183-F241 HydrophobicContact CG-CE1 3.57Å; P183-F241 HydrophobicContact CG-CZ 4.07Å; L186-F241 HydrophobicContact CB-CB 4.23Å; L186-F241 HydrophobicContact CB-CD1 3.89Å; L186-F241 HydrophobicContact CB-CG 4.21Å; M187-F241 WeakPolarHBondContact CA-O 3.46Å; M187-F241 HydrophobicContact CG-CD1 4.02Å; M187-F241 HydrophobicContact CG-CE1 4.11Å; H188-F241 PolarHBondContact N-O 3.26Å; M207-F241 HydrophobicContact CB-CD2 4.38Å; M207-F241 HydrophobicContact CG-CD2 4.09Å; M207-F241 HydrophobicContact SD-CD2 3.9Å; M207-F241 HydrophobicContact SD-CE2 4.2Å; N209-F241 HydrophobicContact CB-CE2 4.19Å; N209-F241 HydrophobicContact CB-CZ 4Å; W226-F241 HydrophobicContact CD2-CE2 4.25Å; W226-F241 HydrophobicContact CD2-CZ 4.08Å; W226-F241 AromaticContact CE2-CZ 3.9Å; W226-F241 HydrophobicContact CE3-CE2 4.3Å; W226-F241 HydrophobicContact CG-CZ 4.38Å; W226-F241 HydrophobicContact CH2-CE2 4.15Å; W226-F241 HydrophobicContact CZ2-CE2 4.07Å; W226-F241 HydrophobicContact CZ2-CZ 4.26Å; W226-F241 HydrophobicContact CZ3-CE2 4.26Å; I235-F241 HydrophobicContact CD1-CD2 4.2Å; I235-F241 HydrophobicContact CD1-CE2 4.32Å; I235-F241 HydrophobicContact CG2-CB 3.59Å; I235-F241 HydrophobicContact CG2-CD2 4.04Å; I235-F241 HydrophobicContact CG2-CG 4.04Å; F241-Q243 HydrophobicContact CD1-CB 4.4Å; F241-Q243 HydrophobicContact CE1-CB 3.78Å; F241-Q243 VanDerWaalsContact CE1-OE1 3.24Å; F241-Q243 HydrophobicContact CZ-CB 4.36Å
242	W	96.1	Very high	93.7	Very high	4 Å²	4	48 Å²	48	2%	0.015	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	113.1	-178.5	-175	82.8	0	0	0	110.2	G190 F192 A195 L206 M207 I208 N209 I210 V244 E250 Y254	G190-W242 PolarHBondContact O-NE1 2.9Å; G190-W242 VanDerWaalsContact O-NE1 3.08Å; F192-W242 HydrophobicContact CB-CH2 3.87Å; F192-W242 HydrophobicContact CB-CZ2 3.66Å; F192-W242 HydrophobicContact CD2-CE3 4.33Å; F192-W242 HydrophobicContact CD2-CH2 4.1Å; F192-W242 HydrophobicContact CD2-CZ2 4.48Å; F192-W242 HydrophobicContact CD2-CZ3 4.03Å; F192-W242 HydrophobicContact CG-CH2 4.44Å; A195-W242 HydrophobicContact CB-CB 4.16Å; A195-W242 HydrophobicContact CB-CG 4.02Å; L206-W242 HydrophobicContact CD1-CB 4.17Å; M207-W242 PolarHBondContact O-N 3.15Å; I208-W242 WeakPolarHBondContact CA-O 3.07Å; I208-W242 HydrophobicContact CD1-CB 4.34Å; I208-W242 HydrophobicContact CD1-CD2 4.29Å; I208-W242 HydrophobicContact CD1-CE3 3.51Å; I208-W242 HydrophobicContact CD1-CZ3 4.11Å; I208-W242 HydrophobicContact CG2-CE3 4.03Å; I208-W242 HydrophobicContact CG2-CZ3 4.14Å; N209-W242 PolarHBondContact N-O 3Å; I210-W242 HydrophobicContact CD1-CZ3 4.11Å; W242-V244 HydrophobicContact CD2-CG1 4.13Å; W242-V244 HydrophobicContact CE3-CG1 4.31Å; W242-V244 HydrophobicContact CE3-CG2 4.23Å; W242-V244 HydrophobicContact CH2-CB 4.3Å; W242-V244 HydrophobicContact CH2-CG1 3.75Å; W242-V244 HydrophobicContact CH2-CG2 3.55Å; W242-V244 HydrophobicContact CZ2-CB 4.47Å; W242-V244 HydrophobicContact CZ2-CG1 3.46Å; W242-V244 VanDerWaalsContact CZ2-CG1 3.46Å; W242-V244 HydrophobicContact CZ2-CG2 4.19Å; W242-V244 HydrophobicContact CZ3-CG1 4.16Å; W242-V244 HydrophobicContact CZ3-CG2 3.57Å; W242-E250 HydrophobicContact CH2-CB 3.91Å; W242-E250 HydrophobicContact CZ2-CB 3.83Å; W242-E250 HydrophobicContact CZ2-CG 4.48Å; W242-E250 WeakPolarHBondContact CZ2-OE2 3.45Å; W242-Y254 HydrophobicContact CZ3-CD2 4.39Å
243	Q	93.1	Very high	93.7	Very high	15 Å²	15	53.2 Å²	53.2	7%	0.07	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	122.6	-175.1	171.4	168.3	-25.3	0	0	110.8	M187 N209 Q211 N222 F241	M187-Q243 HydrophobicContact CE-CB 4.12Å; M187-Q243 HydrophobicContact CE-CG 4.44Å; M187-Q243 HydrophobicContact CG-CB 4.24Å; M187-Q243 HydrophobicContact SD-CB 4.35Å; N209-Q243 HydrophobicContact CB-CB 4.17Å; N209-Q243 HydrophobicContact CB-CG 4.36Å; N209-Q243 PolarHBondContact ND2-OE1 3.22Å; N209-Q243 WeakPolarHBondContact O-CA 3.35Å; Q211-Q243 HydrophobicContact CG-CG 3.99Å; N222-Q243 PolarHBondContact OD1-NE2 3.2Å; F241-Q243 HydrophobicContact CD1-CB 4.4Å; F241-Q243 HydrophobicContact CE1-CB 3.78Å; F241-Q243 VanDerWaalsContact CE1-OE1 3.24Å; F241-Q243 HydrophobicContact CZ-CB 4.36Å
244	V	91.6	Very high	93.7	Very high	20 Å²	20	49.4 Å²	49.4	12%	0.121	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	156.6	177.7	-62.4	0	0	0	0	111.9	N209 I210 Q211 W242 E250	N209-V244 PolarHBondContact O-N 2.74Å; I210-V244 HydrophobicContact CD1-CG2 3.55Å; Q211-V244 PolarHBondContact N-O 3.25Å; W242-V244 HydrophobicContact CD2-CG1 4.13Å; W242-V244 HydrophobicContact CE3-CG1 4.31Å; W242-V244 HydrophobicContact CE3-CG2 4.23Å; W242-V244 HydrophobicContact CH2-CB 4.3Å; W242-V244 HydrophobicContact CH2-CG1 3.75Å; W242-V244 HydrophobicContact CH2-CG2 3.55Å; W242-V244 HydrophobicContact CZ2-CB 4.47Å; W242-V244 HydrophobicContact CZ2-CG1 3.46Å; W242-V244 VanDerWaalsContact CZ2-CG1 3.46Å; W242-V244 HydrophobicContact CZ2-CG2 4.19Å; W242-V244 HydrophobicContact CZ3-CG1 4.16Å; W242-V244 HydrophobicContact CZ3-CG2 3.57Å; V244-E250 HydrophobicContact CG1-CB 4.5Å
245	Y	92.9	Very high	93.7	Very high	57 Å²	57	49.7 Å²	49.7	22%	0.224	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	145.6	175	-63.5	-71.8	0	0	0	111.8	Q211 V213 D247 S248	Q211-Y245 HydrophobicContact CB-CD1 4.02Å; Q211-Y245 HydrophobicContact CB-CE1 4.39Å; Q211-Y245 CarbonylContact O-C 3.59Å; Q211-Y245 VanDerWaalsContact O-CA 3.3Å; Q211-Y245 WeakPolarHBondContact O-CA 3.33Å; V213-Y245 HydrophobicContact CG2-CD1 3.6Å; V213-Y245 HydrophobicContact CG2-CE1 3.58Å; Y245-D247 VanDerWaalsContact CB-OD1 3.3Å; Y245-D247 WeakPolarHBondContact CB-OD1 3.28Å; Y245-D247 PolarHBondContact O-N 2.7Å; Y245-D247 VanDerWaalsContact O-N 3.14Å; Y245-S248 WeakPolarHBondContact O-CB 3.24Å; Y245-S248 PolarHBondContact O-N 2.76Å; Y245-S248 PolarHBondContact O-OG 3.33Å
246	H	91.7	Very high	93.6	Very high	37 Å²	37	57.1 Å²	57.1	17%	0.171	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.4	-178.2	77.7	-41.3	0	0	0	114.6	I210 Q211 N212 Q252 I255 F263	I210-H246 HydrophobicContact CG2-CB 4.21Å; Q211-H246 PolarHBondContact O-N 2.9Å; N212-H246 PolarHBondContact OD1-CE1 2.89Å; N212-H246 PolarHBondContact OD1-NE2 2.82Å; H246-Q252 PolarHBondContact O-NE2 3.01Å; H246-I255 HydrophobicContact CB-CD1 3.97Å; H246-I255 WeakPolarHBondContact O-CD1 3.49Å; H246-F263 HydrophobicContact CB-CE1 3.94Å; H246-F263 HydrophobicContact CB-CZ 3.8Å
247	D	88.9	Confident	93.6	Very high	96 Å²	96	59.9 Å²	59.9	51%	0.513	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-0.5	-178.9	56.7	-48.7	0	0	0	113	Y245	Y245-D247 VanDerWaalsContact CB-OD1 3.3Å; Y245-D247 WeakPolarHBondContact CB-OD1 3.28Å; Y245-D247 PolarHBondContact O-N 2.7Å; Y245-D247 VanDerWaalsContact O-N 3.14Å
248	S	91.8	Very high	93.7	Very high	37 Å²	37	55.8 Å²	55.8	26%	0.259	26%	0.258	S	S	.	.	S	Bend	trans	-77.3	155.3	170	70.8	0	0	0	0	111.8	Y245 E250 G251 Q252	Y245-S248 WeakPolarHBondContact O-CB 3.24Å; Y245-S248 PolarHBondContact O-N 2.76Å; Y245-S248 PolarHBondContact O-OG 3.33Å; S248-E250 PolarHBondContact O-N 3.23Å; S248-G251 PolarHBondContact O-N 2.74Å; S248-G251 VanDerWaalsContact O-N 3.16Å; S248-G251 PolarHBondContact OG-N 2.95Å; S248-Q252 WeakPolarHBondContact O-CG 3.16Å; S248-Q252 PolarHBondContact O-N 3.48Å
249	E	90.9	Very high	93.6	Very high	165 Å²	165	61.9 Å²	61.9	77%	0.771	28%	0.284	S	S	*	.	H	α-helix	trans	-61.1	-30.8	177.8	-63.4	173.9	-172	0	0	112.9	R253	E249-R253 WeakPolarHBondContact O-CG 3.36Å; E249-R253 PolarHBondContact O-N 2.98Å; E249-R253 PolarHBondContact O-NE 3.42Å
250	E	91.6	Very high	93.3	Very high	42 Å²	42	62.7 Å²	62.7	20%	0.196	29%	0.288	C	S	.	.	H	α-helix	trans	-75.9	-43.6	174.5	-51.9	-133.7	92.6	0	0	111.4	S191 F192 W242 V244 S248 Q252 R253 Y254	S191-E250 VanDerWaalsContact CA-OE2 3.28Å; S191-E250 WeakPolarHBondContact CA-OE2 3.28Å; S191-E250 WeakPolarHBondContact CB-OE1 3.18Å; F192-E250 PolarHBondContact N-OE1 3.39Å; W242-E250 HydrophobicContact CH2-CB 3.91Å; W242-E250 HydrophobicContact CZ2-CB 3.83Å; W242-E250 HydrophobicContact CZ2-CG 4.48Å; W242-E250 WeakPolarHBondContact CZ2-OE2 3.45Å; V244-E250 HydrophobicContact CG1-CB 4.5Å; S248-E250 PolarHBondContact O-N 3.23Å; E250-Q252 PolarHBondContact O-N 3.33Å; E250-R253 VanDerWaalsContact CG-NH2 3.32Å; E250-R253 PolarHBondContact O-N 3.34Å; E250-R253 IonicContact OE1-CZ 2.77Å; E250-R253 IonicContact OE1-NH2 2.74Å; E250-R253 PolarHBondContact OE1-NH2 2.84Å; E250-Y254 WeakPolarHBondContact O-CB 3.46Å; E250-Y254 PolarHBondContact O-N 3.06Å
251	G	92.6	Very high	92.9	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-58.6	-45.7	174.3	0	0	0	0	0	112.1	S248 Y254 I255	S248-G251 PolarHBondContact O-N 2.74Å; S248-G251 VanDerWaalsContact O-N 3.16Å; S248-G251 PolarHBondContact OG-N 2.95Å; G251-Y254 PolarHBondContact O-N 3.48Å; G251-I255 WeakPolarHBondContact O-CB 3.48Å; G251-I255 WeakPolarHBondContact O-CD1 3.49Å; G251-I255 WeakPolarHBondContact O-CG1 3.36Å; G251-I255 PolarHBondContact O-N 3.02Å
252	Q	94.2	Very high	92.6	Very high	99 Å²	99	74 Å²	74	46%	0.463	34%	0.343	S	S	.	.	H	α-helix	trans	-64.1	-44.7	177.3	-74.4	-67.4	-42.3	0	0	112.6	H246 S248 E250 Y254 I255 Q256	H246-Q252 PolarHBondContact O-NE2 3.01Å; S248-Q252 WeakPolarHBondContact O-CG 3.16Å; S248-Q252 PolarHBondContact O-N 3.48Å; E250-Q252 PolarHBondContact O-N 3.33Å; Q252-Y254 VanDerWaalsContact C-N 3.32Å; Q252-Y254 PolarHBondContact O-N 3.07Å; Q252-I255 PolarHBondContact O-N 2.81Å; Q252-Q256 WeakPolarHBondContact O-CB 3.37Å; Q252-Q256 PolarHBondContact O-N 3.36Å
253	R	93.8	Very high	92.3	Very high	145 Å²	145	76.7 Å²	76.7	55%	0.547	36%	0.355	S	S	.	.	H	α-helix	trans	-58.7	-43.8	173.5	-77.2	-176.6	-66.8	146.1	2.9	111.6	E249 E250 Q256 F257	E249-R253 WeakPolarHBondContact O-CG 3.36Å; E249-R253 PolarHBondContact O-N 2.98Å; E249-R253 PolarHBondContact O-NE 3.42Å; E250-R253 VanDerWaalsContact CG-NH2 3.32Å; E250-R253 PolarHBondContact O-N 3.34Å; E250-R253 IonicContact OE1-CZ 2.77Å; E250-R253 IonicContact OE1-NH2 2.74Å; E250-R253 PolarHBondContact OE1-NH2 2.84Å; R253-Q256 PolarHBondContact O-N 2.8Å; R253-F257 WeakPolarHBondContact O-CB 3.4Å; R253-F257 PolarHBondContact O-N 3.08Å
254	Y	94.9	Very high	92.2	Very high	7 Å²	7	76.4 Å²	76.4	3%	0.027	35%	0.354	C	S	.	.	H	α-helix	trans	-65.8	-44.5	177.7	-168.9	-84.4	0	0	0	112.3	F192 I208 I210 W242 E250 G251 Q252 Q256 F257 Y258 L260 Y265 S267 L269	F192-Y254 HydrophobicContact CD2-CD2 4.1Å; F192-Y254 HydrophobicContact CD2-CE2 4.38Å; F192-Y254 AromaticContact CE2-CD2 3.87Å; F192-Y254 HydrophobicContact CE2-CD2 3.87Å; F192-Y254 AromaticContact CE2-CE2 3.77Å; F192-Y254 HydrophobicContact CE2-CE2 3.77Å; F192-Y254 HydrophobicContact CZ-CE2 4.41Å; I208-Y254 HydrophobicContact CB-CE2 4.42Å; I208-Y254 HydrophobicContact CD1-CE2 4.17Å; I208-Y254 HydrophobicContact CG1-CE2 3.89Å; I208-Y254 HydrophobicContact CG2-CD1 4.41Å; I208-Y254 HydrophobicContact CG2-CD2 4.45Å; I208-Y254 HydrophobicContact CG2-CE1 3.88Å; I208-Y254 HydrophobicContact CG2-CE2 3.92Å; I210-Y254 HydrophobicContact CD1-CD1 3.8Å; I210-Y254 HydrophobicContact CD1-CE1 4.3Å; I210-Y254 HydrophobicContact CD1-CG 4.15Å; I210-Y254 HydrophobicContact CG1-CD1 3.86Å; I210-Y254 HydrophobicContact CG1-CE1 4.11Å; W242-Y254 HydrophobicContact CZ3-CD2 4.39Å; E250-Y254 WeakPolarHBondContact O-CB 3.46Å; E250-Y254 PolarHBondContact O-N 3.06Å; G251-Y254 PolarHBondContact O-N 3.48Å; Q252-Y254 VanDerWaalsContact C-N 3.32Å; Q252-Y254 PolarHBondContact O-N 3.07Å; Y254-Q256 VanDerWaalsContact C-N 3.33Å; Y254-Q256 PolarHBondContact O-N 3.16Å; Y254-F257 PolarHBondContact O-N 2.96Å; Y254-Y258 AromaticContact CD1-CD2 3.87Å; Y254-Y258 HydrophobicContact CD1-CD2 3.87Å; Y254-Y258 AromaticContact CD2-CD2 3.59Å; Y254-Y258 HydrophobicContact CD2-CD2 3.59Å; Y254-Y258 AromaticContact CD2-CE2 3.53Å; Y254-Y258 HydrophobicContact CD2-CE2 3.53Å; Y254-Y258 AromaticContact CE1-CD2 3.63Å; Y254-Y258 HydrophobicContact CE1-CD2 3.63Å; Y254-Y258 HydrophobicContact CE1-CE2 4.35Å; Y254-Y258 HydrophobicContact CE1-CG 4.13Å; Y254-Y258 AromaticContact CE2-CD2 3.33Å; Y254-Y258 HydrophobicContact CE2-CD2 3.33Å; Y254-Y258 AromaticContact CE2-CE2 3.16Å; Y254-Y258 HydrophobicContact CE2-CE2 3.16Å; Y254-Y258 HydrophobicContact CE2-CG 4.34Å; Y254-Y258 AromaticContact CG-CD2 3.84Å; Y254-Y258 HydrophobicContact CG-CD2 3.84Å; Y254-Y258 HydrophobicContact CG-CE2 4.24Å; Y254-Y258 AromaticContact CZ-CD2 3.33Å; Y254-Y258 AromaticContact CZ-CE2 3.62Å; Y254-Y258 AromaticContact CZ-CG 3.96Å; Y254-Y258 WeakPolarHBondContact O-CD2 3.46Å; Y254-Y258 PolarHBondContact O-N 3.13Å; Y254-L260 HydrophobicContact CD1-CD1 3.75Å; Y254-L260 HydrophobicContact CD1-CG 4.47Å; Y254-L260 HydrophobicContact CE1-CD1 3.92Å; Y254-Y265 HydrophobicContact CE1-CD1 4.48Å; Y254-Y265 AromaticContact CE1-CE1 3.84Å; Y254-Y265 HydrophobicContact CE1-CE1 3.84Å; Y254-S267 PolarHBondContact OH-OG 3.36Å; Y254-L269 HydrophobicContact CE2-CD2 4.07Å; Y254-L269 WeakPolarHBondContact OH-CD1 3.47Å
255	I	94.2	Very high	92.4	Very high	30 Å²	30	75.6 Å²	75.6	15%	0.154	35%	0.349	C	S	.	.	H	α-helix	trans	-56.1	-46.1	174.6	-74.6	161.1	0	0	0	110.9	I210 H246 G251 Q252 K259 L260 F263	I210-I255 HydrophobicContact CG2-CD1 4.48Å; H246-I255 HydrophobicContact CB-CD1 3.97Å; H246-I255 WeakPolarHBondContact O-CD1 3.49Å; G251-I255 WeakPolarHBondContact O-CB 3.48Å; G251-I255 WeakPolarHBondContact O-CD1 3.49Å; G251-I255 WeakPolarHBondContact O-CG1 3.36Å; G251-I255 PolarHBondContact O-N 3.02Å; Q252-I255 PolarHBondContact O-N 2.81Å; I255-K259 WeakPolarHBondContact O-CA 3.27Å; I255-K259 PolarHBondContact O-N 3.01Å; I255-L260 HydrophobicContact CB-CB 4.37Å; I255-L260 HydrophobicContact CG1-CB 4.08Å; I255-L260 HydrophobicContact CG1-CD1 3.81Å; I255-L260 HydrophobicContact CG1-CG 4.27Å; I255-L260 HydrophobicContact CG2-CB 4.28Å; I255-L260 PolarHBondContact O-N 3.41Å; I255-L260 VanDerWaalsContact O-N 3.12Å; I255-F263 HydrophobicContact CD1-CZ 4.37Å
256	Q	94.8	Very high	92.6	Very high	158 Å²	158	72.9 Å²	72.9	74%	0.738	34%	0.338	S	S	*	.	H	α-helix	trans	-67.9	-40.7	-179.7	-170.8	179.5	13.1	0	0	112.5	Q252 R253 Y254	Q252-Q256 WeakPolarHBondContact O-CB 3.37Å; Q252-Q256 PolarHBondContact O-N 3.36Å; R253-Q256 PolarHBondContact O-N 2.8Å; Y254-Q256 VanDerWaalsContact C-N 3.33Å; Y254-Q256 PolarHBondContact O-N 3.16Å
257	F	94.5	Very high	92.8	Very high	151 Å²	151	71.1 Å²	71.1	66%	0.662	33%	0.33	S	S	*	.	H	α-helix	trans	-70.9	-50.6	-178.3	-170.1	-83.4	0	0	0	112.3	R253 Y254	R253-F257 WeakPolarHBondContact O-CB 3.4Å; R253-F257 PolarHBondContact O-N 3.08Å; Y254-F257 PolarHBondContact O-N 2.96Å
258	Y	95	Very high	93.2	Very high	41 Å²	41	66.5 Å²	66.5	16%	0.161	31%	0.306	C	S	.	.	H	α-helix	trans	-89.3	-0.6	-177.8	-64.2	-80.2	0	0	0	114.1	Y254 L269 G274 K276	Y254-Y258 AromaticContact CD1-CD2 3.87Å; Y254-Y258 HydrophobicContact CD1-CD2 3.87Å; Y254-Y258 AromaticContact CD2-CD2 3.59Å; Y254-Y258 HydrophobicContact CD2-CD2 3.59Å; Y254-Y258 AromaticContact CD2-CE2 3.53Å; Y254-Y258 HydrophobicContact CD2-CE2 3.53Å; Y254-Y258 AromaticContact CE1-CD2 3.63Å; Y254-Y258 HydrophobicContact CE1-CD2 3.63Å; Y254-Y258 HydrophobicContact CE1-CE2 4.35Å; Y254-Y258 HydrophobicContact CE1-CG 4.13Å; Y254-Y258 AromaticContact CE2-CD2 3.33Å; Y254-Y258 HydrophobicContact CE2-CD2 3.33Å; Y254-Y258 AromaticContact CE2-CE2 3.16Å; Y254-Y258 HydrophobicContact CE2-CE2 3.16Å; Y254-Y258 HydrophobicContact CE2-CG 4.34Å; Y254-Y258 AromaticContact CG-CD2 3.84Å; Y254-Y258 HydrophobicContact CG-CD2 3.84Å; Y254-Y258 HydrophobicContact CG-CE2 4.24Å; Y254-Y258 AromaticContact CZ-CD2 3.33Å; Y254-Y258 AromaticContact CZ-CE2 3.62Å; Y254-Y258 AromaticContact CZ-CG 3.96Å; Y254-Y258 WeakPolarHBondContact O-CD2 3.46Å; Y254-Y258 PolarHBondContact O-N 3.13Å; Y258-L269 HydrophobicContact CE1-CD2 4.42Å; Y258-L269 HydrophobicContact CE2-CD2 4.34Å; Y258-L269 WeakPolarHBondContact OH-CD2 3.22Å; Y258-G274 PolarHBondContact OH-O 2.87Å; Y258-K276 HydrophobicContact CD1-CB 4.37Å; Y258-K276 HydrophobicContact CE1-CB 4.28Å
259	K	92.9	Very high	93.5	Very high	175 Å²	175	64.8 Å²	64.8	76%	0.761	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	52.4	176.7	-58.5	-178.1	-178.3	178.7	0	113.5	I255	I255-K259 WeakPolarHBondContact O-CA 3.27Å; I255-K259 PolarHBondContact O-N 3.01Å
260	L	91.6	Very high	93.7	Very high	23 Å²	23	58 Å²	58	12%	0.12	26%	0.263	C	S	.	.			trans	-69	138.4	-178.6	-58.3	-170.1	0	0	0	112.3	I210 Y254 I255 Y265	I210-L260 HydrophobicContact CB-CD1 4.39Å; I210-L260 HydrophobicContact CG1-CD1 3.91Å; Y254-L260 HydrophobicContact CD1-CD1 3.75Å; Y254-L260 HydrophobicContact CD1-CG 4.47Å; Y254-L260 HydrophobicContact CE1-CD1 3.92Å; I255-L260 HydrophobicContact CB-CB 4.37Å; I255-L260 HydrophobicContact CG1-CB 4.08Å; I255-L260 HydrophobicContact CG1-CD1 3.81Å; I255-L260 HydrophobicContact CG1-CG 4.27Å; I255-L260 HydrophobicContact CG2-CB 4.28Å; I255-L260 PolarHBondContact O-N 3.41Å; I255-L260 VanDerWaalsContact O-N 3.12Å; L260-Y265 HydrophobicContact CD1-CD1 3.82Å; L260-Y265 HydrophobicContact CD1-CD2 4.47Å; L260-Y265 HydrophobicContact CD1-CE1 4.11Å; L260-Y265 HydrophobicContact CD1-CG 4.03Å; L260-Y265 HydrophobicContact CD2-CD1 4.04Å; L260-Y265 HydrophobicContact CD2-CD2 3.62Å; L260-Y265 HydrophobicContact CD2-CE1 3.75Å; L260-Y265 HydrophobicContact CD2-CE2 3.24Å; L260-Y265 HydrophobicContact CD2-CG 3.99Å
261	N	88.3	Confident	93.9	Very high	131 Å²	131	56 Å²	56	70%	0.701	25%	0.254	S	S	*	.			trans	-140	7.3	-178.6	64.6	10.8	0	0	0	114.5
262	K	89.6	Confident	93.8	Very high	121 Å²	121	60.7 Å²	60.7	53%	0.526	27%	0.271	S	S	.	.	S	Bend	trans	-143.5	155.3	-176	-75.8	171.5	-172.1	173.1	0	110.7	N281	K262-N281 WeakPolarHBondContact CB-OD1 3.47Å
263	F	90	Very high	93.7	Very high	60 Å²	60	59.9 Å²	59.9	26%	0.263	27%	0.273	S	S	.	.	S	Bend	trans	-136.5	155.7	171.5	-63.4	-73	0	0	0	109.2	I210 N212 D215 H246 I255	I210-F263 HydrophobicContact CG2-CE1 3.93Å; N212-F263 HydrophobicContact CB-CB 4.46Å; N212-F263 HydrophobicContact CB-CD1 4.17Å; N212-F263 HydrophobicContact CB-CD2 4.18Å; N212-F263 HydrophobicContact CB-CG 3.99Å; D215-F263 HydrophobicContact CB-CB 4.48Å; D215-F263 VanDerWaalsContact OD2-CB 3.24Å; D215-F263 WeakPolarHBondContact OD2-CB 3.24Å; H246-F263 HydrophobicContact CB-CE1 3.94Å; H246-F263 HydrophobicContact CB-CZ 3.8Å; I255-F263 HydrophobicContact CD1-CZ 4.37Å
264	P	90.9	Very high	93.6	Very high	10 Å²	10	53.9 Å²	53.9	7%	0.065	26%	0.256	C	S	.	.	S	Bend	cis	-63	155.9	-13.4	31.3	-36	0	0	0	110.8	A217 L221 I266 N281	A217-P264 HydrophobicContact CB-CG 4.23Å; L221-P264 HydrophobicContact CD1-CB 3.46Å; L221-P264 VanDerWaalsContact CD1-CB 3.46Å; L221-P264 HydrophobicContact CD1-CG 3.86Å; P264-I266 HydrophobicContact CB-CD1 4.44Å; P264-N281 WeakPolarHBondContact O-CA 3.4Å
265	Y	95.3	Very high	93.5	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.008	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	119.9	179.9	-180	-85.5	0	0	0	111.3	I210 Y254 L260 S267 K276 E279	I210-Y265 HydrophobicContact CB-CD1 4.43Å; I210-Y265 HydrophobicContact CG1-CD1 4.01Å; I210-Y265 PolarHBondContact N-O 3.48Å; Y254-Y265 HydrophobicContact CE1-CD1 4.48Å; Y254-Y265 AromaticContact CE1-CE1 3.84Å; Y254-Y265 HydrophobicContact CE1-CE1 3.84Å; L260-Y265 HydrophobicContact CD1-CD1 3.82Å; L260-Y265 HydrophobicContact CD1-CD2 4.47Å; L260-Y265 HydrophobicContact CD1-CE1 4.11Å; L260-Y265 HydrophobicContact CD1-CG 4.03Å; L260-Y265 HydrophobicContact CD2-CD1 4.04Å; L260-Y265 HydrophobicContact CD2-CD2 3.62Å; L260-Y265 HydrophobicContact CD2-CE1 3.75Å; L260-Y265 HydrophobicContact CD2-CE2 3.24Å; L260-Y265 HydrophobicContact CD2-CG 3.99Å; Y265-S267 WeakPolarHBondContact CE1-OG 3.39Å; Y265-S267 WeakPolarHBondContact OH-CB 3.3Å; Y265-S267 PolarHBondContact OH-OG 2.66Å; Y265-K276 WeakPolarHBondContact OH-CD 3.06Å; Y265-K276 PolarHBondContact OH-NZ 3.12Å; Y265-E279 HydrophobicContact CD2-CG 4.24Å; Y265-E279 HydrophobicContact CE2-CG 3.54Å
266	I	96.4	Very high	93.6	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	140.1	173.1	-48.2	86.5	0	0	0	108.5	M207 I208 L221 W226 P264 W280 L283	M207-I266 HydrophobicContact CG-CG2 4.18Å; M207-I266 HydrophobicContact SD-CG2 4.49Å; I208-I266 CarbonylContact O-C 3.52Å; I208-I266 VanDerWaalsContact O-CA 3.27Å; I208-I266 WeakPolarHBondContact O-CA 3.37Å; I208-I266 WeakPolarHBondContact O-CG2 3.4Å; L221-I266 HydrophobicContact CD1-CD1 3.85Å; W226-I266 HydrophobicContact CH2-CG1 4.3Å; W226-I266 HydrophobicContact CH2-CG2 4.45Å; W226-I266 HydrophobicContact CZ2-CG1 4.07Å; P264-I266 HydrophobicContact CB-CD1 4.44Å; I266-W280 HydrophobicContact CB-CB 4.36Å; I266-W280 HydrophobicContact CB-CE3 4.2Å; I266-W280 HydrophobicContact CG2-CE3 3.81Å; I266-W280 HydrophobicContact CG2-CZ3 4.28Å; I266-W280 PolarHBondContact N-O 3.27Å; I266-W280 PolarHBondContact O-N 2.97Å; I266-L283 HydrophobicContact CD1-CB 4.2Å; I266-L283 HydrophobicContact CD1-CD2 3.89Å; I266-L283 HydrophobicContact CG1-CD2 3.98Å
267	S	96.9	Very high	93.6	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	146.2	171	57.4	0	0	0	0	112.4	I208 Y254 Y265 L269 V278	I208-S267 PolarHBondContact N-O 3.41Å; I208-S267 PolarHBondContact O-N 3.14Å; Y254-S267 PolarHBondContact OH-OG 3.36Å; Y265-S267 WeakPolarHBondContact CE1-OG 3.39Å; Y265-S267 WeakPolarHBondContact OH-CB 3.3Å; Y265-S267 PolarHBondContact OH-OG 2.66Å; S267-L269 WeakPolarHBondContact OG-CD1 3.3Å; S267-V278 VanDerWaalsContact CA-O 3.27Å; S267-V278 WeakPolarHBondContact CA-O 3.49Å; S267-V278 WeakPolarHBondContact CB-O 3.37Å
268	I	97.4	Very high	93.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	130.3	169.5	-55.7	165.9	0	0	0	108.7	W205 L206 M207 F239 M277 V278 W280 F295	W205-I268 HydrophobicContact CB-CG2 3.78Å; W205-I268 HydrophobicContact CE3-CG2 4.45Å; W205-I268 HydrophobicContact CG-CG2 4.35Å; L206-I268 WeakPolarHBondContact O-CA 3.44Å; M207-I268 HydrophobicContact CE-CD1 4.31Å; M207-I268 HydrophobicContact CE-CG1 4.13Å; F239-I268 HydrophobicContact CD1-CG2 4.42Å; F239-I268 HydrophobicContact CE1-CD1 3.55Å; F239-I268 HydrophobicContact CE1-CG1 3.82Å; F239-I268 HydrophobicContact CE1-CG2 3.89Å; F239-I268 HydrophobicContact CZ-CD1 3.82Å; I268-M277 PolarHBondContact O-N 3.45Å; I268-V278 HydrophobicContact CB-CG2 3.92Å; I268-V278 HydrophobicContact CD1-CG2 3.82Å; I268-V278 HydrophobicContact CG1-CG2 3.93Å; I268-V278 PolarHBondContact N-O 3.16Å; I268-V278 PolarHBondContact O-N 3.3Å; I268-W280 HydrophobicContact CD1-CH2 3.59Å; I268-W280 HydrophobicContact CD1-CZ2 3.91Å; I268-W280 HydrophobicContact CD1-CZ3 4.37Å; I268-W280 HydrophobicContact CG1-CH2 4.24Å; I268-F295 HydrophobicContact CB-CZ 4.47Å; I268-F295 HydrophobicContact CD1-CB 4.43Å; I268-F295 HydrophobicContact CD1-CD1 3.64Å; I268-F295 HydrophobicContact CD1-CD2 4.41Å; I268-F295 HydrophobicContact CD1-CE1 4Å; I268-F295 HydrophobicContact CD1-CG 3.87Å; I268-F295 HydrophobicContact CG2-CE1 3.8Å; I268-F295 HydrophobicContact CG2-CZ 3.8Å
269	L	97.1	Very high	93.6	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	146.4	175.6	-86.9	58.6	0	0	0	110.1	F192 L206 I208 Y254 Y258 S267 P271 Q275 K276	F192-L269 HydrophobicContact CE2-CD2 4.01Å; F192-L269 HydrophobicContact CZ-CD2 4Å; L206-L269 HydrophobicContact CB-CB 4.18Å; L206-L269 HydrophobicContact CD2-CB 4.48Å; L206-L269 HydrophobicContact CG-CB 4.46Å; L206-L269 PolarHBondContact N-O 2.86Å; L206-L269 PolarHBondContact O-N 3.05Å; I208-L269 HydrophobicContact CG1-CD1 4.03Å; I208-L269 HydrophobicContact CG1-CD2 4.09Å; Y254-L269 HydrophobicContact CE2-CD2 4.07Å; Y254-L269 WeakPolarHBondContact OH-CD1 3.47Å; Y258-L269 HydrophobicContact CE1-CD2 4.42Å; Y258-L269 HydrophobicContact CE2-CD2 4.34Å; Y258-L269 WeakPolarHBondContact OH-CD2 3.22Å; S267-L269 WeakPolarHBondContact OG-CD1 3.3Å; L269-P271 WeakPolarHBondContact O-CD 3.46Å; L269-Q275 CarbonylContact C-O 3.59Å; L269-Q275 VanDerWaalsContact CA-O 3.29Å; L269-Q275 WeakPolarHBondContact CA-O 3.22Å; L269-K276 HydrophobicContact CD1-CB 4.02Å; L269-K276 HydrophobicContact CD1-CG 4.15Å; L269-K276 HydrophobicContact CG-CB 4.47Å
270	D	96.1	Very high	93.7	Very high	22 Å²	22	44.9 Å²	44.9	12%	0.118	22%	0.222	C	C	.	.			trans	-70.8	117.9	159.1	171.1	19.2	0	0	0	109.1	W205 R272 T273 G274 Q275 M277	W205-D270 HydrophobicContact CZ3-CB 3.98Å; D270-R272 PolarHBondContact O-N 3.08Å; D270-R272 WeakPolarHBondContact OD1-CB 3.36Å; D270-R272 PolarHBondContact OD1-N 3.12Å; D270-T273 VanDerWaalsContact OD2-CB 3.25Å; D270-T273 WeakPolarHBondContact OD2-CB 3.48Å; D270-T273 WeakPolarHBondContact OD2-CG2 3.48Å; D270-T273 PolarHBondContact OD2-N 3.27Å; D270-T273 PolarHBondContact OD2-OG1 3.49Å; D270-G274 VanDerWaalsContact O-CA 3.28Å; D270-G274 WeakPolarHBondContact O-CA 3.48Å; D270-G274 PolarHBondContact O-N 3.41Å; D270-Q275 PolarHBondContact N-O 3.42Å; D270-M277 HydrophobicContact CB-SD 4.36Å
271	P	94.5	Very high	93.7	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-20.8	178.6	30.7	-37.5	0	0	0	113.3	K196 Q200 L206 L269 L302	K196-P271 HydrophobicContact CB-CB 4.32Å; K196-P271 WeakPolarHBondContact O-CB 3.46Å; Q200-P271 HydrophobicContact CG-CB 4.09Å; Q200-P271 HydrophobicContact CG-CG 4.42Å; Q200-P271 PolarHBondContact NE2-O 3.13Å; L206-P271 HydrophobicContact CB-CB 4.35Å; L269-P271 WeakPolarHBondContact O-CD 3.46Å; P271-L302 HydrophobicContact CG-CD1 3.73Å
272	R	90.6	Very high	93.8	Very high	97 Å²	97	47.7 Å²	47.7	37%	0.366	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-42.9	-177.7	-62.1	169.4	176.5	170.4	-0.6	112.2	Q200 N203 D270 L302 D303	Q200-R272 HydrophobicContact CG-CG 3.89Å; N203-R272 PolarHBondContact OD1-NH2 2.93Å; D270-R272 PolarHBondContact O-N 3.08Å; D270-R272 WeakPolarHBondContact OD1-CB 3.36Å; D270-R272 PolarHBondContact OD1-N 3.12Å; R272-L302 PolarHBondContact NH1-O 2.89Å; R272-L302 PolarHBondContact NH2-O 3.21Å; R272-D303 IonicContact CZ-OD1 2.85Å; R272-D303 IonicContact NH2-OD1 3.22Å; R272-D303 PolarHBondContact NH2-OD1 2.71Å
273	T	92.8	Very high	93.9	Very high	83 Å²	83	42.9 Å²	42.9	51%	0.509	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-18.4	179.5	61.6	0	0	0	0	114.7	D270 Q275	D270-T273 VanDerWaalsContact OD2-CB 3.25Å; D270-T273 WeakPolarHBondContact OD2-CB 3.48Å; D270-T273 WeakPolarHBondContact OD2-CG2 3.48Å; D270-T273 PolarHBondContact OD2-N 3.27Å; D270-T273 PolarHBondContact OD2-OG1 3.49Å; T273-Q275 PolarHBondContact O-N 3.34Å; T273-Q275 VanDerWaalsContact OG1-CB 3.24Å; T273-Q275 WeakPolarHBondContact OG1-CB 3.32Å; T273-Q275 PolarHBondContact OG1-N 3.06Å; T273-Q275 VanDerWaalsContact OG1-N 3.14Å
274	G	91.8	Very high	94.1	Very high	18 Å²	18	44.1 Å²	44.1	19%	0.186	22%	0.22	C	C	.	.			trans	70.7	12.7	-166.5	0	0	0	0	0	113.5	Y258 D270 K276	Y258-G274 PolarHBondContact OH-O 2.87Å; D270-G274 VanDerWaalsContact O-CA 3.28Å; D270-G274 WeakPolarHBondContact O-CA 3.48Å; D270-G274 PolarHBondContact O-N 3.41Å; G274-K276 PolarHBondContact O-N 3.43Å
275	Q	93.2	Very high	94.3	Very high	120 Å²	120	45.8 Å²	45.8	56%	0.561	23%	0.23	S	C	*	.			trans	-72.3	128.4	177	-179.5	169	-35.7	0	0	110.6	L269 D270 T273 M277	L269-Q275 CarbonylContact C-O 3.59Å; L269-Q275 VanDerWaalsContact CA-O 3.29Å; L269-Q275 WeakPolarHBondContact CA-O 3.22Å; D270-Q275 PolarHBondContact N-O 3.42Å; T273-Q275 PolarHBondContact O-N 3.34Å; T273-Q275 VanDerWaalsContact OG1-CB 3.24Å; T273-Q275 WeakPolarHBondContact OG1-CB 3.32Å; T273-Q275 PolarHBondContact OG1-N 3.06Å; T273-Q275 VanDerWaalsContact OG1-N 3.14Å; Q275-M277 HydrophobicContact CB-SD 4.43Å; Q275-M277 HydrophobicContact CG-SD 4.09Å; Q275-M277 PolarHBondContact O-N 3.2Å
276	K	95.5	Very high	94.3	Very high	61 Å²	61	48.8 Å²	48.8	27%	0.265	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	122.4	165.5	178.8	170.6	68.8	176.6	0	109.4	Y258 Y265 L269 G274 E279	Y258-K276 HydrophobicContact CD1-CB 4.37Å; Y258-K276 HydrophobicContact CE1-CB 4.28Å; Y265-K276 WeakPolarHBondContact OH-CD 3.06Å; Y265-K276 PolarHBondContact OH-NZ 3.12Å; L269-K276 HydrophobicContact CD1-CB 4.02Å; L269-K276 HydrophobicContact CD1-CG 4.15Å; L269-K276 HydrophobicContact CG-CB 4.47Å; G274-K276 PolarHBondContact O-N 3.43Å; K276-E279 HydrophobicContact CD-CB 4.32Å; K276-E279 IonicContact NZ-OE2 3.77Å; K276-E279 PolarHBondContact NZ-OE2 3.24Å
277	M	95	Very high	94.3	Very high	59 Å²	59	50.3 Å²	50.3	29%	0.291	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-50.1	-180	-55.9	-59	-72.2	0	0	111.2	W205 I268 D270 Q275 F295 H299	W205-M277 HydrophobicContact CZ3-CG 4.32Å; I268-M277 PolarHBondContact O-N 3.45Å; D270-M277 HydrophobicContact CB-SD 4.36Å; Q275-M277 HydrophobicContact CB-SD 4.43Å; Q275-M277 HydrophobicContact CG-SD 4.09Å; Q275-M277 PolarHBondContact O-N 3.2Å; M277-F295 HydrophobicContact CB-CE2 3.74Å; M277-F295 HydrophobicContact CB-CZ 4.21Å; M277-F295 HydrophobicContact CG-CE2 4.35Å; M277-F295 HydrophobicContact CG-CZ 4.41Å; M277-H299 VanDerWaalsContact CE-CD2 3.42Å; M277-H299 WeakPolarHBondContact CE-CD2 3.19Å; M277-H299 WeakPolarHBondContact CE-NE2 3.06Å
278	V	95.4	Very high	94.3	Very high	37 Å²	37	50.3 Å²	50.3	22%	0.224	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	162.1	177.9	-54.5	0	0	0	0	112	S267 I268 W280 F295	S267-V278 VanDerWaalsContact CA-O 3.27Å; S267-V278 WeakPolarHBondContact CA-O 3.49Å; S267-V278 WeakPolarHBondContact CB-O 3.37Å; I268-V278 HydrophobicContact CB-CG2 3.92Å; I268-V278 HydrophobicContact CD1-CG2 3.82Å; I268-V278 HydrophobicContact CG1-CG2 3.93Å; I268-V278 PolarHBondContact N-O 3.16Å; I268-V278 PolarHBondContact O-N 3.3Å; V278-W280 HydrophobicContact CG2-CZ2 3.82Å; V278-F295 HydrophobicContact CG1-CD2 3.89Å; V278-F295 HydrophobicContact CG1-CE2 4.36Å
279	E	95.4	Very high	94.1	Very high	82 Å²	82	53.3 Å²	53.3	38%	0.383	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	130.6	178.7	172	179.7	142.1	0	0	110.1	Y265 K276 N281	Y265-E279 HydrophobicContact CD2-CG 4.24Å; Y265-E279 HydrophobicContact CE2-CG 3.54Å; K276-E279 HydrophobicContact CD-CB 4.32Å; K276-E279 IonicContact NZ-OE2 3.77Å; K276-E279 PolarHBondContact NZ-OE2 3.24Å; E279-N281 WeakPolarHBondContact CG-ND2 3.41Å; E279-N281 PolarHBondContact OE1-ND2 3.35Å
280	W	94.8	Very high	94.1	Very high	15 Å²	15	60.2 Å²	60.2	6%	0.057	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.6	177	-49.9	-39.8	0	0	0	109.9	M207 I266 I268 V278 L283 F288 Q291 A292	M207-W280 HydrophobicContact CE-CH2 4.43Å; M207-W280 HydrophobicContact CE-CZ3 4.13Å; I266-W280 HydrophobicContact CB-CB 4.36Å; I266-W280 HydrophobicContact CB-CE3 4.2Å; I266-W280 HydrophobicContact CG2-CE3 3.81Å; I266-W280 HydrophobicContact CG2-CZ3 4.28Å; I266-W280 PolarHBondContact N-O 3.27Å; I266-W280 PolarHBondContact O-N 2.97Å; I268-W280 HydrophobicContact CD1-CH2 3.59Å; I268-W280 HydrophobicContact CD1-CZ2 3.91Å; I268-W280 HydrophobicContact CD1-CZ3 4.37Å; I268-W280 HydrophobicContact CG1-CH2 4.24Å; V278-W280 HydrophobicContact CG2-CZ2 3.82Å; W280-L283 HydrophobicContact CB-CD1 4.49Å; W280-L283 HydrophobicContact CD2-CD1 4.28Å; W280-L283 HydrophobicContact CE3-CD1 3.95Å; W280-L283 HydrophobicContact CE3-CD2 4.23Å; W280-F288 AromaticContact CZ3-CD2 3.99Å; W280-F288 HydrophobicContact CZ3-CD2 3.99Å; W280-F288 HydrophobicContact CZ3-CE2 4.04Å; W280-Q291 HydrophobicContact CH2-CB 4.39Å; W280-Q291 HydrophobicContact CZ2-CB 3.61Å; W280-A292 HydrophobicContact CH2-CB 4.19Å
281	N	91.6	Very high	94.1	Very high	37 Å²	37	62.7 Å²	62.7	20%	0.198	32%	0.324	C	S	.	.	S	Bend	trans	-108.5	-10.4	178.4	-67.6	-96.2	0	0	0	113.1	K262 P264 E279	K262-N281 WeakPolarHBondContact CB-OD1 3.47Å; P264-N281 WeakPolarHBondContact O-CA 3.4Å; E279-N281 WeakPolarHBondContact CG-ND2 3.41Å; E279-N281 PolarHBondContact OE1-ND2 3.35Å
282	Q	89.1	Confident	94.1	Very high	175 Å²	175	62.6 Å²	62.6	82%	0.818	32%	0.324	S	S	*	.	S	Bend	trans	-139.2	131.8	172.3	-67.8	179.1	34.3	0	0	106.1
283	L	92.7	Very high	94.3	Very high	21 Å²	21	61.3 Å²	61.3	11%	0.11	33%	0.327	C	S	.	.			trans	-155	127.4	-170	-169.6	71.2	0	0	0	108.9	L221 V225 W226 I266 W280 F288	L221-L283 HydrophobicContact CD2-CB 3.99Å; L221-L283 HydrophobicContact CD2-CD2 4.39Å; L221-L283 VanDerWaalsContact CD2-O 3.3Å; L221-L283 WeakPolarHBondContact CD2-O 3.4Å; V225-L283 HydrophobicContact CG1-CD2 4.49Å; W226-L283 HydrophobicContact CH2-CD2 3.58Å; W226-L283 HydrophobicContact CZ2-CD2 4.22Å; W226-L283 HydrophobicContact CZ3-CD2 4.27Å; I266-L283 HydrophobicContact CD1-CB 4.2Å; I266-L283 HydrophobicContact CD1-CD2 3.89Å; I266-L283 HydrophobicContact CG1-CD2 3.98Å; W280-L283 HydrophobicContact CB-CD1 4.49Å; W280-L283 HydrophobicContact CD2-CD1 4.28Å; W280-L283 HydrophobicContact CE3-CD1 3.95Å; W280-L283 HydrophobicContact CE3-CD2 4.23Å; L283-F288 HydrophobicContact CD1-CB 3.8Å; L283-F288 HydrophobicContact CD1-CD2 4.25Å; L283-F288 HydrophobicContact CD2-CD2 4.07Å; L283-F288 HydrophobicContact CG-CB 4.13Å
284	D	94	Very high	94.4	Very high	85 Å²	85	59.2 Å²	59.2	46%	0.455	32%	0.321	S	S	.	.			trans	-126	-179.3	169.7	80.3	-25.2	0	0	0	109.3	A286 S287 F288	D284-A286 VanDerWaalsContact C-N 3.35Å; D284-A286 PolarHBondContact O-N 3.19Å; D284-A286 PolarHBondContact OD1-N 3.49Å; D284-S287 PolarHBondContact N-OG 3.21Å; D284-S287 PolarHBondContact O-OG 3.33Å; D284-S287 WeakPolarHBondContact OD1-CB 3.47Å; D284-S287 PolarHBondContact OD1-N 3.38Å; D284-S287 PolarHBondContact OD1-OG 3.23Å; D284-F288 VanDerWaalsContact O-CB 3.24Å; D284-F288 WeakPolarHBondContact O-CB 3.46Å; D284-F288 PolarHBondContact O-N 3.46Å
285	V	95.3	Very high	94.6	Very high	45 Å²	45	58.7 Å²	58.7	27%	0.273	31%	0.314	S	S	.	.	H	α-helix	trans	-61.1	-43.7	-178.8	179.5	0	0	0	0	111.4	D224 V225 N228 V231 M289	D224-V285 WeakPolarHBondContact O-CG2 3.45Å; V225-V285 HydrophobicContact CG2-CG2 4.47Å; N228-V285 HydrophobicContact CB-CG2 4.37Å; V231-V285 HydrophobicContact CG2-CG1 4.18Å; V285-M289 HydrophobicContact CG1-CG 4.42Å; V285-M289 WeakPolarHBondContact O-CG 3.42Å; V285-M289 PolarHBondContact O-N 3.04Å; V285-M289 VanDerWaalsContact O-N 3.07Å
286	A	95.6	Very high	94.6	Very high	66 Å²	66	54.3 Å²	54.3	55%	0.545	29%	0.294	S	S	.	.	H	α-helix	trans	-67.1	-50.3	-176.4	0	0	0	0	0	111.7	D284 F288 M289 E290	D284-A286 VanDerWaalsContact C-N 3.35Å; D284-A286 PolarHBondContact O-N 3.19Å; D284-A286 PolarHBondContact OD1-N 3.49Å; A286-F288 VanDerWaalsContact C-N 3.35Å; A286-F288 PolarHBondContact O-N 3.37Å; A286-M289 PolarHBondContact O-N 2.84Å; A286-E290 PolarHBondContact O-N 2.98Å
287	S	95.9	Very high	94.5	Very high	31 Å²	31	55.7 Å²	55.7	22%	0.217	32%	0.317	C	S	.	.	H	α-helix	trans	-69.4	-28	178.8	61.1	0	0	0	0	113.1	D284 Q291	D284-S287 PolarHBondContact N-OG 3.21Å; D284-S287 PolarHBondContact O-OG 3.33Å; D284-S287 WeakPolarHBondContact OD1-CB 3.47Å; D284-S287 PolarHBondContact OD1-N 3.38Å; D284-S287 PolarHBondContact OD1-OG 3.23Å; S287-Q291 VanDerWaalsContact O-CB 3.22Å; S287-Q291 WeakPolarHBondContact O-CB 3.25Å; S287-Q291 WeakPolarHBondContact O-CG 3.15Å; S287-Q291 PolarHBondContact O-N 2.58Å; S287-Q291 PolarHBondContact O-NE2 2.86Å
288	F	96.3	Very high	94.4	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-64.3	-51.3	168.1	176.5	-90.4	0	0	0	111	M207 V225 W226 V231 I234 I235 W280 L283 D284 A286 E290 Q291 A292	M207-F288 HydrophobicContact CE-CE2 3.77Å; M207-F288 HydrophobicContact CE-CZ 4.16Å; M207-F288 HydrophobicContact SD-CE2 4.07Å; V225-F288 HydrophobicContact CG1-CB 4.36Å; W226-F288 HydrophobicContact CZ3-CD2 4.1Å; W226-F288 HydrophobicContact CZ3-CE2 4Å; V231-F288 HydrophobicContact CB-CD1 4.23Å; V231-F288 HydrophobicContact CB-CE1 4.23Å; V231-F288 HydrophobicContact CG1-CD1 3.82Å; V231-F288 HydrophobicContact CG1-CE1 3.7Å; V231-F288 HydrophobicContact CG1-CG 4.33Å; V231-F288 HydrophobicContact CG1-CZ 4.1Å; V231-F288 HydrophobicContact CG2-CD1 3.81Å; V231-F288 HydrophobicContact CG2-CE1 4.29Å; I234-F288 HydrophobicContact CB-CE1 4.39Å; I234-F288 HydrophobicContact CG2-CE1 4.09Å; I234-F288 HydrophobicContact CG2-CZ 4.28Å; I235-F288 HydrophobicContact CD1-CE2 4.44Å; I235-F288 HydrophobicContact CD1-CZ 4.06Å; I235-F288 HydrophobicContact CG1-CE2 4.46Å; I235-F288 HydrophobicContact CG1-CZ 3.77Å; W280-F288 AromaticContact CZ3-CD2 3.99Å; W280-F288 HydrophobicContact CZ3-CD2 3.99Å; W280-F288 HydrophobicContact CZ3-CE2 4.04Å; L283-F288 HydrophobicContact CD1-CB 3.8Å; L283-F288 HydrophobicContact CD1-CD2 4.25Å; L283-F288 HydrophobicContact CD2-CD2 4.07Å; L283-F288 HydrophobicContact CG-CB 4.13Å; D284-F288 VanDerWaalsContact O-CB 3.24Å; D284-F288 WeakPolarHBondContact O-CB 3.46Å; D284-F288 PolarHBondContact O-N 3.46Å; A286-F288 VanDerWaalsContact C-N 3.35Å; A286-F288 PolarHBondContact O-N 3.37Å; F288-E290 VanDerWaalsContact C-N 3.3Å; F288-E290 PolarHBondContact O-N 2.86Å; F288-Q291 PolarHBondContact O-N 2.79Å; F288-A292 HydrophobicContact CD1-CB 4.36Å; F288-A292 HydrophobicContact CD2-CB 4.48Å; F288-A292 HydrophobicContact CE1-CB 3.97Å; F288-A292 HydrophobicContact CE2-CB 4.14Å; F288-A292 HydrophobicContact CZ-CB 3.85Å; F288-A292 WeakPolarHBondContact O-CB 3.2Å; F288-A292 PolarHBondContact O-N 2.89Å
289	M	94.4	Very high	94	Very high	63 Å²	63	61.8 Å²	61.8	31%	0.31	34%	0.342	S	S	.	.	H	α-helix	trans	-59.4	-43.4	-177.7	-66.2	-71.9	-65.5	0	0	110.9	A230 V231 I234 V285 A286 T293	A230-M289 HydrophobicContact CB-CE 4.2Å; A230-M289 HydrophobicContact CB-SD 4.24Å; V231-M289 HydrophobicContact CG2-SD 4.32Å; I234-M289 HydrophobicContact CD1-CE 3.68Å; I234-M289 HydrophobicContact CD1-SD 3.51Å; I234-M289 VanDerWaalsContact CD1-SD 3.51Å; V285-M289 HydrophobicContact CG1-CG 4.42Å; V285-M289 WeakPolarHBondContact O-CG 3.42Å; V285-M289 PolarHBondContact O-N 3.04Å; V285-M289 VanDerWaalsContact O-N 3.07Å; A286-M289 PolarHBondContact O-N 2.84Å; M289-T293 WeakPolarHBondContact O-CB 3.39Å; M289-T293 VanDerWaalsContact O-CG2 3.29Å; M289-T293 WeakPolarHBondContact O-CG2 3.39Å; M289-T293 PolarHBondContact O-N 3Å; M289-T293 PolarHBondContact O-OG1 3.27Å
290	E	95.4	Very high	93.4	Very high	147 Å²	147	59.2 Å²	59.2	69%	0.687	34%	0.338	S	S	*	.	H	α-helix	trans	-65.7	-52.6	176.3	-174.5	173.5	-164.6	0	0	112.4	A286 F288 T293 G294	A286-E290 PolarHBondContact O-N 2.98Å; F288-E290 VanDerWaalsContact C-N 3.3Å; F288-E290 PolarHBondContact O-N 2.86Å; E290-T293 PolarHBondContact O-OG1 2.79Å; E290-G294 PolarHBondContact O-N 2.84Å
291	Q	96.1	Very high	92.5	Very high	73 Å²	73	64 Å²	64	34%	0.341	36%	0.361	S	S	.	.	H	α-helix	trans	-70.5	-37.2	-175.4	-67.6	172.2	105.8	0	0	113.1	W280 S287 F288 F295	W280-Q291 HydrophobicContact CH2-CB 4.39Å; W280-Q291 HydrophobicContact CZ2-CB 3.61Å; S287-Q291 VanDerWaalsContact O-CB 3.22Å; S287-Q291 WeakPolarHBondContact O-CB 3.25Å; S287-Q291 WeakPolarHBondContact O-CG 3.15Å; S287-Q291 PolarHBondContact O-N 2.58Å; S287-Q291 PolarHBondContact O-NE2 2.86Å; F288-Q291 PolarHBondContact O-N 2.79Å; Q291-F295 VanDerWaalsContact O-CB 3.24Å; Q291-F295 WeakPolarHBondContact O-CB 3.39Å; Q291-F295 PolarHBondContact O-N 2.67Å
292	A	95.4	Very high	91.4	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-70.9	-43.8	178.6	0	0	0	0	0	111.7	I234 W280 F288 F295 L296	I234-A292 HydrophobicContact CG2-CB 4.38Å; W280-A292 HydrophobicContact CH2-CB 4.19Å; F288-A292 HydrophobicContact CD1-CB 4.36Å; F288-A292 HydrophobicContact CD2-CB 4.48Å; F288-A292 HydrophobicContact CE1-CB 3.97Å; F288-A292 HydrophobicContact CE2-CB 4.14Å; F288-A292 HydrophobicContact CZ-CB 3.85Å; F288-A292 WeakPolarHBondContact O-CB 3.2Å; F288-A292 PolarHBondContact O-N 2.89Å; A292-F295 PolarHBondContact O-N 2.75Å; A292-L296 WeakPolarHBondContact O-CB 3.43Å; A292-L296 VanDerWaalsContact O-CG 3.25Å; A292-L296 WeakPolarHBondContact O-CG 3.48Å; A292-L296 PolarHBondContact O-N 2.96Å
293	T	94.1	Very high	89.9	Confident	70 Å²	70	59.1 Å²	59.1	43%	0.429	34%	0.341	S	S	.	.	H	α-helix	trans	-71.1	-35.8	176.9	59.7	0	0	0	0	112.2	I234 M289 E290 L296 A297	I234-T293 HydrophobicContact CD1-CG2 4.22Å; M289-T293 WeakPolarHBondContact O-CB 3.39Å; M289-T293 VanDerWaalsContact O-CG2 3.29Å; M289-T293 WeakPolarHBondContact O-CG2 3.39Å; M289-T293 PolarHBondContact O-N 3Å; M289-T293 PolarHBondContact O-OG1 3.27Å; E290-T293 PolarHBondContact O-OG1 2.79Å; T293-L296 PolarHBondContact O-N 2.71Å; T293-A297 WeakPolarHBondContact O-CB 3.46Å; T293-A297 PolarHBondContact O-N 2.7Å
294	G	94.9	Very high	87.8	Confident	39 Å²	39	59.9 Å²	59.9	40%	0.402	35%	0.354	S	S	.	.	H	α-helix	trans	-60.8	-48	171.1	0	0	0	0	0	112.5	E290 L296 A297 E298	E290-G294 PolarHBondContact O-N 2.84Å; G294-L296 PolarHBondContact O-N 2.88Å; G294-A297 PolarHBondContact O-N 2.65Å; G294-E298 PolarHBondContact O-N 3.4Å
295	F	95.6	Very high	85.4	Confident	7 Å²	7	62.2 Å²	62.2	3%	0.031	37%	0.373	C	S	.	.	H	α-helix	trans	-57.4	-47.5	175.3	172.5	-95.6	0	0	0	112.1	W205 F239 I268 M277 V278 Q291 A292 A297 E298 H299	W205-F295 AromaticContact CD1-CE1 3.9Å; W205-F295 AromaticContact CD2-CE1 3.79Å; W205-F295 HydrophobicContact CD2-CE1 3.79Å; W205-F295 AromaticContact CD2-CZ 3.88Å; W205-F295 HydrophobicContact CD2-CZ 3.88Å; W205-F295 AromaticContact CE2-CE1 3.85Å; W205-F295 AromaticContact CE2-CZ 3.99Å; W205-F295 HydrophobicContact CE3-CE1 4.36Å; W205-F295 AromaticContact CE3-CZ 4Å; W205-F295 HydrophobicContact CE3-CZ 4Å; W205-F295 AromaticContact CG-CE1 3.84Å; W205-F295 HydrophobicContact CG-CE1 3.84Å; W205-F295 HydrophobicContact CG-CZ 4.38Å; W205-F295 HydrophobicContact CH2-CZ 4.37Å; W205-F295 HydrophobicContact CZ2-CE1 4.48Å; W205-F295 HydrophobicContact CZ2-CZ 4.25Å; W205-F295 HydrophobicContact CZ3-CZ 4.24Å; W205-F295 AromaticContact NE1-CE1 3.87Å; F239-F295 HydrophobicContact CE1-CE1 4.44Å; F239-F295 HydrophobicContact CZ-CD1 4.36Å; I268-F295 HydrophobicContact CB-CZ 4.47Å; I268-F295 HydrophobicContact CD1-CB 4.43Å; I268-F295 HydrophobicContact CD1-CD1 3.64Å; I268-F295 HydrophobicContact CD1-CD2 4.41Å; I268-F295 HydrophobicContact CD1-CE1 4Å; I268-F295 HydrophobicContact CD1-CG 3.87Å; I268-F295 HydrophobicContact CG2-CE1 3.8Å; I268-F295 HydrophobicContact CG2-CZ 3.8Å; M277-F295 HydrophobicContact CB-CE2 3.74Å; M277-F295 HydrophobicContact CB-CZ 4.21Å; M277-F295 HydrophobicContact CG-CE2 4.35Å; M277-F295 HydrophobicContact CG-CZ 4.41Å; V278-F295 HydrophobicContact CG1-CD2 3.89Å; V278-F295 HydrophobicContact CG1-CE2 4.36Å; Q291-F295 VanDerWaalsContact O-CB 3.24Å; Q291-F295 WeakPolarHBondContact O-CB 3.39Å; Q291-F295 PolarHBondContact O-N 2.67Å; A292-F295 PolarHBondContact O-N 2.75Å; F295-A297 VanDerWaalsContact C-N 3.32Å; F295-A297 PolarHBondContact O-N 2.84Å; F295-E298 PolarHBondContact O-N 3.18Å; F295-H299 AromaticContact CD2-CE1 3.62Å; F295-H299 AromaticContact CD2-CG 3.95Å; F295-H299 AromaticContact CD2-ND1 3.31Å; F295-H299 VanDerWaalsContact CD2-ND1 3.31Å; F295-H299 WeakPolarHBondContact CD2-ND1 3.2Å; F295-H299 HydrophobicContact CE1-CB 4.4Å; F295-H299 HydrophobicContact CE2-CB 4.14Å; F295-H299 AromaticContact CE2-CD2 3.84Å; F295-H299 AromaticContact CE2-CE1 3.58Å; F295-H299 AromaticContact CE2-CG 3.5Å; F295-H299 AromaticContact CE2-ND1 3.32Å; F295-H299 VanDerWaalsContact CE2-ND1 3.32Å; F295-H299 WeakPolarHBondContact CE2-ND1 3.49Å; F295-H299 AromaticContact CE2-NE2 3.87Å; F295-H299 HydrophobicContact CZ-CB 4.02Å; F295-H299 AromaticContact CZ-CG 3.87Å; F295-H299 WeakPolarHBondContact O-CB 3.27Å; F295-H299 PolarHBondContact O-N 3.02Å; F295-H299 PolarHBondContact O-ND1 3.38Å; F295-H299 VanDerWaalsContact O-ND1 3.09Å
296	L	94.3	Very high	83	Confident	28 Å²	28	66.5 Å²	66.5	15%	0.147	40%	0.4	C	S	.	.	H	α-helix	trans	-67.5	-29.6	179	-69.3	168.6	0	0	0	112.9	H238 F239 A292 T293 G294 G300	H238-L296 HydrophobicContact CB-CD1 3.91Å; H238-L296 HydrophobicContact CB-CD2 3.9Å; H238-L296 WeakPolarHBondContact CD2-CD1 3.19Å; F239-L296 HydrophobicContact CE2-CD1 3.98Å; F239-L296 HydrophobicContact CE2-CD2 4.44Å; F239-L296 HydrophobicContact CE2-CG 4.42Å; F239-L296 HydrophobicContact CZ-CD1 4.22Å; F239-L296 HydrophobicContact CZ-CD2 4.08Å; F239-L296 HydrophobicContact CZ-CG 4.16Å; A292-L296 WeakPolarHBondContact O-CB 3.43Å; A292-L296 VanDerWaalsContact O-CG 3.25Å; A292-L296 WeakPolarHBondContact O-CG 3.48Å; A292-L296 PolarHBondContact O-N 2.96Å; T293-L296 PolarHBondContact O-N 2.71Å; G294-L296 PolarHBondContact O-N 2.88Å; L296-G300 WeakPolarHBondContact O-CA 3.26Å; L296-G300 PolarHBondContact O-N 2.83Å
297	A	93.3	Very high	80.5	Confident	90 Å²	90	67.6 Å²	67.6	74%	0.744	40%	0.402	S	S	*	.	H	α-helix	trans	-74.4	-30.9	174.1	0	0	0	0	0	112.9	T293 G294 F295	T293-A297 WeakPolarHBondContact O-CB 3.46Å; T293-A297 PolarHBondContact O-N 2.7Å; G294-A297 PolarHBondContact O-N 2.65Å; F295-A297 VanDerWaalsContact C-N 3.32Å; F295-A297 PolarHBondContact O-N 2.84Å
298	E	92.2	Very high	78.1	Confident	157 Å²	157	74.2 Å²	74.2	73%	0.734	44%	0.435	S	S	*	.	H	α-helix	trans	-80.8	-43.6	177.2	-179	176.8	-150	0	0	112.5	G294 F295	G294-E298 PolarHBondContact O-N 3.4Å; F295-E298 PolarHBondContact O-N 3.18Å
299	H	87.9	Confident	75.7	Confident	66 Å²	66	78.2 Å²	78.2	31%	0.306	47%	0.469	S	S	.	.	H	α-helix	trans	-100.6	-15.8	-172.3	-62	77.8	0	0	0	113.7	W205 M277 F295	W205-H299 HydrophobicContact CH2-CB 4.26Å; W205-H299 HydrophobicContact CZ2-CB 3.77Å; M277-H299 VanDerWaalsContact CE-CD2 3.42Å; M277-H299 WeakPolarHBondContact CE-CD2 3.19Å; M277-H299 WeakPolarHBondContact CE-NE2 3.06Å; F295-H299 AromaticContact CD2-CE1 3.62Å; F295-H299 AromaticContact CD2-CG 3.95Å; F295-H299 AromaticContact CD2-ND1 3.31Å; F295-H299 VanDerWaalsContact CD2-ND1 3.31Å; F295-H299 WeakPolarHBondContact CD2-ND1 3.2Å; F295-H299 HydrophobicContact CE1-CB 4.4Å; F295-H299 HydrophobicContact CE2-CB 4.14Å; F295-H299 AromaticContact CE2-CD2 3.84Å; F295-H299 AromaticContact CE2-CE1 3.58Å; F295-H299 AromaticContact CE2-CG 3.5Å; F295-H299 AromaticContact CE2-ND1 3.32Å; F295-H299 VanDerWaalsContact CE2-ND1 3.32Å; F295-H299 WeakPolarHBondContact CE2-ND1 3.49Å; F295-H299 AromaticContact CE2-NE2 3.87Å; F295-H299 HydrophobicContact CZ-CB 4.02Å; F295-H299 AromaticContact CZ-CG 3.87Å; F295-H299 WeakPolarHBondContact O-CB 3.27Å; F295-H299 PolarHBondContact O-N 3.02Å; F295-H299 PolarHBondContact O-ND1 3.38Å; F295-H299 VanDerWaalsContact O-ND1 3.09Å
300	G	82.8	Confident	73.5	Confident	29 Å²	29	79.9 Å²	79.9	30%	0.299	48%	0.484	S	S	.	.			trans	69.3	-165.7	-176.1	0	0	0	0	0	113.9	W205 L296	W205-G300 PolarHBondContact NE1-O 2.98Å; L296-G300 WeakPolarHBondContact O-CA 3.26Å; L296-G300 PolarHBondContact O-N 2.83Å
301	Q	75.5	Confident	71.4	Confident	114 Å²	114	78.8 Å²	78.8	53%	0.533	49%	0.49	S	S	.	.	S	Bend	trans	-84.5	154.4	161.1	-166.9	165.6	-0.1	0	0	108.9	D303 G304	Q301-D303 PolarHBondContact O-N 2.99Å; Q301-G304 PolarHBondContact O-N 3.31Å
302	L	69	Low	69.5	Low	12 Å²	12	80 Å²	80	6%	0.063	51%	0.512	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-16.8	-168.6	-86	156	0	0	0	115.3	N203 K204 W205 P271 R272 G304	N203-L302 HydrophobicContact CB-CB 4.13Å; K204-L302 VanDerWaalsContact C-CD1 3.43Å; K204-L302 WeakPolarHBondContact O-CD1 3.02Å; W205-L302 HydrophobicContact CD2-CD1 4.22Å; W205-L302 HydrophobicContact CD2-CD2 4.36Å; W205-L302 HydrophobicContact CD2-CG 4.04Å; W205-L302 HydrophobicContact CE3-CD1 4.4Å; W205-L302 HydrophobicContact CE3-CD2 4.09Å; W205-L302 HydrophobicContact CE3-CG 4.26Å; W205-L302 HydrophobicContact CG-CD1 4.44Å; W205-L302 HydrophobicContact CH2-CD2 3.75Å; W205-L302 HydrophobicContact CH2-CG 4.24Å; W205-L302 HydrophobicContact CZ2-CD2 4.03Å; W205-L302 HydrophobicContact CZ2-CG 4.03Å; W205-L302 HydrophobicContact CZ3-CD2 3.78Å; W205-L302 HydrophobicContact CZ3-CG 4.36Å; P271-L302 HydrophobicContact CG-CD1 3.73Å; R272-L302 PolarHBondContact NH1-O 2.89Å; R272-L302 PolarHBondContact NH2-O 3.21Å; L302-G304 VanDerWaalsContact C-N 3.32Å; L302-G304 PolarHBondContact O-N 3.14Å
303	D	57.5	Low	67.5	Low	99 Å²	99	89.5 Å²	89.5	53%	0.529	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93	34.1	-178.8	-63.9	-25	0	0	0	114.7	N203 R272 Q301	N203-D303 WeakPolarHBondContact CB-OD2 3.13Å; N203-D303 VanDerWaalsContact CG-OD2 3.25Å; N203-D303 VanDerWaalsContact ND2-CG 3.26Å; N203-D303 PolarHBondContact ND2-OD1 3.13Å; N203-D303 VanDerWaalsContact ND2-OD1 3.09Å; N203-D303 PolarHBondContact ND2-OD2 3Å; N203-D303 PolarHBondContact OD1-OD1 2.85Å; R272-D303 IonicContact CZ-OD1 2.85Å; R272-D303 IonicContact NH2-OD1 3.22Å; R272-D303 PolarHBondContact NH2-OD1 2.71Å; Q301-D303 PolarHBondContact O-N 2.99Å
304	G	47.3	Very low	65.6	Low	37 Å²	37	97.5 Å²	97.5	38%	0.381	58%	0.575	S	S	.	*			trans	-73.1	122.6	164	0	0	0	0	0	111.5	Q301 L302 T306	Q301-G304 PolarHBondContact O-N 3.31Å; L302-G304 VanDerWaalsContact C-N 3.32Å; L302-G304 PolarHBondContact O-N 3.14Å; G304-T306 PolarHBondContact O-N 2.84Å
305	P	43.8	Very low	63.3	Low	134 Å²	134	100.3 Å²	100.3	87%	0.87	60%	0.595	S	S	*	*	S	Bend	trans	-74.3	29.6	179.6	33	-37.6	0	0	0	113.7
306	T	46.2	Very low	61.2	Low	135 Å²	135	111.5 Å²	111.5	83%	0.828	64%	0.637	S	S	*	*			trans	-133.2	39.5	-170.5	-37.8	0	0	0	0	111.6	G304	G304-T306 PolarHBondContact O-N 2.84Å
307	C	43.3	Very low	59	Low	88 Å²	88	115.3 Å²	115.3	60%	0.595	67%	0.666	S	S	*	*			trans	-119.3	116.8	164	55.4	0	0	0	0	110	A309	C307-A309 VanDerWaalsContact C-N 3.33Å; C307-A309 PolarHBondContact O-N 3.11Å
308	N	44.1	Very low	56.8	Low	170 Å²	170	119.7 Å²	119.7	91%	0.909	67%	0.671	S	S	*	*			trans	-71.2	92.1	171.7	-76.5	-35.3	0	0	0	108.3	P310	N308-P310 WeakPolarHBondContact O-CD 3.14Å
309	A	46.3	Very low	54.6	Low	85 Å²	85	116 Å²	116	70%	0.702	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-53.7	123.6	178.5	0	0	0	0	0	110.4	C307	C307-A309 VanDerWaalsContact C-N 3.33Å; C307-A309 PolarHBondContact O-N 3.11Å
310	P	49.1	Very low	52.8	Low	98 Å²	98	119.7 Å²	119.7	64%	0.636	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-54.9	145	166.4	-22.7	33.8	0	0	0	109.2	N308 A312	N308-P310 WeakPolarHBondContact O-CD 3.14Å; P310-A312 PolarHBondContact O-N 3.34Å
311	P	51.2	Low	51.6	Low	124 Å²	124	125.7 Å²	125.7	81%	0.805	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-55.1	121.8	-178.1	23.2	-33.7	0	0	0	109.4	K313	P311-K313 PolarHBondContact O-N 3.25Å
312	A	56.2	Low	50.8	Low	97 Å²	97	127.7 Å²	127.7	80%	0.802	72%	0.722	S	S	*	*			trans	-52.1	114	-170.6	0	0	0	0	0	110	P310 R314	P310-A312 PolarHBondContact O-N 3.34Å; A312-R314 PolarHBondContact O-N 2.74Å
313	K	53.8	Low	50.8	Low	201 Å²	201	128.8 Å²	128.8	87%	0.874	73%	0.732	S	S	*	*			trans	-60.7	112.4	172	-73.4	179	-179.7	171.5	0	106	P311 A315	P311-K313 PolarHBondContact O-N 3.25Å; K313-A315 PolarHBondContact O-N 2.99Å
314	R	53.7	Low	51.6	Low	237 Å²	237	127.8 Å²	127.8	89%	0.894	73%	0.733	S	S	*	*			trans	-43.5	126.3	177.6	-68.4	-179.1	176.6	-177.2	-2.7	108.2	A312 R316	A312-R314 PolarHBondContact O-N 2.74Å; R314-R316 PolarHBondContact O-N 2.87Å; R314-R316 VanDerWaalsContact O-N 3.12Å
315	A	47.1	Very low	53.2	Low	98 Å²	98	134 Å²	134	81%	0.81	75%	0.752	S	S	*	*			trans	-48.4	124.3	178.4	0	0	0	0	0	108.2	K313 S317	K313-A315 PolarHBondContact O-N 2.99Å; A315-S317 PolarHBondContact O-N 3.01Å
316	R	50.2	Low	54.9	Low	243 Å²	243	133.5 Å²	133.5	92%	0.917	74%	0.742	S	S	*	*			trans	-70	105.5	-177.7	-169	-178.3	-165.5	-177.7	3.4	106	R314 E318	R314-R316 PolarHBondContact O-N 2.87Å; R314-R316 VanDerWaalsContact O-N 3.12Å; R316-E318 PolarHBondContact O-N 3.17Å
317	S	47.8	Very low	56.7	Low	108 Å²	108	129.9 Å²	129.9	76%	0.755	72%	0.723	S	S	*	*			trans	-43.3	129.4	-177.9	53.5	0	0	0	0	110.4	A315 S319	A315-S317 PolarHBondContact O-N 3.01Å; S317-S319 PolarHBondContact O-N 3.1Å
318	E	47.8	Very low	58.7	Low	182 Å²	182	130.2 Å²	130.2	85%	0.85	72%	0.715	S	S	*	*			trans	-52.7	140.7	-178.9	-67.8	175.8	126.9	0	0	110.2	R316 L320	R316-E318 PolarHBondContact O-N 3.17Å; E318-L320 PolarHBondContact O-N 3.39Å
319	S	46.2	Very low	60.7	Low	78 Å²	78	126.9 Å²	126.9	55%	0.545	70%	0.697	S	S	.	*			trans	-73.8	125.2	-177.8	-155.7	0	0	0	0	108.4	S317 I321 D322	S317-S319 PolarHBondContact O-N 3.1Å; S319-I321 PolarHBondContact O-N 3.14Å; S319-I321 WeakPolarHBondContact OG-CG1 3.1Å; S319-D322 PolarHBondContact O-N 2.85Å
320	L	50.1	Low	62.6	Low	145 Å²	145	128.2 Å²	128.2	76%	0.759	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.8	-10.8	-175.1	-71.9	166	0	0	0	115.6	E318	E318-L320 PolarHBondContact O-N 3.39Å
321	I	56.4	Low	64.2	Low	155 Å²	155	125.8 Å²	125.8	80%	0.795	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-8.1	179	38.2	172.8	0	0	0	115	S319	S319-I321 PolarHBondContact O-N 3.14Å; S319-I321 WeakPolarHBondContact OG-CG1 3.1Å
322	D	60	Low	65.7	Low	156 Å²	156	122.5 Å²	122.5	83%	0.834	66%	0.66	S	S	*	*	S	Bend	trans	-122.6	5.1	-176.4	-148.6	25.1	0	0	0	113.7	S319	S319-D322 PolarHBondContact O-N 2.85Å
323	A	68.2	Low	67	Low	34 Å²	34	122.3 Å²	122.3	28%	0.281	65%	0.645	S	S	.	*	S	Bend	trans	-83.6	146.9	174.3	0	0	0	0	0	111.5	Q328	A323-Q328 HydrophobicContact CB-CG 4.06Å; A323-Q328 PolarHBondContact O-NE2 3.3Å
324	S	75.6	Confident	68.4	Low	78 Å²	78	119 Å²	119	55%	0.545	63%	0.627	S	S	.	*			trans	-65.3	153.7	175.6	58.4	0	0	0	0	112.6	D326 S327 Q328	S324-D326 PolarHBondContact O-N 3.24Å; S324-S327 WeakPolarHBondContact O-CA 3.2Å; S324-S327 WeakPolarHBondContact O-CB 3.45Å; S324-S327 PolarHBondContact O-N 3.29Å; S324-S327 WeakPolarHBondContact OG-CB 3.27Å; S324-Q328 PolarHBondContact O-N 2.85Å
325	E	81	Confident	69.9	Low	167 Å²	167	110.4 Å²	110.4	78%	0.78	61%	0.606	S	S	*	*	H	α-helix	trans	-53.7	-47.7	-177.5	-171.2	173.8	171.4	0	0	112.6	S327 Q328 L329	E325-S327 VanDerWaalsContact C-N 3.29Å; E325-S327 PolarHBondContact O-N 2.73Å; E325-Q328 PolarHBondContact O-N 3.16Å; E325-L329 PolarHBondContact O-N 2.92Å
326	D	79.3	Confident	71.5	Confident	124 Å²	124	109.2 Å²	109.2	66%	0.663	59%	0.592	S	S	*	*	H	α-helix	trans	-59.4	-37.2	175.3	-66.2	-29.8	0	0	0	112.8	S324 L329 E330	S324-D326 PolarHBondContact O-N 3.24Å; D326-L329 PolarHBondContact O-N 3.14Å; D326-E330 PolarHBondContact O-N 3.42Å
327	S	83.6	Confident	72.9	Confident	60 Å²	60	103.5 Å²	103.5	42%	0.42	58%	0.579	S	S	.	*	H	α-helix	trans	-70.7	-37.2	179.1	-170.7	0	0	0	0	111.8	S324 E325 A331	S324-S327 WeakPolarHBondContact O-CA 3.2Å; S324-S327 WeakPolarHBondContact O-CB 3.45Å; S324-S327 PolarHBondContact O-N 3.29Å; S324-S327 WeakPolarHBondContact OG-CB 3.27Å; E325-S327 VanDerWaalsContact C-N 3.29Å; E325-S327 PolarHBondContact O-N 2.73Å; S327-A331 WeakPolarHBondContact O-CB 3.35Å; S327-A331 PolarHBondContact O-N 2.97Å
328	Q	85.9	Confident	74	Confident	94 Å²	94	104.6 Å²	104.6	44%	0.439	57%	0.572	S	S	.	*	H	α-helix	trans	-66.1	-40.2	172.4	-62.3	-177.9	39	0	0	111.2	A323 S324 E325 A331 A332	A323-Q328 HydrophobicContact CB-CG 4.06Å; A323-Q328 PolarHBondContact O-NE2 3.3Å; S324-Q328 PolarHBondContact O-N 2.85Å; E325-Q328 PolarHBondContact O-N 3.16Å; Q328-A331 PolarHBondContact O-N 3.09Å; Q328-A332 WeakPolarHBondContact O-CB 3.17Å; Q328-A332 PolarHBondContact O-N 3.36Å
329	L	84.8	Confident	74.8	Confident	101 Å²	101	103.3 Å²	103.3	53%	0.529	57%	0.566	S	S	.	*	H	α-helix	trans	-63.9	-47.1	175.8	178.7	60.1	0	0	0	112	E325 D326 A331 A332 I333	E325-L329 PolarHBondContact O-N 2.92Å; D326-L329 PolarHBondContact O-N 3.14Å; L329-A331 VanDerWaalsContact C-N 3.32Å; L329-A331 PolarHBondContact O-N 2.91Å; L329-A332 PolarHBondContact O-N 3.36Å; L329-I333 HydrophobicContact CD1-CD1 4.01Å; L329-I333 HydrophobicContact CD1-CG1 4.36Å; L329-I333 HydrophobicContact CG-CD1 4Å; L329-I333 WeakPolarHBondContact O-CG1 3.18Å; L329-I333 PolarHBondContact O-N 2.89Å
330	E	85.7	Confident	75.4	Confident	113 Å²	113	105.4 Å²	105.4	53%	0.528	58%	0.575	S	S	.	*	H	α-helix	trans	-57.7	-43.9	173.3	-86.1	-162.1	-165.6	0	0	112.3	D326 A332 I333 R334	D326-E330 PolarHBondContact O-N 3.42Å; E330-A332 VanDerWaalsContact C-N 3.35Å; E330-I333 PolarHBondContact O-N 3.12Å; E330-R334 WeakPolarHBondContact O-CB 3.24Å; E330-R334 PolarHBondContact O-N 3.13Å; E330-R334 IonicContact OE2-CZ 2.8Å; E330-R334 IonicContact OE2-NH2 2.73Å; E330-R334 PolarHBondContact OE2-NH2 2.91Å
331	A	82.7	Confident	75.7	Confident	47 Å²	47	106 Å²	106	39%	0.388	57%	0.574	S	S	.	*	H	α-helix	trans	-63.6	-40.5	179.2	0	0	0	0	0	111.8	S327 Q328 L329 R334 A335	S327-A331 WeakPolarHBondContact O-CB 3.35Å; S327-A331 PolarHBondContact O-N 2.97Å; Q328-A331 PolarHBondContact O-N 3.09Å; L329-A331 VanDerWaalsContact C-N 3.32Å; L329-A331 PolarHBondContact O-N 2.91Å; A331-R334 PolarHBondContact O-N 3.09Å; A331-A335 PolarHBondContact O-N 2.97Å
332	A	84.2	Confident	75.2	Confident	55 Å²	55	107.2 Å²	107.2	46%	0.455	57%	0.57	S	S	.	*	H	α-helix	trans	-64.1	-48.5	175.8	0	0	0	0	0	111.9	Q328 L329 E330 R334 A335 S336	Q328-A332 WeakPolarHBondContact O-CB 3.17Å; Q328-A332 PolarHBondContact O-N 3.36Å; L329-A332 PolarHBondContact O-N 3.36Å; E330-A332 VanDerWaalsContact C-N 3.35Å; A332-R334 VanDerWaalsContact C-N 3.29Å; A332-R334 PolarHBondContact O-N 2.82Å; A332-A335 PolarHBondContact O-N 3.39Å; A332-S336 PolarHBondContact O-N 2.89Å; A332-S336 PolarHBondContact O-OG 2.79Å
333	I	82.4	Confident	74.6	Confident	93 Å²	93	107.6 Å²	107.6	48%	0.477	57%	0.572	S	S	.	*	H	α-helix	trans	-58.7	-43.3	176.4	-66.8	165.1	0	0	0	110.6	L329 E330 A335 S336 L337	L329-I333 HydrophobicContact CD1-CD1 4.01Å; L329-I333 HydrophobicContact CD1-CG1 4.36Å; L329-I333 HydrophobicContact CG-CD1 4Å; L329-I333 WeakPolarHBondContact O-CG1 3.18Å; L329-I333 PolarHBondContact O-N 2.89Å; E330-I333 PolarHBondContact O-N 3.12Å; I333-A335 VanDerWaalsContact C-N 3.33Å; I333-A335 PolarHBondContact O-N 2.89Å; I333-S336 PolarHBondContact O-N 3.35Å; I333-L337 HydrophobicContact CG2-CD1 4Å; I333-L337 WeakPolarHBondContact O-CG 3.49Å; I333-L337 PolarHBondContact O-N 2.84Å
334	R	84.4	Confident	73.7	Confident	132 Å²	132	111.5 Å²	111.5	50%	0.498	60%	0.597	S	S	.	*	H	α-helix	trans	-65.2	-33.6	179.2	-168.8	177.4	-61.7	132.1	7.6	112.6	E330 A331 A332 Q338	E330-R334 WeakPolarHBondContact O-CB 3.24Å; E330-R334 PolarHBondContact O-N 3.13Å; E330-R334 IonicContact OE2-CZ 2.8Å; E330-R334 IonicContact OE2-NH2 2.73Å; E330-R334 PolarHBondContact OE2-NH2 2.91Å; A331-R334 PolarHBondContact O-N 3.09Å; A332-R334 VanDerWaalsContact C-N 3.29Å; A332-R334 PolarHBondContact O-N 2.82Å; R334-Q338 WeakPolarHBondContact O-CG 3.22Å
335	A	84.6	Confident	72.5	Confident	55 Å²	55	111.8 Å²	111.8	46%	0.455	60%	0.599	S	S	.	*	H	α-helix	trans	-70.7	-48.4	173.2	0	0	0	0	0	111.8	A331 A332 I333 L337 Q338 E339	A331-A335 PolarHBondContact O-N 2.97Å; A332-A335 PolarHBondContact O-N 3.39Å; I333-A335 VanDerWaalsContact C-N 3.33Å; I333-A335 PolarHBondContact O-N 2.89Å; A335-L337 PolarHBondContact O-N 3.45Å; A335-Q338 PolarHBondContact O-N 3.45Å; A335-E339 PolarHBondContact O-N 2.97Å; A335-E339 VanDerWaalsContact O-N 3.1Å
336	S	81.1	Confident	70.4	Confident	73 Å²	73	110.7 Å²	110.7	51%	0.51	60%	0.599	S	S	.	*	H	α-helix	trans	-60.1	-31.9	178.8	-58.7	0	0	0	0	113.3	A332 I333 Q338	A332-S336 PolarHBondContact O-N 2.89Å; A332-S336 PolarHBondContact O-OG 2.79Å; I333-S336 PolarHBondContact O-N 3.35Å; S336-Q338 VanDerWaalsContact C-N 3.31Å
337	L	78.9	Confident	68.4	Low	123 Å²	123	111.5 Å²	111.5	64%	0.644	61%	0.608	S	S	*	*	H	α-helix	trans	-76.2	-12.9	174.5	-71.5	172.5	0	0	0	114.4	I333 A335	I333-L337 HydrophobicContact CG2-CD1 4Å; I333-L337 WeakPolarHBondContact O-CG 3.49Å; I333-L337 PolarHBondContact O-N 2.84Å; A335-L337 PolarHBondContact O-N 3.45Å
338	Q	71.5	Confident	66.6	Low	131 Å²	131	114.1 Å²	114.1	61%	0.612	62%	0.624	S	S	*	*	H	α-helix	trans	-96.1	-34.5	176.7	-71.8	174.5	8.6	0	0	111.8	R334 A335 S336 T340 H341	R334-Q338 WeakPolarHBondContact O-CG 3.22Å; A335-Q338 PolarHBondContact O-N 3.45Å; S336-Q338 VanDerWaalsContact C-N 3.31Å; Q338-T340 VanDerWaalsContact C-N 3.34Å; Q338-T340 PolarHBondContact O-N 3.23Å; Q338-H341 PolarHBondContact O-N 3.05Å
339	E	64.1	Low	64.3	Low	156 Å²	156	118.7 Å²	118.7	73%	0.729	65%	0.645	S	S	*	*	H	α-helix	trans	-62.9	-38	179.3	-166.2	164	-150.2	0	0	112.2	A335 H341 Y342	A335-E339 PolarHBondContact O-N 2.97Å; A335-E339 VanDerWaalsContact O-N 3.1Å; E339-H341 PolarHBondContact O-N 3.42Å; E339-H341 VanDerWaalsContact O-N 3.15Å; E339-Y342 PolarHBondContact O-N 3.41Å
340	T	59.9	Low	62.1	Low	121 Å²	121	118 Å²	118	74%	0.742	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-12	176.8	54.4	0	0	0	0	115.1	Q338	Q338-T340 VanDerWaalsContact C-N 3.34Å; Q338-T340 PolarHBondContact O-N 3.23Å
341	H	55.6	Low	60.5	Low	157 Å²	157	118.2 Å²	118.2	73%	0.727	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-7.4	-177.6	-156.6	-55.6	0	0	0	113.3	Q338 E339	Q338-H341 PolarHBondContact O-N 3.05Å; E339-H341 PolarHBondContact O-N 3.42Å; E339-H341 VanDerWaalsContact O-N 3.15Å
342	Y	46.9	Very low	58.1	Low	182 Å²	182	124.1 Å²	124.1	71%	0.714	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-32.1	-172.7	-164.7	-106.6	0	0	0	114.3	E339 S344	E339-Y342 PolarHBondContact O-N 3.41Å; Y342-S344 PolarHBondContact O-N 3.42Å; Y342-S344 VanDerWaalsContact O-N 3.13Å
343	D	46.5	Very low	55.7	Low	164 Å²	164	126.6 Å²	126.6	88%	0.877	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	10.5	-165.1	-139.3	15.9	0	0	0	115
344	S	49	Very low	54.1	Low	115 Å²	115	127 Å²	127	80%	0.804	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.3	6.5	-169.5	-146.8	0	0	0	0	114.7	Y342	Y342-S344 PolarHBondContact O-N 3.42Å; Y342-S344 VanDerWaalsContact O-N 3.13Å
345	S	49.7	Very low	51.7	Low	84 Å²	84	131.3 Å²	131.3	59%	0.587	73%	0.729	S	S	*	*			trans	-157	72.2	-173.6	51.5	0	0	0	0	116.4
346	N	37.3	Very low	49.2	Very low	144 Å²	144	134.5 Å²	134.5	77%	0.77	75%	0.748	S	S	*	*			trans	-163.9	87.3	155.7	-102	-48.8	0	0	0	114.9
347	V	37.8	Very low	47.2	Very low	141 Å²	141	139 Å²	139	86%	0.855	76%	0.76	S	S	*	*			trans	-144.2	123.8	157.3	-174.6	0	0	0	0	109.3
348	P	45.4	Very low	45.1	Very low	116 Å²	116	141.1 Å²	141.1	75%	0.753	77%	0.773	S	S	*	*			trans	-85	165.8	-179.8	-14.4	31.8	0	0	0	116.2
349	E	37.2	Very low	43.7	Very low	190 Å²	190	143 Å²	143	89%	0.888	78%	0.782	S	S	*	*			trans	-55.3	170.9	-177.2	-56.5	177.7	83.6	0	0	115.9
350	A	38.8	Very low	42.4	Very low	86 Å²	86	141.6 Å²	141.6	71%	0.711	79%	0.789	S	S	*	*			cis	-166.4	-166.4	33.7	0	0	0	0	0	111.6
351	P	52.8	Low	41.4	Very low	117 Å²	117	143 Å²	143	76%	0.76	79%	0.792	S	S	*	*				-130.4	160.4	-60.8	35.1	-20.2	0	0	0	113.7
352	D	32.3	Very low	40.4	Very low	171 Å²	171	140 Å²	140	91%	0.914	79%	0.794	S	S	*	*			trans	-165.9	174.8	140.8	-125.8	-34.4	0	0	0	113
353	S	34.7	Very low	40.3	Very low	107 Å²	107	139 Å²	139	75%	0.748	80%	0.796	S	S	*	*			trans	-122.5	175	-173.8	-133.3	0	0	0	0	112.6
354	P	48.3	Very low	40.4	Very low	102 Å²	102	136.2 Å²	136.2	66%	0.662	79%	0.786	S	S	*	*			cis	-136.5	-178.4	-5	42.9	-26.2	0	0	0	115.5
355	R	34.6	Very low	39.4	Very low	223 Å²	223	139.4 Å²	139.4	84%	0.842	79%	0.786	S	S	*	*			trans	50.5	117.9	150.4	-81.7	176.3	150.6	167.3	-6.7	120.5
356	S	30.5	Very low	39.3	Very low	122 Å²	122	140.1 Å²	140.1	85%	0.853	79%	0.791	S	S	*	*				-158.2	133.1	115.3	56.3	0	0	0	0	111.5
357	E	39.3	Very low	39.1	Very low	166 Å²	166	139.7 Å²	139.7	78%	0.776	79%	0.789	S	S	*	*			trans	-86.9	132.3	164.2	57.6	-147.8	87.5	0	0	109
358	D	34.5	Very low	39.4	Very low	168 Å²	168	138 Å²	138	90%	0.898	78%	0.783	S	S	*	*			trans	-164.5	165.5	154.7	-130.6	-40.3	0	0	0	113.9
359	E	42.9	Very low	39.2	Very low	172 Å²	172	140.9 Å²	140.9	80%	0.804	79%	0.786	S	S	*	*			trans	-117.6	136.3	-175.3	174.6	-171.2	115.6	0	0	110
360	S	36.2	Very low	39.4	Very low	125 Å²	125	134.7 Å²	134.7	87%	0.874	77%	0.774	S	S	*	*			trans	-161.7	124.7	159.8	-82.9	0	0	0	0	114.2
361	D	38.4	Very low	39.7	Very low	151 Å²	151	137.1 Å²	137.1	81%	0.807	78%	0.782	S	S	*	*			trans	-72.7	148	158.4	167.7	38.4	0	0	0	111.1
362	A	35.4	Very low	39.1	Very low	93 Å²	93	139.8 Å²	139.8	77%	0.769	79%	0.788	S	S	*	*			trans	-175.7	83.6	157.3	0	0	0	0	0	113
363	E	44.7	Very low	39.4	Very low	163 Å²	163	137.1 Å²	137.1	76%	0.762	78%	0.783	S	S	*	*			trans	-68	137	140.3	-81.3	-71.1	164.9	0	0	107.7
364	P	47.9	Very low	39.9	Very low	104 Å²	104	138.9 Å²	138.9	68%	0.675	79%	0.789	S	S	*	*				-157.5	154.7	78.4	39.1	-19	0	0	0	117.5
365	F	29.6	Very low	39.3	Very low	183 Å²	183	142.1 Å²	142.1	80%	0.803	80%	0.801	S	S	*	*				-163.6	139.3	102.8	-129	-98.1	0	0	0	113.7
366	S	47.2	Very low	39.2	Very low	99 Å²	99	134.5 Å²	134.5	69%	0.692	79%	0.791	S	S	*	*			trans	-96.5	129.2	168.9	165.1	0	0	0	0	109.3
367	D	32.1	Very low	39.6	Very low	135 Å²	135	133.6 Å²	133.6	72%	0.722	79%	0.785	S	S	*	*			trans	-141.9	155.3	151	-148	-16	0	0	0	110.8
368	S	43.9	Very low	39.3	Very low	104 Å²	104	132.2 Å²	132.2	73%	0.727	78%	0.783	S	S	*	*			trans	-152.7	72.6	-172.4	-72.2	0	0	0	0	111.5
369	E	42.5	Very low	39.5	Very low	177 Å²	177	128.9 Å²	128.9	83%	0.827	77%	0.773	S	S	*	*			trans	-79.1	136.7	173.3	-75.8	-74.7	90	0	0	111.8
370	G	40.3	Very low	39	Very low	61 Å²	61	129.7 Å²	129.7	63%	0.629	78%	0.777	S	S	*	*			trans	-82	178.5	-171.3	0	0	0	0	0	115.8
371	P	45.6	Very low	38.8	Very low	136 Å²	136	130.1 Å²	130.1	88%	0.883	78%	0.775	S	S	*	*			trans	-73.7	130.6	-175.5	29.8	-34.8	0	0	0	112.7
372	I	40.8	Very low	39.1	Very low	173 Å²	173	128.2 Å²	128.2	89%	0.887	77%	0.77	S	S	*	*			trans	-78.1	120.2	166.4	50	168.9	0	0	0	110.8
373	S	39.1	Very low	39.1	Very low	116 Å²	116	128.3 Å²	128.3	81%	0.811	77%	0.771	S	S	*	*			trans	-120.9	137	165.6	-172.5	0	0	0	0	108.4
374	V	43.5	Very low	39.1	Very low	143 Å²	143	125.3 Å²	125.3	87%	0.867	77%	0.766	S	S	*	*			trans	-141.1	154.1	-178.7	-81.3	0	0	0	0	110.2
375	D	35.7	Very low	38.2	Very low	171 Å²	171	127.8 Å²	127.8	91%	0.914	77%	0.768	S	S	*	*			trans	-129.3	168.9	-140.9	-180	42.1	0	0	0	114.9
376	G	34.1	Very low	38.3	Very low	62 Å²	62	125.7 Å²	125.7	64%	0.639	76%	0.761	S	S	*	*			trans	126.5	122	168.4	0	0	0	0	0	112.7
377	S	37.2	Very low	37.4	Very low	104 Å²	104	127 Å²	127	73%	0.727	76%	0.756	S	S	*	*			cis	-158.8	179.9	0.9	-141.8	0	0	0	0	108.1
378	D	33.8	Very low	37.3	Very low	137 Å²	137	128.3 Å²	128.3	73%	0.733	76%	0.755	S	S	*	*			cis	-155.8	-152.4	15.5	-148.9	-81.2	0	0	0	111.8
379	S	38.3	Very low	36.5	Very low	97 Å²	97	128.4 Å²	128.4	68%	0.678	76%	0.756	S	S	*	*			trans	-74.8	164.6	-173.4	-46.5	0	0	0	0	114.1
380	E	32	Very low	36	Very low	189 Å²	189	125 Å²	125	88%	0.883	75%	0.751	S	S	*	*			cis	-140.4	174.3	29.8	-70.8	-167.5	88.2	0	0	115.5
381	T	33.5	Very low	35.5	Very low	135 Å²	135	127.8 Å²	127.8	83%	0.828	76%	0.757	S	S	*	*			trans	-102	-172	-178.6	25.8	0	0	0	0	111.8
382	P	43.6	Very low	34.7	Very low	111 Å²	111	126.1 Å²	126.1	72%	0.721	75%	0.748	S	S	*	*			cis	-137.5	142.7	2.6	35.4	-14.5	0	0	0	119
383	A	35.4	Very low	34.2	Very low	94 Å²	94	127 Å²	127	78%	0.777	75%	0.745	S	S	*	*				54.6	175.8	125.9	0	0	0	0	0	122.8
384	P	44.1	Very low	33.6	Very low	101 Å²	101	132 Å²	132	66%	0.656	75%	0.748	S	S	*	*			cis	-131.7	-171.4	-32.6	19.2	6.3	0	0	0	114.4
385	H	29.7	Very low	33	Very low	155 Å²	155	131.2 Å²	131.2	72%	0.718	74%	0.744	S	S	*	*			trans	78.4	144.2	158.6	-63.6	-64.6	0	0	0	120
386	E	31.5	Very low	33.7	Very low	140 Å²	140	128.7 Å²	128.7	65%	0.654	74%	0.737	S	S	*	*			cis	-151.3	141.8	-13	-82	-109.9	127.5	0	0	112.8
387	E	29.8	Very low	33.4	Very low	125 Å²	125	131.3 Å²	131.3	58%	0.584	75%	0.745	S	S	*	*			trans	49.2	136.4	135.1	-59	-151.4	124.6	0	0	128.1
388	K	29.9	Very low	33.1	Very low	163 Å²	163	130.1 Å²	130.1	71%	0.709	74%	0.741	S	S	*	*			trans	68.4	131	141.8	-67.8	160.9	-171.9	156.4	0	119.4
389	S	27	Very low	32.8	Very low	107 Å²	107	129.4 Å²	129.4	75%	0.748	74%	0.742	S	S	*	*			cis	73.1	135.8	48.3	-159.7	0	0	0	0	112.3
390	S	30.7	Very low	32.4	Very low	104 Å²	104	131.3 Å²	131.3	73%	0.727	75%	0.75	S	S	*	*			cis	-170	170.6	14.5	32.5	0	0	0	0	109.7
391	T	29.3	Very low	32.2	Very low	121 Å²	121	126.4 Å²	126.4	74%	0.742	74%	0.741	S	S	*	*			cis	-176.1	156.7	-20	-81.8	0	0	0	0	109.6
392	S	30.5	Very low	31.9	Very low	101 Å²	101	126.5 Å²	126.5	71%	0.706	74%	0.742	S	S	*	*			trans	71.4	120.4	166.8	68.2	0	0	0	0	118.9
393	K	29.9	Very low	31.2	Very low	190 Å²	190	126 Å²	126	83%	0.826	75%	0.747	S	S	*	*				72.7	112.2	80.7	-68.8	-178	179.2	-179.3	0	116.3
394	Y	26.5	Very low	30.9	Very low	222 Å²	222	129.4 Å²	129.4	87%	0.871	75%	0.747	S	S	*	*				-177.8	166.1	111.8	-109.4	-82.8	0	0	0	111.7
395	T	30.3	Very low	30.1	Very low	126 Å²	126	132 Å²	132	77%	0.773	75%	0.75	S	S	*	*			trans	-122.2	-173.9	-176.4	57.3	0	0	0	0	110.4
396	P	50.7	Low	29.9	Very low	119 Å²	119	134.6 Å²	134.6	77%	0.773	75%	0.754	S	S	*	*			cis	-135.1	-174.4	-4.6	43.2	-26.2	0	0	0	115.1
397	S	27.6	Very low	29.7	Very low	117 Å²	117	135.2 Å²	135.2	82%	0.818	76%	0.761	S	S	*	*				159	170.7	124.7	-160.1	0	0	0	0	114.4
398	A	30.7	Very low	29.6	Very low	78 Å²	78	137.6 Å²	137.6	65%	0.645	77%	0.772	S	S	*	*			trans	-50.9	174.5	-172.5	0	0	0	0	0	117.3
399	T	28.7	Very low	30.1	Very low	123 Å²	123	135 Å²	135	76%	0.755	77%	0.771	S	S	*	*			cis	-171.3	129.4	49.1	-34.8	0	0	0	0	114.8
400	V	28.7	Very low	30	Very low	137 Å²	137	137.4 Å²	137.4	83%	0.83	78%	0.776	S	S	*	*			trans	46.2	150.5	138.7	-174.4	0	0	0	0	123.3
401	A	28.6	Very low	29.8	Very low	85 Å²	85	137.2 Å²	137.2	70%	0.702	78%	0.775	S	S	*	*			trans	96.1	87.2	155.3	0	0	0	0	0	121.6
402	T	26.8	Very low	29.8	Very low	137 Å²	137	137.2 Å²	137.2	84%	0.84	78%	0.78	S	S	*	*				15.9	122.5	115.3	-41.1	0	0	0	0	120.5
403	A	28.8	Very low	29.6	Very low	101 Å²	101	138.8 Å²	138.8	84%	0.835	79%	0.785	S	S	*	*			trans	-155.1	165.7	146.2	0	0	0	0	0	110.4
404	Q	28.6	Very low	29.5	Very low	165 Å²	165	134.6 Å²	134.6	77%	0.771	78%	0.78	S	S	*	*			trans	-130.4	168.4	-174.5	-56.5	-177.8	-24.5	0	0	113.7
405	Q	28.5	Very low	29.5	Very low	156 Å²	156	128.9 Å²	128.9	73%	0.729	77%	0.773	S	S	*	*			trans	79.6	113.1	152.7	-71.3	-176	37	0	0	121.1
406	R	25.9	Very low	29.3	Very low	209 Å²	209	131.4 Å²	131.4	79%	0.789	78%	0.775	S	S	*	*				76.5	110.7	117.2	-167.1	-158.3	-107.9	-98.9	0.6	118.6
407	L	26.3	Very low	28.2	Very low	153 Å²	153	137.6 Å²	137.6	80%	0.801	78%	0.783	S	S	*	*				-175.8	155.9	108	-94.3	172.8	0	0	0	111.8
408	Q	28	Very low	28.2	Very low	176 Å²	176	141.6 Å²	141.6	82%	0.822	79%	0.786	S	S	*	*			trans	-108	175.8	161.2	-76	-168.3	17	0	0	108
409	P	40.9	Very low	28.1	Very low	107 Å²	107	143.2 Å²	143.2	70%	0.695	79%	0.792	S	S	*	*			cis	-124.3	-173.5	-3.4	41.4	-27	0	0	0	112.7
410	D	24.8	Very low	28.6	Very low	158 Å²	158	143.1 Å²	143.1	85%	0.845	79%	0.794	S	S	*	*				-162.7	171.6	116.4	-127.3	-31.2	0	0	0	113.7
411	S	26.5	Very low	28.4	Very low	101 Å²	101	146.6 Å²	146.6	71%	0.706	79%	0.794	S	S	*	*			trans	-107.8	147	-170.5	67.2	0	0	0	0	115
412	S	28.5	Very low	28.4	Very low	120 Å²	120	150.7 Å²	150.7	84%	0.839	80%	0.795	S	S	*	*			trans	-166.1	143.6	144.1	17.4	0	0	0	0	115
413	T	26.3	Very low	28.3	Very low	134 Å²	134	150.5 Å²	150.5	82%	0.822	79%	0.785	S	S	*	*			trans	-47.3	156.4	170.6	53.2	0	0	0	0	117.1
414	S	27.5	Very low	28	Very low	103 Å²	103	153.5 Å²	153.5	72%	0.72	79%	0.787	S	S	*	*				167.5	122.6	116.7	-171.1	0	0	0	0	116
415	S	26.6	Very low	27.9	Very low	102 Å²	102	151.1 Å²	151.1	71%	0.713	78%	0.78	S	S	*	*			trans	60.9	128.6	135.8	-49.7	0	0	0	0	125.4
416	H	26.5	Very low	27.8	Very low	178 Å²	178	151.9 Å²	151.9	82%	0.824	78%	0.783	S	S	*	*			trans	-6.1	142	147.2	-59.2	-87	0	0	0	121.2
417	R	27	Very low	27.8	Very low	250 Å²	250	146.3 Å²	146.3	94%	0.943	78%	0.776	S	S	*	*				-164.9	165.2	102.6	-98.9	159.6	-166	-140	1.9	112.3
418	K	27.6	Very low	27.8	Very low	200 Å²	200	147.7 Å²	147.7	87%	0.87	78%	0.778	S	S	*	*			trans	-153.5	168.2	-175	-144.9	177.4	-173.2	-179.5	0	110
419	S	28.2	Very low	27.7	Very low	112 Å²	112	148.4 Å²	148.4	78%	0.783	78%	0.778	S	S	*	*			trans	78.2	162.3	179.8	88.5	0	0	0	0	115
420	P	40	Very low	27	Very low	121 Å²	121	150.9 Å²	150.9	79%	0.786	78%	0.778	S	S	*	*			cis	-131.3	-176.2	11.9	40.8	-22.7	0	0	0	118
421	Y	24.8	Very low	27	Very low	211 Å²	211	151.4 Å²	151.4	83%	0.827	78%	0.775	S	S	*	*			trans	-69.8	155.4	-178.5	-86.2	-113.4	0	0	0	116.1
422	K	28	Very low	27	Very low	171 Å²	171	152.8 Å²	152.8	74%	0.743	77%	0.771	S	S	*	*				-176.7	127.8	103.5	-98.7	-175.3	174.6	-90.2	0	110.8
423	E	24.5	Very low	27	Very low	133 Å²	133	153.2 Å²	153.2	62%	0.621	77%	0.774	S	S	*	*				61.9	118.4	88.5	-73.1	-168.9	112.6	0	0	116.5
424	N	23.5	Very low	27.1	Very low	163 Å²	163	154.4 Å²	154.4	87%	0.872	77%	0.767	S	S	*	*				-147.6	153.7	125.7	-159.6	9	0	0	0	110.4
425	N	25.3	Very low	27.2	Very low	116 Å²	116	158.7 Å²	158.7	62%	0.62	77%	0.773	S	S	*	*			trans	-114	152.6	-179.6	-88.8	-75.1	0	0	0	111
426	H	26.3	Very low	27.3	Very low	172 Å²	172	161 Å²	161	80%	0.796	78%	0.777	S	S	*	*			trans	-150.8	132.2	137.1	-137.9	-75.4	0	0	0	112.8
427	S	26.6	Very low	27.2	Very low	91 Å²	91	160 Å²	160	64%	0.636	77%	0.773	S	S	*	*			trans	-103.4	148.3	179.6	-47.6	0	0	0	0	110.7
428	H	26.1	Very low	27.3	Very low	182 Å²	182	155.4 Å²	155.4	84%	0.843	77%	0.766	S	S	*	*			trans	-135.7	166.2	157.8	-95.7	-87.3	0	0	0	111.7
429	K	26.3	Very low	27.2	Very low	192 Å²	192	153.2 Å²	153.2	84%	0.835	76%	0.759	S	S	*	*			trans	-103.2	139.6	-147.7	-103.1	175.1	178.3	170.8	0	115
430	K	24.9	Very low	27.5	Very low	159 Å²	159	153 Å²	153	69%	0.691	75%	0.754	S	S	*	*				57.6	114.4	125.5	-173.8	-160	172.8	-100.4	0	118.4
431	E	26.2	Very low	26.8	Very low	169 Å²	169	152.3 Å²	152.3	79%	0.79	75%	0.753	S	S	*	*				-153.3	160.3	106.6	-131.7	156.4	-150.4	0	0	116.1
432	E	26.3	Very low	27	Very low	130 Å²	130	146.8 Å²	146.8	61%	0.607	75%	0.751	S	S	*	*			trans	-133.9	140.5	-176	175.5	-176.2	173.1	0	0	108.9	K434	E432-K434 IonicContact OE1-NZ 2.64Å; E432-K434 PolarHBondContact OE1-NZ 2.98Å
433	S	27.5	Very low	27.6	Very low	129 Å²	129	144.8 Å²	144.8	90%	0.902	76%	0.755	S	S	*	*			trans	-151.4	119.4	159.2	-82.3	0	0	0	0	111.3
434	K	29.8	Very low	27.8	Very low	159 Å²	159	143.8 Å²	143.8	69%	0.691	76%	0.763	S	S	*	*			trans	-108.8	140.3	171.6	-61.2	-176.2	178.4	95.9	0	109.7	E432	E432-K434 IonicContact OE1-NZ 2.64Å; E432-K434 PolarHBondContact OE1-NZ 2.98Å
435	K	29.3	Very low	28.6	Very low	193 Å²	193	141.5 Å²	141.5	84%	0.839	76%	0.757	S	S	*	*			trans	158.4	150.1	150.9	-92.5	160.1	-178.8	-178.6	0	109.8
436	N	27.8	Very low	28.6	Very low	150 Å²	150	142.6 Å²	142.6	80%	0.802	76%	0.762	S	S	*	*			cis	-158.2	163.7	-25.5	-121.5	20.2	0	0	0	109
437	H	26.1	Very low	28.7	Very low	158 Å²	158	142.7 Å²	142.7	73%	0.731	76%	0.763	S	S	*	*			trans	-75.9	147.1	173	162.8	83.9	0	0	0	112.5
438	L	28.8	Very low	28.6	Very low	153 Å²	153	143 Å²	143	80%	0.801	76%	0.764	S	S	*	*			trans	173.1	143	133.8	-95	165.2	0	0	0	114.3
439	E	24.3	Very low	29.5	Very low	154 Å²	154	139.5 Å²	139.5	72%	0.72	76%	0.758	S	S	*	*			trans	-89	173.8	153	-130	-154.3	110.6	0	0	108.5
440	P	35.8	Very low	30.7	Very low	106 Å²	106	135.7 Å²	135.7	69%	0.688	75%	0.753	S	S	*	*				-158.4	176.9	50.6	44.3	-22.1	0	0	0	119.7
441	S	23.8	Very low	30.9	Very low	108 Å²	108	137 Å²	137	76%	0.755	76%	0.762	S	S	*	*			trans	56.8	146.9	139.1	-67.5	0	0	0	0	124.7
442	A	29.8	Very low	31.1	Very low	95 Å²	95	134.2 Å²	134.2	79%	0.785	77%	0.767	S	S	*	*			trans	-92.2	171.4	172	0	0	0	0	0	113.9
443	P	40.2	Very low	31.1	Very low	128 Å²	128	135.1 Å²	135.1	83%	0.831	78%	0.776	S	S	*	*				-150	169.2	112.1	39.8	-24.2	0	0	0	117
444	S	28.6	Very low	31.3	Very low	112 Å²	112	134.8 Å²	134.8	78%	0.783	77%	0.774	S	S	*	*			trans	-101.5	176.1	163	-45.7	0	0	0	0	110.8
445	P	41.2	Very low	31.1	Very low	115 Å²	115	130.5 Å²	130.5	75%	0.747	78%	0.775	S	S	*	*				-164.1	-171.9	88.5	45.2	-24.3	0	0	0	118.7
446	L	24.4	Very low	31	Very low	140 Å²	140	124.6 Å²	124.6	73%	0.733	77%	0.769	S	S	*	*			trans	72.4	108.4	150.7	-75.7	170.7	0	0	0	122.6
447	H	28.4	Very low	31.3	Very low	174 Å²	174	123.6 Å²	123.6	81%	0.806	76%	0.764	S	S	*	*				-179.5	172.2	92	-109.7	-75.3	0	0	0	113.6
448	S	24.9	Very low	31.5	Very low	96 Å²	96	125.1 Å²	125.1	67%	0.671	77%	0.771	S	S	*	*			trans	-158	-167.6	-174.6	64.5	0	0	0	0	109.1
449	P	44.2	Very low	31.4	Very low	109 Å²	109	124.2 Å²	124.2	71%	0.708	78%	0.776	S	S	*	*			cis	-128.7	-131.3	-8.7	37.7	-13.9	0	0	0	109.3
450	P	53.3	Low	31.6	Very low	112 Å²	112	121.4 Å²	121.4	73%	0.727	78%	0.779	S	S	*	*			cis	-126.9	-154.4	-28	31.4	-6.3	0	0	0	111.1
451	E	28.7	Very low	31.4	Very low	187 Å²	187	122.3 Å²	122.3	87%	0.874	79%	0.788	S	S	*	*			cis	-144.8	155.3	-3.2	-81.6	-168.6	112.1	0	0	109.4
452	A	30.5	Very low	31.7	Very low	110 Å²	110	126.3 Å²	126.3	91%	0.909	80%	0.795	S	S	*	*			trans	166.3	136.6	137.3	0	0	0	0	0	111.5
453	D	26.4	Very low	31.6	Very low	149 Å²	149	125.8 Å²	125.8	80%	0.797	79%	0.79	S	S	*	*			trans	-138.8	152.4	-174.2	173	42.8	0	0	0	113.5	G455	D453-G455 PolarHBondContact OD1-N 3.47Å
454	S	30.2	Very low	31.1	Very low	122 Å²	122	129.6 Å²	129.6	85%	0.853	79%	0.794	S	S	*	*			trans	-171.8	85.2	149.1	-81.1	0	0	0	0	114.2
455	G	26.4	Very low	31.2	Very low	69 Å²	69	129.1 Å²	129.1	71%	0.711	80%	0.797	S	S	*	*				67.5	98.1	122.4	0	0	0	0	0	124.3	D453	D453-G455 PolarHBondContact OD1-N 3.47Å
456	G	27.6	Very low	30.6	Very low	70 Å²	70	127.8 Å²	127.8	72%	0.722	80%	0.795	S	S	*	*			trans	84.2	163.1	136.7	0	0	0	0	0	120.3
457	N	32.9	Very low	30.8	Very low	129 Å²	129	128 Å²	128	69%	0.69	80%	0.803	S	S	*	*			cis	-165.2	132.5	-10.8	-117.2	-6.4	0	0	0	113
458	H	31.3	Very low	30.8	Very low	190 Å²	190	125.7 Å²	125.7	88%	0.88	80%	0.8	S	S	*	*			trans	59.6	144.6	161.8	-37.5	-42.9	0	0	0	117.8
459	C	27.1	Very low	31.1	Very low	134 Å²	134	126.2 Å²	126.2	91%	0.905	80%	0.804	S	S	*	*			cis	-148.5	178.6	33.9	-166.8	0	0	0	0	111.3
460	A	27.2	Very low	30.7	Very low	94 Å²	94	125.9 Å²	125.9	78%	0.777	80%	0.804	S	S	*	*			trans	-131.9	150	-165.1	0	0	0	0	0	116
461	S	31.8	Very low	30.2	Very low	125 Å²	125	125.9 Å²	125.9	87%	0.874	80%	0.797	S	S	*	*			trans	-155.7	156.2	151.5	53.9	0	0	0	0	112.3
462	Q	30.5	Very low	31	Very low	193 Å²	193	119.6 Å²	119.6	90%	0.902	77%	0.774	S	S	*	*			trans	-101	163	-173.8	-75.7	177.5	17.5	0	0	110.7
463	A	29	Very low	31.5	Very low	84 Å²	84	119.5 Å²	119.5	69%	0.694	76%	0.762	S	S	*	*			cis	-172.6	-170.8	-13.2	0	0	0	0	0	109.7
464	K	29.8	Very low	32.6	Very low	208 Å²	208	114.5 Å²	114.5	90%	0.904	74%	0.737	S	S	*	*			trans	81.1	101.4	163.8	-67.4	-173.9	176.9	-179.8	0	118.7
465	A	28.7	Very low	33.3	Very low	102 Å²	102	113.6 Å²	113.6	84%	0.843	73%	0.726	S	S	*	*			trans	-39.4	145.1	163	0	0	0	0	0	117.5
466	A	29.7	Very low	34.3	Very low	86 Å²	86	111.5 Å²	111.5	71%	0.711	70%	0.701	S	S	*	*			trans	-135.4	136.9	140.3	0	0	0	0	0	107.8	T468	A466-T468 PolarHBondContact O-N 2.79Å; A466-T468 VanDerWaalsContact O-N 3.12Å
467	T	28.5	Very low	34.9	Very low	146 Å²	146	115.6 Å²	115.6	90%	0.896	71%	0.706	S	S	*	*			trans	-80.1	95.7	-172.3	-50.9	0	0	0	0	111.3
468	T	27.7	Very low	35.5	Very low	124 Å²	124	113.8 Å²	113.8	76%	0.761	70%	0.7	S	S	*	*			trans	-88.7	116.9	177.1	-54.2	0	0	0	0	111.4	A466 S470	A466-T468 PolarHBondContact O-N 2.79Å; A466-T468 VanDerWaalsContact O-N 3.12Å; T468-S470 PolarHBondContact O-N 3.05Å; T468-S470 VanDerWaalsContact O-N 3.17Å
469	S	32.4	Very low	36	Very low	107 Å²	107	112.8 Å²	112.8	75%	0.748	70%	0.701	S	S	*	*			trans	-65.5	109.5	170.5	-55	0	0	0	0	110.4	I471	S469-I471 PolarHBondContact O-N 3.3Å; S469-I471 VanDerWaalsContact O-N 3.09Å
470	S	35.8	Very low	36.7	Very low	102 Å²	102	111.1 Å²	111.1	71%	0.713	69%	0.69	S	S	*	*			trans	-72.2	100.9	-177.8	54	0	0	0	0	111.8	T468 S472	T468-S470 PolarHBondContact O-N 3.05Å; T468-S470 VanDerWaalsContact O-N 3.17Å; S470-S472 PolarHBondContact O-N 3.48Å
471	I	41.5	Very low	37.4	Very low	113 Å²	113	112.2 Å²	112.2	58%	0.579	69%	0.688	S	S	*	*			trans	-80.5	109.6	168.4	-59.9	175.4	0	0	0	108	S469	S469-I471 PolarHBondContact O-N 3.3Å; S469-I471 VanDerWaalsContact O-N 3.09Å
472	S	46.9	Very low	38.3	Very low	55 Å²	55	113.6 Å²	113.6	39%	0.385	69%	0.686	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.6	113	168.5	44.4	0	0	0	0	109.5	S470 Q501	S470-S472 PolarHBondContact O-N 3.48Å; S472-Q501 PolarHBondContact O-N 3.36Å
473	T	39.8	Very low	39.6	Very low	107 Å²	107	106.7 Å²	106.7	66%	0.656	66%	0.655	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.6	110	170.3	-56.7	0	0	0	0	108.4
474	T	50.7	Low	41.4	Very low	45 Å²	45	110.2 Å²	110.2	28%	0.276	66%	0.663	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.1	111.2	-178.6	-50.3	0	0	0	0	109.8	C476 E500 Q501	T474-C476 PolarHBondContact O-N 2.75Å; T474-E500 WeakPolarHBondContact CB-OE1 3.43Å; T474-E500 PolarHBondContact OG1-OE1 3.11Å; T474-Q501 PolarHBondContact N-O 3.48Å
475	T	44.4	Very low	43.3	Very low	102 Å²	102	101.7 Å²	101.7	63%	0.626	63%	0.633	S	S	*	*			trans	-80.4	103.3	164.2	46	0	0	0	0	108.5	D477	T475-D477 PolarHBondContact O-N 3.12Å
476	C	47.9	Very low	45.9	Very low	26 Å²	26	100.9 Å²	100.9	18%	0.176	62%	0.62	C	S	.	*			trans	-88.4	92.3	176.5	34.6	0	0	0	0	110.5	T474 V478 H516	T474-C476 PolarHBondContact O-N 2.75Å; C476-V478 HydrophobicContact CB-CG2 4.37Å; C476-V478 PolarHBondContact O-N 2.76Å; C476-H516 PolarHBondContact SG-ND1 3.31Å; C476-H516 VanDerWaalsContact SG-ND1 3.42Å
477	D	39.5	Very low	48.9	Very low	156 Å²	156	101.8 Å²	101.8	83%	0.834	61%	0.608	S	S	*	*			trans	-68.9	90.7	172.7	-65.4	-55.5	0	0	0	110.4	T475	T475-D477 PolarHBondContact O-N 3.12Å
478	V	44.9	Very low	51.9	Low	91 Å²	91	94.9 Å²	94.9	55%	0.552	57%	0.565	S	S	*	*			trans	-112.4	100.4	177.6	-179.7	0	0	0	0	109.1	C476 C480	C476-V478 HydrophobicContact CB-CG2 4.37Å; C476-V478 PolarHBondContact O-N 2.76Å; V478-C480 PolarHBondContact O-N 2.86Å
479	D	42.7	Very low	55.1	Low	168 Å²	168	95.6 Å²	95.6	90%	0.898	55%	0.554	S	S	*	*	S	Bend	trans	15.4	78.7	169.3	-74.1	-56.2	0	0	0	117.4
480	C	41.6	Very low	58.1	Low	100 Å²	100	90.5 Å²	90.5	68%	0.676	52%	0.518	S	S	*	.			trans	-144.4	140.1	155	-103.9	0	0	0	0	108.5	V478	V478-C480 PolarHBondContact O-N 2.86Å
481	P	42.5	Very low	61	Low	116 Å²	116	87.5 Å²	87.5	75%	0.753	49%	0.493	S	S	*	.			trans	-62.9	154.5	177.4	28.8	-35.4	0	0	0	111	D483	P481-D483 VanDerWaalsContact C-N 3.27Å; P481-D483 PolarHBondContact O-N 2.75Å
482	D	50.4	Low	63.6	Low	155 Å²	155	82.1 Å²	82.1	83%	0.829	47%	0.466	S	S	*	.			trans	-55	73.6	-164.1	-159	4.9	0	0	0	115.3	N484	D482-N484 PolarHBondContact O-N 2.98Å; D482-N484 VanDerWaalsContact O-N 3.1Å
483	D	56.6	Low	65.9	Low	47 Å²	47	83.2 Å²	83.2	25%	0.251	46%	0.462	S	S	.	.			trans	-81	90.2	-176.9	-172.5	28.9	0	0	0	109.1	P481 G485 S505 K507	P481-D483 VanDerWaalsContact C-N 3.27Å; P481-D483 PolarHBondContact O-N 2.75Å; D483-G485 PolarHBondContact O-N 2.89Å; D483-S505 PolarHBondContact OD2-OG 3.48Å; D483-S505 VanDerWaalsContact OD2-OG 3.11Å; D483-K507 IonicContact OD1-NZ 3.95Å; D483-K507 PolarHBondContact OD1-NZ 2.96Å; D483-K507 WeakPolarHBondContact OD2-CD 3.4Å; D483-K507 WeakPolarHBondContact OD2-CE 3.25Å; D483-K507 IonicContact OD2-NZ 2.92Å; D483-K507 PolarHBondContact OD2-NZ 3.17Å
484	N	66.8	Low	68.6	Low	159 Å²	159	79.1 Å²	79.1	85%	0.85	43%	0.434	S	S	*	.			trans	-70.1	29.9	175.1	-155.4	12.3	0	0	0	113	D482	D482-N484 PolarHBondContact O-N 2.98Å; D482-N484 VanDerWaalsContact O-N 3.1Å
485	G	71.6	Confident	70.5	Confident	28 Å²	28	80.2 Å²	80.2	29%	0.289	44%	0.442	S	S	.	.	S	Bend	trans	-97	-169.6	178.7	0	0	0	0	0	113.2	D483 K487	D483-G485 PolarHBondContact O-N 2.89Å; G485-K487 PolarHBondContact O-N 3.29Å
486	P	83.1	Confident	72.7	Confident	85 Å²	85	79.3 Å²	79.3	55%	0.552	43%	0.434	S	S	*	.			trans	-62.5	132.2	-177.5	23.5	-32.1	0	0	0	112.3	S506	P486-S506 WeakPolarHBondContact O-CB 3.25Å; P486-S506 PolarHBondContact O-N 3.46Å; P486-S506 PolarHBondContact O-OG 2.92Å
487	K	91.3	Very high	74.6	Confident	106 Å²	106	80.7 Å²	80.7	46%	0.461	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132.7	177.6	-56.1	-168.8	-179	-173.1	0	110.6	G485 S503 L504	G485-K487 PolarHBondContact O-N 3.29Å; K487-S503 WeakPolarHBondContact CB-OG 3.2Å; K487-L504 CarbonylContact C-O 3.56Å; K487-L504 WeakPolarHBondContact CA-O 3.41Å; K487-L504 WeakPolarHBondContact CB-O 3.46Å
488	A	92.8	Very high	77.1	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	133.4	169.5	0	0	0	0	0	109.7	L490 S503 L504 L547	A488-L490 HydrophobicContact CB-CD2 4.34Å; A488-L490 HydrophobicContact CB-CG 4.39Å; A488-S503 WeakPolarHBondContact O-CA 3.43Å; A488-S503 PolarHBondContact O-OG 2.93Å; A488-S503 VanDerWaalsContact O-OG 3.08Å; A488-L504 PolarHBondContact N-O 3.29Å; A488-L504 PolarHBondContact O-N 2.91Å; A488-L504 VanDerWaalsContact O-N 3.09Å; A488-L547 HydrophobicContact CB-CB 4.47Å; A488-L547 HydrophobicContact CB-CD1 4.17Å
489	R	95.2	Very high	79.4	Confident	140 Å²	140	80.8 Å²	80.8	53%	0.528	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	106.3	174.2	-65.8	177.7	176.7	178.3	-1.2	109	P554 Q555 E556	R489-P554 PolarHBondContact N-O 3.19Å; R489-Q555 HydrophobicContact CB-CB 4.11Å; R489-Q555 HydrophobicContact CB-CG 4.13Å; R489-Q555 VanDerWaalsContact O-CA 3.24Å; R489-Q555 WeakPolarHBondContact O-CA 3.41Å; R489-Q555 WeakPolarHBondContact O-CG 3.37Å; R489-E556 PolarHBondContact O-N 3.29Å; R489-E556 VanDerWaalsContact O-N 3.13Å
490	L	95	Very high	81.9	Confident	0 Å²	0	73 Å²	73	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	123.8	-172.8	-54.5	178.4	0	0	0	110.2	A488 L492 I502 L504 L513 L547 L552 E556	A488-L490 HydrophobicContact CB-CD2 4.34Å; A488-L490 HydrophobicContact CB-CG 4.39Å; L490-L492 HydrophobicContact CB-CD2 4.18Å; L490-I502 HydrophobicContact CB-CD1 4.48Å; L490-I502 HydrophobicContact CB-CG1 3.88Å; L490-I502 HydrophobicContact CD1-CD1 4.43Å; L490-I502 PolarHBondContact N-O 3.36Å; L490-I502 PolarHBondContact O-N 3.1Å; L490-L504 HydrophobicContact CD1-CD1 4.26Å; L490-L513 HydrophobicContact CD1-CD1 3.78Å; L490-L513 HydrophobicContact CD1-CD2 3.92Å; L490-L513 HydrophobicContact CD1-CG 4.34Å; L490-L547 HydrophobicContact CD1-CD1 4.44Å; L490-L552 HydrophobicContact CD2-CB 3.96Å; L490-L552 WeakPolarHBondContact CD2-O 3.35Å; L490-E556 HydrophobicContact CD2-CB 4.21Å
491	M	95.8	Very high	84.4	Confident	38 Å²	38	71.2 Å²	71.2	19%	0.187	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	101	172.3	179.4	60.4	58	0	0	108.4	R499 Q501 E556 T557 V558	M491-R499 HydrophobicContact SD-CB 4.24Å; M491-Q501 HydrophobicContact CE-CB 3.88Å; M491-Q501 HydrophobicContact CE-CG 4.13Å; M491-E556 PolarHBondContact N-O 2.82Å; M491-T557 HydrophobicContact CB-CG2 4.29Å; M491-T557 HydrophobicContact CG-CG2 4.21Å; M491-T557 CarbonylContact O-C 3.59Å; M491-T557 WeakPolarHBondContact O-CA 3.28Å; M491-V558 PolarHBondContact O-N 3.26Å
492	L	96.3	Very high	86.9	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	137.5	179.4	-52.5	-174.3	0	0	0	109.8	L490 Y494 R499 E500 I502 L513 V517 V558	L490-L492 HydrophobicContact CB-CD2 4.18Å; L492-Y494 HydrophobicContact CB-CE1 4.49Å; L492-Y494 HydrophobicContact CB-CE2 4.2Å; L492-Y494 VanDerWaalsContact CD1-OH 3.27Å; L492-Y494 WeakPolarHBondContact CD1-OH 3.2Å; L492-R499 VanDerWaalsContact O-CA 3.27Å; L492-R499 WeakPolarHBondContact O-CA 3.44Å; L492-E500 HydrophobicContact CB-CB 4.49Å; L492-E500 PolarHBondContact N-O 3.12Å; L492-E500 PolarHBondContact O-N 2.8Å; L492-E500 VanDerWaalsContact O-N 3.1Å; L492-I502 HydrophobicContact CD1-CD1 3.9Å; L492-I502 HydrophobicContact CD1-CG1 4.25Å; L492-I502 HydrophobicContact CD1-CG2 4.42Å; L492-I502 HydrophobicContact CG-CD1 4.46Å; L492-I502 HydrophobicContact CG-CG1 4.4Å; L492-L513 HydrophobicContact CD1-CD1 4.48Å; L492-L513 HydrophobicContact CD2-CD1 3.83Å; L492-V517 HydrophobicContact CD1-CG2 4.08Å; L492-V558 WeakPolarHBondContact CA-O 3.43Å; L492-V558 HydrophobicContact CD2-CB 4Å
493	R	95.6	Very high	88.9	Confident	79 Å²	79	60.3 Å²	60.3	30%	0.298	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	117.8	177.4	-67.5	175.4	174.6	-111.6	2.8	109.1	R499 T557 V558 F559 V560	R493-R499 HydrophobicContact CG-CG 4.32Å; R493-T557 HydrophobicContact CG-CG2 4.2Å; R493-T557 VanDerWaalsContact NE-CG2 3.31Å; R493-V558 PolarHBondContact N-O 3.12Å; R493-F559 HydrophobicContact CB-CD1 4.1Å; R493-F559 HydrophobicContact CB-CE1 4.44Å; R493-F559 HydrophobicContact CB-CG 4.39Å; R493-F559 VanDerWaalsContact CD-CE1 3.4Å; R493-F559 VanDerWaalsContact CD-CZ 3.43Å; R493-V560 PolarHBondContact O-N 2.96Å
494	Y	95.3	Very high	90.6	Very high	20 Å²	20	58.8 Å²	58.8	8%	0.078	31%	0.306	C	S	.	.			trans	-97.4	157.7	-173	-61.6	-68.7	0	0	0	111.9	L492 D496 G497 Q498 E500 V517 K520 Y522 V560	L492-Y494 HydrophobicContact CB-CE1 4.49Å; L492-Y494 HydrophobicContact CB-CE2 4.2Å; L492-Y494 VanDerWaalsContact CD1-OH 3.27Å; L492-Y494 WeakPolarHBondContact CD1-OH 3.2Å; Y494-D496 WeakPolarHBondContact CB-OD1 3.33Å; Y494-D496 PolarHBondContact O-N 3.1Å; Y494-G497 PolarHBondContact O-N 3.14Å; Y494-Q498 HydrophobicContact CD2-CB 4.19Å; Y494-Q498 PolarHBondContact N-O 3.13Å; Y494-E500 HydrophobicContact CE2-CB 3.8Å; Y494-E500 PolarHBondContact OH-OE2 2.7Å; Y494-V517 HydrophobicContact CE1-CG1 4.44Å; Y494-K520 HydrophobicContact CE1-CB 4.28Å; Y494-Y522 AromaticContact CD1-CD2 3.47Å; Y494-Y522 HydrophobicContact CD1-CD2 3.47Å; Y494-Y522 VanDerWaalsContact CD1-CD2 3.47Å; Y494-Y522 AromaticContact CD1-CE2 3.33Å; Y494-Y522 HydrophobicContact CD1-CE2 3.33Å; Y494-Y522 HydrophobicContact CD1-CG 4.34Å; Y494-Y522 AromaticContact CE1-CD2 3.8Å; Y494-Y522 HydrophobicContact CE1-CD2 3.8Å; Y494-Y522 AromaticContact CE1-CE2 3.97Å; Y494-Y522 HydrophobicContact CE1-CE2 3.97Å; Y494-Y522 HydrophobicContact CG-CD2 4.37Å; Y494-Y522 AromaticContact CG-CE2 3.78Å; Y494-Y522 HydrophobicContact CG-CE2 3.78Å; Y494-V560 HydrophobicContact CD1-CB 4.14Å; Y494-V560 HydrophobicContact CD1-CG2 3.7Å; Y494-V560 HydrophobicContact CE1-CG2 3.9Å
495	P	91.5	Very high	91.9	Very high	69 Å²	69	52.2 Å²	52.2	45%	0.448	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-26.4	179.8	-23	32.6	0	0	0	114.7	G497 Y522 F527 V560	P495-G497 PolarHBondContact O-N 3.43Å; P495-Y522 VanDerWaalsContact CD-CE1 3.43Å; P495-Y522 HydrophobicContact CG-CD1 4.17Å; P495-Y522 HydrophobicContact CG-CE1 3.79Å; P495-F527 HydrophobicContact CG-CD1 4.03Å; P495-F527 HydrophobicContact CG-CE1 3.8Å; P495-V560 WeakPolarHBondContact CD-O 3.36Å; P495-V560 HydrophobicContact CG-CG1 4.47Å; P495-V560 WeakPolarHBondContact CG-O 3.36Å
496	D	90.1	Very high	92.7	Very high	83 Å²	83	51 Å²	51	44%	0.444	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-1.4	174.5	66	-1.9	0	0	0	113.7	Y494 Q498 Y522	Y494-D496 WeakPolarHBondContact CB-OD1 3.33Å; Y494-D496 PolarHBondContact O-N 3.1Å; D496-Q498 VanDerWaalsContact C-N 3.33Å; D496-Q498 VanDerWaalsContact OD1-CB 3.26Å; D496-Q498 WeakPolarHBondContact OD1-CB 3.15Å; D496-Q498 PolarHBondContact OD1-N 3.04Å; D496-Q498 WeakPolarHBondContact OD2-CG 3.34Å; D496-Q498 PolarHBondContact OD2-NE2 3.17Å; D496-Y522 PolarHBondContact OD2-OH 3.21Å
497	G	87.9	Confident	93.1	Very high	54 Å²	54	52.7 Å²	52.7	56%	0.557	26%	0.258	S	S	*	.	S	Bend	trans	86.5	-5.7	-177.6	0	0	0	0	0	114.7	Y494 P495	Y494-G497 PolarHBondContact O-N 3.14Å; P495-G497 PolarHBondContact O-N 3.43Å
498	Q	91.8	Very high	93.2	Very high	116 Å²	116	48.5 Å²	48.5	54%	0.542	24%	0.244	S	C	.	.			trans	-66.4	156.1	176	-67.8	-167.8	75.7	0	0	111.8	Y494 D496	Y494-Q498 HydrophobicContact CD2-CB 4.19Å; Y494-Q498 PolarHBondContact N-O 3.13Å; D496-Q498 VanDerWaalsContact C-N 3.33Å; D496-Q498 VanDerWaalsContact OD1-CB 3.26Å; D496-Q498 WeakPolarHBondContact OD1-CB 3.15Å; D496-Q498 PolarHBondContact OD1-N 3.04Å; D496-Q498 WeakPolarHBondContact OD2-CG 3.34Å; D496-Q498 PolarHBondContact OD2-NE2 3.17Å
499	R	94	Very high	93.2	Very high	134 Å²	134	53 Å²	53	51%	0.506	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	132.7	179.1	-51.7	-175.8	-167.2	167.1	5.4	109.6	M491 L492 R493	M491-R499 HydrophobicContact SD-CB 4.24Å; L492-R499 VanDerWaalsContact O-CA 3.27Å; L492-R499 WeakPolarHBondContact O-CA 3.44Å; R493-R499 HydrophobicContact CG-CG 4.32Å
500	E	94	Very high	93.2	Very high	3 Å²	3	46.4 Å²	46.4	1%	0.014	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.9	178.4	-178.9	176.3	-144.1	0	0	109.1	T474 L492 Y494 I502 H516 K520	T474-E500 WeakPolarHBondContact CB-OE1 3.43Å; T474-E500 PolarHBondContact OG1-OE1 3.11Å; L492-E500 HydrophobicContact CB-CB 4.49Å; L492-E500 PolarHBondContact N-O 3.12Å; L492-E500 PolarHBondContact O-N 2.8Å; L492-E500 VanDerWaalsContact O-N 3.1Å; Y494-E500 HydrophobicContact CE2-CB 3.8Å; Y494-E500 PolarHBondContact OH-OE2 2.7Å; E500-I502 HydrophobicContact CG-CG2 3.89Å; E500-H516 IonicContact OE1-CE1 2.72Å; E500-H516 IonicContact OE1-NE2 2.75Å; E500-H516 IonicContact OE2-CD2 2.68Å; E500-H516 IonicContact OE2-CE1 2.63Å; E500-H516 IonicContact OE2-NE2 3.88Å; E500-H516 PolarHBondContact OE2-NE2 3.35Å; E500-K520 VanDerWaalsContact OE1-CE 3.25Å; E500-K520 WeakPolarHBondContact OE1-CE 3.43Å; E500-K520 IonicContact OE1-NZ 3.72Å; E500-K520 PolarHBondContact OE1-NZ 3.38Å; E500-K520 WeakPolarHBondContact OE2-CE 3.3Å; E500-K520 IonicContact OE2-NZ 3.87Å; E500-K520 PolarHBondContact OE2-NZ 2.98Å
501	Q	94.8	Very high	93.1	Very high	63 Å²	63	48.7 Å²	48.7	29%	0.294	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	121.4	171	-171.3	169.6	-12.5	0	0	109.6	S472 T474 M491	S472-Q501 PolarHBondContact O-N 3.36Å; T474-Q501 PolarHBondContact N-O 3.48Å; M491-Q501 HydrophobicContact CE-CB 3.88Å; M491-Q501 HydrophobicContact CE-CG 4.13Å
502	I	94.3	Very high	92.9	Very high	3 Å²	3	48 Å²	48	2%	0.015	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	161.6	175.5	68	169.3	0	0	0	111.1	L490 L492 E500 L504 L513	L490-I502 HydrophobicContact CB-CD1 4.48Å; L490-I502 HydrophobicContact CB-CG1 3.88Å; L490-I502 HydrophobicContact CD1-CD1 4.43Å; L490-I502 PolarHBondContact N-O 3.36Å; L490-I502 PolarHBondContact O-N 3.1Å; L492-I502 HydrophobicContact CD1-CD1 3.9Å; L492-I502 HydrophobicContact CD1-CG1 4.25Å; L492-I502 HydrophobicContact CD1-CG2 4.42Å; L492-I502 HydrophobicContact CG-CD1 4.46Å; L492-I502 HydrophobicContact CG-CG1 4.4Å; E500-I502 HydrophobicContact CG-CG2 3.89Å; I502-L504 HydrophobicContact CD1-CD1 3.96Å; I502-L504 HydrophobicContact CD1-CG 4.2Å; I502-L513 HydrophobicContact CD1-CD1 4.08Å
503	S	93.4	Very high	92.8	Very high	40 Å²	40	48 Å²	48	28%	0.28	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	127.9	171.5	-162	0	0	0	0	111.2	K487 A488	K487-S503 WeakPolarHBondContact CB-OG 3.2Å; A488-S503 WeakPolarHBondContact O-CA 3.43Å; A488-S503 PolarHBondContact O-OG 2.93Å; A488-S503 VanDerWaalsContact O-OG 3.08Å
504	L	92.5	Very high	92.7	Very high	14 Å²	14	44.7 Å²	44.7	7%	0.073	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	154.4	-177.3	-63	175.2	0	0	0	109.1	K487 A488 L490 I502 L513 L547	K487-L504 CarbonylContact C-O 3.56Å; K487-L504 WeakPolarHBondContact CA-O 3.41Å; K487-L504 WeakPolarHBondContact CB-O 3.46Å; A488-L504 PolarHBondContact N-O 3.29Å; A488-L504 PolarHBondContact O-N 2.91Å; A488-L504 VanDerWaalsContact O-N 3.09Å; L490-L504 HydrophobicContact CD1-CD1 4.26Å; I502-L504 HydrophobicContact CD1-CD1 3.96Å; I502-L504 HydrophobicContact CD1-CG 4.2Å; L504-L513 HydrophobicContact CD1-CB 4.39Å; L504-L547 HydrophobicContact CB-CD1 3.56Å; L504-L547 HydrophobicContact CD1-CD1 3.72Å; L504-L547 HydrophobicContact CG-CD1 4.28Å
505	S	93	Very high	92.7	Very high	21 Å²	21	50.9 Å²	50.9	15%	0.147	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	142.8	172.2	173.2	0	0	0	0	110.5	D483 K507 A508	D483-S505 PolarHBondContact OD2-OG 3.48Å; D483-S505 VanDerWaalsContact OD2-OG 3.11Å; S505-K507 PolarHBondContact O-N 3.29Å; S505-K507 VanDerWaalsContact O-N 3.16Å; S505-K507 PolarHBondContact OG-N 3.43Å; S505-A508 VanDerWaalsContact O-CB 3.23Å; S505-A508 WeakPolarHBondContact O-CB 3.26Å; S505-A508 PolarHBondContact O-N 3.34Å
506	S	89.9	Confident	92.8	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.028	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.5	176.6	76.2	0	0	0	0	112.7	P486 L547 Q548	P486-S506 WeakPolarHBondContact O-CB 3.25Å; P486-S506 PolarHBondContact O-N 3.46Å; P486-S506 PolarHBondContact O-OG 2.92Å; S506-L547 PolarHBondContact O-N 2.91Å; S506-Q548 PolarHBondContact O-N 3.09Å; S506-Q548 VanDerWaalsContact O-N 3.1Å; S506-Q548 PolarHBondContact OG-OE1 3.34Å
507	K	90.5	Very high	93	Very high	119 Å²	119	44.7 Å²	44.7	52%	0.517	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-8.8	176.7	-53.6	173.1	-164.7	146.2	0	113.5	D483 S505	D483-K507 IonicContact OD1-NZ 3.95Å; D483-K507 PolarHBondContact OD1-NZ 2.96Å; D483-K507 WeakPolarHBondContact OD2-CD 3.4Å; D483-K507 WeakPolarHBondContact OD2-CE 3.25Å; D483-K507 IonicContact OD2-NZ 2.92Å; D483-K507 PolarHBondContact OD2-NZ 3.17Å; S505-K507 PolarHBondContact O-N 3.29Å; S505-K507 VanDerWaalsContact O-N 3.16Å; S505-K507 PolarHBondContact OG-N 3.43Å
508	A	92.8	Very high	93.3	Very high	19 Å²	19	45.5 Å²	45.5	16%	0.157	22%	0.215	C	C	.	.	S	Bend	trans	-64.4	145.7	176.5	0	0	0	0	0	109.9	S505 T546 L547	S505-A508 VanDerWaalsContact O-CB 3.23Å; S505-A508 WeakPolarHBondContact O-CB 3.26Å; S505-A508 PolarHBondContact O-N 3.34Å; A508-T546 CarbonylContact O-C 3.5Å; A508-T546 VanDerWaalsContact O-CA 3.31Å; A508-T546 WeakPolarHBondContact O-CA 3.43Å; A508-L547 HydrophobicContact CB-CD1 4.16Å; A508-L547 WeakPolarHBondContact O-CG 3.32Å; A508-L547 PolarHBondContact O-N 3.06Å
509	K	94.6	Very high	93.3	Very high	94 Å²	94	44.4 Å²	44.4	41%	0.409	22%	0.22	S	C	.	.	B	Isolated β-bridge	trans	-70	149.6	178.1	-72.5	-175.9	157.7	-170.9	0	111.6	L511 A512 D544 I545	K509-L511 HydrophobicContact CB-CB 4.37Å; K509-L511 PolarHBondContact O-N 3.27Å; K509-L511 VanDerWaalsContact O-N 3.16Å; K509-A512 VanDerWaalsContact O-CB 3.29Å; K509-A512 WeakPolarHBondContact O-CB 3.46Å; K509-A512 PolarHBondContact O-N 2.94Å; K509-D544 HydrophobicContact CD-CB 4.48Å; K509-D544 WeakPolarHBondContact CD-OD1 3.39Å; K509-D544 VanDerWaalsContact CE-O 3.24Å; K509-D544 WeakPolarHBondContact CE-O 3.49Å; K509-D544 WeakPolarHBondContact CE-OD1 3.49Å; K509-D544 IonicContact NZ-OD1 2.75Å; K509-D544 PolarHBondContact NZ-OD1 2.89Å; K509-D544 IonicContact NZ-OD2 3.51Å; K509-D544 PolarHBondContact NZ-OD2 3.22Å; K509-I545 CarbonylContact C-O 3.38Å; K509-I545 VanDerWaalsContact CA-O 3.32Å; K509-I545 WeakPolarHBondContact CA-O 3.31Å
510	L	93.8	Very high	93.2	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-55	-32	172.7	-179.8	61.3	0	0	0	111.7	A512 L513 V514 L538 L541 Y543 I545 L547 A550 L552	L510-A512 PolarHBondContact O-N 3.42Å; L510-L513 HydrophobicContact CD1-CD2 4.12Å; L510-L513 WeakPolarHBondContact O-CB 3.45Å; L510-L513 PolarHBondContact O-N 2.99Å; L510-L513 VanDerWaalsContact O-N 3.14Å; L510-V514 PolarHBondContact O-N 2.88Å; L510-L538 HydrophobicContact CD1-CD1 4.43Å; L510-L541 HydrophobicContact CD2-CB 3.78Å; L510-L541 HydrophobicContact CD2-CD1 4.19Å; L510-Y543 HydrophobicContact CD2-CD1 4.49Å; L510-Y543 PolarHBondContact N-O 2.94Å; L510-I545 HydrophobicContact CB-CG1 4.26Å; L510-I545 HydrophobicContact CD2-CD1 4.45Å; L510-I545 HydrophobicContact CD2-CG1 4.44Å; L510-I545 PolarHBondContact N-O 3.39Å; L510-L547 HydrophobicContact CD1-CD2 4.25Å; L510-A550 HydrophobicContact CD1-CB 4.43Å; L510-L552 HydrophobicContact CD1-CD1 3.82Å
511	L	92.7	Very high	93.1	Very high	48 Å²	48	44.5 Å²	44.5	25%	0.251	24%	0.239	S	C	.	.	H	α-helix	trans	-55	-31	171.7	-169.8	58.3	0	0	0	114.1	K509 V514 R515 Y543	K509-L511 HydrophobicContact CB-CB 4.37Å; K509-L511 PolarHBondContact O-N 3.27Å; K509-L511 VanDerWaalsContact O-N 3.16Å; L511-V514 PolarHBondContact O-N 2.97Å; L511-R515 VanDerWaalsContact O-CG 3.32Å; L511-R515 WeakPolarHBondContact O-CG 3.46Å; L511-R515 PolarHBondContact O-N 3.46Å; L511-Y543 WeakPolarHBondContact CB-O 3.39Å; L511-Y543 HydrophobicContact CD1-CG 4.48Å; L511-Y543 PolarHBondContact N-O 3.43Å
512	A	93.2	Very high	93	Very high	25 Å²	25	43.1 Å²	43.1	21%	0.207	23%	0.231	C	C	.	.	H	α-helix	trans	-67.9	-39.3	177.9	0	0	0	0	0	111.8	K509 L510 R515 H516	K509-A512 VanDerWaalsContact O-CB 3.29Å; K509-A512 WeakPolarHBondContact O-CB 3.46Å; K509-A512 PolarHBondContact O-N 2.94Å; L510-A512 PolarHBondContact O-N 3.42Å; A512-R515 PolarHBondContact O-N 2.75Å; A512-H516 PolarHBondContact O-N 2.78Å
513	L	93.9	Very high	92.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.6	-42	172.6	172.7	61.4	0	0	0	111.4	L490 L492 I502 L504 L510 H516 V517 L529 L538 L547 L552 V558	L490-L513 HydrophobicContact CD1-CD1 3.78Å; L490-L513 HydrophobicContact CD1-CD2 3.92Å; L490-L513 HydrophobicContact CD1-CG 4.34Å; L492-L513 HydrophobicContact CD1-CD1 4.48Å; L492-L513 HydrophobicContact CD2-CD1 3.83Å; I502-L513 HydrophobicContact CD1-CD1 4.08Å; L504-L513 HydrophobicContact CD1-CB 4.39Å; L510-L513 HydrophobicContact CD1-CD2 4.12Å; L510-L513 WeakPolarHBondContact O-CB 3.45Å; L510-L513 PolarHBondContact O-N 2.99Å; L510-L513 VanDerWaalsContact O-N 3.14Å; L513-H516 PolarHBondContact O-N 2.89Å; L513-V517 HydrophobicContact CD1-CG2 4.43Å; L513-V517 PolarHBondContact O-N 3.36Å; L513-L529 HydrophobicContact CD2-CD1 4.3Å; L513-L529 HydrophobicContact CG-CD1 4.12Å; L513-L538 HydrophobicContact CD2-CD1 4.45Å; L513-L547 HydrophobicContact CB-CD2 4.12Å; L513-L547 HydrophobicContact CD2-CD2 4.28Å; L513-L552 HydrophobicContact CD2-CD1 3.83Å; L513-V558 HydrophobicContact CD2-CG2 4.41Å
514	V	93.8	Very high	92.8	Very high	9 Å²	9	45.2 Å²	45.2	6%	0.055	24%	0.243	C	C	.	.	H	α-helix	trans	-61.1	-45.1	175.7	178.2	0	0	0	0	110.8	L510 L511 H516 V517 Q518 N524 L529 Y543	L510-V514 PolarHBondContact O-N 2.88Å; L511-V514 PolarHBondContact O-N 2.97Å; V514-H516 PolarHBondContact O-N 3.22Å; V514-V517 PolarHBondContact O-N 2.84Å; V514-Q518 HydrophobicContact CG1-CG 4.38Å; V514-Q518 WeakPolarHBondContact O-CG 3.34Å; V514-Q518 PolarHBondContact O-N 3.39Å; V514-N524 HydrophobicContact CG1-CB 3.93Å; V514-L529 HydrophobicContact CG2-CD1 3.99Å; V514-Y543 HydrophobicContact CG2-CD1 3.89Å; V514-Y543 HydrophobicContact CG2-CE1 3.88Å
515	R	94.1	Very high	92.6	Very high	150 Å²	150	51.1 Å²	51.1	57%	0.566	27%	0.27	S	S	*	.	H	α-helix	trans	-62.5	-37.5	176.3	-73.1	174.2	-176.9	-179	2.2	113.3	L511 A512 S519	L511-R515 VanDerWaalsContact O-CG 3.32Å; L511-R515 WeakPolarHBondContact O-CG 3.46Å; L511-R515 PolarHBondContact O-N 3.46Å; A512-R515 PolarHBondContact O-N 2.75Å; R515-S519 PolarHBondContact O-N 2.92Å
516	H	93.7	Very high	92.5	Very high	17 Å²	17	56.8 Å²	56.8	8%	0.079	29%	0.288	C	S	.	.	H	α-helix	trans	-62.9	-44.4	173.2	-177.2	93.9	0	0	0	111.5	C476 E500 A512 L513 V514 S519 K520	C476-H516 PolarHBondContact SG-ND1 3.31Å; C476-H516 VanDerWaalsContact SG-ND1 3.42Å; E500-H516 IonicContact OE1-CE1 2.72Å; E500-H516 IonicContact OE1-NE2 2.75Å; E500-H516 IonicContact OE2-CD2 2.68Å; E500-H516 IonicContact OE2-CE1 2.63Å; E500-H516 IonicContact OE2-NE2 3.88Å; E500-H516 PolarHBondContact OE2-NE2 3.35Å; A512-H516 PolarHBondContact O-N 2.78Å; L513-H516 PolarHBondContact O-N 2.89Å; V514-H516 PolarHBondContact O-N 3.22Å; H516-S519 PolarHBondContact O-N 3.39Å; H516-S519 PolarHBondContact O-OG 2.93Å; H516-K520 WeakPolarHBondContact NE2-CE 3.48Å; H516-K520 WeakPolarHBondContact O-CG 3.35Å; H516-K520 PolarHBondContact O-N 3.48Å
517	V	94.1	Very high	92.7	Very high	4 Å²	4	57.6 Å²	57.6	2%	0.024	29%	0.291	C	S	.	.	H	α-helix	trans	-70	-36.4	179.1	174.1	0	0	0	0	111.9	L492 Y494 L513 V514 S519 K520 Y522 L529 V560	L492-V517 HydrophobicContact CD1-CG2 4.08Å; Y494-V517 HydrophobicContact CE1-CG1 4.44Å; L513-V517 HydrophobicContact CD1-CG2 4.43Å; L513-V517 PolarHBondContact O-N 3.36Å; V514-V517 PolarHBondContact O-N 2.84Å; V517-S519 PolarHBondContact O-N 3.19Å; V517-K520 PolarHBondContact O-N 2.9Å; V517-Y522 HydrophobicContact CG1-CG 4.46Å; V517-Y522 PolarHBondContact O-N 3.36Å; V517-L529 HydrophobicContact CB-CD2 4.26Å; V517-L529 HydrophobicContact CG1-CD2 3.97Å; V517-L529 HydrophobicContact CG2-CD2 3.98Å; V517-V560 HydrophobicContact CG1-CG1 3.98Å; V517-V560 HydrophobicContact CG1-CG2 3.75Å; V517-V560 HydrophobicContact CG2-CG2 4.24Å
518	Q	93.7	Very high	92.9	Very high	72 Å²	72	52.5 Å²	52.5	34%	0.336	27%	0.269	S	S	.	.	H	α-helix	trans	-58	-44.8	170.6	-74.9	171.1	-26.9	0	0	112	V514 K520 G521 N524	V514-Q518 HydrophobicContact CG1-CG 4.38Å; V514-Q518 WeakPolarHBondContact O-CG 3.34Å; V514-Q518 PolarHBondContact O-N 3.39Å; Q518-K520 PolarHBondContact O-N 3.45Å; Q518-G521 PolarHBondContact O-N 3.01Å; Q518-N524 PolarHBondContact NE2-OD1 2.85Å
519	S	93.4	Very high	93	Very high	93 Å²	93	52.3 Å²	52.3	65%	0.65	27%	0.265	S	S	*	.	H	α-helix	trans	-67	-17.7	-179.3	78.9	0	0	0	0	113.7	R515 H516 V517 G521	R515-S519 PolarHBondContact O-N 2.92Å; H516-S519 PolarHBondContact O-N 3.39Å; H516-S519 PolarHBondContact O-OG 2.93Å; V517-S519 PolarHBondContact O-N 3.19Å; S519-G521 VanDerWaalsContact C-N 3.3Å
520	K	91.6	Very high	93	Very high	83 Å²	83	48 Å²	48	36%	0.361	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	6.5	173	-60.8	-72.7	-177.4	163.8	0	113.7	Y494 E500 H516 V517 Q518 Y522	Y494-K520 HydrophobicContact CE1-CB 4.28Å; E500-K520 VanDerWaalsContact OE1-CE 3.25Å; E500-K520 WeakPolarHBondContact OE1-CE 3.43Å; E500-K520 IonicContact OE1-NZ 3.72Å; E500-K520 PolarHBondContact OE1-NZ 3.38Å; E500-K520 WeakPolarHBondContact OE2-CE 3.3Å; E500-K520 IonicContact OE2-NZ 3.87Å; E500-K520 PolarHBondContact OE2-NZ 2.98Å; H516-K520 WeakPolarHBondContact NE2-CE 3.48Å; H516-K520 WeakPolarHBondContact O-CG 3.35Å; H516-K520 PolarHBondContact O-N 3.48Å; V517-K520 PolarHBondContact O-N 2.9Å; Q518-K520 PolarHBondContact O-N 3.45Å; K520-Y522 HydrophobicContact CB-CD2 4.08Å; K520-Y522 HydrophobicContact CB-CE2 4.45Å; K520-Y522 WeakPolarHBondContact O-CD2 3.47Å; K520-Y522 WeakPolarHBondContact O-CE2 3.23Å
521	G	91.8	Very high	92.9	Very high	55 Å²	55	48.2 Å²	48.2	57%	0.567	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	92	11.9	177.4	0	0	0	0	0	114.9	Q518 S519 P523	Q518-G521 PolarHBondContact O-N 3.01Å; S519-G521 VanDerWaalsContact C-N 3.3Å; G521-P523 VanDerWaalsContact C-CD 3.43Å; G521-P523 WeakPolarHBondContact O-CD 3.43Å
522	Y	93.3	Very high	92.4	Very high	34 Å²	34	51.1 Å²	51.1	13%	0.133	26%	0.264	C	S	.	.			trans	-111.5	79.2	-178.4	-61.4	-73.7	0	0	0	111.3	Y494 P495 D496 V517 K520 F527 V560	Y494-Y522 AromaticContact CD1-CD2 3.47Å; Y494-Y522 HydrophobicContact CD1-CD2 3.47Å; Y494-Y522 VanDerWaalsContact CD1-CD2 3.47Å; Y494-Y522 AromaticContact CD1-CE2 3.33Å; Y494-Y522 HydrophobicContact CD1-CE2 3.33Å; Y494-Y522 HydrophobicContact CD1-CG 4.34Å; Y494-Y522 AromaticContact CE1-CD2 3.8Å; Y494-Y522 HydrophobicContact CE1-CD2 3.8Å; Y494-Y522 AromaticContact CE1-CE2 3.97Å; Y494-Y522 HydrophobicContact CE1-CE2 3.97Å; Y494-Y522 HydrophobicContact CG-CD2 4.37Å; Y494-Y522 AromaticContact CG-CE2 3.78Å; Y494-Y522 HydrophobicContact CG-CE2 3.78Å; P495-Y522 VanDerWaalsContact CD-CE1 3.43Å; P495-Y522 HydrophobicContact CG-CD1 4.17Å; P495-Y522 HydrophobicContact CG-CE1 3.79Å; D496-Y522 PolarHBondContact OD2-OH 3.21Å; V517-Y522 HydrophobicContact CG1-CG 4.46Å; V517-Y522 PolarHBondContact O-N 3.36Å; K520-Y522 HydrophobicContact CB-CD2 4.08Å; K520-Y522 HydrophobicContact CB-CE2 4.45Å; K520-Y522 WeakPolarHBondContact O-CD2 3.47Å; K520-Y522 WeakPolarHBondContact O-CE2 3.23Å; Y522-F527 HydrophobicContact CD1-CD1 4.09Å; Y522-F527 AromaticContact CD1-CD2 3.92Å; Y522-F527 HydrophobicContact CD1-CD2 3.92Å; Y522-F527 AromaticContact CD1-CE1 3.98Å; Y522-F527 HydrophobicContact CD1-CE1 3.98Å; Y522-F527 AromaticContact CD1-CE2 3.77Å; Y522-F527 HydrophobicContact CD1-CE2 3.77Å; Y522-F527 HydrophobicContact CD1-CG 4.09Å; Y522-F527 AromaticContact CD1-CZ 3.81Å; Y522-F527 HydrophobicContact CD1-CZ 3.81Å; Y522-F527 HydrophobicContact CE1-CE1 4.42Å; Y522-F527 HydrophobicContact CE1-CZ 4.29Å; Y522-F527 HydrophobicContact CG-CD2 4.45Å; Y522-V560 HydrophobicContact CD1-CG1 4.15Å; Y522-V560 HydrophobicContact CG-CG1 3.97Å
523	P	92.1	Very high	91.4	Very high	51 Å²	51	56.7 Å²	56.7	33%	0.331	28%	0.284	S	S	.	.			trans	-60.3	136.9	179.1	23	-33.1	0	0	0	112	G521 E525 R526 F527	G521-P523 VanDerWaalsContact C-CD 3.43Å; G521-P523 WeakPolarHBondContact O-CD 3.43Å; P523-E525 VanDerWaalsContact CB-OE2 3.26Å; P523-E525 WeakPolarHBondContact CB-OE2 3.15Å; P523-E525 PolarHBondContact O-N 3.09Å; P523-R526 HydrophobicContact CG-CB 4.33Å; P523-R526 PolarHBondContact O-N 3.34Å; P523-R526 VanDerWaalsContact O-N 3.1Å; P523-F527 HydrophobicContact CG-CD2 4.39Å; P523-F527 PolarHBondContact O-N 3.42Å
524	N	89.6	Confident	90.9	Very high	37 Å²	37	60.4 Å²	60.4	20%	0.198	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-8.8	-176.3	66.9	-55	0	0	0	113.1	V514 Q518 F527 R563	V514-N524 HydrophobicContact CG1-CB 3.93Å; Q518-N524 PolarHBondContact NE2-OD1 2.85Å; N524-F527 CarbonylContact C-O 3.6Å; N524-F527 WeakPolarHBondContact CA-O 3.25Å; N524-F527 VanDerWaalsContact O-O 3.05Å; N524-R563 PolarHBondContact O-NE 3.09Å; N524-R563 PolarHBondContact O-NH2 2.81Å
525	E	89.7	Confident	90.6	Very high	137 Å²	137	68 Å²	68	64%	0.64	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-35.1	169	-62.5	76.6	-171.9	0	0	111.8	P523 R563	P523-E525 VanDerWaalsContact CB-OE2 3.26Å; P523-E525 WeakPolarHBondContact CB-OE2 3.15Å; P523-E525 PolarHBondContact O-N 3.09Å; E525-R563 WeakPolarHBondContact O-CD 3.42Å
526	R	90.9	Very high	90.5	Very high	140 Å²	140	65 Å²	65	53%	0.528	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-33	-177.2	-176.5	174	179.5	-168.2	-5.2	112.9	P523 E562 R563	P523-R526 HydrophobicContact CG-CB 4.33Å; P523-R526 PolarHBondContact O-N 3.34Å; P523-R526 VanDerWaalsContact O-N 3.1Å; R526-E562 HydrophobicContact CG-CG 4.35Å; R526-E562 IonicContact CZ-OE1 2.76Å; R526-E562 IonicContact NE-OE1 2.84Å; R526-E562 PolarHBondContact NE-OE1 2.75Å; R526-E562 IonicContact NH2-OE1 3.73Å; R526-E562 PolarHBondContact NH2-OE1 2.94Å; R526-E562 IonicContact NH2-OE2 3.87Å; R526-R563 WeakPolarHBondContact O-CB 3.17Å; R526-R563 WeakPolarHBondContact O-CG 3.46Å; R526-R563 PolarHBondContact O-N 3.13Å
527	F	93.9	Very high	90.4	Very high	21 Å²	21	67.9 Å²	67.9	9%	0.092	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	154.9	-178	-60.9	-82.7	0	0	0	111.4	P495 Y522 P523 N524 V560 Q561 E562 R563	P495-F527 HydrophobicContact CG-CD1 4.03Å; P495-F527 HydrophobicContact CG-CE1 3.8Å; Y522-F527 HydrophobicContact CD1-CD1 4.09Å; Y522-F527 AromaticContact CD1-CD2 3.92Å; Y522-F527 HydrophobicContact CD1-CD2 3.92Å; Y522-F527 AromaticContact CD1-CE1 3.98Å; Y522-F527 HydrophobicContact CD1-CE1 3.98Å; Y522-F527 AromaticContact CD1-CE2 3.77Å; Y522-F527 HydrophobicContact CD1-CE2 3.77Å; Y522-F527 HydrophobicContact CD1-CG 4.09Å; Y522-F527 AromaticContact CD1-CZ 3.81Å; Y522-F527 HydrophobicContact CD1-CZ 3.81Å; Y522-F527 HydrophobicContact CE1-CE1 4.42Å; Y522-F527 HydrophobicContact CE1-CZ 4.29Å; Y522-F527 HydrophobicContact CG-CD2 4.45Å; P523-F527 HydrophobicContact CG-CD2 4.39Å; P523-F527 PolarHBondContact O-N 3.42Å; N524-F527 CarbonylContact C-O 3.6Å; N524-F527 WeakPolarHBondContact CA-O 3.25Å; N524-F527 VanDerWaalsContact O-O 3.05Å; F527-V560 HydrophobicContact CB-CG1 3.9Å; F527-V560 HydrophobicContact CD1-CG1 4.27Å; F527-V560 HydrophobicContact CG-CG1 4.23Å; F527-Q561 CarbonylContact C-O 3.44Å; F527-Q561 VanDerWaalsContact CA-O 3.28Å; F527-Q561 WeakPolarHBondContact CA-O 3.38Å; F527-E562 HydrophobicContact CD1-CB 4.14Å; F527-E562 HydrophobicContact CE1-CB 4.01Å; F527-E562 HydrophobicContact CE1-CG 4.36Å; F527-R563 PolarHBondContact O-NE 3.36Å
528	E	93.9	Very high	90.2	Very high	12 Å²	12	67.8 Å²	67.8	6%	0.056	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	149.6	171.1	62.4	174.4	175.4	0	0	111.5	V530 K537 A539 Q561 R563	E528-V530 HydrophobicContact CG-CG2 3.98Å; E528-K537 WeakPolarHBondContact OE1-CE 3.3Å; E528-K537 IonicContact OE1-NZ 2.75Å; E528-K537 PolarHBondContact OE1-NZ 2.75Å; E528-K537 VanDerWaalsContact OE2-CD 3.24Å; E528-K537 WeakPolarHBondContact OE2-CD 3.49Å; E528-K537 WeakPolarHBondContact OE2-CE 3.44Å; E528-K537 IonicContact OE2-NZ 3.86Å; E528-K537 PolarHBondContact OE2-NZ 3.31Å; E528-A539 HydrophobicContact CB-CB 4.49Å; E528-Q561 HydrophobicContact CG-CG 3.68Å; E528-Q561 PolarHBondContact N-O 2.93Å; E528-Q561 PolarHBondContact O-N 3.46Å; E528-Q561 PolarHBondContact OE1-NE2 2.89Å; E528-R563 HydrophobicContact CB-CG 4Å; E528-R563 HydrophobicContact CG-CG 4.13Å
529	L	94.6	Very high	89.7	Confident	16 Å²	16	65.8 Å²	65.8	8%	0.084	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	127.1	178.7	-58.3	-178	0	0	0	109.6	L513 V514 V517 L538 V558 F559 V560	L513-L529 HydrophobicContact CD2-CD1 4.3Å; L513-L529 HydrophobicContact CG-CD1 4.12Å; V514-L529 HydrophobicContact CG2-CD1 3.99Å; V517-L529 HydrophobicContact CB-CD2 4.26Å; V517-L529 HydrophobicContact CG1-CD2 3.97Å; V517-L529 HydrophobicContact CG2-CD2 3.98Å; L529-L538 HydrophobicContact CB-CB 4.09Å; L529-L538 HydrophobicContact CB-CD1 3.99Å; L529-L538 HydrophobicContact CB-CG 4.37Å; L529-L538 PolarHBondContact O-N 3.44Å; L529-V558 HydrophobicContact CB-CG1 3.82Å; L529-V558 HydrophobicContact CD2-CG1 4.12Å; L529-V558 HydrophobicContact CG-CG1 4.41Å; L529-F559 WeakPolarHBondContact CA-O 3.48Å; L529-V560 HydrophobicContact CD2-CB 4.47Å; L529-V560 HydrophobicContact CD2-CG2 3.77Å
530	V	94.5	Very high	89.3	Confident	2 Å²	2	68.5 Å²	68.5	1%	0.012	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	128.7	-173.7	-169	0	0	0	0	110.9	E528 R535 R536 K537 F559 Q561	E528-V530 HydrophobicContact CG-CG2 3.98Å; V530-R535 HydrophobicContact CG1-CG 3.65Å; V530-R536 WeakPolarHBondContact CA-O 3.38Å; V530-K537 HydrophobicContact CG2-CG 4.12Å; V530-F559 PolarHBondContact N-O 3.47Å; V530-F559 WeakPolarHBondContact O-CB 3.48Å; V530-F559 PolarHBondContact O-N 3.29Å; V530-Q561 HydrophobicContact CG2-CG 3.81Å
531	T	93.4	Very high	89.1	Confident	7 Å²	7	66.6 Å²	66.6	4%	0.043	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	159.8	171	57.3	0	0	0	0	110.9	P534 R535 R536 L538 L552 E556	T531-P534 PolarHBondContact OG1-O 3.3Å; T531-R535 WeakPolarHBondContact O-CA 3.36Å; T531-R535 WeakPolarHBondContact O-CG 3.39Å; T531-R536 PolarHBondContact N-O 3.11Å; T531-R536 WeakPolarHBondContact OG1-CB 3.45Å; T531-R536 PolarHBondContact OG1-N 3.26Å; T531-R536 PolarHBondContact OG1-O 3.19Å; T531-L538 HydrophobicContact CG2-CD1 4.46Å; T531-L538 HydrophobicContact CG2-CD2 4.15Å; T531-L538 HydrophobicContact CG2-CG 4.49Å; T531-L552 HydrophobicContact CG2-CD2 3.75Å; T531-E556 HydrophobicContact CG2-CG 3.9Å
532	N	82.1	Confident	88.9	Confident	109 Å²	109	69.1 Å²	69.1	58%	0.583	33%	0.328	S	S	*	.	S	Bend	trans	-82.3	-51.6	-179	-166	27.8	0	0	0	113.2	R535 F559	N532-R535 WeakPolarHBondContact O-CA 3.41Å; N532-R535 WeakPolarHBondContact O-CB 3.28Å; N532-R535 PolarHBondContact O-N 3.23Å; N532-F559 HydrophobicContact CB-CE2 3.87Å
533	F	71.8	Confident	88.8	Confident	142 Å²	142	70.7 Å²	70.7	62%	0.623	33%	0.334	S	S	*	.	S	Bend	trans	-146.6	121.8	-175.5	-172.6	-91.9	0	0	0	112
534	P	82	Confident	88.8	Confident	77 Å²	77	72.4 Å²	72.4	50%	0.5	34%	0.34	S	S	.	.	S	Bend	cis	-59.4	142.2	-14.7	27.3	-34.8	0	0	0	110.6	T531 R536	T531-P534 PolarHBondContact OG1-O 3.3Å; P534-R536 HydrophobicContact CG-CG 4.42Å; P534-R536 PolarHBondContact O-N 2.98Å
535	R	88.5	Confident	89	Confident	168 Å²	168	72.7 Å²	72.7	63%	0.634	34%	0.341	S	S	*	.			trans	-71.6	100.2	-176.7	-167.7	-173.6	-176.5	-151.4	2.2	110.6	V530 T531 N532	V530-R535 HydrophobicContact CG1-CG 3.65Å; T531-R535 WeakPolarHBondContact O-CA 3.36Å; T531-R535 WeakPolarHBondContact O-CG 3.39Å; N532-R535 WeakPolarHBondContact O-CA 3.41Å; N532-R535 WeakPolarHBondContact O-CB 3.28Å; N532-R535 PolarHBondContact O-N 3.23Å
536	R	92.3	Very high	89.2	Confident	87 Å²	87	67.7 Å²	67.7	33%	0.328	32%	0.32	S	S	.	.			trans	-116.5	124.2	-177.6	-67	166	66.8	-144.1	0.9	109.9	V530 T531 P534 L538 A550	V530-R536 WeakPolarHBondContact CA-O 3.38Å; T531-R536 PolarHBondContact N-O 3.11Å; T531-R536 WeakPolarHBondContact OG1-CB 3.45Å; T531-R536 PolarHBondContact OG1-N 3.26Å; T531-R536 PolarHBondContact OG1-O 3.19Å; P534-R536 HydrophobicContact CG-CG 4.42Å; P534-R536 PolarHBondContact O-N 2.98Å; R536-L538 PolarHBondContact O-N 3.14Å; R536-A550 PolarHBondContact NH1-O 2.7Å; R536-A550 PolarHBondContact NH2-O 2.64Å; R536-A550 VanDerWaalsContact NH2-O 3.15Å
537	K	91.9	Very high	89.3	Confident	78 Å²	78	61 Å²	61	34%	0.339	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-71.8	109.7	165.6	-72.1	179.5	166.7	-131.7	0	108.1	E528 V530 A539 H540	E528-K537 WeakPolarHBondContact OE1-CE 3.3Å; E528-K537 IonicContact OE1-NZ 2.75Å; E528-K537 PolarHBondContact OE1-NZ 2.75Å; E528-K537 VanDerWaalsContact OE2-CD 3.24Å; E528-K537 WeakPolarHBondContact OE2-CD 3.49Å; E528-K537 WeakPolarHBondContact OE2-CE 3.44Å; E528-K537 IonicContact OE2-NZ 3.86Å; E528-K537 PolarHBondContact OE2-NZ 3.31Å; V530-K537 HydrophobicContact CG2-CG 4.12Å; K537-A539 PolarHBondContact O-N 3.42Å; K537-H540 PolarHBondContact O-N 3.08Å; K537-H540 VanDerWaalsContact O-N 3.13Å
538	L	89.5	Confident	89.1	Confident	3 Å²	3	65.6 Å²	65.6	2%	0.016	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-69.1	-16.4	179.7	-55.3	177.1	0	0	0	112.1	L510 L513 L529 T531 R536 H540 L541 L552 V558	L510-L538 HydrophobicContact CD1-CD1 4.43Å; L513-L538 HydrophobicContact CD2-CD1 4.45Å; L529-L538 HydrophobicContact CB-CB 4.09Å; L529-L538 HydrophobicContact CB-CD1 3.99Å; L529-L538 HydrophobicContact CB-CG 4.37Å; L529-L538 PolarHBondContact O-N 3.44Å; T531-L538 HydrophobicContact CG2-CD1 4.46Å; T531-L538 HydrophobicContact CG2-CD2 4.15Å; T531-L538 HydrophobicContact CG2-CG 4.49Å; R536-L538 PolarHBondContact O-N 3.14Å; L538-H540 PolarHBondContact O-N 3.39Å; L538-L541 HydrophobicContact CD2-CD1 3.71Å; L538-L541 WeakPolarHBondContact O-CB 3.33Å; L538-L541 PolarHBondContact O-N 3.15Å; L538-L541 VanDerWaalsContact O-N 3.1Å; L538-L552 HydrophobicContact CD1-CD1 3.94Å; L538-L552 HydrophobicContact CD1-CD2 4.06Å; L538-L552 HydrophobicContact CD2-CD2 4.14Å; L538-V558 HydrophobicContact CD1-CG1 4.03Å; L538-V558 HydrophobicContact CD1-CG2 4.26Å
539	A	83.7	Confident	89.1	Confident	30 Å²	30	71.4 Å²	71.4	25%	0.248	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-67.4	-8.6	170.4	0	0	0	0	0	114.4	E528 K537	E528-A539 HydrophobicContact CB-CB 4.49Å; K537-A539 PolarHBondContact O-N 3.42Å
540	H	84.6	Confident	88.9	Confident	149 Å²	149	70.7 Å²	70.7	69%	0.69	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-95	1.1	170.7	-59.7	166.1	0	0	0	113.2	K537 L538	K537-H540 PolarHBondContact O-N 3.08Å; K537-H540 VanDerWaalsContact O-N 3.13Å; L538-H540 PolarHBondContact O-N 3.39Å
541	L	87	Confident	88.7	Confident	43 Å²	43	72.5 Å²	72.5	23%	0.225	36%	0.359	C	S	.	.	S	Bend	trans	-98.5	150.5	175.1	-56.4	177.6	0	0	0	109.3	L510 L538 Y543 I545 A550	L510-L541 HydrophobicContact CD2-CB 3.78Å; L510-L541 HydrophobicContact CD2-CD1 4.19Å; L538-L541 HydrophobicContact CD2-CD1 3.71Å; L538-L541 WeakPolarHBondContact O-CB 3.33Å; L538-L541 PolarHBondContact O-N 3.15Å; L538-L541 VanDerWaalsContact O-N 3.1Å; L541-Y543 PolarHBondContact O-N 3.4Å; L541-I545 HydrophobicContact CB-CD1 3.97Å; L541-I545 HydrophobicContact CD1-CD1 4.14Å; L541-I545 HydrophobicContact CG-CD1 4.49Å; L541-A550 HydrophobicContact CD1-CB 4.24Å
542	D	88.4	Confident	88.6	Confident	108 Å²	108	72.1 Å²	72.1	58%	0.578	36%	0.357	S	S	*	.			trans	-63.9	132.5	168.3	-176.4	-9.4	0	0	0	109.3	D544 I545	D542-D544 PolarHBondContact O-N 3.01Å; D542-D544 PolarHBondContact OD1-N 3.46Å; D542-I545 HydrophobicContact CB-CG2 4.15Å; D542-I545 WeakPolarHBondContact O-CG1 3.43Å; D542-I545 PolarHBondContact O-N 2.88Å
543	Y	90.9	Very high	88.9	Confident	68 Å²	68	68.9 Å²	68.9	27%	0.267	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-16	-178.9	-60.2	-59.7	0	0	0	113.2	L510 L511 V514 L541	L510-Y543 HydrophobicContact CD2-CD1 4.49Å; L510-Y543 PolarHBondContact N-O 2.94Å; L511-Y543 WeakPolarHBondContact CB-O 3.39Å; L511-Y543 HydrophobicContact CD1-CG 4.48Å; L511-Y543 PolarHBondContact N-O 3.43Å; V514-Y543 HydrophobicContact CG2-CD1 3.89Å; V514-Y543 HydrophobicContact CG2-CE1 3.88Å; L541-Y543 PolarHBondContact O-N 3.4Å
544	D	91.3	Very high	89.8	Confident	87 Å²	87	67.1 Å²	67.1	47%	0.465	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-8	-179.9	-96	0.3	0	0	0	114.9	K509 D542	K509-D544 HydrophobicContact CD-CB 4.48Å; K509-D544 WeakPolarHBondContact CD-OD1 3.39Å; K509-D544 VanDerWaalsContact CE-O 3.24Å; K509-D544 WeakPolarHBondContact CE-O 3.49Å; K509-D544 WeakPolarHBondContact CE-OD1 3.49Å; K509-D544 IonicContact NZ-OD1 2.75Å; K509-D544 PolarHBondContact NZ-OD1 2.89Å; K509-D544 IonicContact NZ-OD2 3.51Å; K509-D544 PolarHBondContact NZ-OD2 3.22Å; D542-D544 PolarHBondContact O-N 3.01Å; D542-D544 PolarHBondContact OD1-N 3.46Å
545	I	93	Very high	90.3	Very high	42 Å²	42	69 Å²	69	22%	0.215	35%	0.347	C	S	.	.	S	Bend	trans	-71.1	156.7	172.3	76.8	-173.3	0	0	0	111.5	K509 L510 L541 D542 E549 A550	K509-I545 CarbonylContact C-O 3.38Å; K509-I545 VanDerWaalsContact CA-O 3.32Å; K509-I545 WeakPolarHBondContact CA-O 3.31Å; L510-I545 HydrophobicContact CB-CG1 4.26Å; L510-I545 HydrophobicContact CD2-CD1 4.45Å; L510-I545 HydrophobicContact CD2-CG1 4.44Å; L510-I545 PolarHBondContact N-O 3.39Å; L541-I545 HydrophobicContact CB-CD1 3.97Å; L541-I545 HydrophobicContact CD1-CD1 4.14Å; L541-I545 HydrophobicContact CG-CD1 4.49Å; D542-I545 HydrophobicContact CB-CG2 4.15Å; D542-I545 WeakPolarHBondContact O-CG1 3.43Å; D542-I545 PolarHBondContact O-N 2.88Å; I545-E549 HydrophobicContact CB-CB 4.23Å; I545-A550 HydrophobicContact CD1-CB 3.89Å; I545-A550 HydrophobicContact CG1-CB 4.21Å
546	T	94.6	Very high	90.6	Very high	33 Å²	33	63 Å²	63	20%	0.202	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-73	158	174.9	63.9	0	0	0	0	112.8	A508 Q548 E549 A550	A508-T546 CarbonylContact O-C 3.5Å; A508-T546 VanDerWaalsContact O-CA 3.31Å; A508-T546 WeakPolarHBondContact O-CA 3.43Å; T546-Q548 PolarHBondContact O-N 3.46Å; T546-E549 VanDerWaalsContact CB-OE2 3.3Å; T546-E549 WeakPolarHBondContact CB-OE2 3.24Å; T546-E549 WeakPolarHBondContact CG2-OE2 3.33Å; T546-E549 PolarHBondContact N-OE2 3.09Å; T546-E549 PolarHBondContact O-N 3.47Å; T546-E549 VanDerWaalsContact OG1-CD 3.25Å; T546-E549 VanDerWaalsContact OG1-CG 3.31Å; T546-E549 WeakPolarHBondContact OG1-CG 3.35Å; T546-E549 PolarHBondContact OG1-N 2.83Å; T546-E549 VanDerWaalsContact OG1-N 3.12Å; T546-E549 PolarHBondContact OG1-OE2 2.94Å; T546-A550 WeakPolarHBondContact O-CB 3.25Å; T546-A550 PolarHBondContact O-N 3.22Å
547	L	92.3	Very high	90.7	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-24.3	171.3	-66	175.7	0	0	0	112.6	A488 L490 L504 S506 A508 L510 L513 L552 C553	A488-L547 HydrophobicContact CB-CB 4.47Å; A488-L547 HydrophobicContact CB-CD1 4.17Å; L490-L547 HydrophobicContact CD1-CD1 4.44Å; L504-L547 HydrophobicContact CB-CD1 3.56Å; L504-L547 HydrophobicContact CD1-CD1 3.72Å; L504-L547 HydrophobicContact CG-CD1 4.28Å; S506-L547 PolarHBondContact O-N 2.91Å; A508-L547 HydrophobicContact CB-CD1 4.16Å; A508-L547 WeakPolarHBondContact O-CG 3.32Å; A508-L547 PolarHBondContact O-N 3.06Å; L510-L547 HydrophobicContact CD1-CD2 4.25Å; L513-L547 HydrophobicContact CB-CD2 4.12Å; L513-L547 HydrophobicContact CD2-CD2 4.28Å; L547-L552 HydrophobicContact CD2-CD1 3.79Å; L547-L552 WeakPolarHBondContact O-CB 3.45Å; L547-L552 PolarHBondContact O-N 3.07Å; L547-C553 VanDerWaalsContact C-SG 3.57Å
548	Q	91.7	Very high	90.9	Very high	116 Å²	116	57 Å²	57	54%	0.542	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-49.2	172.6	-172.3	167.2	-13.7	0	0	111.9	S506 T546 A550 G551	S506-Q548 PolarHBondContact O-N 3.09Å; S506-Q548 VanDerWaalsContact O-N 3.1Å; S506-Q548 PolarHBondContact OG-OE1 3.34Å; T546-Q548 PolarHBondContact O-N 3.46Å; Q548-A550 VanDerWaalsContact C-N 3.33Å; Q548-A550 PolarHBondContact O-N 2.71Å; Q548-G551 PolarHBondContact O-N 2.56Å
549	E	92.1	Very high	91.1	Very high	135 Å²	135	60.1 Å²	60.1	63%	0.631	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-31.7	177.2	-68.1	156.8	138.7	0	0	112.5	I545 T546 G551	I545-E549 HydrophobicContact CB-CB 4.23Å; T546-E549 VanDerWaalsContact CB-OE2 3.3Å; T546-E549 WeakPolarHBondContact CB-OE2 3.24Å; T546-E549 WeakPolarHBondContact CG2-OE2 3.33Å; T546-E549 PolarHBondContact N-OE2 3.09Å; T546-E549 PolarHBondContact O-N 3.47Å; T546-E549 VanDerWaalsContact OG1-CD 3.25Å; T546-E549 VanDerWaalsContact OG1-CG 3.31Å; T546-E549 WeakPolarHBondContact OG1-CG 3.35Å; T546-E549 PolarHBondContact OG1-N 2.83Å; T546-E549 VanDerWaalsContact OG1-N 3.12Å; T546-E549 PolarHBondContact OG1-OE2 2.94Å; E549-G551 PolarHBondContact O-N 3.18Å
550	A	90.6	Very high	91.7	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.4	169.7	0	0	0	0	0	112.5	L510 R536 L541 I545 T546 Q548 L552	L510-A550 HydrophobicContact CD1-CB 4.43Å; R536-A550 PolarHBondContact NH1-O 2.7Å; R536-A550 PolarHBondContact NH2-O 2.64Å; R536-A550 VanDerWaalsContact NH2-O 3.15Å; L541-A550 HydrophobicContact CD1-CB 4.24Å; I545-A550 HydrophobicContact CD1-CB 3.89Å; I545-A550 HydrophobicContact CG1-CB 4.21Å; T546-A550 WeakPolarHBondContact O-CB 3.25Å; T546-A550 PolarHBondContact O-N 3.22Å; Q548-A550 VanDerWaalsContact C-N 3.33Å; Q548-A550 PolarHBondContact O-N 2.71Å; A550-L552 HydrophobicContact CB-CD1 3.92Å; A550-L552 HydrophobicContact CB-CG 3.89Å
551	G	90.3	Very high	92.1	Very high	40 Å²	40	54.5 Å²	54.5	41%	0.412	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	32.8	-176	0	0	0	0	0	113.2	Q548 E549	Q548-G551 PolarHBondContact O-N 2.56Å; E549-G551 PolarHBondContact O-N 3.18Å
552	L	91.4	Very high	92.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.298	C	S	.	.			trans	-105.2	11.6	-179.4	-54.6	175.8	0	0	0	112.4	L490 L510 L513 T531 L538 L547 A550 E556 V558	L490-L552 HydrophobicContact CD2-CB 3.96Å; L490-L552 WeakPolarHBondContact CD2-O 3.35Å; L510-L552 HydrophobicContact CD1-CD1 3.82Å; L513-L552 HydrophobicContact CD2-CD1 3.83Å; T531-L552 HydrophobicContact CG2-CD2 3.75Å; L538-L552 HydrophobicContact CD1-CD1 3.94Å; L538-L552 HydrophobicContact CD1-CD2 4.06Å; L538-L552 HydrophobicContact CD2-CD2 4.14Å; L547-L552 HydrophobicContact CD2-CD1 3.79Å; L547-L552 WeakPolarHBondContact O-CB 3.45Å; L547-L552 PolarHBondContact O-N 3.07Å; A550-L552 HydrophobicContact CB-CD1 3.92Å; A550-L552 HydrophobicContact CB-CG 3.89Å; L552-E556 HydrophobicContact CB-CB 4.46Å; L552-E556 HydrophobicContact CD2-CB 4.28Å; L552-E556 HydrophobicContact CD2-CG 3.73Å; L552-V558 HydrophobicContact CD2-CG2 4.32Å
553	C	89.8	Confident	92.3	Very high	40 Å²	40	56.7 Å²	56.7	27%	0.27	29%	0.29	S	S	.	.			trans	-115.3	146.6	179.6	-63.6	0	0	0	0	110.5	L547	L547-C553 VanDerWaalsContact C-SG 3.57Å
554	P	90	Very high	91.3	Very high	105 Å²	105	64.1 Å²	64.1	68%	0.682	33%	0.334	S	S	*	.	S	Bend	cis	-83.1	-20	0	33.3	-35.5	0	0	0	113.7	R489	R489-P554 PolarHBondContact N-O 3.19Å
555	Q	92.9	Very high	91.3	Very high	117 Å²	117	63 Å²	63	55%	0.547	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	134.2	179.9	176	170.3	-22.2	0	0	110.1	R489	R489-Q555 HydrophobicContact CB-CB 4.11Å; R489-Q555 HydrophobicContact CB-CG 4.13Å; R489-Q555 VanDerWaalsContact O-CA 3.24Å; R489-Q555 WeakPolarHBondContact O-CA 3.41Å; R489-Q555 WeakPolarHBondContact O-CG 3.37Å
556	E	93.9	Very high	91.3	Very high	43 Å²	43	64.1 Å²	64.1	20%	0.201	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	159.3	-178.5	-175.7	43.2	-127	0	0	111.6	R489 L490 M491 T531 L552	R489-E556 PolarHBondContact O-N 3.29Å; R489-E556 VanDerWaalsContact O-N 3.13Å; L490-E556 HydrophobicContact CD2-CB 4.21Å; M491-E556 PolarHBondContact N-O 2.82Å; T531-E556 HydrophobicContact CG2-CG 3.9Å; L552-E556 HydrophobicContact CB-CB 4.46Å; L552-E556 HydrophobicContact CD2-CB 4.28Å; L552-E556 HydrophobicContact CD2-CG 3.73Å
557	T	94.8	Very high	91.1	Very high	39 Å²	39	65.8 Å²	65.8	24%	0.239	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	111.2	177	-57.6	0	0	0	0	110.7	M491 R493 F559	M491-T557 HydrophobicContact CB-CG2 4.29Å; M491-T557 HydrophobicContact CG-CG2 4.21Å; M491-T557 CarbonylContact O-C 3.59Å; M491-T557 WeakPolarHBondContact O-CA 3.28Å; R493-T557 HydrophobicContact CG-CG2 4.2Å; R493-T557 VanDerWaalsContact NE-CG2 3.31Å; T557-F559 HydrophobicContact CG2-CD2 4.16Å; T557-F559 HydrophobicContact CG2-CE2 3.52Å; T557-F559 HydrophobicContact CG2-CZ 4.09Å
558	V	95.4	Very high	91	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.9	-178	-175.5	0	0	0	0	109.8	M491 L492 R493 L513 L529 L538 L552	M491-V558 PolarHBondContact O-N 3.26Å; L492-V558 WeakPolarHBondContact CA-O 3.43Å; L492-V558 HydrophobicContact CD2-CB 4Å; R493-V558 PolarHBondContact N-O 3.12Å; L513-V558 HydrophobicContact CD2-CG2 4.41Å; L529-V558 HydrophobicContact CB-CG1 3.82Å; L529-V558 HydrophobicContact CD2-CG1 4.12Å; L529-V558 HydrophobicContact CG-CG1 4.41Å; L538-V558 HydrophobicContact CD1-CG1 4.03Å; L538-V558 HydrophobicContact CD1-CG2 4.26Å; L552-V558 HydrophobicContact CD2-CG2 4.32Å
559	F	95.3	Very high	91	Very high	68 Å²	68	66.8 Å²	66.8	30%	0.298	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127.3	176.2	-66.2	-111	0	0	0	108.6	R493 L529 V530 N532 T557	R493-F559 HydrophobicContact CB-CD1 4.1Å; R493-F559 HydrophobicContact CB-CE1 4.44Å; R493-F559 HydrophobicContact CB-CG 4.39Å; R493-F559 VanDerWaalsContact CD-CE1 3.4Å; R493-F559 VanDerWaalsContact CD-CZ 3.43Å; L529-F559 WeakPolarHBondContact CA-O 3.48Å; V530-F559 PolarHBondContact N-O 3.47Å; V530-F559 WeakPolarHBondContact O-CB 3.48Å; V530-F559 PolarHBondContact O-N 3.29Å; N532-F559 HydrophobicContact CB-CE2 3.87Å; T557-F559 HydrophobicContact CG2-CD2 4.16Å; T557-F559 HydrophobicContact CG2-CE2 3.52Å; T557-F559 HydrophobicContact CG2-CZ 4.09Å
560	V	95.3	Very high	90.9	Very high	6 Å²	6	62.2 Å²	62.2	4%	0.036	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	112.4	167.6	-173.7	0	0	0	0	106.2	R493 Y494 P495 V517 Y522 F527 L529	R493-V560 PolarHBondContact O-N 2.96Å; Y494-V560 HydrophobicContact CD1-CB 4.14Å; Y494-V560 HydrophobicContact CD1-CG2 3.7Å; Y494-V560 HydrophobicContact CE1-CG2 3.9Å; P495-V560 WeakPolarHBondContact CD-O 3.36Å; P495-V560 HydrophobicContact CG-CG1 4.47Å; P495-V560 WeakPolarHBondContact CG-O 3.36Å; V517-V560 HydrophobicContact CG1-CG1 3.98Å; V517-V560 HydrophobicContact CG1-CG2 3.75Å; V517-V560 HydrophobicContact CG2-CG2 4.24Å; Y522-V560 HydrophobicContact CD1-CG1 4.15Å; Y522-V560 HydrophobicContact CG-CG1 3.97Å; F527-V560 HydrophobicContact CB-CG1 3.9Å; F527-V560 HydrophobicContact CD1-CG1 4.27Å; F527-V560 HydrophobicContact CG-CG1 4.23Å; L529-V560 HydrophobicContact CD2-CB 4.47Å; L529-V560 HydrophobicContact CD2-CG2 3.77Å
561	Q	93.4	Very high	90.9	Very high	54 Å²	54	66.6 Å²	66.6	25%	0.252	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	152.9	176.9	62.6	174.9	52.6	0	0	110.1	F527 E528 V530	F527-Q561 CarbonylContact C-O 3.44Å; F527-Q561 VanDerWaalsContact CA-O 3.28Å; F527-Q561 WeakPolarHBondContact CA-O 3.38Å; E528-Q561 HydrophobicContact CG-CG 3.68Å; E528-Q561 PolarHBondContact N-O 2.93Å; E528-Q561 PolarHBondContact O-N 3.46Å; E528-Q561 PolarHBondContact OE1-NE2 2.89Å; V530-Q561 HydrophobicContact CG2-CG 3.81Å
562	E	91.4	Very high	90.9	Very high	92 Å²	92	68.7 Å²	68.7	43%	0.43	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	148.1	172.8	-169	158.2	-160	0	0	110.1	R526 F527	R526-E562 HydrophobicContact CG-CG 4.35Å; R526-E562 IonicContact CZ-OE1 2.76Å; R526-E562 IonicContact NE-OE1 2.84Å; R526-E562 PolarHBondContact NE-OE1 2.75Å; R526-E562 IonicContact NH2-OE1 3.73Å; R526-E562 PolarHBondContact NH2-OE1 2.94Å; R526-E562 IonicContact NH2-OE2 3.87Å; F527-E562 HydrophobicContact CD1-CB 4.14Å; F527-E562 HydrophobicContact CE1-CB 4.01Å; F527-E562 HydrophobicContact CE1-CG 4.36Å
563	R	88.3	Confident	90.9	Very high	106 Å²	106	74.4 Å²	74.4	40%	0.4	38%	0.379	S	S	.	.			trans	-78.6	119.5	176.2	-69.5	172.9	175.3	-136.7	-1.3	109.8	N524 E525 R526 F527 E528	N524-R563 PolarHBondContact O-NE 3.09Å; N524-R563 PolarHBondContact O-NH2 2.81Å; E525-R563 WeakPolarHBondContact O-CD 3.42Å; R526-R563 WeakPolarHBondContact O-CB 3.17Å; R526-R563 WeakPolarHBondContact O-CG 3.46Å; R526-R563 PolarHBondContact O-N 3.13Å; F527-R563 PolarHBondContact O-NE 3.36Å; E528-R563 HydrophobicContact CB-CG 4Å; E528-R563 HydrophobicContact CG-CG 4.13Å
564	N	70.4	Confident	91	Very high	223 Å²	223	77.5 Å²	77.5	100%	1.193	39%	0.389	S	S	*	.			trans	-72.5	0	163.3	-71	24.5	0	0	0	111.4

Retrieved 564 of 564 residues in 163.2 ms (Link to these results)

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