A0A093JX56_STRCA Loading...

Membrane-bound transcription factor site-1 protease

AlphaFold DB , UniProt , Accession A0A093JX56, Species STRCA (Struthio camelus australis), Gene n/a, Length 1,060 aa.

						>A0A093JX56_STRCA|A0A093JX56
MEPFPSMTMKFANIWFVLVVILLCGKKHLGTRLGNSSHEAHICPGCSRLTLKVEFTSTVVEHEYIVAFNGYFTAKARSKFISSALKSSDIENWRIVPRNNPASDYPSDFEVIQINEKQKDGVLTLEDHPNIKRVTPQRKVFRSLQYSESDPTLHCNETRWTQKWQSSRPLRRASLSLGSGFWHATGRHSSRRLLRAIPRQVAQTLQADVLWQMGYTGAGVRVAVFDTGLSEKHPHFKNVKERTNWTNERTLDDGLGHGTFVAGVIASMRECQGFAPNAELHIFRVFTNNQVSYTSWFLDAFNYAILKKIDVLNLSIGGPDFMDHPFVDKVWELTANNVIMVSAIGNDGPLYGTLNNPADQMDVIGVGGIDFEDNIARFSSRGMTTWELPGGYGRVKPDIVTYGSGVRGSGMKGGCRSLSGTSVASPVVAGAVTLLVSTVQKRETVNPASMKQALIASARRLPGVNMFEQGHGKLDLLRAYQILNSYKPQASLSPSYIDLTECPYMWPYCSQPIYYGGMPTIVNVTILNGMGVTGRIVDKPDWQPYLPQNGDNIEVAFSYSPVLWPWSGYLAISISVAKKAASWEGIAQGHVMITVSSPAENESKNGAEQTSTVKLPVKVKIIPTPPRSKRVLWDQYHNLRYPPGYFPRDNLRMKNDPLDWNGDHIHTNFRDMYQHLRSMGYFVEVLGSPFTCFDASQYGTLLMVDSEEEYFPEEITKLRRDVDNGLSLIVFSDWYNTSVMRKVKFYDENTRQWWMPDTGGANIPALNDLLSVWNMAFSDGLYEGDFTMANHEMNYASGCSIAKFPEDGIVIAQTFKDQGLEVLKQETAIVENVPILGLYQVPSEGGGRIVLYGDSNCLDDSHRQKDCFWLLDSLLQYTSYGVTPPSLSHSENRQRPPSGAGYSLPERMEGNHLHRYSKVLEAHLGDPKPRSLPACPHLSWAKPQPLNETAPSNLWKHQKLLSIDLDKVALPSFRQNRPQVRPLSPGESGAWDIPGGIMPGRYNQDVGQTIPVFAFLGAMVVLAFFVVQINKAKSRPKRRKPRVKRPQLMQQVHPPKTPSV
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.4	Very low	35.3	Very low	244 Å²	244	162.6 Å²	162.6	100%	1.202	84%	0.837	S	S	*	*				0	126.9	0	-76.5	171.3	163.8	0	0	106.5
2	E	39.5	Very low	34.7	Very low	160 Å²	160	155.1 Å²	155.1	75%	0.748	82%	0.817	S	S	*	*			cis	176.1	159.9	-11	-118.9	-172.6	-174.1	0	0	104.5
3	P	46.3	Very low	34.2	Very low	122 Å²	122	153.9 Å²	153.9	79%	0.792	81%	0.812	S	S	*	*				-148.7	172.7	54.8	34	-9	0	0	0	117.5
4	F	34.4	Very low	33.8	Very low	177 Å²	177	153.1 Å²	153.1	78%	0.776	81%	0.806	S	S	*	*			trans	-76.5	177	177.9	-92.9	-103.5	0	0	0	114.7
5	P	57.1	Low	33.1	Very low	108 Å²	108	157.4 Å²	157.4	70%	0.701	81%	0.807	S	S	*	*				-138.1	171.9	-55.4	39.5	-20.5	0	0	0	115.6
6	S	34.9	Very low	32.6	Very low	117 Å²	117	156 Å²	156	82%	0.818	79%	0.794	S	S	*	*			trans	53.5	102.3	151.1	169.7	0	0	0	0	120.6
7	M	30.7	Very low	32.3	Very low	188 Å²	188	156.1 Å²	156.1	93%	0.926	80%	0.803	S	S	*	*			trans	-160.2	158.8	150.2	-138.4	172.1	168.5	0	0	113.9
8	T	27.3	Very low	31.8	Very low	119 Å²	119	154.3 Å²	154.3	73%	0.73	80%	0.795	S	S	*	*			trans	-79.9	157	-169.5	38	0	0	0	0	116.6
9	M	26.5	Very low	31.4	Very low	174 Å²	174	152.2 Å²	152.2	86%	0.857	79%	0.789	S	S	*	*			trans	41	127.5	146.6	-88.1	-179.1	134.9	0	0	122
10	K	27.1	Very low	31.2	Very low	185 Å²	185	149.5 Å²	149.5	80%	0.804	78%	0.78	S	S	*	*				163.2	136.2	114.5	-86.8	-175.9	-179.7	175.9	0	114
11	F	26.3	Very low	31.2	Very low	195 Å²	195	150.4 Å²	150.4	86%	0.855	78%	0.783	S	S	*	*			trans	29.6	152.4	138.6	-69.5	-81.1	0	0	0	121.5
12	A	27.7	Very low	30.5	Very low	72 Å²	72	144.6 Å²	144.6	60%	0.595	76%	0.757	S	S	*	*			cis	179.1	172.9	1.7	0	0	0	0	0	110.8
13	N	28.4	Very low	29.9	Very low	140 Å²	140	144.1 Å²	144.1	75%	0.749	76%	0.759	S	S	*	*			trans	76.9	115.5	154.2	-66.7	-11.3	0	0	0	119.5
14	I	28.5	Very low	28.9	Very low	142 Å²	142	144.3 Å²	144.3	73%	0.728	76%	0.761	S	S	*	*				66.7	102.3	65.9	-54.1	168.7	0	0	0	112.9
15	W	24	Very low	28.4	Very low	218 Å²	218	139.7 Å²	139.7	83%	0.826	76%	0.763	S	S	*	*				-177.1	132.5	127.2	-120.5	49.7	0	0	0	113
16	F	24	Very low	27.1	Very low	135 Å²	135	143.3 Å²	143.3	59%	0.592	77%	0.768	S	S	*	*			trans	54.8	97.3	145.5	-89.2	-105.7	0	0	0	120.5	L18	F16-L18 HydrophobicContact CD1-CB 4.42Å; F16-L18 HydrophobicContact CD1-CD1 3.44Å; F16-L18 VanDerWaalsContact CD1-CD1 3.44Å; F16-L18 HydrophobicContact CE1-CD1 3.34Å
17	V	27.6	Very low	26.6	Very low	157 Å²	157	146 Å²	146	95%	0.952	77%	0.765	S	S	*	*			trans	-100.4	103.9	150.8	175.3	0	0	0	0	107.7
18	L	23.7	Very low	26.4	Very low	125 Å²	125	144 Å²	144	65%	0.654	75%	0.753	S	S	*	*			trans	-117.3	142.1	171.7	-134.6	126.7	0	0	0	106.5	F16	F16-L18 HydrophobicContact CD1-CB 4.42Å; F16-L18 HydrophobicContact CD1-CD1 3.44Å; F16-L18 VanDerWaalsContact CD1-CD1 3.44Å; F16-L18 HydrophobicContact CE1-CD1 3.34Å
19	V	24.8	Very low	26.2	Very low	113 Å²	113	146 Å²	146	69%	0.685	76%	0.758	S	S	*	*	S	Bend	trans	87.5	97.1	154.8	-171.6	0	0	0	0	117.1
20	V	26	Very low	26.1	Very low	99 Å²	99	140.6 Å²	140.6	60%	0.6	75%	0.748	S	S	*	*				75.4	86.2	127.3	-176	0	0	0	0	116.9	L22	V20-L22 HydrophobicContact CB-CD1 4.44Å; V20-L22 HydrophobicContact CG1-CB 3.77Å; V20-L22 HydrophobicContact CG1-CD1 3.86Å; V20-L22 HydrophobicContact CG1-CG 4.46Å; V20-L22 HydrophobicContact CG2-CD1 4.04Å
21	I	31	Very low	26	Very low	168 Å²	168	138.1 Å²	138.1	86%	0.862	75%	0.748	S	S	*	*			trans	-142.9	89.2	132	-54.1	178.8	0	0	0	103.8
22	L	24.8	Very low	26	Very low	123 Å²	123	140.3 Å²	140.3	64%	0.644	75%	0.751	S	S	*	*			cis	50.3	106	36.7	-104.9	161	0	0	0	113.8	V20	V20-L22 HydrophobicContact CB-CD1 4.44Å; V20-L22 HydrophobicContact CG1-CB 3.77Å; V20-L22 HydrophobicContact CG1-CD1 3.86Å; V20-L22 HydrophobicContact CG1-CG 4.46Å; V20-L22 HydrophobicContact CG2-CD1 4.04Å
23	L	26.4	Very low	25.9	Very low	150 Å²	150	145.6 Å²	145.6	79%	0.785	77%	0.768	S	S	*	*			trans	87.8	117.6	172.1	-50.3	160.8	0	0	0	112.8
24	C	26.1	Very low	25.6	Very low	125 Å²	125	142.2 Å²	142.2	85%	0.845	77%	0.767	S	S	*	*			cis	-168.5	142.3	18.2	-145.6	0	0	0	0	109.7
25	G	23.7	Very low	25.4	Very low	80 Å²	80	143.4 Å²	143.4	83%	0.825	77%	0.774	S	S	*	*			trans	-178.3	81.6	176.3	0	0	0	0	0	114.4
26	K	28.8	Very low	25.3	Very low	185 Å²	185	137.9 Å²	137.9	80%	0.804	77%	0.769	S	S	*	*			trans	-39.8	140.3	-174.1	-77.4	169.2	171.6	172.3	0	121.4
27	K	25.9	Very low	25.3	Very low	173 Å²	173	136.7 Å²	136.7	75%	0.752	78%	0.778	S	S	*	*				56	136.4	129.2	-66.7	-175.5	172.3	-171.6	0	119
28	H	25.1	Very low	25.2	Very low	145 Å²	145	138.1 Å²	138.1	67%	0.671	77%	0.773	S	S	*	*			cis	-167.7	146.4	43.1	-129.3	-67.9	0	0	0	112.3
29	L	24.6	Very low	25.3	Very low	161 Å²	161	141 Å²	141	84%	0.843	78%	0.784	S	S	*	*			trans	54	127.9	150.9	-110.6	77.6	0	0	0	120.9
30	G	23.6	Very low	25.3	Very low	61 Å²	61	139.8 Å²	139.8	63%	0.629	79%	0.785	S	S	*	*			cis	-178.1	121.5	-0.1	0	0	0	0	0	112
31	T	25.3	Very low	25.1	Very low	134 Å²	134	144.3 Å²	144.3	82%	0.822	80%	0.799	S	S	*	*			trans	43.8	116.3	136	53.1	0	0	0	0	121.3
32	R	25.9	Very low	24.8	Very low	240 Å²	240	143.6 Å²	143.6	91%	0.906	80%	0.796	S	S	*	*				84.2	121.9	69	-96.9	-168.7	179.5	-173.2	1	115.7
33	L	25.6	Very low	24.8	Very low	184 Å²	184	143.4 Å²	143.4	96%	0.963	80%	0.803	S	S	*	*			trans	-162.4	134.3	146.1	-94.2	140.4	0	0	0	104.6
34	G	22.9	Very low	24.8	Very low	69 Å²	69	142.3 Å²	142.3	71%	0.711	81%	0.805	S	S	*	*			cis	140.4	85.3	13.7	0	0	0	0	0	109.7
35	N	23.1	Very low	25.2	Very low	167 Å²	167	139.8 Å²	139.8	89%	0.893	80%	0.8	S	S	*	*			trans	82.3	139.9	145.6	-100	2.9	0	0	0	125.5
36	S	23.3	Very low	25.7	Very low	101 Å²	101	139.7 Å²	139.7	71%	0.706	79%	0.786	S	S	*	*			trans	76.7	96.9	149.9	71.5	0	0	0	0	120.1
37	S	23.2	Very low	26.5	Very low	111 Å²	111	133.9 Å²	133.9	78%	0.776	77%	0.769	S	S	*	*			trans	-70.3	119.8	159.4	43.4	0	0	0	0	111.7
38	H	25.8	Very low	28.1	Very low	187 Å²	187	133.3 Å²	133.3	87%	0.866	76%	0.762	S	S	*	*			trans	-95.9	104.2	149.5	-86.1	-70.3	0	0	0	107	A40	H38-A40 PolarHBondContact O-N 3.38Å
39	E	24.6	Very low	30.5	Very low	186 Å²	186	127.3 Å²	127.3	87%	0.869	73%	0.734	S	S	*	*			trans	-61.6	116.5	168.9	-77.5	176.4	147.4	0	0	109.2
40	A	24.7	Very low	32.9	Very low	86 Å²	86	121.7 Å²	121.7	71%	0.711	71%	0.707	S	S	*	*			trans	-83.5	124	164.8	0	0	0	0	0	108.1	H38 I42	H38-A40 PolarHBondContact O-N 3.38Å; A40-I42 PolarHBondContact O-N 3.21Å
41	H	23.2	Very low	35.4	Very low	194 Å²	194	119 Å²	119	90%	0.898	68%	0.678	S	S	*	*			trans	-53.7	112.2	174.2	-78	-73.7	0	0	0	111.3	C43	H41-C43 PolarHBondContact O-N 3.43Å
42	I	24.1	Very low	37.6	Very low	154 Å²	154	117.7 Å²	117.7	79%	0.79	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-69.2	120.9	165.5	-64.7	166.6	0	0	0	107.1	A40 P44	A40-I42 PolarHBondContact O-N 3.21Å; I42-P44 WeakPolarHBondContact O-CD 3.39Å
43	C	24.2	Very low	39.6	Very low	119 Å²	119	106.7 Å²	106.7	80%	0.804	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-68.4	119.1	163.3	-81	0	0	0	0	108.3	H41 G45	H41-C43 PolarHBondContact O-N 3.43Å; C43-G45 PolarHBondContact O-N 3.09Å
44	P	27.7	Very low	41.7	Very low	127 Å²	127	101.3 Å²	101.3	83%	0.825	59%	0.59	S	S	*	*	S	Bend	trans	-77.7	124.1	172.3	30.9	-27.4	0	0	0	108.6	I42	I42-P44 WeakPolarHBondContact O-CD 3.39Å
45	G	33.9	Very low	43.8	Very low	72 Å²	72	99.6 Å²	99.6	74%	0.742	56%	0.563	S	S	*	*	S	Bend	trans	112.2	24.2	155.5	0	0	0	0	0	119.7	C43	C43-G45 PolarHBondContact O-N 3.09Å
46	C	33.4	Very low	45.8	Very low	78 Å²	78	95 Å²	95	53%	0.527	54%	0.542	S	S	.	.			trans	-136.6	86.2	165.2	-87.4	0	0	0	0	110.9	R48	C46-R48 PolarHBondContact O-N 3.12Å
47	S	46	Very low	48	Very low	63 Å²	63	91.2 Å²	91.2	44%	0.441	52%	0.515	S	S	.	.			trans	-65.1	123.4	160.9	46.2	0	0	0	0	108.4	L49	S47-L49 PolarHBondContact O-N 3.45Å
48	R	60.1	Low	50	Low	161 Å²	161	86.4 Å²	86.4	61%	0.608	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	109.1	171.2	-79.7	-178.6	179.2	-172.8	-1.9	106.9	C46 S149	C46-R48 PolarHBondContact O-N 3.12Å; R48-S149 WeakPolarHBondContact CB-OG 3.43Å; R48-S149 PolarHBondContact O-N 3.18Å; R48-S149 PolarHBondContact O-OG 3.48Å
49	L	75	Confident	52.3	Low	18 Å²	18	78.1 Å²	78.1	9%	0.094	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130	-179.2	-65	167.2	0	0	0	109.2	S47 S147 E148 L418 S419	S47-L49 PolarHBondContact O-N 3.45Å; L49-S147 CarbonylContact C-O 3.41Å; L49-S147 VanDerWaalsContact CA-O 3.31Å; L49-S147 WeakPolarHBondContact CA-O 3.49Å; L49-E148 HydrophobicContact CD2-CG 3.81Å; L49-L418 HydrophobicContact CB-CD2 4.01Å; L49-S419 PolarHBondContact O-N 2.77Å; L49-S419 VanDerWaalsContact O-N 3.07Å
50	T	74.4	Confident	54.9	Low	43 Å²	43	70.2 Å²	70.2	26%	0.264	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.1	168.9	-50.5	0	0	0	0	107.2	S147	T50-S147 PolarHBondContact N-O 3.5Å; T50-S147 PolarHBondContact O-N 3.28Å; T50-S147 PolarHBondContact O-OG 2.68Å
51	L	76.1	Confident	57.3	Low	4 Å²	4	69 Å²	69	2%	0.021	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	110.3	175.2	-170.9	89.1	0	0	0	107.8	V53 L144 Y146 S419 S422	L51-V53 HydrophobicContact CD2-CG2 3.38Å; L51-V53 HydrophobicContact CG-CG2 3.79Å; L51-L144 HydrophobicContact CD1-CB 4.33Å; L51-L144 HydrophobicContact CD1-CD2 3.76Å; L51-L144 HydrophobicContact CD2-CD2 3.87Å; L51-L144 HydrophobicContact CG-CD2 4.04Å; L51-Y146 HydrophobicContact CD1-CD1 3.7Å; L51-Y146 HydrophobicContact CD1-CE1 3.25Å; L51-Y146 HydrophobicContact CD1-CE2 4.42Å; L51-Y146 HydrophobicContact CD1-CG 4.48Å; L51-S419 VanDerWaalsContact CB-O 3.25Å; L51-S419 WeakPolarHBondContact CB-O 3.2Å; L51-S419 PolarHBondContact N-O 2.9Å; L51-S422 WeakPolarHBondContact CD2-OG 3.44Å
52	K	72	Confident	60.2	Low	108 Å²	108	61.6 Å²	61.6	47%	0.47	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.5	163.1	-167.1	-172.3	-176.7	-156.7	0	107.2	E54 Q145	K52-E54 WeakPolarHBondContact CE-OE1 3.37Å; K52-E54 IonicContact NZ-OE1 3.84Å; K52-E54 PolarHBondContact NZ-OE1 3.42Å; K52-Q145 HydrophobicContact CB-CB 4.3Å; K52-Q145 PolarHBondContact N-O 2.85Å; K52-Q145 PolarHBondContact O-N 3.32Å
53	V	67.5	Low	63.2	Low	8 Å²	8	56 Å²	56	5%	0.048	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	114.6	178.7	-164	0	0	0	0	107.7	L51 F55 R142 S143 L144	L51-V53 HydrophobicContact CD2-CG2 3.38Å; L51-V53 HydrophobicContact CG-CG2 3.79Å; V53-F55 HydrophobicContact CB-CD2 4.45Å; V53-F55 HydrophobicContact CB-CE2 3.88Å; V53-F55 HydrophobicContact CG1-CD2 3.79Å; V53-F55 HydrophobicContact CG1-CE1 4.36Å; V53-F55 HydrophobicContact CG1-CE2 3.1Å; V53-F55 HydrophobicContact CG1-CZ 3.45Å; V53-F55 VanDerWaalsContact CG1-CZ 3.45Å; V53-R142 HydrophobicContact CG1-CG 3.71Å; V53-S143 WeakPolarHBondContact CA-O 3.33Å; V53-L144 HydrophobicContact CG1-CD2 4.01Å; V53-L144 HydrophobicContact CG2-CD2 3.86Å
54	E	69.7	Low	66.3	Low	72 Å²	72	52.1 Å²	52.1	34%	0.336	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	141.8	171.8	-66.1	170.3	175.3	0	0	108.6	K52 R142 S143 Q145	K52-E54 WeakPolarHBondContact CE-OE1 3.37Å; K52-E54 IonicContact NZ-OE1 3.84Å; K52-E54 PolarHBondContact NZ-OE1 3.42Å; E54-R142 CarbonylContact O-C 3.25Å; E54-R142 WeakPolarHBondContact O-CA 3.44Å; E54-S143 PolarHBondContact N-O 2.92Å; E54-S143 PolarHBondContact O-N 3.34Å; E54-Q145 PolarHBondContact OE1-NE2 3.01Å; E54-Q145 PolarHBondContact OE2-NE2 3.36Å
55	F	67.4	Low	69.3	Low	32 Å²	32	46 Å²	46	14%	0.14	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.5	-176.3	-79.6	-79.7	0	0	0	110.2	V53 V140 R142 I316 G317 G318	V53-F55 HydrophobicContact CB-CD2 4.45Å; V53-F55 HydrophobicContact CB-CE2 3.88Å; V53-F55 HydrophobicContact CG1-CD2 3.79Å; V53-F55 HydrophobicContact CG1-CE1 4.36Å; V53-F55 HydrophobicContact CG1-CE2 3.1Å; V53-F55 HydrophobicContact CG1-CZ 3.45Å; V53-F55 VanDerWaalsContact CG1-CZ 3.45Å; F55-V140 HydrophobicContact CD1-CG1 4.49Å; F55-R142 HydrophobicContact CD1-CB 4.07Å; F55-R142 HydrophobicContact CD1-CG 4.16Å; F55-R142 HydrophobicContact CE1-CB 3.73Å; F55-R142 HydrophobicContact CE1-CG 3.51Å; F55-R142 HydrophobicContact CZ-CB 4.47Å; F55-R142 HydrophobicContact CZ-CG 3.75Å; F55-I316 HydrophobicContact CE1-CG2 3.54Å; F55-I316 HydrophobicContact CZ-CB 4.44Å; F55-I316 HydrophobicContact CZ-CG2 3.65Å; F55-G317 VanDerWaalsContact CD2-O 3.23Å; F55-G317 WeakPolarHBondContact CD2-O 3.21Å; F55-G317 VanDerWaalsContact CE2-C 3.42Å; F55-G317 WeakPolarHBondContact CE2-O 3.34Å; F55-G318 VanDerWaalsContact CD2-CA 3.46Å
56	T	65.9	Low	72.1	Confident	72 Å²	72	42.6 Å²	42.6	44%	0.442	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	131.6	176.4	66.7	0	0	0	0	108.6	F141 N749	T56-F141 PolarHBondContact N-O 3.47Å; T56-F141 PolarHBondContact O-N 3.11Å; T56-F141 WeakPolarHBondContact OG1-CB 3.29Å; T56-N749 WeakPolarHBondContact CB-ND2 3.4Å
57	S	68.9	Low	74.9	Confident	21 Å²	21	39.8 Å²	39.8	15%	0.147	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	115.1	-174.6	-179.8	0	0	0	0	112.7	R138 N749	S57-R138 PolarHBondContact OG-NE 3.19Å; S57-N749 VanDerWaalsContact C-CB 3.48Å; S57-N749 VanDerWaalsContact C-ND2 3.28Å; S57-N749 PolarHBondContact N-ND2 3.31Å; S57-N749 VanDerWaalsContact O-CB 3.24Å; S57-N749 WeakPolarHBondContact O-CB 3.48Å; S57-N749 VanDerWaalsContact O-CG 3.32Å; S57-N749 PolarHBondContact O-ND2 2.05Å
58	T	65	Low	77.1	Confident	10 Å²	10	37 Å²	37	6%	0.061	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	144.3	175.7	144	0	0	0	0	112	R138 K139 F141 E748 N749	T58-R138 CarbonylContact O-C 3.01Å; T58-R138 VanDerWaalsContact O-C 3.31Å; T58-R138 WeakPolarHBondContact O-CA 3.28Å; T58-R138 WeakPolarHBondContact O-CB 3.43Å; T58-K139 WeakPolarHBondContact CA-O 3.21Å; T58-K139 WeakPolarHBondContact CB-O 3.45Å; T58-K139 HydrophobicContact CG2-CD 4.3Å; T58-K139 PolarHBondContact N-O 2.98Å; T58-K139 PolarHBondContact O-N 3.29Å; T58-K139 WeakPolarHBondContact OG1-CB 3.29Å; T58-F141 HydrophobicContact CG2-CD2 4.24Å; T58-F141 HydrophobicContact CG2-CE2 3.6Å; T58-E748 WeakPolarHBondContact CG2-O 3.42Å; T58-N749 CarbonylContact C-O 3.51Å; T58-N749 VanDerWaalsContact C-O 3.26Å; T58-N749 VanDerWaalsContact CA-CG 3.41Å; T58-N749 WeakPolarHBondContact CA-O 3.33Å; T58-N749 VanDerWaalsContact CB-CA 3.44Å; T58-N749 WeakPolarHBondContact CB-O 3.03Å; T58-N749 WeakPolarHBondContact CB-OD1 3.45Å; T58-N749 HydrophobicContact CG2-CB 3.58Å; T58-N749 WeakPolarHBondContact CG2-O 3.47Å; T58-N749 WeakPolarHBondContact CG2-OD1 2.94Å; T58-N749 PolarHBondContact N-OD1 3.44Å; T58-N749 PolarHBondContact OG1-O 2.95Å
59	V	74.1	Confident	78.6	Confident	12 Å²	12	34 Å²	34	7%	0.073	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	131.5	150.6	161.7	0	0	0	0	109.5	E61 P136 Q137 R138 N749 T750	V59-E61 PolarHBondContact O-N 3.14Å; V59-P136 HydrophobicContact CB-CB 4.3Å; V59-P136 HydrophobicContact CG1-CB 3.45Å; V59-P136 VanDerWaalsContact CG1-CB 3.45Å; V59-P136 HydrophobicContact CG1-CG 4.4Å; V59-P136 HydrophobicContact CG2-CB 3.88Å; V59-P136 HydrophobicContact CG2-CG 4.01Å; V59-Q137 CarbonylContact C-O 3.49Å; V59-Q137 WeakPolarHBondContact CA-O 3.38Å; V59-R138 HydrophobicContact CG2-CG 3.84Å; V59-N749 CarbonylContact C-O 3.56Å; V59-N749 PolarHBondContact N-O 3.48Å; V59-T750 VanDerWaalsContact CB-CA 3.45Å; V59-T750 HydrophobicContact CB-CG2 3.57Å; V59-T750 HydrophobicContact CG2-CG2 3.44Å; V59-T750 VanDerWaalsContact CG2-CG2 3.44Å; V59-T750 CarbonylContact O-C 3.54Å; V59-T750 WeakPolarHBondContact O-CA 3.39Å
60	V	78.8	Confident	79.3	Confident	21 Å²	21	34.3 Å²	34.3	13%	0.127	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	121.8	178.9	-172.4	0	0	0	0	109.2	H62 E63 Q137 K139 Y293	V60-H62 PolarHBondContact O-N 3.29Å; V60-E63 HydrophobicContact CB-CB 4.16Å; V60-E63 HydrophobicContact CG1-CB 4Å; V60-E63 HydrophobicContact CG1-CG 3.98Å; V60-E63 PolarHBondContact O-N 3.06Å; V60-Q137 HydrophobicContact CB-CB 4.3Å; V60-Q137 HydrophobicContact CB-CG 4.05Å; V60-Q137 HydrophobicContact CG2-CB 4.44Å; V60-Q137 HydrophobicContact CG2-CG 3.76Å; V60-Q137 PolarHBondContact N-O 2.99Å; V60-K139 HydrophobicContact CG2-CB 3.76Å; V60-Y293 HydrophobicContact CG1-CE1 4.45Å; V60-Y293 HydrophobicContact CG2-CD1 3.7Å; V60-Y293 HydrophobicContact CG2-CE1 3.45Å; V60-Y293 VanDerWaalsContact CG2-CE1 3.45Å
61	E	75.3	Confident	80.2	Confident	60 Å²	60	36.9 Å²	36.9	28%	0.28	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	135.1	176.9	-114.6	173.4	-140.7	0	0	112.1	V59 E63 R751	V59-E61 PolarHBondContact O-N 3.14Å; E61-E63 PolarHBondContact O-N 3.01Å; E61-R751 VanDerWaalsContact CD-NH1 3.32Å; E61-R751 HydrophobicContact CG-CB 3.74Å; E61-R751 HydrophobicContact CG-CG 4.24Å; E61-R751 VanDerWaalsContact OE1-CB 3.26Å; E61-R751 WeakPolarHBondContact OE1-CB 3.28Å; E61-R751 WeakPolarHBondContact OE1-CD 3.25Å; E61-R751 IonicContact OE1-NH1 2.68Å; E61-R751 IonicContact OE2-CZ 3.69Å; E61-R751 IonicContact OE2-NH1 2.61Å; E61-R751 PolarHBondContact OE2-NH1 3.4Å
62	H	83.8	Confident	81.1	Confident	38 Å²	38	39.4 Å²	39.4	18%	0.176	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65.2	-3.1	174.7	-53.2	102.8	0	0	0	115.5	V60 Q113 I114 E116	V60-H62 PolarHBondContact O-N 3.29Å; H62-Q113 HydrophobicContact CB-CG 3.94Å; H62-Q113 CarbonylContact O-C 3.54Å; H62-Q113 WeakPolarHBondContact O-CA 3.43Å; H62-I114 WeakPolarHBondContact CB-O 3.39Å; H62-I114 PolarHBondContact CD2-O 3.34Å; H62-I114 PolarHBondContact O-N 3.46Å; H62-E116 PolarHBondContact CD2-N 3.07Å; H62-E116 WeakPolarHBondContact NE2-CA 3.48Å; H62-E116 VanDerWaalsContact NE2-CB 3.26Å; H62-E116 WeakPolarHBondContact NE2-CB 3.26Å; H62-E116 WeakPolarHBondContact NE2-CG 3.38Å; H62-E116 PolarHBondContact NE2-N 3.48Å
63	E	88.7	Confident	82.1	Confident	36 Å²	36	38.1 Å²	38.1	17%	0.168	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	129.7	179.7	-69.8	-175.1	-172	0	0	111.9	V60 E61 V96 V111 I112 Q113 Q137	V60-E63 HydrophobicContact CB-CB 4.16Å; V60-E63 HydrophobicContact CG1-CB 4Å; V60-E63 HydrophobicContact CG1-CG 3.98Å; V60-E63 PolarHBondContact O-N 3.06Å; E61-E63 PolarHBondContact O-N 3.01Å; E63-V96 HydrophobicContact CG-CG2 4.29Å; E63-V111 HydrophobicContact CB-CG1 4.21Å; E63-I112 CarbonylContact C-O 3.17Å; E63-I112 VanDerWaalsContact CA-O 3.28Å; E63-I112 WeakPolarHBondContact CA-O 3.39Å; E63-Q113 HydrophobicContact CG-CG 4.38Å; E63-Q137 HydrophobicContact CB-CB 3.84Å; E63-Q137 HydrophobicContact CB-CG 4.26Å; E63-Q137 WeakPolarHBondContact O-CB 3.45Å; E63-Q137 PolarHBondContact O-N 2.82Å
64	Y	88.6	Confident	83.2	Confident	38 Å²	38	40.3 Å²	40.3	15%	0.149	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	137.8	179.9	-58	-91.4	0	0	0	110.4	V111 I112 I114 V122 V134 T135	Y64-V111 CarbonylContact O-C 3.57Å; Y64-V111 WeakPolarHBondContact O-CA 3.37Å; Y64-I112 PolarHBondContact N-O 3.44Å; Y64-I112 PolarHBondContact O-N 3.31Å; Y64-I114 HydrophobicContact CD2-CB 4.48Å; Y64-I114 HydrophobicContact CD2-CD1 4.22Å; Y64-I114 HydrophobicContact CD2-CG1 4.46Å; Y64-I114 HydrophobicContact CE2-CB 4.24Å; Y64-I114 HydrophobicContact CE2-CD1 4.46Å; Y64-V122 HydrophobicContact CD1-CG1 4.39Å; Y64-V122 HydrophobicContact CD1-CG2 4.42Å; Y64-V122 HydrophobicContact CE1-CG1 4.42Å; Y64-V122 HydrophobicContact CE1-CG2 4Å; Y64-V122 HydrophobicContact CE2-CG2 4.1Å; Y64-V134 HydrophobicContact CD1-CG1 4.29Å; Y64-V134 HydrophobicContact CG-CG1 4.33Å; Y64-T135 CarbonylContact C-O 3.54Å; Y64-T135 WeakPolarHBondContact CA-O 3.29Å
65	I	90.7	Very high	84.2	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	115	169.4	-53.9	176.3	0	0	0	107.5	F109 E110 V134 T135 Q137 T294 L298 P325	I65-F109 HydrophobicContact CG2-CB 4.01Å; I65-F109 HydrophobicContact CG2-CD2 3.89Å; I65-F109 HydrophobicContact CG2-CG 4.27Å; I65-E110 WeakPolarHBondContact CA-O 3.37Å; I65-V134 WeakPolarHBondContact O-CA 3.27Å; I65-T135 PolarHBondContact N-O 2.95Å; I65-T135 PolarHBondContact O-N 3.48Å; I65-Q137 HydrophobicContact CG1-CB 4.07Å; I65-T294 HydrophobicContact CD1-CG2 3.81Å; I65-L298 HydrophobicContact CD1-CD1 4.13Å; I65-L298 HydrophobicContact CG2-CD1 4.09Å; I65-P325 HydrophobicContact CD1-CB 4.42Å; I65-P325 HydrophobicContact CD1-CG 4.29Å
66	V	92.5	Very high	85.4	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	108.5	170.2	-177.8	0	0	0	0	107.7	F68 I81 F109 E110 I112 L125 I131 V134	V66-F68 HydrophobicContact CB-CZ 4.42Å; V66-F68 HydrophobicContact CG1-CE1 4.06Å; V66-F68 HydrophobicContact CG1-CE2 4.25Å; V66-F68 HydrophobicContact CG1-CZ 3.81Å; V66-F68 WeakPolarHBondContact O-CE2 3.4Å; V66-I81 HydrophobicContact CG1-CG1 4.4Å; V66-F109 CarbonylContact O-C 3.4Å; V66-F109 WeakPolarHBondContact O-CA 3.48Å; V66-E110 PolarHBondContact N-O 3.38Å; V66-E110 PolarHBondContact O-N 3.4Å; V66-I112 HydrophobicContact CG2-CD1 3.64Å; V66-I112 HydrophobicContact CG2-CG1 3.92Å; V66-I112 HydrophobicContact CG2-CG2 4.1Å; V66-L125 HydrophobicContact CG2-CD1 4.28Å; V66-I131 HydrophobicContact CG1-CD1 3.81Å; V66-I131 HydrophobicContact CG1-CG1 3.95Å; V66-I131 HydrophobicContact CG1-CG2 3.83Å; V66-V134 HydrophobicContact CG1-CG2 4.34Å; V66-V134 HydrophobicContact CG2-CG1 4.29Å; V66-V134 HydrophobicContact CG2-CG2 4.15Å
67	A	92.1	Very high	86.7	Confident	18 Å²	18	40.8 Å²	40.8	15%	0.149	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	141.4	175	0	0	0	0	0	110.4	D108 I131 K132 R133	A67-D108 CarbonylContact C-O 3.32Å; A67-I131 CarbonylContact O-C 3.55Å; A67-K132 HydrophobicContact CB-CB 4.35Å; A67-K132 PolarHBondContact O-N 3.22Å; A67-R133 PolarHBondContact N-O 3.08Å; A67-R133 PolarHBondContact O-N 3.5Å
68	F	93.3	Very high	87.8	Confident	6 Å²	6	42 Å²	42	3%	0.026	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	158.7	-178.4	-60.6	-81.7	0	0	0	111	V66 G70 F72 R77 F80 I81 D108 E110 N130 I131	V66-F68 HydrophobicContact CB-CZ 4.42Å; V66-F68 HydrophobicContact CG1-CE1 4.06Å; V66-F68 HydrophobicContact CG1-CE2 4.25Å; V66-F68 HydrophobicContact CG1-CZ 3.81Å; V66-F68 WeakPolarHBondContact O-CE2 3.4Å; F68-G70 PolarHBondContact O-N 3.46Å; F68-G70 VanDerWaalsContact O-N 3.14Å; F68-F72 HydrophobicContact CB-CD2 3.84Å; F68-F72 HydrophobicContact CB-CE2 3.94Å; F68-F72 HydrophobicContact CG-CD2 4.25Å; F68-R77 HydrophobicContact CD2-CG 3.93Å; F68-R77 HydrophobicContact CE1-CB 4.44Å; F68-R77 HydrophobicContact CE1-CG 4.46Å; F68-R77 HydrophobicContact CE2-CB 3.82Å; F68-R77 HydrophobicContact CE2-CG 3.65Å; F68-R77 HydrophobicContact CG-CG 4.47Å; F68-R77 HydrophobicContact CZ-CB 3.73Å; F68-R77 HydrophobicContact CZ-CG 3.93Å; F68-F80 HydrophobicContact CD1-CD2 4.03Å; F68-F80 HydrophobicContact CE1-CB 4.03Å; F68-F80 AromaticContact CE1-CD2 3.97Å; F68-F80 HydrophobicContact CE1-CD2 3.97Å; F68-I81 HydrophobicContact CE1-CG1 4.48Å; F68-I81 HydrophobicContact CZ-CD1 3.95Å; F68-I81 HydrophobicContact CZ-CG1 3.99Å; F68-D108 WeakPolarHBondContact CD2-O 3.34Å; F68-D108 PolarHBondContact N-O 3.14Å; F68-E110 HydrophobicContact CE2-CB 4.07Å; F68-N130 WeakPolarHBondContact CA-O 3.31Å; F68-I131 HydrophobicContact CD1-CG1 4.11Å; F68-I131 HydrophobicContact CE1-CG1 3.94Å
69	N	90.4	Very high	89.2	Confident	98 Å²	98	47.6 Å²	47.6	52%	0.524	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	-2.2	178.5	-70.1	-29.1	0	0	0	114.3	P129 N130 K132	N69-P129 PolarHBondContact ND2-O 3.03Å; N69-N130 PolarHBondContact N-O 3.4Å; N69-K132 WeakPolarHBondContact OD1-CA 3.47Å; N69-K132 VanDerWaalsContact OD1-CB 3.24Å; N69-K132 WeakPolarHBondContact OD1-CB 3.3Å
70	G	91.1	Very high	90	Very high	23 Å²	23	49 Å²	49	24%	0.237	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	179.8	179.5	0	0	0	0	0	112.7	F68 F72 D108	F68-G70 PolarHBondContact O-N 3.46Å; F68-G70 VanDerWaalsContact O-N 3.14Å; G70-F72 WeakPolarHBondContact O-CD2 3.39Å; G70-F72 WeakPolarHBondContact O-CE2 3.45Å; G70-D108 WeakPolarHBondContact O-CA 3.44Å
71	Y	92.7	Very high	90.6	Very high	97 Å²	97	48 Å²	48	38%	0.38	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	118	179.7	-76.7	-91.9	0	0	0	111.5	P106 D108 N302 K329 E332	Y71-P106 WeakPolarHBondContact CD1-O 2.89Å; Y71-D108 HydrophobicContact CD1-CB 4.27Å; Y71-D108 HydrophobicContact CD2-CB 4.46Å; Y71-D108 HydrophobicContact CE1-CB 4.18Å; Y71-D108 HydrophobicContact CE2-CB 4.39Å; Y71-D108 HydrophobicContact CG-CB 4.41Å; Y71-N302 PolarHBondContact OH-OD1 3.09Å; Y71-K329 PolarHBondContact OH-NZ 3.48Å; Y71-E332 WeakPolarHBondContact CE2-OE1 3.39Å; Y71-E332 PolarHBondContact OH-OE1 3.36Å
72	F	93.9	Very high	91.3	Very high	57 Å²	57	47.5 Å²	47.5	25%	0.25	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	151.6	-176.4	-62.2	-70.8	0	0	0	112	F68 G70 A76 R77 F80 P106 S107	F68-F72 HydrophobicContact CB-CD2 3.84Å; F68-F72 HydrophobicContact CB-CE2 3.94Å; F68-F72 HydrophobicContact CG-CD2 4.25Å; G70-F72 WeakPolarHBondContact O-CD2 3.39Å; G70-F72 WeakPolarHBondContact O-CE2 3.45Å; F72-A76 HydrophobicContact CB-CB 4.22Å; F72-R77 HydrophobicContact CB-CG 3.59Å; F72-R77 PolarHBondContact O-NE 3.43Å; F72-F80 HydrophobicContact CB-CE2 4.49Å; F72-F80 AromaticContact CD1-CE2 3.96Å; F72-F80 HydrophobicContact CD1-CE2 3.96Å; F72-F80 HydrophobicContact CD1-CZ 4.37Å; F72-F80 AromaticContact CD2-CE2 3.91Å; F72-F80 HydrophobicContact CD2-CE2 3.91Å; F72-F80 HydrophobicContact CE1-CE2 4.1Å; F72-F80 HydrophobicContact CE1-CZ 4.33Å; F72-F80 HydrophobicContact CE2-CE2 4.05Å; F72-F80 AromaticContact CG-CE2 3.86Å; F72-F80 HydrophobicContact CG-CE2 3.86Å; F72-F80 HydrophobicContact CZ-CE2 4.14Å; F72-P106 WeakPolarHBondContact O-CA 3.15Å; F72-S107 PolarHBondContact N-O 3.3Å; F72-S107 PolarHBondContact O-N 3.15Å; F72-S107 VanDerWaalsContact O-N 3.14Å
73	T	92.9	Very high	91.6	Very high	81 Å²	81	49 Å²	49	50%	0.497	27%	0.268	S	S	.	.			trans	-64.9	153.1	173.2	64.1	0	0	0	0	110.8	K75 A76 R77	T73-K75 PolarHBondContact O-N 3.46Å; T73-A76 PolarHBondContact O-N 3.14Å; T73-A76 PolarHBondContact OG1-N 3.16Å; T73-R77 PolarHBondContact O-N 3.39Å
74	A	90.6	Very high	91.5	Very high	54 Å²	54	47.5 Å²	47.5	45%	0.446	26%	0.261	S	S	.	.	H	α-helix	trans	-54.1	-38	179.1	0	0	0	0	0	113.1	A76 S78	A74-A76 PolarHBondContact O-N 3.04Å; A74-S78 WeakPolarHBondContact O-CB 3.47Å; A74-S78 PolarHBondContact O-N 3.37Å
75	K	91.8	Very high	91.3	Very high	158 Å²	158	45.8 Å²	45.8	69%	0.687	26%	0.255	S	S	*	.	H	α-helix	trans	-65.5	-37.3	176.7	-168.9	175.7	-175.8	176.4	0	112.7	T73 K79	T73-K75 PolarHBondContact O-N 3.46Å; K75-K79 WeakPolarHBondContact O-CG 3.41Å; K75-K79 PolarHBondContact O-N 2.86Å
76	A	92.9	Very high	90.8	Very high	24 Å²	24	54.5 Å²	54.5	20%	0.198	29%	0.293	C	S	.	.	H	α-helix	trans	-71.4	-45.9	177.6	0	0	0	0	0	111.6	F72 T73 A74 S78 K79 F80	F72-A76 HydrophobicContact CB-CB 4.22Å; T73-A76 PolarHBondContact O-N 3.14Å; T73-A76 PolarHBondContact OG1-N 3.16Å; A74-A76 PolarHBondContact O-N 3.04Å; A76-S78 VanDerWaalsContact C-N 3.35Å; A76-S78 PolarHBondContact O-N 2.87Å; A76-K79 WeakPolarHBondContact O-CB 3.36Å; A76-K79 PolarHBondContact O-N 3Å; A76-K79 VanDerWaalsContact O-N 3.1Å; A76-F80 HydrophobicContact CB-CE2 4.45Å; A76-F80 HydrophobicContact CB-CZ 4.48Å; A76-F80 WeakPolarHBondContact O-CG 3.5Å; A76-F80 PolarHBondContact O-N 3.02Å
77	R	93.6	Very high	89.6	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.015	33%	0.326	C	S	.	.	H	α-helix	trans	-59	-45.3	177	-65.9	-174.2	-69.5	106.8	19.8	111.9	F68 F72 T73 K79 F80 I81 S107 F109 E110	F68-R77 HydrophobicContact CD2-CG 3.93Å; F68-R77 HydrophobicContact CE1-CB 4.44Å; F68-R77 HydrophobicContact CE1-CG 4.46Å; F68-R77 HydrophobicContact CE2-CB 3.82Å; F68-R77 HydrophobicContact CE2-CG 3.65Å; F68-R77 HydrophobicContact CG-CG 4.47Å; F68-R77 HydrophobicContact CZ-CB 3.73Å; F68-R77 HydrophobicContact CZ-CG 3.93Å; F72-R77 HydrophobicContact CB-CG 3.59Å; F72-R77 PolarHBondContact O-NE 3.43Å; T73-R77 PolarHBondContact O-N 3.39Å; R77-K79 VanDerWaalsContact C-N 3.31Å; R77-K79 PolarHBondContact O-N 3.3Å; R77-F80 PolarHBondContact O-N 3.27Å; R77-I81 WeakPolarHBondContact O-CG1 3.49Å; R77-I81 PolarHBondContact O-N 2.88Å; R77-S107 VanDerWaalsContact CD-O 3.28Å; R77-S107 WeakPolarHBondContact CD-O 3.47Å; R77-F109 PolarHBondContact NH1-O 3.45Å; R77-E110 IonicContact CZ-OE2 3.55Å; R77-E110 VanDerWaalsContact NH1-CB 3.29Å; R77-E110 IonicContact NH1-OE1 2.81Å; R77-E110 PolarHBondContact NH1-OE1 2.77Å; R77-E110 IonicContact NH1-OE2 3.62Å; R77-E110 PolarHBondContact NH1-OE2 3.21Å; R77-E110 IonicContact NH2-OE2 3.09Å; R77-E110 PolarHBondContact NH2-OE2 3.32Å
78	S	92.1	Very high	88.4	Confident	46 Å²	46	59.5 Å²	59.5	32%	0.322	33%	0.327	S	S	.	.	H	α-helix	trans	-58.8	-40	174.7	174.6	0	0	0	0	112.5	A74 A76 S82	A74-S78 WeakPolarHBondContact O-CB 3.47Å; A74-S78 PolarHBondContact O-N 3.37Å; A76-S78 VanDerWaalsContact C-N 3.35Å; A76-S78 PolarHBondContact O-N 2.87Å; S78-S82 VanDerWaalsContact O-CB 3.3Å; S78-S82 WeakPolarHBondContact O-CB 3.39Å; S78-S82 PolarHBondContact O-N 2.89Å; S78-S82 PolarHBondContact O-OG 3.11Å
79	K	92.8	Very high	87.3	Confident	128 Å²	128	66.6 Å²	66.6	56%	0.557	37%	0.365	S	S	*	.	H	α-helix	trans	-64.2	-44.8	174.9	-77.8	-179.4	176.9	-169.5	0	112.5	K75 A76 R77 S82 S83	K75-K79 WeakPolarHBondContact O-CG 3.41Å; K75-K79 PolarHBondContact O-N 2.86Å; A76-K79 WeakPolarHBondContact O-CB 3.36Å; A76-K79 PolarHBondContact O-N 3Å; A76-K79 VanDerWaalsContact O-N 3.1Å; R77-K79 VanDerWaalsContact C-N 3.31Å; R77-K79 PolarHBondContact O-N 3.3Å; K79-S82 WeakPolarHBondContact CA-OG 3.45Å; K79-S82 PolarHBondContact O-N 3.46Å; K79-S82 PolarHBondContact O-OG 3.36Å; K79-S83 WeakPolarHBondContact O-CB 3.48Å; K79-S83 PolarHBondContact O-N 3.31Å
80	F	92.4	Very high	86.3	Confident	42 Å²	42	62.5 Å²	62.5	18%	0.184	34%	0.343	C	S	.	.	H	α-helix	trans	-59.8	-48.9	178.4	-60.3	-29.6	0	0	0	111.4	F68 F72 A76 R77 S82 S83 A84 H128 N130	F68-F80 HydrophobicContact CD1-CD2 4.03Å; F68-F80 HydrophobicContact CE1-CB 4.03Å; F68-F80 AromaticContact CE1-CD2 3.97Å; F68-F80 HydrophobicContact CE1-CD2 3.97Å; F72-F80 HydrophobicContact CB-CE2 4.49Å; F72-F80 AromaticContact CD1-CE2 3.96Å; F72-F80 HydrophobicContact CD1-CE2 3.96Å; F72-F80 HydrophobicContact CD1-CZ 4.37Å; F72-F80 AromaticContact CD2-CE2 3.91Å; F72-F80 HydrophobicContact CD2-CE2 3.91Å; F72-F80 HydrophobicContact CE1-CE2 4.1Å; F72-F80 HydrophobicContact CE1-CZ 4.33Å; F72-F80 HydrophobicContact CE2-CE2 4.05Å; F72-F80 AromaticContact CG-CE2 3.86Å; F72-F80 HydrophobicContact CG-CE2 3.86Å; F72-F80 HydrophobicContact CZ-CE2 4.14Å; A76-F80 HydrophobicContact CB-CE2 4.45Å; A76-F80 HydrophobicContact CB-CZ 4.48Å; A76-F80 WeakPolarHBondContact O-CG 3.5Å; A76-F80 PolarHBondContact O-N 3.02Å; R77-F80 PolarHBondContact O-N 3.27Å; F80-S82 PolarHBondContact O-N 2.82Å; F80-S83 PolarHBondContact O-N 2.97Å; F80-A84 WeakPolarHBondContact O-CB 3.25Å; F80-A84 PolarHBondContact O-N 3.18Å; F80-H128 AromaticContact CD1-CE1 3.99Å; F80-N130 HydrophobicContact CD2-CB 4.27Å; F80-N130 HydrophobicContact CE2-CB 4.27Å
81	I	90.9	Very high	85.3	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-60.6	-47.5	176.7	-64.2	161.9	0	0	0	110.4	V66 F68 R77 S83 A84 L85 W93 I95 E110 I112 L125	V66-I81 HydrophobicContact CG1-CG1 4.4Å; F68-I81 HydrophobicContact CE1-CG1 4.48Å; F68-I81 HydrophobicContact CZ-CD1 3.95Å; F68-I81 HydrophobicContact CZ-CG1 3.99Å; R77-I81 WeakPolarHBondContact O-CG1 3.49Å; R77-I81 PolarHBondContact O-N 2.88Å; I81-S83 VanDerWaalsContact C-N 3.26Å; I81-S83 PolarHBondContact O-N 3.16Å; I81-A84 PolarHBondContact O-N 3.27Å; I81-L85 HydrophobicContact CG2-CD1 3.71Å; I81-L85 HydrophobicContact CG2-CG 4.35Å; I81-L85 WeakPolarHBondContact O-CB 3.49Å; I81-L85 WeakPolarHBondContact O-CG 3.36Å; I81-L85 PolarHBondContact O-N 2.82Å; I81-W93 HydrophobicContact CB-CH2 4.31Å; I81-W93 HydrophobicContact CB-CZ3 4.31Å; I81-W93 HydrophobicContact CG2-CE3 3.93Å; I81-W93 HydrophobicContact CG2-CH2 3.73Å; I81-W93 HydrophobicContact CG2-CZ2 4.37Å; I81-W93 HydrophobicContact CG2-CZ3 3.46Å; I81-W93 VanDerWaalsContact CG2-CZ3 3.46Å; I81-I95 HydrophobicContact CD1-CD1 4.43Å; I81-E110 HydrophobicContact CD1-CB 3.95Å; I81-E110 HydrophobicContact CD1-CG 4.13Å; I81-I112 HydrophobicContact CD1-CG2 3.78Å; I81-I112 HydrophobicContact CG2-CG2 4.22Å; I81-L125 HydrophobicContact CG2-CD2 4.32Å
82	S	89.8	Confident	84.6	Confident	50 Å²	50	70 Å²	70	35%	0.35	38%	0.379	S	S	.	.	H	α-helix	trans	-62.1	-34.2	179.6	71.3	0	0	0	0	112.9	S78 K79 F80 K86	S78-S82 VanDerWaalsContact O-CB 3.3Å; S78-S82 WeakPolarHBondContact O-CB 3.39Å; S78-S82 PolarHBondContact O-N 2.89Å; S78-S82 PolarHBondContact O-OG 3.11Å; K79-S82 WeakPolarHBondContact CA-OG 3.45Å; K79-S82 PolarHBondContact O-N 3.46Å; K79-S82 PolarHBondContact O-OG 3.36Å; F80-S82 PolarHBondContact O-N 2.82Å; S82-K86 VanDerWaalsContact O-CB 3.29Å; S82-K86 WeakPolarHBondContact O-CB 3.47Å; S82-K86 PolarHBondContact O-N 3.38Å
83	S	89.1	Confident	84.3	Confident	69 Å²	69	70.8 Å²	70.8	48%	0.483	38%	0.38	S	S	.	.	H	α-helix	trans	-72.4	-42.1	178.3	-170.2	0	0	0	0	111.5	K79 F80 I81 K86	K79-S83 WeakPolarHBondContact O-CB 3.48Å; K79-S83 PolarHBondContact O-N 3.31Å; F80-S83 PolarHBondContact O-N 2.97Å; I81-S83 VanDerWaalsContact C-N 3.26Å; I81-S83 PolarHBondContact O-N 3.16Å; S83-K86 PolarHBondContact O-N 3.41Å
84	A	86.9	Confident	84.2	Confident	4 Å²	4	74.6 Å²	74.6	3%	0.033	39%	0.385	C	S	.	.	H	α-helix	trans	-66.6	-37.5	178.1	0	0	0	0	0	112	F80 I81 S87 L125 H128 I131	F80-A84 WeakPolarHBondContact O-CB 3.25Å; F80-A84 PolarHBondContact O-N 3.18Å; I81-A84 PolarHBondContact O-N 3.27Å; A84-S87 PolarHBondContact O-OG 3.27Å; A84-L125 HydrophobicContact CB-CD2 3.85Å; A84-H128 HydrophobicContact CB-CB 3.97Å; A84-I131 HydrophobicContact CB-CD1 4.31Å
85	L	84.9	Confident	84.2	Confident	2 Å²	2	74.3 Å²	74.3	1%	0.01	38%	0.376	C	S	.	.	H	α-helix	trans	-80.4	-19.9	177.6	-64.7	176.6	0	0	0	113.2	I81 S87 S88 I90 W93 L125	I81-L85 HydrophobicContact CG2-CD1 3.71Å; I81-L85 HydrophobicContact CG2-CG 4.35Å; I81-L85 WeakPolarHBondContact O-CB 3.49Å; I81-L85 WeakPolarHBondContact O-CG 3.36Å; I81-L85 PolarHBondContact O-N 2.82Å; L85-S87 PolarHBondContact O-N 2.95Å; L85-S88 PolarHBondContact O-N 3.23Å; L85-S88 PolarHBondContact O-OG 3.12Å; L85-I90 HydrophobicContact CD2-CD1 3.75Å; L85-W93 HydrophobicContact CD1-CB 4.18Å; L85-W93 HydrophobicContact CD1-CD2 3.47Å; L85-W93 VanDerWaalsContact CD1-CD2 3.47Å; L85-W93 HydrophobicContact CD1-CE3 4.03Å; L85-W93 HydrophobicContact CD1-CG 3.5Å; L85-W93 VanDerWaalsContact CD1-CG 3.5Å; L85-W93 HydrophobicContact CD1-CZ2 4.32Å; L85-L125 HydrophobicContact CD1-CD2 4.31Å; L85-L125 HydrophobicContact CD2-CD1 4.31Å; L85-L125 HydrophobicContact CD2-CD2 3.69Å; L85-L125 HydrophobicContact CD2-CG 3.86Å; L85-L125 HydrophobicContact CG-CD2 3.73Å; L85-L125 HydrophobicContact CG-CG 4.44Å
86	K	80.3	Confident	84.1	Confident	183 Å²	183	68.4 Å²	68.4	80%	0.796	35%	0.353	S	S	*	.	H	α-helix	trans	-63.6	-26.5	177.9	-168.5	176.5	-177.9	-175	0	113.2	S82 S83 S88	S82-K86 VanDerWaalsContact O-CB 3.29Å; S82-K86 WeakPolarHBondContact O-CB 3.47Å; S82-K86 PolarHBondContact O-N 3.38Å; S83-K86 PolarHBondContact O-N 3.41Å; K86-S88 VanDerWaalsContact C-N 3.26Å
87	S	66.6	Low	83.9	Confident	100 Å²	100	71.7 Å²	71.7	70%	0.699	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	0.8	174.4	39.9	0	0	0	0	113.9	A84 L85	A84-S87 PolarHBondContact O-OG 3.27Å; L85-S87 PolarHBondContact O-N 2.95Å
88	S	68.5	Low	83.6	Confident	24 Å²	24	72.8 Å²	72.8	17%	0.168	38%	0.376	C	S	.	.	S	Bend	trans	-118.9	158.7	-178.8	69.6	0	0	0	0	111.5	L85 K86 I90	L85-S88 PolarHBondContact O-N 3.23Å; L85-S88 PolarHBondContact O-OG 3.12Å; K86-S88 VanDerWaalsContact C-N 3.26Å; S88-I90 PolarHBondContact O-N 2.78Å
89	D	68.4	Low	83.2	Confident	154 Å²	154	77.8 Å²	77.8	82%	0.824	40%	0.399	S	S	*	.	S	Bend	trans	-71.2	16.7	174.4	-65.1	-35.5	0	0	0	113.4	E91 Q118	D89-E91 PolarHBondContact O-N 3.34Å; D89-Q118 PolarHBondContact O-NE2 3.02Å
90	I	70.8	Confident	82.9	Confident	12 Å²	12	72.6 Å²	72.6	6%	0.062	38%	0.378	C	S	.	.			trans	-84.3	98.1	-179.2	-61.1	171.3	0	0	0	110.8	L85 S88 W93 I114 Q118 G121	L85-I90 HydrophobicContact CD2-CD1 3.75Å; S88-I90 PolarHBondContact O-N 2.78Å; I90-W93 HydrophobicContact CG2-CB 4.19Å; I90-W93 HydrophobicContact CG2-CG 4.45Å; I90-I114 HydrophobicContact CG2-CG2 4.38Å; I90-Q118 HydrophobicContact CG1-CB 3.93Å; I90-G121 WeakPolarHBondContact CD1-O 3.42Å
91	E	68.8	Low	82.6	Confident	172 Å²	172	72.7 Å²	72.7	80%	0.804	38%	0.383	S	S	*	.			trans	-90.8	-24.2	175.7	-62.2	-172	164.3	0	0	113.1	D89	D89-E91 PolarHBondContact O-N 3.34Å
92	N	78.9	Confident	82.3	Confident	107 Å²	107	73 Å²	73	57%	0.572	39%	0.385	S	S	*	.			trans	-114.3	81.5	-171.2	-77.8	-40	0	0	0	112.7
93	W	86.9	Confident	81.9	Confident	72 Å²	72	72.9 Å²	72.9	27%	0.273	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	154.1	171.9	67.2	-84.2	0	0	0	111.4	I81 L85 I90 I95 Q113 I114	I81-W93 HydrophobicContact CB-CH2 4.31Å; I81-W93 HydrophobicContact CB-CZ3 4.31Å; I81-W93 HydrophobicContact CG2-CE3 3.93Å; I81-W93 HydrophobicContact CG2-CH2 3.73Å; I81-W93 HydrophobicContact CG2-CZ2 4.37Å; I81-W93 HydrophobicContact CG2-CZ3 3.46Å; I81-W93 VanDerWaalsContact CG2-CZ3 3.46Å; L85-W93 HydrophobicContact CD1-CB 4.18Å; L85-W93 HydrophobicContact CD1-CD2 3.47Å; L85-W93 VanDerWaalsContact CD1-CD2 3.47Å; L85-W93 HydrophobicContact CD1-CE3 4.03Å; L85-W93 HydrophobicContact CD1-CG 3.5Å; L85-W93 VanDerWaalsContact CD1-CG 3.5Å; L85-W93 HydrophobicContact CD1-CZ2 4.32Å; I90-W93 HydrophobicContact CG2-CB 4.19Å; I90-W93 HydrophobicContact CG2-CG 4.45Å; W93-I95 HydrophobicContact CZ3-CD1 4.13Å; W93-I95 HydrophobicContact CZ3-CG1 3.83Å; W93-Q113 VanDerWaalsContact CA-O 3.3Å; W93-Q113 WeakPolarHBondContact CA-O 3.5Å; W93-I114 HydrophobicContact CB-CG1 4.24Å
94	R	90.7	Very high	81.6	Confident	162 Å²	162	76.3 Å²	76.3	61%	0.611	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.8	152.4	173.2	67.3	177.3	-175.7	-178.3	0.8	112.1	I112 Q113	R94-I112 CarbonylContact O-C 3.59Å; R94-I112 WeakPolarHBondContact O-CA 3.15Å; R94-Q113 HydrophobicContact CG-CB 3.97Å; R94-Q113 PolarHBondContact N-O 2.93Å; R94-Q113 PolarHBondContact O-N 3.03Å
95	I	91.1	Very high	81.7	Confident	48 Å²	48	80.9 Å²	80.9	25%	0.246	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	130.8	170.2	-67	169.5	0	0	0	108.6	I81 W93 E110 I112	I81-I95 HydrophobicContact CD1-CD1 4.43Å; W93-I95 HydrophobicContact CZ3-CD1 4.13Å; W93-I95 HydrophobicContact CZ3-CG1 3.83Å; I95-E110 HydrophobicContact CB-CG 4.43Å; I95-E110 HydrophobicContact CD1-CG 4.27Å; I95-E110 HydrophobicContact CG1-CG 4.14Å; I95-E110 HydrophobicContact CG2-CG 3.5Å; I95-E110 VanDerWaalsContact CG2-CG 3.5Å; I95-I112 HydrophobicContact CG1-CG2 4.32Å
96	V	90.6	Very high	82	Confident	33 Å²	33	83.9 Å²	83.9	20%	0.2	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-74.6	121.5	173.8	-179.8	0	0	0	0	108.2	E63 R98 V111 Q113	E63-V96 HydrophobicContact CG-CG2 4.29Å; V96-R98 PolarHBondContact O-N 3.49Å; V96-V111 HydrophobicContact CB-CB 4.09Å; V96-V111 HydrophobicContact CB-CG1 4Å; V96-V111 HydrophobicContact CG2-CB 4.44Å; V96-V111 HydrophobicContact CG2-CG1 3.87Å; V96-V111 PolarHBondContact N-O 3Å; V96-Q113 HydrophobicContact CG2-CB 4.19Å
97	P	87.8	Confident	82.5	Confident	94 Å²	94	75.2 Å²	75.2	61%	0.61	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-68.8	128.6	-176.9	27.3	-33.7	0	0	0	111.1	N99	P97-N99 PolarHBondContact O-N 3.37Å
98	R	87.3	Confident	83.8	Confident	27 Å²	27	71.5 Å²	71.5	10%	0.102	37%	0.369	C	S	.	.			trans	-98.4	83.5	177.3	-60.2	-175.2	-61.9	107.4	-6.6	109.5	V96 N100 S103 E110 D299	V96-R98 PolarHBondContact O-N 3.49Å; R98-N100 VanDerWaalsContact C-N 3.34Å; R98-N100 PolarHBondContact O-N 3.04Å; R98-N100 VanDerWaalsContact O-N 3.12Å; R98-S103 WeakPolarHBondContact O-CB 3.29Å; R98-E110 IonicContact CZ-OE1 2.77Å; R98-E110 IonicContact NE-OE1 3.8Å; R98-E110 PolarHBondContact NE-OE1 3.31Å; R98-E110 IonicContact NH2-OE1 3.7Å; R98-D299 WeakPolarHBondContact CD-OD2 3.49Å; R98-D299 IonicContact CZ-OD1 3.37Å; R98-D299 IonicContact CZ-OD2 2.77Å; R98-D299 IonicContact NH1-OD1 3.42Å; R98-D299 PolarHBondContact NH1-OD1 3.18Å; R98-D299 IonicContact NH1-OD2 2.82Å; R98-D299 PolarHBondContact NH1-OD2 3.29Å
99	N	83.6	Confident	85	Confident	150 Å²	150	70.5 Å²	70.5	80%	0.802	36%	0.361	S	S	*	.			trans	-86.1	71.3	-178.2	-65.7	-23.3	0	0	0	111.1	P97	P97-N99 PolarHBondContact O-N 3.37Å
100	N	86.5	Confident	86.2	Confident	19 Å²	19	63.6 Å²	63.6	10%	0.102	32%	0.324	C	S	.	.	S	Bend	trans	-140.1	171.4	-178.4	62.7	40.6	0	0	0	110.4	R98 A102 S103 W245 D299	R98-N100 VanDerWaalsContact C-N 3.34Å; R98-N100 PolarHBondContact O-N 3.04Å; R98-N100 VanDerWaalsContact O-N 3.12Å; N100-A102 PolarHBondContact O-N 3.31Å; N100-A102 WeakPolarHBondContact OD1-CB 3.38Å; N100-A102 PolarHBondContact OD1-N 2.9Å; N100-S103 VanDerWaalsContact O-CB 3.29Å; N100-S103 WeakPolarHBondContact O-CB 3.1Å; N100-S103 PolarHBondContact O-N 3.38Å; N100-S103 PolarHBondContact O-OG 2.94Å; N100-S103 PolarHBondContact OD1-N 3.39Å; N100-W245 HydrophobicContact CB-CE3 3.81Å; N100-W245 HydrophobicContact CB-CZ3 3.86Å; N100-W245 WeakPolarHBondContact OD1-CZ3 3.37Å; N100-D299 PolarHBondContact ND2-OD2 3.01Å
101	P	85.4	Confident	87.3	Confident	45 Å²	45	63.2 Å²	63.2	29%	0.292	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-15.2	-177.8	-26.8	36.5	0	0	0	115.7	Y105 T243 W245 Y303	P101-Y105 WeakPolarHBondContact O-CE2 3.19Å; P101-T243 HydrophobicContact CG-CG2 4.09Å; P101-W245 HydrophobicContact CB-CH2 4.09Å; P101-W245 HydrophobicContact CG-CH2 4.38Å; P101-Y303 HydrophobicContact CB-CD2 4.27Å; P101-Y303 HydrophobicContact CB-CE1 4.47Å; P101-Y303 HydrophobicContact CB-CE2 3.77Å
102	A	85.3	Confident	88.4	Confident	5 Å²	5	55 Å²	55	4%	0.041	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-9.3	176.1	0	0	0	0	0	113.4	N100 D104 Y105 W245 D299	N100-A102 PolarHBondContact O-N 3.31Å; N100-A102 WeakPolarHBondContact OD1-CB 3.38Å; N100-A102 PolarHBondContact OD1-N 2.9Å; A102-D104 PolarHBondContact O-N 3.24Å; A102-D104 VanDerWaalsContact O-N 3.16Å; A102-Y105 PolarHBondContact O-N 2.87Å; A102-Y105 VanDerWaalsContact O-N 3.1Å; A102-W245 HydrophobicContact CB-CH2 3.87Å; A102-W245 HydrophobicContact CB-CZ3 3.67Å; A102-D299 HydrophobicContact CB-CB 4.27Å
103	S	82.4	Confident	88.9	Confident	49 Å²	49	51.7 Å²	51.7	34%	0.343	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-33	-175.5	65	0	0	0	0	114	R98 N100 Y105	R98-S103 WeakPolarHBondContact O-CB 3.29Å; N100-S103 VanDerWaalsContact O-CB 3.29Å; N100-S103 WeakPolarHBondContact O-CB 3.1Å; N100-S103 PolarHBondContact O-N 3.38Å; N100-S103 PolarHBondContact O-OG 2.94Å; N100-S103 PolarHBondContact OD1-N 3.39Å; S103-Y105 VanDerWaalsContact C-N 3.27Å; S103-Y105 PolarHBondContact O-N 3.3Å
104	D	81.8	Confident	88.8	Confident	140 Å²	140	48.4 Å²	48.4	75%	0.749	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-7.1	-174.1	-60.1	-19.1	0	0	0	112.6	A102	A102-D104 PolarHBondContact O-N 3.24Å; A102-D104 VanDerWaalsContact O-N 3.16Å
105	Y	88.3	Confident	88.2	Confident	100 Å²	100	44.9 Å²	44.9	39%	0.392	25%	0.246	S	C	.	.	S	Bend	trans	-107.3	154.6	-176.6	-60.2	-86.4	0	0	0	111.5	P101 A102 S103 Y303 L306	P101-Y105 WeakPolarHBondContact O-CE2 3.19Å; A102-Y105 PolarHBondContact O-N 2.87Å; A102-Y105 VanDerWaalsContact O-N 3.1Å; S103-Y105 VanDerWaalsContact C-N 3.27Å; S103-Y105 PolarHBondContact O-N 3.3Å; Y105-Y303 HydrophobicContact CE2-CE2 4.22Å; Y105-L306 HydrophobicContact CD1-CD1 3.92Å; Y105-L306 HydrophobicContact CD1-CD2 4.41Å; Y105-L306 HydrophobicContact CD2-CD1 4.09Å; Y105-L306 HydrophobicContact CG-CD1 3.61Å
106	P	91.4	Very high	86.7	Confident	65 Å²	65	49 Å²	49	42%	0.422	26%	0.264	S	S	.	.			trans	-53.6	142.1	167.6	-25.1	35.7	0	0	0	110.8	Y71 F72	Y71-P106 WeakPolarHBondContact CD1-O 2.89Å; F72-P106 WeakPolarHBondContact O-CA 3.15Å
107	S	92.1	Very high	85.2	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.014	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	156.4	176.5	-176.2	0	0	0	0	109.3	F72 R77 F109	F72-S107 PolarHBondContact N-O 3.3Å; F72-S107 PolarHBondContact O-N 3.15Å; F72-S107 VanDerWaalsContact O-N 3.14Å; R77-S107 VanDerWaalsContact CD-O 3.28Å; R77-S107 WeakPolarHBondContact CD-O 3.47Å; S107-F109 WeakPolarHBondContact OG-CD1 3.39Å; S107-F109 PolarHBondContact OG-N 3.37Å; S107-F109 PolarHBondContact OG-O 2.91Å
108	D	92.9	Very high	83.9	Confident	22 Å²	22	55.1 Å²	55.1	12%	0.118	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	2.7	175.9	68.9	-50.3	0	0	0	112.6	A67 F68 G70 Y71 N302 K329	A67-D108 CarbonylContact C-O 3.32Å; F68-D108 WeakPolarHBondContact CD2-O 3.34Å; F68-D108 PolarHBondContact N-O 3.14Å; G70-D108 WeakPolarHBondContact O-CA 3.44Å; Y71-D108 HydrophobicContact CD1-CB 4.27Å; Y71-D108 HydrophobicContact CD2-CB 4.46Å; Y71-D108 HydrophobicContact CE1-CB 4.18Å; Y71-D108 HydrophobicContact CE2-CB 4.39Å; Y71-D108 HydrophobicContact CG-CB 4.41Å; D108-N302 PolarHBondContact OD1-ND2 2.94Å; D108-K329 IonicContact OD1-NZ 2.95Å; D108-K329 PolarHBondContact OD1-NZ 3.33Å; D108-K329 IonicContact OD2-NZ 3.9Å; D108-K329 PolarHBondContact OD2-NZ 3.35Å
109	F	94.1	Very high	82.5	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.009	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	157.2	175.1	79.3	-82.1	0	0	0	112.2	I65 V66 R77 S107 V111 L298 D299	I65-F109 HydrophobicContact CG2-CB 4.01Å; I65-F109 HydrophobicContact CG2-CD2 3.89Å; I65-F109 HydrophobicContact CG2-CG 4.27Å; V66-F109 CarbonylContact O-C 3.4Å; V66-F109 WeakPolarHBondContact O-CA 3.48Å; R77-F109 PolarHBondContact NH1-O 3.45Å; S107-F109 WeakPolarHBondContact OG-CD1 3.39Å; S107-F109 PolarHBondContact OG-N 3.37Å; S107-F109 PolarHBondContact OG-O 2.91Å; F109-V111 HydrophobicContact CD2-CG2 4.4Å; F109-V111 HydrophobicContact CE2-CG2 4.08Å; F109-L298 HydrophobicContact CD1-CB 3.89Å; F109-L298 HydrophobicContact CD1-CD1 4.08Å; F109-L298 HydrophobicContact CD2-CD1 4.07Å; F109-L298 HydrophobicContact CE1-CB 3.36Å; F109-L298 HydrophobicContact CE1-CD1 4.24Å; F109-L298 HydrophobicContact CE1-CG 4.45Å; F109-L298 HydrophobicContact CE2-CB 4.35Å; F109-L298 HydrophobicContact CE2-CD1 4.22Å; F109-L298 HydrophobicContact CG-CD1 3.99Å; F109-L298 HydrophobicContact CZ-CB 3.62Å; F109-L298 HydrophobicContact CZ-CD1 4.29Å; F109-D299 VanDerWaalsContact CE1-OD1 3.23Å; F109-D299 WeakPolarHBondContact CE1-OD1 3.36Å; F109-D299 HydrophobicContact CZ-CB 4.39Å; F109-D299 WeakPolarHBondContact CZ-OD1 3.33Å
110	E	93.6	Very high	81.5	Confident	10 Å²	10	59.1 Å²	59.1	5%	0.047	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	151	167	-164.6	62.2	-78.1	0	0	110.3	I65 V66 F68 R77 I81 I95 R98	I65-E110 WeakPolarHBondContact CA-O 3.37Å; V66-E110 PolarHBondContact N-O 3.38Å; V66-E110 PolarHBondContact O-N 3.4Å; F68-E110 HydrophobicContact CE2-CB 4.07Å; R77-E110 IonicContact CZ-OE2 3.55Å; R77-E110 VanDerWaalsContact NH1-CB 3.29Å; R77-E110 IonicContact NH1-OE1 2.81Å; R77-E110 PolarHBondContact NH1-OE1 2.77Å; R77-E110 IonicContact NH1-OE2 3.62Å; R77-E110 PolarHBondContact NH1-OE2 3.21Å; R77-E110 IonicContact NH2-OE2 3.09Å; R77-E110 PolarHBondContact NH2-OE2 3.32Å; I81-E110 HydrophobicContact CD1-CB 3.95Å; I81-E110 HydrophobicContact CD1-CG 4.13Å; I95-E110 HydrophobicContact CB-CG 4.43Å; I95-E110 HydrophobicContact CD1-CG 4.27Å; I95-E110 HydrophobicContact CG1-CG 4.14Å; I95-E110 HydrophobicContact CG2-CG 3.5Å; I95-E110 VanDerWaalsContact CG2-CG 3.5Å; R98-E110 IonicContact CZ-OE1 2.77Å; R98-E110 IonicContact NE-OE1 3.8Å; R98-E110 PolarHBondContact NE-OE1 3.31Å; R98-E110 IonicContact NH2-OE1 3.7Å
111	V	92.8	Very high	80.5	Confident	4 Å²	4	58.6 Å²	58.6	2%	0.024	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	123.7	170.4	-175.2	0	0	0	0	109.1	E63 Y64 V96 F109	E63-V111 HydrophobicContact CB-CG1 4.21Å; Y64-V111 CarbonylContact O-C 3.57Å; Y64-V111 WeakPolarHBondContact O-CA 3.37Å; V96-V111 HydrophobicContact CB-CB 4.09Å; V96-V111 HydrophobicContact CB-CG1 4Å; V96-V111 HydrophobicContact CG2-CB 4.44Å; V96-V111 HydrophobicContact CG2-CG1 3.87Å; V96-V111 PolarHBondContact N-O 3Å; F109-V111 HydrophobicContact CD2-CG2 4.4Å; F109-V111 HydrophobicContact CE2-CG2 4.08Å
112	I	92.1	Very high	79.8	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	150.7	176.8	66.7	172.9	0	0	0	110.2	E63 Y64 V66 I81 R94 I95 I114 L125	E63-I112 CarbonylContact C-O 3.17Å; E63-I112 VanDerWaalsContact CA-O 3.28Å; E63-I112 WeakPolarHBondContact CA-O 3.39Å; Y64-I112 PolarHBondContact N-O 3.44Å; Y64-I112 PolarHBondContact O-N 3.31Å; V66-I112 HydrophobicContact CG2-CD1 3.64Å; V66-I112 HydrophobicContact CG2-CG1 3.92Å; V66-I112 HydrophobicContact CG2-CG2 4.1Å; I81-I112 HydrophobicContact CD1-CG2 3.78Å; I81-I112 HydrophobicContact CG2-CG2 4.22Å; R94-I112 CarbonylContact O-C 3.59Å; R94-I112 WeakPolarHBondContact O-CA 3.15Å; I95-I112 HydrophobicContact CG1-CG2 4.32Å; I112-I114 HydrophobicContact CD1-CD1 3.57Å; I112-I114 HydrophobicContact CD1-CG1 3.99Å; I112-I114 HydrophobicContact CG1-CD1 4.35Å; I112-I114 HydrophobicContact CG1-CG1 4.39Å; I112-L125 HydrophobicContact CD1-CD1 3.45Å; I112-L125 VanDerWaalsContact CD1-CD1 3.45Å
113	Q	90.2	Very high	79.3	Confident	37 Å²	37	62.5 Å²	62.5	17%	0.173	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123.3	171.2	-167.3	175.1	18	0	0	110.1	H62 E63 W93 R94 V96	H62-Q113 HydrophobicContact CB-CG 3.94Å; H62-Q113 CarbonylContact O-C 3.54Å; H62-Q113 WeakPolarHBondContact O-CA 3.43Å; E63-Q113 HydrophobicContact CG-CG 4.38Å; W93-Q113 VanDerWaalsContact CA-O 3.3Å; W93-Q113 WeakPolarHBondContact CA-O 3.5Å; R94-Q113 HydrophobicContact CG-CB 3.97Å; R94-Q113 PolarHBondContact N-O 2.93Å; R94-Q113 PolarHBondContact O-N 3.03Å; V96-Q113 HydrophobicContact CG2-CB 4.19Å
114	I	85.2	Confident	79.2	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.015	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.8	179.8	-59.4	171.6	0	0	0	109.2	H62 Y64 I90 W93 I112 Q118 V122 L125	H62-I114 WeakPolarHBondContact CB-O 3.39Å; H62-I114 PolarHBondContact CD2-O 3.34Å; H62-I114 PolarHBondContact O-N 3.46Å; Y64-I114 HydrophobicContact CD2-CB 4.48Å; Y64-I114 HydrophobicContact CD2-CD1 4.22Å; Y64-I114 HydrophobicContact CD2-CG1 4.46Å; Y64-I114 HydrophobicContact CE2-CB 4.24Å; Y64-I114 HydrophobicContact CE2-CD1 4.46Å; I90-I114 HydrophobicContact CG2-CG2 4.38Å; W93-I114 HydrophobicContact CB-CG1 4.24Å; I112-I114 HydrophobicContact CD1-CD1 3.57Å; I112-I114 HydrophobicContact CD1-CG1 3.99Å; I112-I114 HydrophobicContact CG1-CD1 4.35Å; I112-I114 HydrophobicContact CG1-CG1 4.39Å; I114-Q118 HydrophobicContact CG2-CB 4.48Å; I114-V122 HydrophobicContact CD1-CG2 4.11Å; I114-L125 HydrophobicContact CD1-CD1 4.29Å
115	N	78.5	Confident	79.3	Confident	87 Å²	87	55.2 Å²	55.2	47%	0.465	27%	0.272	S	S	.	.			trans	-70.1	157	-178.1	-83.7	-16.6	0	0	0	114.8	K117 Q118	N115-K117 VanDerWaalsContact C-N 3.31Å; N115-K117 PolarHBondContact O-N 2.92Å; N115-K117 VanDerWaalsContact O-N 3.1Å; N115-Q118 PolarHBondContact O-N 3.22Å
116	E	59.6	Low	79	Confident	134 Å²	134	54.8 Å²	54.8	63%	0.626	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-56.2	-28.5	-166.4	-151.3	170.4	-168.5	0	0	116.6	H62 Q118	H62-E116 PolarHBondContact CD2-N 3.07Å; H62-E116 WeakPolarHBondContact NE2-CA 3.48Å; H62-E116 VanDerWaalsContact NE2-CB 3.26Å; H62-E116 WeakPolarHBondContact NE2-CB 3.26Å; H62-E116 WeakPolarHBondContact NE2-CG 3.38Å; H62-E116 PolarHBondContact NE2-N 3.48Å; E116-Q118 VanDerWaalsContact C-N 3.32Å; E116-Q118 PolarHBondContact O-N 3.43Å
117	K	58	Low	78.7	Confident	207 Å²	207	58.1 Å²	58.1	90%	0.9	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-82.7	-0.5	-174.5	-65.9	-172.8	178.8	-177.2	0	114.7	N115	N115-K117 VanDerWaalsContact C-N 3.31Å; N115-K117 PolarHBondContact O-N 2.92Å; N115-K117 VanDerWaalsContact O-N 3.1Å
118	Q	60.2	Low	78.5	Confident	49 Å²	49	59.5 Å²	59.5	23%	0.229	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-133.9	35.5	-166.7	-54	-174	-54.3	0	0	113.9	D89 I90 I114 N115 E116 D120 G121	D89-Q118 PolarHBondContact O-NE2 3.02Å; I90-Q118 HydrophobicContact CG1-CB 3.93Å; I114-Q118 HydrophobicContact CG2-CB 4.48Å; N115-Q118 PolarHBondContact O-N 3.22Å; E116-Q118 VanDerWaalsContact C-N 3.32Å; E116-Q118 PolarHBondContact O-N 3.43Å; Q118-D120 PolarHBondContact O-N 3.4Å; Q118-G121 PolarHBondContact O-N 3.43Å
119	K	59.4	Low	78.3	Confident	121 Å²	121	63.2 Å²	63.2	53%	0.526	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-57.5	-31.6	178.3	-73.5	-176.6	178.2	176.4	0	113.3	G121 V122	K119-G121 PolarHBondContact O-N 3.06Å; K119-V122 WeakPolarHBondContact O-CB 3.29Å; K119-V122 WeakPolarHBondContact O-CG2 3.03Å; K119-V122 PolarHBondContact O-N 3.07Å; K119-V122 VanDerWaalsContact O-N 3.12Å
120	D	62.4	Low	78.2	Confident	140 Å²	140	65.8 Å²	65.8	75%	0.749	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-63.6	-25.9	-178.5	-65.2	-22.5	0	0	0	113.5	Q118 V122 L123	Q118-D120 PolarHBondContact O-N 3.4Å; D120-V122 VanDerWaalsContact C-N 3.28Å; D120-V122 PolarHBondContact O-N 3.38Å; D120-L123 PolarHBondContact O-N 3.22Å
121	G	63.8	Low	78	Confident	8 Å²	8	65.8 Å²	65.8	8%	0.082	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-86.4	9.6	177.3	0	0	0	0	0	114.6	I90 Q118 K119 L123 T124	I90-G121 WeakPolarHBondContact CD1-O 3.42Å; Q118-G121 PolarHBondContact O-N 3.43Å; K119-G121 PolarHBondContact O-N 3.06Å; G121-L123 VanDerWaalsContact C-N 3.3Å; G121-T124 PolarHBondContact O-OG1 3.44Å
122	V	72.4	Confident	77.8	Confident	21 Å²	21	70.6 Å²	70.6	13%	0.127	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-70	-33.7	162.4	176.3	0	0	0	0	110.3	Y64 I114 K119 D120 T124 L125 V134	Y64-V122 HydrophobicContact CD1-CG1 4.39Å; Y64-V122 HydrophobicContact CD1-CG2 4.42Å; Y64-V122 HydrophobicContact CE1-CG1 4.42Å; Y64-V122 HydrophobicContact CE1-CG2 4Å; Y64-V122 HydrophobicContact CE2-CG2 4.1Å; I114-V122 HydrophobicContact CD1-CG2 4.11Å; K119-V122 WeakPolarHBondContact O-CB 3.29Å; K119-V122 WeakPolarHBondContact O-CG2 3.03Å; K119-V122 PolarHBondContact O-N 3.07Å; K119-V122 VanDerWaalsContact O-N 3.12Å; D120-V122 VanDerWaalsContact C-N 3.28Å; D120-V122 PolarHBondContact O-N 3.38Å; V122-T124 VanDerWaalsContact C-N 3.29Å; V122-T124 PolarHBondContact O-N 2.62Å; V122-L125 WeakPolarHBondContact O-CB 3.39Å; V122-L125 PolarHBondContact O-N 3.31Å; V122-V134 HydrophobicContact CG1-CB 4.21Å; V122-V134 HydrophobicContact CG1-CG1 3.81Å
123	L	73.9	Confident	77.6	Confident	112 Å²	112	73.9 Å²	73.9	59%	0.586	37%	0.367	S	S	*	.	H	α-helix	trans	-63.9	-33.9	179.5	-65.6	168.7	0	0	0	112	D120 G121 L125 E126	D120-L123 PolarHBondContact O-N 3.22Å; G121-L123 VanDerWaalsContact C-N 3.3Å; L123-L125 PolarHBondContact O-N 2.93Å; L123-E126 WeakPolarHBondContact O-CB 3.38Å; L123-E126 PolarHBondContact O-N 2.65Å
124	T	80.9	Confident	77.5	Confident	35 Å²	35	72.6 Å²	72.6	22%	0.215	36%	0.362	C	S	.	.	H	α-helix	trans	-67.9	-21.6	179.1	62.4	0	0	0	0	113.3	G121 V122 E126	G121-T124 PolarHBondContact O-OG1 3.44Å; V122-T124 VanDerWaalsContact C-N 3.29Å; V122-T124 PolarHBondContact O-N 2.62Å; T124-E126 VanDerWaalsContact C-N 3.34Å
125	L	83.6	Confident	77.4	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-70.9	-33.8	172.9	-68.1	169.4	0	0	0	111.4	V66 I81 A84 L85 I112 I114 V122 L123 D127 H128 I131 V134	V66-L125 HydrophobicContact CG2-CD1 4.28Å; I81-L125 HydrophobicContact CG2-CD2 4.32Å; A84-L125 HydrophobicContact CB-CD2 3.85Å; L85-L125 HydrophobicContact CD1-CD2 4.31Å; L85-L125 HydrophobicContact CD2-CD1 4.31Å; L85-L125 HydrophobicContact CD2-CD2 3.69Å; L85-L125 HydrophobicContact CD2-CG 3.86Å; L85-L125 HydrophobicContact CG-CD2 3.73Å; L85-L125 HydrophobicContact CG-CG 4.44Å; I112-L125 HydrophobicContact CD1-CD1 3.45Å; I112-L125 VanDerWaalsContact CD1-CD1 3.45Å; I114-L125 HydrophobicContact CD1-CD1 4.29Å; V122-L125 WeakPolarHBondContact O-CB 3.39Å; V122-L125 PolarHBondContact O-N 3.31Å; L123-L125 PolarHBondContact O-N 2.93Å; L125-D127 VanDerWaalsContact C-N 3.28Å; L125-D127 PolarHBondContact O-N 3.16Å; L125-H128 PolarHBondContact O-N 3.37Å; L125-I131 HydrophobicContact CB-CD1 4.28Å; L125-I131 HydrophobicContact CD2-CD1 4.14Å; L125-I131 WeakPolarHBondContact O-CB 3.22Å; L125-I131 VanDerWaalsContact O-CD1 3.28Å; L125-I131 WeakPolarHBondContact O-CD1 3.44Å; L125-I131 WeakPolarHBondContact O-CG2 3.38Å; L125-V134 HydrophobicContact CB-CG2 3.55Å; L125-V134 HydrophobicContact CD1-CG1 4.32Å; L125-V134 HydrophobicContact CD1-CG2 4.06Å; L125-V134 HydrophobicContact CG-CG2 4.45Å
126	E	81.6	Confident	77.7	Confident	91 Å²	91	71.8 Å²	71.8	43%	0.425	36%	0.361	S	S	.	.	H	α-helix	trans	-72	-24.8	-179	-58.1	-167.6	141.2	0	0	112.2	L123 T124 H128 V134	L123-E126 WeakPolarHBondContact O-CB 3.38Å; L123-E126 PolarHBondContact O-N 2.65Å; T124-E126 VanDerWaalsContact C-N 3.34Å; E126-H128 PolarHBondContact O-N 3.35Å; E126-V134 HydrophobicContact CG-CB 4.31Å; E126-V134 HydrophobicContact CG-CG2 4.17Å
127	D	85	Confident	78.8	Confident	135 Å²	135	65.5 Å²	65.5	72%	0.722	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-14.6	176.6	-67	-29.6	0	0	0	113.7	L125	L125-D127 VanDerWaalsContact C-N 3.28Å; L125-D127 PolarHBondContact O-N 3.16Å
128	H	87.6	Confident	80	Confident	31 Å²	31	58.2 Å²	58.2	14%	0.144	30%	0.299	C	S	.	.	S	Bend	trans	-79.6	129.8	-175.8	-174.1	-80.7	0	0	0	111.9	F80 A84 L125 E126 N130 I131	F80-H128 AromaticContact CD1-CE1 3.99Å; A84-H128 HydrophobicContact CB-CB 3.97Å; L125-H128 PolarHBondContact O-N 3.37Å; E126-H128 PolarHBondContact O-N 3.35Å; H128-N130 VanDerWaalsContact C-N 3.26Å; H128-N130 PolarHBondContact ND1-N 3.25Å; H128-N130 PolarHBondContact O-N 3.32Å; H128-I131 HydrophobicContact CB-CB 4.26Å; H128-I131 HydrophobicContact CB-CD1 3.92Å; H128-I131 HydrophobicContact CB-CG1 4.08Å; H128-I131 PolarHBondContact O-N 2.91Å
129	P	89.6	Confident	80.9	Confident	100 Å²	100	58.2 Å²	58.2	65%	0.649	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.7	-168.8	24.9	-36.3	0	0	0	115.6	N69	N69-P129 PolarHBondContact ND2-O 3.03Å
130	N	91.4	Very high	81.8	Confident	57 Å²	57	52.9 Å²	52.9	31%	0.305	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-7.1	176.8	-63.7	-41.6	0	0	0	113.9	F68 N69 F80 H128	F68-N130 WeakPolarHBondContact CA-O 3.31Å; N69-N130 PolarHBondContact N-O 3.4Å; F80-N130 HydrophobicContact CD2-CB 4.27Å; F80-N130 HydrophobicContact CE2-CB 4.27Å; H128-N130 VanDerWaalsContact C-N 3.26Å; H128-N130 PolarHBondContact ND1-N 3.25Å; H128-N130 PolarHBondContact O-N 3.32Å
131	I	90.8	Very high	82.4	Confident	9 Å²	9	49.1 Å²	49.1	5%	0.046	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	122.9	175.5	-66.4	179.4	0	0	0	106.6	V66 A67 F68 A84 L125 H128 V134	V66-I131 HydrophobicContact CG1-CD1 3.81Å; V66-I131 HydrophobicContact CG1-CG1 3.95Å; V66-I131 HydrophobicContact CG1-CG2 3.83Å; A67-I131 CarbonylContact O-C 3.55Å; F68-I131 HydrophobicContact CD1-CG1 4.11Å; F68-I131 HydrophobicContact CE1-CG1 3.94Å; A84-I131 HydrophobicContact CB-CD1 4.31Å; L125-I131 HydrophobicContact CB-CD1 4.28Å; L125-I131 HydrophobicContact CD2-CD1 4.14Å; L125-I131 WeakPolarHBondContact O-CB 3.22Å; L125-I131 VanDerWaalsContact O-CD1 3.28Å; L125-I131 WeakPolarHBondContact O-CD1 3.44Å; L125-I131 WeakPolarHBondContact O-CG2 3.38Å; H128-I131 HydrophobicContact CB-CB 4.26Å; H128-I131 HydrophobicContact CB-CD1 3.92Å; H128-I131 HydrophobicContact CB-CG1 4.08Å; H128-I131 PolarHBondContact O-N 2.91Å; I131-V134 HydrophobicContact CG2-CG2 4.02Å
132	K	88.3	Confident	83	Confident	106 Å²	106	49 Å²	49	46%	0.461	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-41.9	179.3	-170.4	-173.1	-177.5	-166.2	0	110.7	A67 N69 D328	A67-K132 HydrophobicContact CB-CB 4.35Å; A67-K132 PolarHBondContact O-N 3.22Å; N69-K132 WeakPolarHBondContact OD1-CA 3.47Å; N69-K132 VanDerWaalsContact OD1-CB 3.24Å; N69-K132 WeakPolarHBondContact OD1-CB 3.3Å; K132-D328 IonicContact NZ-OD2 2.66Å; K132-D328 PolarHBondContact NZ-OD2 3.39Å
133	R	86.9	Confident	83.2	Confident	68 Å²	68	50.1 Å²	50.1	26%	0.257	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	153.8	-172.9	-153.8	174.9	-48.1	-173.8	19.1	111	A67 T135 H324 D328	A67-R133 PolarHBondContact N-O 3.08Å; A67-R133 PolarHBondContact O-N 3.5Å; R133-T135 HydrophobicContact CG-CG2 3.98Å; R133-H324 VanDerWaalsContact NH1-CB 3.26Å; R133-H324 VanDerWaalsContact NH1-CG 3.26Å; R133-H324 PolarHBondContact NH1-ND1 3.06Å; R133-D328 IonicContact NH2-OD2 3.74Å; R133-D328 PolarHBondContact NH2-OD2 3.11Å
134	V	87.8	Confident	83.3	Confident	11 Å²	11	45.5 Å²	45.5	7%	0.067	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.1	164	-173.9	0	0	0	0	109.2	Y64 I65 V66 V122 L125 E126 I131	Y64-V134 HydrophobicContact CD1-CG1 4.29Å; Y64-V134 HydrophobicContact CG-CG1 4.33Å; I65-V134 WeakPolarHBondContact O-CA 3.27Å; V66-V134 HydrophobicContact CG1-CG2 4.34Å; V66-V134 HydrophobicContact CG2-CG1 4.29Å; V66-V134 HydrophobicContact CG2-CG2 4.15Å; V122-V134 HydrophobicContact CG1-CB 4.21Å; V122-V134 HydrophobicContact CG1-CG1 3.81Å; L125-V134 HydrophobicContact CB-CG2 3.55Å; L125-V134 HydrophobicContact CD1-CG1 4.32Å; L125-V134 HydrophobicContact CD1-CG2 4.06Å; L125-V134 HydrophobicContact CG-CG2 4.45Å; E126-V134 HydrophobicContact CG-CB 4.31Å; E126-V134 HydrophobicContact CG-CG2 4.17Å; I131-V134 HydrophobicContact CG2-CG2 4.02Å
135	T	84.7	Confident	83	Confident	19 Å²	19	47.8 Å²	47.8	12%	0.117	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	147.2	178.8	57.7	0	0	0	0	110.3	Y64 I65 R133 Q137 P325	Y64-T135 CarbonylContact C-O 3.54Å; Y64-T135 WeakPolarHBondContact CA-O 3.29Å; I65-T135 PolarHBondContact N-O 2.95Å; I65-T135 PolarHBondContact O-N 3.48Å; R133-T135 HydrophobicContact CG-CG2 3.98Å; T135-Q137 PolarHBondContact O-N 3.41Å; T135-P325 HydrophobicContact CG2-CG 4.06Å; T135-P325 WeakPolarHBondContact OG1-CG 3.28Å
136	P	83.4	Confident	82.7	Confident	54 Å²	54	51 Å²	51	35%	0.351	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	136.5	170.6	24	-31.6	0	0	0	110.4	V59	V59-P136 HydrophobicContact CB-CB 4.3Å; V59-P136 HydrophobicContact CG1-CB 3.45Å; V59-P136 VanDerWaalsContact CG1-CB 3.45Å; V59-P136 HydrophobicContact CG1-CG 4.4Å; V59-P136 HydrophobicContact CG2-CB 3.88Å; V59-P136 HydrophobicContact CG2-CG 4.01Å
137	Q	83.6	Confident	82.3	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.009	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	136.9	173.4	168.1	77.3	-23.9	0	0	109.3	V59 V60 E63 I65 T135 Y293 S295	V59-Q137 CarbonylContact C-O 3.49Å; V59-Q137 WeakPolarHBondContact CA-O 3.38Å; V60-Q137 HydrophobicContact CB-CB 4.3Å; V60-Q137 HydrophobicContact CB-CG 4.05Å; V60-Q137 HydrophobicContact CG2-CB 4.44Å; V60-Q137 HydrophobicContact CG2-CG 3.76Å; V60-Q137 PolarHBondContact N-O 2.99Å; E63-Q137 HydrophobicContact CB-CB 3.84Å; E63-Q137 HydrophobicContact CB-CG 4.26Å; E63-Q137 WeakPolarHBondContact O-CB 3.45Å; E63-Q137 PolarHBondContact O-N 2.82Å; I65-Q137 HydrophobicContact CG1-CB 4.07Å; T135-Q137 PolarHBondContact O-N 3.41Å; Q137-Y293 HydrophobicContact CG-CD1 4.3Å; Q137-S295 VanDerWaalsContact NE2-CB 3.32Å; Q137-S295 PolarHBondContact NE2-OG 3.44Å
138	R	81.7	Confident	81.3	Confident	54 Å²	54	50.3 Å²	50.3	20%	0.204	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	147.5	175.6	-55.8	-174.2	84.7	124	1.6	112.7	S57 T58 V59 Y293 T294	S57-R138 PolarHBondContact OG-NE 3.19Å; T58-R138 CarbonylContact O-C 3.01Å; T58-R138 VanDerWaalsContact O-C 3.31Å; T58-R138 WeakPolarHBondContact O-CA 3.28Å; T58-R138 WeakPolarHBondContact O-CB 3.43Å; V59-R138 HydrophobicContact CG2-CG 3.84Å; R138-Y293 CarbonylContact O-C 3.56Å; R138-Y293 VanDerWaalsContact O-CA 3.27Å; R138-Y293 WeakPolarHBondContact O-CA 3.33Å; R138-T294 WeakPolarHBondContact CB-OG1 3.17Å; R138-T294 PolarHBondContact O-N 3.09Å; R138-T294 PolarHBondContact O-OG1 2.79Å
139	K	80.6	Confident	79.3	Confident	48 Å²	48	50.9 Å²	50.9	21%	0.209	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	119.1	172.3	174.8	-169.5	-176.3	-172.5	0	108.1	T58 V60 F141 V291 S292 Y293	T58-K139 WeakPolarHBondContact CA-O 3.21Å; T58-K139 WeakPolarHBondContact CB-O 3.45Å; T58-K139 HydrophobicContact CG2-CD 4.3Å; T58-K139 PolarHBondContact N-O 2.98Å; T58-K139 PolarHBondContact O-N 3.29Å; T58-K139 WeakPolarHBondContact OG1-CB 3.29Å; V60-K139 HydrophobicContact CG2-CB 3.76Å; K139-F141 HydrophobicContact CD-CE2 3.74Å; K139-F141 HydrophobicContact CD-CZ 3.95Å; K139-F141 HydrophobicContact CG-CD2 4.47Å; K139-F141 HydrophobicContact CG-CE2 4.09Å; K139-V291 HydrophobicContact CD-CG1 4.04Å; K139-V291 HydrophobicContact CG-CG1 3.65Å; K139-S292 CarbonylContact C-O 3.53Å; K139-S292 VanDerWaalsContact CA-O 3.25Å; K139-S292 WeakPolarHBondContact CA-O 3.21Å; K139-S292 WeakPolarHBondContact CG-O 3.43Å; K139-Y293 HydrophobicContact CB-CD1 3.79Å; K139-Y293 HydrophobicContact CB-CE1 3.7Å; K139-Y293 HydrophobicContact CB-CG 4.38Å; K139-Y293 HydrophobicContact CD-CE1 4.18Å; K139-Y293 HydrophobicContact CG-CD1 4.26Å; K139-Y293 HydrophobicContact CG-CD2 4.49Å; K139-Y293 HydrophobicContact CG-CE1 3.94Å; K139-Y293 HydrophobicContact CG-CE2 4.16Å
140	V	76.9	Confident	76.8	Confident	10 Å²	10	51.6 Å²	51.6	6%	0.061	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	127.1	-176.9	-177.6	0	0	0	0	109.2	F55 V291 S292	F55-V140 HydrophobicContact CD1-CG1 4.49Å; V140-V291 CarbonylContact O-C 3.59Å; V140-V291 WeakPolarHBondContact O-CA 3.47Å; V140-S292 PolarHBondContact N-O 2.77Å; V140-S292 PolarHBondContact O-N 3.04Å
141	F	75.3	Confident	74	Confident	61 Å²	61	54.9 Å²	54.9	27%	0.268	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	137.1	168.2	-67.6	-97.7	0	0	0	109.7	T56 T58 K139 Q290 V291	T56-F141 PolarHBondContact N-O 3.47Å; T56-F141 PolarHBondContact O-N 3.11Å; T56-F141 WeakPolarHBondContact OG1-CB 3.29Å; T58-F141 HydrophobicContact CG2-CD2 4.24Å; T58-F141 HydrophobicContact CG2-CE2 3.6Å; K139-F141 HydrophobicContact CD-CE2 3.74Å; K139-F141 HydrophobicContact CD-CZ 3.95Å; K139-F141 HydrophobicContact CG-CD2 4.47Å; K139-F141 HydrophobicContact CG-CE2 4.09Å; F141-Q290 WeakPolarHBondContact CA-O 3.5Å; F141-V291 HydrophobicContact CD1-CG2 3.46Å; F141-V291 VanDerWaalsContact CD1-CG2 3.46Å; F141-V291 HydrophobicContact CE1-CG2 3.31Å; F141-V291 HydrophobicContact CG-CG2 4.39Å; F141-V291 HydrophobicContact CZ-CG2 4.15Å
142	R	76.6	Confident	71	Confident	6 Å²	6	59 Å²	59	2%	0.023	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124.2	176	177.2	-178.4	179.5	-153.7	-4.3	108	V53 E54 F55 L144 D226 H257 F286 Q290	V53-R142 HydrophobicContact CG1-CG 3.71Å; E54-R142 CarbonylContact O-C 3.25Å; E54-R142 WeakPolarHBondContact O-CA 3.44Å; F55-R142 HydrophobicContact CD1-CB 4.07Å; F55-R142 HydrophobicContact CD1-CG 4.16Å; F55-R142 HydrophobicContact CE1-CB 3.73Å; F55-R142 HydrophobicContact CE1-CG 3.51Å; F55-R142 HydrophobicContact CZ-CB 4.47Å; F55-R142 HydrophobicContact CZ-CG 3.75Å; R142-L144 HydrophobicContact CG-CG 4.41Å; R142-L144 VanDerWaalsContact CZ-CD2 3.48Å; R142-D226 IonicContact NH1-OD1 2.79Å; R142-H257 PolarHBondContact NH2-CE1 3.05Å; R142-H257 PolarHBondContact NH2-ND1 3.38Å; R142-H257 PolarHBondContact NH2-NE2 2.96Å; R142-H257 VanDerWaalsContact NH2-NE2 3.11Å; R142-F286 HydrophobicContact CB-CD1 4.21Å; R142-F286 HydrophobicContact CB-CE1 3.71Å; R142-F286 HydrophobicContact CB-CZ 4.34Å; R142-Q290 PolarHBondContact N-O 3Å; R142-Q290 WeakPolarHBondContact O-CB 3.39Å; R142-Q290 WeakPolarHBondContact O-CG 3.18Å; R142-Q290 PolarHBondContact O-OE1 3.21Å
143	S	75.9	Confident	68.4	Low	44 Å²	44	60 Å²	60	31%	0.308	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	112.8	172.8	-168.7	0	0	0	0	110.1	V53 E54	V53-S143 WeakPolarHBondContact CA-O 3.33Å; E54-S143 PolarHBondContact N-O 2.92Å; E54-S143 PolarHBondContact O-N 3.34Å
144	L	76.4	Confident	65.4	Low	14 Å²	14	64.8 Å²	64.8	7%	0.073	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	97	173.2	-66	170.3	0	0	0	109.6	L51 V53 R142 Y146 H257	L51-L144 HydrophobicContact CD1-CB 4.33Å; L51-L144 HydrophobicContact CD1-CD2 3.76Å; L51-L144 HydrophobicContact CD2-CD2 3.87Å; L51-L144 HydrophobicContact CG-CD2 4.04Å; V53-L144 HydrophobicContact CG1-CD2 4.01Å; V53-L144 HydrophobicContact CG2-CD2 3.86Å; R142-L144 HydrophobicContact CG-CG 4.41Å; R142-L144 VanDerWaalsContact CZ-CD2 3.48Å; L144-Y146 HydrophobicContact CB-CE2 4.27Å; L144-H257 HydrophobicContact CD1-CB 3.84Å
145	Q	75.7	Confident	62.5	Low	83 Å²	83	70.1 Å²	70.1	39%	0.388	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	122.2	173.5	-60.5	-179.1	12.6	0	0	109.4	K52 E54	K52-Q145 HydrophobicContact CB-CB 4.3Å; K52-Q145 PolarHBondContact N-O 2.85Å; K52-Q145 PolarHBondContact O-N 3.32Å; E54-Q145 PolarHBondContact OE1-NE2 3.01Å; E54-Q145 PolarHBondContact OE2-NE2 3.36Å
146	Y	77.6	Confident	59.8	Low	68 Å²	68	76.5 Å²	76.5	27%	0.267	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	108.3	173.9	-61.3	-85.3	0	0	0	108.7	L51 L144 R416 L418	L51-Y146 HydrophobicContact CD1-CD1 3.7Å; L51-Y146 HydrophobicContact CD1-CE1 3.25Å; L51-Y146 HydrophobicContact CD1-CE2 4.42Å; L51-Y146 HydrophobicContact CD1-CG 4.48Å; L144-Y146 HydrophobicContact CB-CE2 4.27Å; Y146-R416 VanDerWaalsContact CE1-NH2 3.27Å; Y146-L418 HydrophobicContact CD1-CD2 3.83Å; Y146-L418 HydrophobicContact CE1-CD1 4.23Å; Y146-L418 HydrophobicContact CE1-CD2 3.7Å
147	S	71.7	Confident	57.1	Low	59 Å²	59	82.5 Å²	82.5	41%	0.413	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	140.9	172.3	59.4	0	0	0	0	110.7	L49 T50 S149	L49-S147 CarbonylContact C-O 3.41Å; L49-S147 VanDerWaalsContact CA-O 3.31Å; L49-S147 WeakPolarHBondContact CA-O 3.49Å; T50-S147 PolarHBondContact N-O 3.5Å; T50-S147 PolarHBondContact O-N 3.28Å; T50-S147 PolarHBondContact O-OG 2.68Å; S147-S149 PolarHBondContact O-N 2.89Å
148	E	63.8	Low	54.6	Low	152 Å²	152	89 Å²	89	71%	0.71	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	130	167.1	-69.6	-167.8	160	0	0	108.9	L49 D150	L49-E148 HydrophobicContact CD2-CG 3.81Å; E148-D150 PolarHBondContact O-N 3.26Å
149	S	47	Very low	51.8	Low	44 Å²	44	96.7 Å²	96.7	31%	0.308	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-61.6	127.1	174.7	64.1	0	0	0	0	109.2	R48 S147	R48-S149 WeakPolarHBondContact CB-OG 3.43Å; R48-S149 PolarHBondContact O-N 3.18Å; R48-S149 PolarHBondContact O-OG 3.48Å; S147-S149 PolarHBondContact O-N 2.89Å
150	D	35.6	Very low	49.2	Very low	114 Å²	114	106.3 Å²	106.3	61%	0.61	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-48.6	123.7	-179	-145.5	-4.1	0	0	0	111.2	E148 T152	E148-D150 PolarHBondContact O-N 3.26Å; D150-T152 VanDerWaalsContact CG-OG1 3.3Å; D150-T152 PolarHBondContact O-N 3.34Å; D150-T152 VanDerWaalsContact O-N 3.08Å; D150-T152 PolarHBondContact OD2-OG1 3.13Å
151	P	33.3	Very low	46.6	Very low	126 Å²	126	110.6 Å²	110.6	82%	0.818	57%	0.568	S	S	*	*	S	Bend	trans	-70.4	0.8	-178.8	25.2	-31.3	0	0	0	113.8	L153	P151-L153 PolarHBondContact O-N 2.68Å
152	T	29	Very low	44.3	Very low	96 Å²	96	115 Å²	115	59%	0.589	59%	0.589	S	S	*	*			trans	-83.1	26.3	-177	55.4	0	0	0	0	114.4	D150 H154	D150-T152 VanDerWaalsContact CG-OG1 3.3Å; D150-T152 PolarHBondContact O-N 3.34Å; D150-T152 VanDerWaalsContact O-N 3.08Å; D150-T152 PolarHBondContact OD2-OG1 3.13Å; T152-H154 PolarHBondContact O-N 3.14Å
153	L	32.2	Very low	41.6	Very low	128 Å²	128	123.6 Å²	123.6	67%	0.67	63%	0.627	S	S	*	*			trans	-74	75.9	166.7	-90.8	153.8	0	0	0	110.4	P151 C155	P151-L153 PolarHBondContact O-N 2.68Å; L153-C155 PolarHBondContact O-N 3.02Å
154	H	24.3	Very low	39.2	Very low	168 Å²	168	131.5 Å²	131.5	78%	0.778	65%	0.65	S	S	*	*			trans	-59.3	108	158.6	-88.4	-65.5	0	0	0	108.3	T152 N156	T152-H154 PolarHBondContact O-N 3.14Å; H154-N156 PolarHBondContact O-N 3.18Å
155	C	28	Very low	36.7	Very low	122 Å²	122	139.4 Å²	139.4	82%	0.824	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	22.9	-178.6	-69.1	0	0	0	0	115	L153	L153-C155 PolarHBondContact O-N 3.02Å
156	N	27.3	Very low	34.3	Very low	153 Å²	153	140.1 Å²	140.1	82%	0.818	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.2	4.7	-175.4	-109.7	6.8	0	0	0	115.9	H154	H154-N156 PolarHBondContact O-N 3.18Å
157	E	26.8	Very low	31.9	Very low	181 Å²	181	142.5 Å²	142.5	85%	0.846	73%	0.727	S	S	*	*			trans	-127.1	64	171.1	-69.3	-146.7	165.8	0	0	112.5
158	T	29.9	Very low	29.9	Very low	137 Å²	137	150.8 Å²	150.8	84%	0.84	75%	0.749	S	S	*	*			trans	-119.4	60.9	153.2	47.6	0	0	0	0	108.4
159	R	23.5	Very low	28.2	Very low	217 Å²	217	149.6 Å²	149.6	82%	0.819	76%	0.755	S	S	*	*			trans	-121	83.4	164.1	-144.5	-179.9	-166	-172.2	2.6	106.7	T161	R159-T161 PolarHBondContact O-N 3Å
160	W	25.5	Very low	27.2	Very low	250 Å²	250	155.8 Å²	155.8	95%	0.947	78%	0.784	S	S	*	*			trans	-64.3	90.8	160	-88.5	65.9	0	0	0	107.4	Q162	W160-Q162 PolarHBondContact O-N 3.39Å
161	T	23.2	Very low	26.9	Very low	99 Å²	99	162 Å²	162	61%	0.607	80%	0.799	S	S	*	*			trans	-67.8	105.4	155.4	42.8	0	0	0	0	106.7	R159 K163	R159-T161 PolarHBondContact O-N 3Å; T161-K163 PolarHBondContact O-N 3.02Å
162	Q	26.5	Very low	26.5	Very low	153 Å²	153	168 Å²	168	72%	0.715	81%	0.805	S	S	*	*			trans	-51.2	107.3	151.9	-75.2	-179.8	-31	0	0	107	W160 W164	W160-Q162 PolarHBondContact O-N 3.39Å; Q162-W164 PolarHBondContact O-N 3.06Å
163	K	21.5	Very low	26.6	Very low	187 Å²	187	168.2 Å²	168.2	81%	0.813	82%	0.817	S	S	*	*			trans	-72.8	86.6	169.2	-92.5	-176.7	176.9	174.7	0	107.6	T161 Q165	T161-K163 PolarHBondContact O-N 3.02Å; K163-Q165 PolarHBondContact O-N 3.43Å; K163-Q165 VanDerWaalsContact O-N 3.14Å
164	W	25	Very low	26.4	Very low	210 Å²	210	168 Å²	168	80%	0.795	83%	0.825	S	S	*	*			trans	-69	98.6	157.8	-74.8	82.5	0	0	0	107.9	Q162 S166	Q162-W164 PolarHBondContact O-N 3.06Å; W164-S166 PolarHBondContact O-N 3.49Å
165	Q	23.6	Very low	26.6	Very low	180 Å²	180	167.8 Å²	167.8	84%	0.841	83%	0.83	S	S	*	*			trans	-86.8	81.4	160.7	-82.1	-175.1	-31.7	0	0	108.4	K163	K163-Q165 PolarHBondContact O-N 3.43Å; K163-Q165 VanDerWaalsContact O-N 3.14Å
166	S	25.7	Very low	26.5	Very low	98 Å²	98	167.8 Å²	167.8	69%	0.685	83%	0.831	S	S	*	*			trans	-88.9	103.4	163	74.9	0	0	0	0	108.9	W164 R168	W164-S166 PolarHBondContact O-N 3.49Å; S166-R168 PolarHBondContact O-N 3.05Å
167	S	27	Very low	26.5	Very low	118 Å²	118	168.4 Å²	168.4	83%	0.825	83%	0.833	S	S	*	*			trans	-77.4	86.8	168.5	32.7	0	0	0	0	110.1
168	R	28.4	Very low	26.5	Very low	233 Å²	233	163.1 Å²	163.1	88%	0.879	83%	0.827	S	S	*	*			trans	-143.3	140.5	154.8	-70.6	-165	179	-173	-0	112	S166	S166-R168 PolarHBondContact O-N 3.05Å
169	P	28.6	Very low	26.4	Very low	128 Å²	128	163 Å²	163	83%	0.831	83%	0.832	S	S	*	*			trans	-84.1	147.5	-172.1	6.3	12.6	0	0	0	112.4
170	L	27.5	Very low	26.7	Very low	173 Å²	173	156.6 Å²	156.6	91%	0.906	83%	0.833	S	S	*	*			trans	-60.3	130.6	175.2	-72.5	158.2	0	0	0	112.9
171	R	27.6	Very low	26.8	Very low	246 Å²	246	153.5 Å²	153.5	93%	0.928	83%	0.827	S	S	*	*			trans	-173.9	105.9	135.4	-106.7	179	-177.5	-161	1.5	112.1
172	R	26.6	Very low	26.9	Very low	251 Å²	251	159 Å²	159	95%	0.947	84%	0.837	S	S	*	*				175.9	134.7	119.3	-101.3	179.2	-178.6	176	1.7	110.7
173	A	29.8	Very low	27	Very low	101 Å²	101	159.6 Å²	159.6	84%	0.835	84%	0.839	S	S	*	*			trans	-85	136.5	169.7	0	0	0	0	0	109.7
174	S	27.7	Very low	27.3	Very low	122 Å²	122	155.7 Å²	155.7	85%	0.853	84%	0.842	S	S	*	*			trans	-165.1	138.3	147	54.8	0	0	0	0	110.7
175	L	28.3	Very low	27.8	Very low	165 Å²	165	151.6 Å²	151.6	86%	0.864	84%	0.84	S	S	*	*			trans	-67	141.5	-174.9	-62.5	137.9	0	0	0	112.5
176	S	26.6	Very low	28.3	Very low	121 Å²	121	146.6 Å²	146.6	85%	0.846	84%	0.836	S	S	*	*			trans	-147.1	120.3	138.1	71.6	0	0	0	0	109.9
177	L	27.7	Very low	28.7	Very low	167 Å²	167	152.1 Å²	152.1	87%	0.874	84%	0.842	S	S	*	*			trans	-76.5	142.1	167.2	-88.2	87.1	0	0	0	108.8
178	G	25.7	Very low	29.2	Very low	69 Å²	69	154.4 Å²	154.4	71%	0.711	84%	0.839	S	S	*	*			trans	157.3	114.6	157.5	0	0	0	0	0	116.2
179	S	29.1	Very low	29.4	Very low	135 Å²	135	149.2 Å²	149.2	94%	0.944	84%	0.839	S	S	*	*			trans	63.7	98.7	158.4	64.3	0	0	0	0	119.7
180	G	29.1	Very low	29.6	Very low	82 Å²	82	147.7 Å²	147.7	85%	0.845	83%	0.831	S	S	*	*			trans	-171.6	36.6	164.9	0	0	0	0	0	112.2
181	F	26.8	Very low	30.2	Very low	186 Å²	186	147.8 Å²	147.8	82%	0.816	82%	0.82	S	S	*	*			trans	-105.2	110.8	174.4	-132.5	-97.5	0	0	0	106.4
182	W	27.1	Very low	30.8	Very low	215 Å²	215	146.9 Å²	146.9	81%	0.814	82%	0.816	S	S	*	*	S	Bend	trans	166.7	121.9	141.3	-79.4	114.9	0	0	0	109.5
183	H	28.1	Very low	31.2	Very low	165 Å²	165	142.7 Å²	142.7	76%	0.764	81%	0.812	S	S	*	*			trans	86.8	63.9	170.3	-53.1	-57.1	0	0	0	120.1
184	A	28	Very low	31.6	Very low	105 Å²	105	144.1 Å²	144.1	87%	0.868	81%	0.805	S	S	*	*			trans	-124.3	79.7	140.7	0	0	0	0	0	108.8	G186	A184-G186 PolarHBondContact O-N 2.62Å
185	T	34	Very low	32.2	Very low	124 Å²	124	147.2 Å²	147.2	76%	0.761	80%	0.798	S	S	*	*			trans	-76.3	109.1	172.1	49.1	0	0	0	0	109.3	R187	T185-R187 PolarHBondContact O-N 3.08Å
186	G	35.9	Very low	32.5	Very low	74 Å²	74	143.6 Å²	143.6	76%	0.763	79%	0.792	S	S	*	*			trans	-58	117.8	171.5	0	0	0	0	0	112.3	A184	A184-G186 PolarHBondContact O-N 2.62Å
187	R	32.8	Very low	33.3	Very low	215 Å²	215	144.1 Å²	144.1	81%	0.811	78%	0.783	S	S	*	*			trans	-148.2	64.3	160.4	-79.8	-170.7	174.7	168.6	-2.5	109.6	T185	T185-R187 PolarHBondContact O-N 3.08Å
188	H	37.6	Very low	34.4	Very low	165 Å²	165	140 Å²	140	76%	0.764	77%	0.767	S	S	*	*			trans	-117.7	5.7	179.2	-87	-68.8	0	0	0	116.1
189	S	33	Very low	36.2	Very low	124 Å²	124	144.6 Å²	144.6	87%	0.867	76%	0.763	S	S	*	*	S	Bend	trans	-94.2	-12.3	180	-163.7	0	0	0	0	115.8
190	S	31.6	Very low	38.8	Very low	97 Å²	97	138.9 Å²	138.9	68%	0.678	72%	0.721	S	S	*	*	S	Bend	trans	-106.2	1.3	-175.5	61.3	0	0	0	0	115.6
191	R	41.7	Very low	41.8	Very low	174 Å²	174	135.1 Å²	135.1	66%	0.657	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	1.2	-178.1	-76	-172.6	-180	-176.5	1.3	115.5
192	R	39.1	Very low	44.8	Very low	227 Å²	227	126.2 Å²	126.2	86%	0.857	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-30.3	179.2	-109.3	-179.2	179.8	-179.6	-0.4	113.4
193	L	36	Very low	47.7	Very low	164 Å²	164	120.9 Å²	120.9	86%	0.859	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-14.1	-176.7	-91	149.7	0	0	0	114.8
194	L	37.1	Very low	50.7	Low	131 Å²	131	114.8 Å²	114.8	69%	0.686	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	3.8	175.7	-73.1	168.6	0	0	0	113.8
195	R	40	Very low	53.8	Low	186 Å²	186	110.3 Å²	110.3	70%	0.702	56%	0.563	S	S	*	*	S	Bend	trans	-89.4	2.4	179.5	-110.1	179.3	173.9	-177.8	-5.8	113.9	E372	R195-E372 IonicContact NH2-OE1 3.9Å
196	A	36.2	Very low	56.6	Low	89 Å²	89	108.9 Å²	108.9	74%	0.736	55%	0.547	S	S	*	.			trans	-90.4	-3.7	-174.7	0	0	0	0	0	115.1
197	I	42.5	Very low	59.3	Low	132 Å²	132	105.3 Å²	105.3	68%	0.677	51%	0.511	S	S	*	.	S	Bend	trans	-97.6	116.3	172	-56.3	174.9	0	0	0	107.5	R199	I197-R199 PolarHBondContact O-N 3.26Å
198	P	50.6	Low	62.1	Low	82 Å²	82	97.6 Å²	97.6	53%	0.532	49%	0.486	S	S	.	.			trans	-62.9	110.7	175.5	-3	13.2	0	0	0	108.4
199	R	64.1	Low	64.8	Low	164 Å²	164	91.1 Å²	91.1	62%	0.619	46%	0.458	S	S	*	.			trans	-76.1	130.9	-179.4	-65.7	-175	178.1	-168	-4.4	109.6	I197	I197-R199 PolarHBondContact O-N 3.26Å
200	Q	84.1	Confident	67.7	Low	15 Å²	15	85.2 Å²	85.2	7%	0.07	42%	0.417	C	S	.	.			trans	-67.1	140.4	170.2	-171.4	59.9	17.9	0	0	109	A202 Q203 T204 Q272 R407	Q200-A202 VanDerWaalsContact C-N 3.28Å; Q200-A202 HydrophobicContact CG-CB 4.35Å; Q200-A202 PolarHBondContact O-N 3.18Å; Q200-Q203 HydrophobicContact CB-CG 4.46Å; Q200-Q203 PolarHBondContact O-N 3.21Å; Q200-T204 PolarHBondContact O-N 2.87Å; Q200-T204 PolarHBondContact O-OG1 2.79Å; Q200-Q272 WeakPolarHBondContact CG-O 3.46Å; Q200-Q272 PolarHBondContact NE2-O 2.93Å; Q200-R407 PolarHBondContact NE2-O 3.21Å; Q200-R407 VanDerWaalsContact NE2-O 3.11Å
201	V	90.6	Very high	70.7	Confident	3 Å²	3	82.5 Å²	82.5	2%	0.018	39%	0.392	C	S	.	.	H	α-helix	trans	-61.7	-37.7	-177	171.7	0	0	0	0	111.6	Q203 T204 L205 F274 F371 Y402 V406 V427	V201-Q203 VanDerWaalsContact C-N 3.35Å; V201-Q203 PolarHBondContact O-N 2.81Å; V201-T204 PolarHBondContact O-N 2.75Å; V201-T204 VanDerWaalsContact O-N 3.11Å; V201-L205 HydrophobicContact CG1-CD1 4.05Å; V201-L205 PolarHBondContact O-N 2.81Å; V201-F274 HydrophobicContact CG1-CE2 4.2Å; V201-F274 HydrophobicContact CG1-CZ 3.99Å; V201-F371 HydrophobicContact CG2-CE1 4.02Å; V201-F371 HydrophobicContact CG2-CZ 3.71Å; V201-Y402 HydrophobicContact CG1-CD2 3.89Å; V201-Y402 HydrophobicContact CG1-CG 4.43Å; V201-V406 HydrophobicContact CB-CG1 4.41Å; V201-V406 HydrophobicContact CG2-CB 4.2Å; V201-V406 HydrophobicContact CG2-CG1 3.72Å; V201-V406 HydrophobicContact CG2-CG2 3.92Å; V201-V427 HydrophobicContact CG1-CG1 3.77Å; V201-V427 HydrophobicContact CG1-CG2 3.91Å
202	A	89.8	Confident	73.2	Confident	0 Å²	0	80.9 Å²	80.9	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-56.9	-44.2	175.7	0	0	0	0	0	112.9	Q200 L205 Q206 A207 W211 F274	Q200-A202 VanDerWaalsContact C-N 3.28Å; Q200-A202 HydrophobicContact CG-CB 4.35Å; Q200-A202 PolarHBondContact O-N 3.18Å; A202-L205 CarbonylContact O-C 3.51Å; A202-L205 PolarHBondContact O-N 3.36Å; A202-Q206 PolarHBondContact O-N 3.29Å; A202-A207 HydrophobicContact CB-CB 4.2Å; A202-A207 VanDerWaalsContact O-CB 3.25Å; A202-A207 WeakPolarHBondContact O-CB 3.35Å; A202-A207 PolarHBondContact O-N 3.32Å; A202-W211 HydrophobicContact CB-CH2 3.79Å; A202-W211 HydrophobicContact CB-CZ2 4.03Å; A202-F274 HydrophobicContact CB-CD1 4.33Å; A202-F274 HydrophobicContact CB-CD2 4.28Å; A202-F274 HydrophobicContact CB-CE1 4.29Å; A202-F274 HydrophobicContact CB-CE2 4.21Å; A202-F274 HydrophobicContact CB-CG 4.32Å; A202-F274 HydrophobicContact CB-CZ 4.2Å
203	Q	89.4	Confident	75.7	Confident	102 Å²	102	71.9 Å²	71.9	48%	0.477	36%	0.36	S	S	.	.	H	α-helix	trans	-71	-35.1	176.2	-67.1	174.3	-9.8	0	0	111.9	Q200 V201 L205 Q206	Q200-Q203 HydrophobicContact CB-CG 4.46Å; Q200-Q203 PolarHBondContact O-N 3.21Å; V201-Q203 VanDerWaalsContact C-N 3.35Å; V201-Q203 PolarHBondContact O-N 2.81Å; Q203-L205 VanDerWaalsContact C-N 3.26Å; Q203-L205 PolarHBondContact O-N 2.79Å; Q203-Q206 PolarHBondContact O-N 2.89Å
204	T	90.9	Very high	78.4	Confident	37 Å²	37	66.7 Å²	66.7	23%	0.227	35%	0.346	C	S	.	.	H	α-helix	trans	-65.9	-33.4	178.7	-53.8	0	0	0	0	111.6	Q200 V201 Q206 Y402	Q200-T204 PolarHBondContact O-N 2.87Å; Q200-T204 PolarHBondContact O-OG1 2.79Å; V201-T204 PolarHBondContact O-N 2.75Å; V201-T204 VanDerWaalsContact O-N 3.11Å; T204-Q206 VanDerWaalsContact C-N 3.31Å; T204-Y402 HydrophobicContact CG2-CE2 3.59Å; T204-Y402 VanDerWaalsContact CG2-OH 3.29Å; T204-Y402 WeakPolarHBondContact CG2-OH 3.33Å
205	L	92.4	Very high	81.2	Confident	11 Å²	11	63.2 Å²	63.2	6%	0.058	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	15	173	-68.8	173.8	0	0	0	113.4	V201 A202 Q203 A207 F274 Y402 V427 L474 L476	V201-L205 HydrophobicContact CG1-CD1 4.05Å; V201-L205 PolarHBondContact O-N 2.81Å; A202-L205 CarbonylContact O-C 3.51Å; A202-L205 PolarHBondContact O-N 3.36Å; Q203-L205 VanDerWaalsContact C-N 3.26Å; Q203-L205 PolarHBondContact O-N 2.79Å; L205-A207 VanDerWaalsContact C-N 3.32Å; L205-A207 PolarHBondContact O-N 3.01Å; L205-F274 HydrophobicContact CB-CE1 4.04Å; L205-F274 HydrophobicContact CB-CZ 4.29Å; L205-F274 HydrophobicContact CD1-CE1 4.11Å; L205-F274 HydrophobicContact CD1-CZ 3.75Å; L205-Y402 HydrophobicContact CD1-CD2 4.21Å; L205-Y402 HydrophobicContact CD2-CD2 4.36Å; L205-Y402 HydrophobicContact CD2-CE2 3.98Å; L205-Y402 HydrophobicContact CG-CD2 4.14Å; L205-Y402 HydrophobicContact CG-CE2 4.04Å; L205-V427 HydrophobicContact CD1-CG1 3.66Å; L205-L474 HydrophobicContact CD1-CD2 3.95Å; L205-L476 WeakPolarHBondContact O-CB 3.3Å; L205-L476 WeakPolarHBondContact O-CD2 3.45Å
206	Q	93.7	Very high	83.7	Confident	94 Å²	94	55.6 Å²	55.6	44%	0.439	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	30.8	172.4	-51.4	-178.9	-81.3	0	0	115.3	A202 Q203 T204 D208 V209 L477	A202-Q206 PolarHBondContact O-N 3.29Å; Q203-Q206 PolarHBondContact O-N 2.89Å; T204-Q206 VanDerWaalsContact C-N 3.31Å; Q206-D208 VanDerWaalsContact C-OD1 3.28Å; Q206-D208 VanDerWaalsContact CA-OD1 3.3Å; Q206-D208 WeakPolarHBondContact CA-OD1 3.27Å; Q206-D208 PolarHBondContact O-N 3.24Å; Q206-V209 HydrophobicContact CB-CG2 4.31Å; Q206-V209 PolarHBondContact O-N 3.12Å; Q206-L477 HydrophobicContact CB-CD1 3.85Å; Q206-L477 HydrophobicContact CB-CD2 4.48Å; Q206-L477 HydrophobicContact CB-CG 4.09Å; Q206-L477 HydrophobicContact CG-CD1 4.39Å
207	A	92.6	Very high	86.4	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.8	-25.1	175.2	0	0	0	0	0	112.9	A202 L205 V209 L210 W211 F274 L434 L476	A202-A207 HydrophobicContact CB-CB 4.2Å; A202-A207 VanDerWaalsContact O-CB 3.25Å; A202-A207 WeakPolarHBondContact O-CB 3.35Å; A202-A207 PolarHBondContact O-N 3.32Å; L205-A207 VanDerWaalsContact C-N 3.32Å; L205-A207 PolarHBondContact O-N 3.01Å; A207-V209 PolarHBondContact O-N 2.86Å; A207-L210 PolarHBondContact O-N 2.86Å; A207-L210 VanDerWaalsContact O-N 3.12Å; A207-W211 HydrophobicContact CB-CH2 4.25Å; A207-W211 HydrophobicContact CB-CZ2 3.69Å; A207-W211 VanDerWaalsContact O-CG 3.32Å; A207-W211 PolarHBondContact O-N 2.7Å; A207-F274 HydrophobicContact CB-CD1 3.91Å; A207-F274 HydrophobicContact CB-CE1 4.27Å; A207-L434 HydrophobicContact CB-CD2 3.89Å; A207-L476 HydrophobicContact CB-CD2 3.82Å
208	D	91.9	Very high	88.9	Confident	53 Å²	53	47.8 Å²	47.8	28%	0.283	25%	0.253	S	S	.	.	H	α-helix	trans	-60.2	-31.9	176.9	61.9	-49.3	0	0	0	113.3	Q206 W211 Q212	Q206-D208 VanDerWaalsContact C-OD1 3.28Å; Q206-D208 VanDerWaalsContact CA-OD1 3.3Å; Q206-D208 WeakPolarHBondContact CA-OD1 3.27Å; Q206-D208 PolarHBondContact O-N 3.24Å; D208-W211 VanDerWaalsContact CA-CE3 3.47Å; D208-W211 HydrophobicContact CB-CE3 3.94Å; D208-W211 HydrophobicContact CB-CZ3 4.19Å; D208-W211 PolarHBondContact O-N 2.72Å; D208-Q212 VanDerWaalsContact O-CG 3.26Å; D208-Q212 WeakPolarHBondContact O-CG 3.34Å; D208-Q212 PolarHBondContact O-N 2.74Å
209	V	93.7	Very high	90.8	Very high	29 Å²	29	45.3 Å²	45.3	18%	0.176	24%	0.242	C	C	.	.	H	α-helix	trans	-64.4	-43	174.8	179.6	0	0	0	0	110.7	Q206 A207 Q212 M213 L477	Q206-V209 HydrophobicContact CB-CG2 4.31Å; Q206-V209 PolarHBondContact O-N 3.12Å; A207-V209 PolarHBondContact O-N 2.86Å; V209-Q212 PolarHBondContact O-N 3.43Å; V209-M213 HydrophobicContact CG1-CE 3.74Å; V209-M213 WeakPolarHBondContact O-CG 2.98Å; V209-M213 PolarHBondContact O-N 3.06Å; V209-L477 HydrophobicContact CB-CD2 4.01Å; V209-L477 HydrophobicContact CG1-CD2 4.12Å; V209-L477 HydrophobicContact CG2-CD1 4.45Å
210	L	93.8	Very high	92.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-70.4	-34.8	177.2	-63.8	-178.3	0	0	0	111.8	A207 Q212 M213 G214 Y215 L434 L435 L476 L477 Y480	A207-L210 PolarHBondContact O-N 2.86Å; A207-L210 VanDerWaalsContact O-N 3.12Å; L210-Q212 VanDerWaalsContact C-N 3.33Å; L210-Q212 PolarHBondContact O-N 3.16Å; L210-M213 HydrophobicContact CD2-SD 3.9Å; L210-M213 CarbonylContact O-C 3.56Å; L210-M213 WeakPolarHBondContact O-CB 3.1Å; L210-M213 PolarHBondContact O-N 2.79Å; L210-M213 VanDerWaalsContact O-N 3.16Å; L210-G214 PolarHBondContact O-N 3.13Å; L210-Y215 CarbonylContact C-O 3.48Å; L210-Y215 PolarHBondContact O-N 3.38Å; L210-L434 HydrophobicContact CB-CD1 4.48Å; L210-L434 HydrophobicContact CB-CD2 4.1Å; L210-L434 HydrophobicContact CB-CG 4.36Å; L210-L434 HydrophobicContact CD1-CD2 3.8Å; L210-L434 HydrophobicContact CD1-CG 3.93Å; L210-L435 HydrophobicContact CD1-CD2 4.48Å; L210-L476 HydrophobicContact CD1-CD1 4.13Å; L210-L476 HydrophobicContact CD1-CD2 4.03Å; L210-L476 HydrophobicContact CD1-CG 3.89Å; L210-L477 HydrophobicContact CD2-CD2 4.3Å; L210-L477 HydrophobicContact CG-CD2 4.2Å; L210-Y480 HydrophobicContact CD2-CD1 3.97Å; L210-Y480 HydrophobicContact CD2-CD2 4.11Å; L210-Y480 HydrophobicContact CD2-CE1 4.34Å; L210-Y480 HydrophobicContact CD2-CE2 4.49Å; L210-Y480 HydrophobicContact CD2-CG 3.83Å
211	W	94.1	Very high	92.9	Very high	40 Å²	40	39.7 Å²	39.7	15%	0.152	22%	0.221	C	C	.	.	H	α-helix	trans	-62.7	-39.8	172.4	-57.7	-21.7	0	0	0	112.2	A202 A207 D208 M213 G214 Y215 T216 Q272 G273 F274	A202-W211 HydrophobicContact CB-CH2 3.79Å; A202-W211 HydrophobicContact CB-CZ2 4.03Å; A207-W211 HydrophobicContact CB-CH2 4.25Å; A207-W211 HydrophobicContact CB-CZ2 3.69Å; A207-W211 VanDerWaalsContact O-CG 3.32Å; A207-W211 PolarHBondContact O-N 2.7Å; D208-W211 VanDerWaalsContact CA-CE3 3.47Å; D208-W211 HydrophobicContact CB-CE3 3.94Å; D208-W211 HydrophobicContact CB-CZ3 4.19Å; D208-W211 PolarHBondContact O-N 2.72Å; W211-M213 PolarHBondContact O-N 3.05Å; W211-G214 WeakPolarHBondContact O-CA 3.48Å; W211-G214 PolarHBondContact O-N 3.22Å; W211-Y215 VanDerWaalsContact CA-O 3.31Å; W211-Y215 WeakPolarHBondContact CA-O 3.21Å; W211-Y215 VanDerWaalsContact CD1-O 3.27Å; W211-T216 HydrophobicContact CB-CG2 4.48Å; W211-T216 HydrophobicContact CG-CG2 4.48Å; W211-Q272 HydrophobicContact CH2-CB 4.41Å; W211-Q272 HydrophobicContact CH2-CG 3.74Å; W211-Q272 HydrophobicContact CZ2-CG 4.33Å; W211-Q272 VanDerWaalsContact CZ3-CD 3.43Å; W211-Q272 HydrophobicContact CZ3-CG 4.17Å; W211-G273 WeakPolarHBondContact CZ2-O 3.36Å; W211-F274 PolarHBondContact NE1-O 3.17Å
212	Q	94.3	Very high	93.2	Very high	140 Å²	140	39.6 Å²	39.6	65%	0.654	22%	0.22	S	C	*	.	H	α-helix	trans	-64.8	-29.8	174.9	-72.4	169.3	27.6	0	0	112.3	D208 V209 L210 G214	D208-Q212 VanDerWaalsContact O-CG 3.26Å; D208-Q212 WeakPolarHBondContact O-CG 3.34Å; D208-Q212 PolarHBondContact O-N 2.74Å; V209-Q212 PolarHBondContact O-N 3.43Å; L210-Q212 VanDerWaalsContact C-N 3.33Å; L210-Q212 PolarHBondContact O-N 3.16Å; Q212-G214 PolarHBondContact O-N 3.46Å
213	M	92.4	Very high	93.6	Very high	38 Å²	38	39.6 Å²	39.6	19%	0.187	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-2.8	171.2	-63.9	170.7	-176.3	0	0	113.4	V209 L210 W211 Y215 Y480 V968 L970	V209-M213 HydrophobicContact CG1-CE 3.74Å; V209-M213 WeakPolarHBondContact O-CG 2.98Å; V209-M213 PolarHBondContact O-N 3.06Å; L210-M213 HydrophobicContact CD2-SD 3.9Å; L210-M213 CarbonylContact O-C 3.56Å; L210-M213 WeakPolarHBondContact O-CB 3.1Å; L210-M213 PolarHBondContact O-N 2.79Å; L210-M213 VanDerWaalsContact O-N 3.16Å; W211-M213 PolarHBondContact O-N 3.05Å; M213-Y215 HydrophobicContact CB-CD2 3.76Å; M213-Y215 HydrophobicContact CB-CE2 3.96Å; M213-Y480 HydrophobicContact SD-CE1 4.26Å; M213-V968 HydrophobicContact CE-CG1 3.73Å; M213-L970 HydrophobicContact CG-CD2 4.31Å
214	G	92.9	Very high	93.9	Very high	55 Å²	55	34.8 Å²	34.8	57%	0.567	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.5	-0.8	178.8	0	0	0	0	0	114.9	L210 W211 Q212	L210-G214 PolarHBondContact O-N 3.13Å; W211-G214 WeakPolarHBondContact O-CA 3.48Å; W211-G214 PolarHBondContact O-N 3.22Å; Q212-G214 PolarHBondContact O-N 3.46Å
215	Y	94.8	Very high	94	Very high	58 Å²	58	33 Å²	33	23%	0.227	19%	0.186	C	C	.	.			trans	-86.6	125.5	177.8	-58.1	-66.3	0	0	0	110.1	L210 W211 M213 L434 S437 T438 Y480	L210-Y215 CarbonylContact C-O 3.48Å; L210-Y215 PolarHBondContact O-N 3.38Å; W211-Y215 VanDerWaalsContact CA-O 3.31Å; W211-Y215 WeakPolarHBondContact CA-O 3.21Å; W211-Y215 VanDerWaalsContact CD1-O 3.27Å; M213-Y215 HydrophobicContact CB-CD2 3.76Å; M213-Y215 HydrophobicContact CB-CE2 3.96Å; Y215-L434 WeakPolarHBondContact O-CD1 3.36Å; Y215-S437 WeakPolarHBondContact CD1-O 3.06Å; Y215-T438 HydrophobicContact CD1-CG2 3.96Å; Y215-T438 HydrophobicContact CD2-CG2 3.75Å; Y215-T438 HydrophobicContact CE1-CG2 4.47Å; Y215-T438 HydrophobicContact CE2-CG2 4.28Å; Y215-T438 HydrophobicContact CG-CG2 3.55Å; Y215-Y480 HydrophobicContact CE2-CE2 4.41Å
216	T	93.3	Very high	93.9	Very high	26 Å²	26	32.5 Å²	32.5	16%	0.16	18%	0.184	C	C	.	.	S	Bend	trans	-142.2	14.1	-174.7	50.3	0	0	0	0	112.7	W211 A275 P276 N277	W211-T216 HydrophobicContact CB-CG2 4.48Å; W211-T216 HydrophobicContact CG-CG2 4.48Å; T216-A275 CarbonylContact O-C 3.6Å; T216-A275 WeakPolarHBondContact O-CA 3.35Å; T216-P276 WeakPolarHBondContact O-CD 3.43Å; T216-N277 PolarHBondContact O-N 3.5Å; T216-N277 PolarHBondContact OG1-ND2 2.82Å
217	G	93.6	Very high	93.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.163	C	C	.	.			trans	87.8	5.2	-173	0	0	0	0	0	114.8	G219 V220 A278 S437	G217-G219 PolarHBondContact O-N 3.3Å; G217-V220 PolarHBondContact O-N 2.91Å; G217-V220 VanDerWaalsContact O-N 3.16Å; G217-A278 VanDerWaalsContact O-CA 3.28Å; G217-A278 WeakPolarHBondContact O-CA 3.03Å; G217-S437 WeakPolarHBondContact CA-OG 3.26Å; G217-S437 PolarHBondContact N-OG 3.39Å; G217-S437 VanDerWaalsContact N-OG 3.16Å
218	A	93.9	Very high	93.5	Very high	56 Å²	56	28.1 Å²	28.1	46%	0.463	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	131.2	-173.5	0	0	0	0	0	112.5	V220 N277	A218-V220 VanDerWaalsContact C-N 3.26Å; A218-V220 PolarHBondContact O-N 2.99Å; A218-N277 HydrophobicContact CB-CB 4.24Å
219	G	91.6	Very high	93.5	Very high	30 Å²	30	25.7 Å²	25.7	31%	0.309	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	72	10.7	179.6	0	0	0	0	0	115	G217 R442	G217-G219 PolarHBondContact O-N 3.3Å; G219-R442 VanDerWaalsContact C-NH2 3.27Å; G219-R442 VanDerWaalsContact O-CZ 3.24Å; G219-R442 PolarHBondContact O-NH1 3.24Å; G219-R442 PolarHBondContact O-NH2 3.35Å
220	V	95.4	Very high	93.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.152	C	C	.	.			trans	-97.9	129.2	172.1	-176	0	0	0	0	108.7	G217 A218 V222 E279 D310 V311 T433 V436	G217-V220 PolarHBondContact O-N 2.91Å; G217-V220 VanDerWaalsContact O-N 3.16Å; A218-V220 VanDerWaalsContact C-N 3.26Å; A218-V220 PolarHBondContact O-N 2.99Å; V220-V222 HydrophobicContact CG1-CG2 4.37Å; V220-E279 PolarHBondContact O-N 3.37Å; V220-D310 HydrophobicContact CG1-CB 3.99Å; V220-V311 HydrophobicContact CG1-CG2 4.31Å; V220-T433 HydrophobicContact CB-CG2 3.93Å; V220-T433 HydrophobicContact CG1-CG2 3.77Å; V220-V436 HydrophobicContact CG1-CB 4.21Å; V220-V436 HydrophobicContact CG1-CG1 3.96Å; V220-V436 HydrophobicContact CG2-CB 4.18Å; V220-V436 HydrophobicContact CG2-CG1 3.85Å
221	R	96.5	Very high	92.7	Very high	62 Å²	62	32.1 Å²	32.1	23%	0.234	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	122.1	178.2	-65.1	161.3	-66.9	-178.5	-1.3	109.9	E279 K307 K308 I309 D310 V311	R221-E279 HydrophobicContact CG-CB 4.12Å; R221-E279 WeakPolarHBondContact CG-OE2 3.48Å; R221-K307 PolarHBondContact NH1-O 3.31Å; R221-K308 PolarHBondContact NE-O 3.21Å; R221-K308 PolarHBondContact NH1-O 3.02Å; R221-K308 PolarHBondContact NH2-O 2.91Å; R221-I309 HydrophobicContact CB-CD1 4.13Å; R221-D310 WeakPolarHBondContact CB-OD2 3.44Å; R221-D310 IonicContact CZ-OD1 2.76Å; R221-D310 IonicContact CZ-OD2 3.08Å; R221-D310 PolarHBondContact N-OD2 2.97Å; R221-D310 IonicContact NE-OD1 2.64Å; R221-D310 IonicContact NE-OD2 3.26Å; R221-D310 PolarHBondContact NE-OD2 3.42Å; R221-D310 IonicContact NH2-OD1 3.42Å; R221-D310 PolarHBondContact NH2-OD1 3.32Å; R221-D310 IonicContact NH2-OD2 2.72Å; R221-D310 PolarHBondContact O-N 3.3Å; R221-D310 VanDerWaalsContact O-N 3.08Å; R221-V311 PolarHBondContact O-N 2.55Å; R221-V311 VanDerWaalsContact O-N 3.12Å
222	V	97	Very high	92.2	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	121.9	-179.1	-171.5	0	0	0	0	109.5	V220 I265 A278 E279 H281 V311 T433	V220-V222 HydrophobicContact CG1-CG2 4.37Å; V222-I265 HydrophobicContact CG1-CD1 4.33Å; V222-I265 HydrophobicContact CG1-CG2 4.07Å; V222-A278 HydrophobicContact CG2-CB 4.08Å; V222-E279 PolarHBondContact N-O 3.31Å; V222-H281 PolarHBondContact O-N 3.41Å; V222-V311 CarbonylContact C-O 3.6Å; V222-V311 VanDerWaalsContact CA-O 3.29Å; V222-V311 WeakPolarHBondContact CA-O 3.14Å; V222-V311 HydrophobicContact CG1-CB 4.35Å; V222-V311 HydrophobicContact CG1-CG1 4.48Å; V222-V311 HydrophobicContact CG2-CB 4.38Å; V222-T433 HydrophobicContact CG2-CG2 3.27Å; V222-T433 WeakPolarHBondContact CG2-OG1 3.05Å
223	A	96.9	Very high	91.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	134.6	172.2	0	0	0	0	0	111.7	F225 H281 I309 V311 L312 N313	A223-F225 HydrophobicContact CB-CD1 4.1Å; A223-F225 HydrophobicContact CB-CE1 3.81Å; A223-H281 CarbonylContact C-O 3.54Å; A223-H281 VanDerWaalsContact CA-O 3.24Å; A223-H281 WeakPolarHBondContact CA-O 3.34Å; A223-H281 HydrophobicContact CB-CB 4.41Å; A223-I309 HydrophobicContact CB-CB 4.46Å; A223-I309 HydrophobicContact CB-CD1 4.25Å; A223-I309 HydrophobicContact CB-CG1 4.09Å; A223-I309 HydrophobicContact CB-CG2 3.63Å; A223-V311 PolarHBondContact N-O 2.88Å; A223-L312 HydrophobicContact CB-CD1 4.47Å; A223-L312 HydrophobicContact CB-CG 4.32Å; A223-N313 PolarHBondContact O-N 2.86Å
224	V	95.8	Very high	91.8	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	110.7	172.5	179.3	0	0	0	0	108.2	D226 V261 A262 I265 H281 I282 F283	V224-D226 HydrophobicContact CG1-CB 4.03Å; V224-V261 HydrophobicContact CG1-CB 4.36Å; V224-V261 HydrophobicContact CG1-CG1 3.65Å; V224-A262 HydrophobicContact CG2-CB 4.48Å; V224-I265 HydrophobicContact CG2-CD1 3.81Å; V224-H281 PolarHBondContact N-O 3.07Å; V224-I282 HydrophobicContact CB-CD1 3.99Å; V224-I282 HydrophobicContact CG2-CD1 4.2Å; V224-F283 PolarHBondContact O-N 3.11Å
225	F	93.4	Very high	91.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	101.6	177.1	-80.3	47.9	0	0	0	107.7	A223 F283 V285 F297 A300 F301 A304 L312 N313 L314 I316	A223-F225 HydrophobicContact CB-CD1 4.1Å; A223-F225 HydrophobicContact CB-CE1 3.81Å; F225-F283 WeakPolarHBondContact CA-O 3.4Å; F225-F283 HydrophobicContact CD1-CB 3.8Å; F225-F283 HydrophobicContact CD1-CD2 4.02Å; F225-F283 HydrophobicContact CD1-CG 4.11Å; F225-F283 HydrophobicContact CE1-CB 3.9Å; F225-F283 AromaticContact CE1-CD2 3.21Å; F225-F283 HydrophobicContact CE1-CD2 3.21Å; F225-F283 AromaticContact CE1-CE2 3.81Å; F225-F283 HydrophobicContact CE1-CE2 3.81Å; F225-F283 AromaticContact CE1-CG 3.72Å; F225-F283 HydrophobicContact CE1-CG 3.72Å; F225-F283 HydrophobicContact CE2-CD2 4.18Å; F225-F283 HydrophobicContact CG-CB 4.21Å; F225-F283 HydrophobicContact CZ-CB 4.42Å; F225-F283 AromaticContact CZ-CD2 3.32Å; F225-F283 HydrophobicContact CZ-CD2 3.32Å; F225-F283 AromaticContact CZ-CE2 3.85Å; F225-F283 HydrophobicContact CZ-CE2 3.85Å; F225-F283 HydrophobicContact CZ-CG 4.21Å; F225-V285 HydrophobicContact CB-CG2 4.22Å; F225-V285 HydrophobicContact CD2-CG1 4.02Å; F225-F297 HydrophobicContact CD2-CD1 4.34Å; F225-A300 HydrophobicContact CD2-CB 4.28Å; F225-A300 HydrophobicContact CE2-CB 3.44Å; F225-A300 VanDerWaalsContact CE2-CB 3.44Å; F225-A300 HydrophobicContact CZ-CB 3.87Å; F225-F301 HydrophobicContact CD2-CD1 4.36Å; F225-F301 AromaticContact CD2-CE1 3.97Å; F225-F301 HydrophobicContact CD2-CE1 3.97Å; F225-F301 AromaticContact CE2-CD1 3.48Å; F225-F301 HydrophobicContact CE2-CD1 3.48Å; F225-F301 VanDerWaalsContact CE2-CD1 3.48Å; F225-F301 AromaticContact CE2-CE1 3.54Å; F225-F301 HydrophobicContact CE2-CE1 3.54Å; F225-F301 HydrophobicContact CE2-CG 4.28Å; F225-F301 HydrophobicContact CE2-CZ 4.39Å; F225-F301 AromaticContact CZ-CD1 3.81Å; F225-F301 HydrophobicContact CZ-CD1 3.81Å; F225-F301 HydrophobicContact CZ-CE1 4.14Å; F225-A304 HydrophobicContact CE1-CB 4.45Å; F225-A304 HydrophobicContact CZ-CB 4.16Å; F225-L312 HydrophobicContact CD1-CD1 3.8Å; F225-L312 HydrophobicContact CD1-CD2 4.38Å; F225-L312 HydrophobicContact CD1-CG 3.97Å; F225-L312 HydrophobicContact CE1-CD1 3.34Å; F225-L312 HydrophobicContact CE1-CG 3.99Å; F225-L312 HydrophobicContact CE2-CD1 4.23Å; F225-L312 HydrophobicContact CG-CD1 4.44Å; F225-L312 HydrophobicContact CZ-CD1 3.57Å; F225-N313 PolarHBondContact N-O 3.5Å; F225-L314 HydrophobicContact CB-CD1 3.73Å; F225-I316 VanDerWaalsContact O-CD1 3.26Å; F225-I316 WeakPolarHBondContact O-CD1 3.47Å
226	D	90.4	Very high	91.5	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	-155.8	-173.9	-144.4	-66.6	0	0	0	111.8	R142 V224 G228 H257 G258 F283 R284 V285	R142-D226 IonicContact NH1-OD1 2.79Å; V224-D226 HydrophobicContact CG1-CB 4.03Å; D226-G228 PolarHBondContact O-N 2.89Å; D226-H257 IonicContact OD1-CE1 3.16Å; D226-H257 IonicContact OD1-CG 2.73Å; D226-H257 IonicContact OD1-ND1 3.76Å; D226-H257 PolarHBondContact OD1-ND1 3.41Å; D226-H257 IonicContact OD2-CE1 3.96Å; D226-H257 PolarHBondContact OD2-CE1 3.34Å; D226-H257 IonicContact OD2-ND1 3.07Å; D226-H257 PolarHBondContact OD2-ND1 3.46Å; D226-G258 PolarHBondContact OD1-N 3.48Å; D226-F283 PolarHBondContact N-O 3.43Å; D226-F283 VanDerWaalsContact N-O 3.12Å; D226-R284 WeakPolarHBondContact O-CA 2.86Å; D226-V285 PolarHBondContact O-N 2.73Å
227	T	88.8	Confident	91.2	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	19%	0.193	C	C	.	.	S	Bend	trans	-74	2	177.2	64	0	0	0	0	113.6	D253 L255 H257 G258 R284 F286	T227-D253 WeakPolarHBondContact CB-OD1 3.34Å; T227-D253 PolarHBondContact OG1-OD1 2.01Å; T227-L255 HydrophobicContact CG2-CB 4.07Å; T227-L255 HydrophobicContact CG2-CD1 3.43Å; T227-L255 VanDerWaalsContact CG2-CD1 3.43Å; T227-L255 HydrophobicContact CG2-CG 4.37Å; T227-H257 HydrophobicContact CG2-CB 4.44Å; T227-G258 PolarHBondContact OG1-N 3.2Å; T227-R284 PolarHBondContact O-NH1 2.83Å; T227-F286 HydrophobicContact CG2-CB 4.24Å
228	G	89.8	Confident	91	Very high	1 Å²	1	39 Å²	39	1%	0.01	20%	0.203	C	C	.	.			trans	103.8	-163.5	178.9	0	0	0	0	0	113.6	D226 G258 T259	D226-G228 PolarHBondContact O-N 2.89Å; G228-G258 CarbonylContact O-C 3.26Å; G228-G258 VanDerWaalsContact O-CA 3.24Å; G228-G258 WeakPolarHBondContact O-CA 3.38Å; G228-T259 PolarHBondContact O-N 3.49Å
229	L	91.5	Very high	91	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	20%	0.196	C	C	.	.			trans	-143.7	139.3	-179.8	176.3	63.5	0	0	0	109	F236 V239 R242 T259 A262 I282	L229-F236 HydrophobicContact CD1-CD2 3.84Å; L229-F236 HydrophobicContact CD1-CE1 4.43Å; L229-F236 HydrophobicContact CD1-CE2 3.41Å; L229-F236 VanDerWaalsContact CD1-CE2 3.41Å; L229-F236 HydrophobicContact CD1-CZ 3.73Å; L229-F236 HydrophobicContact CD2-CD2 4.28Å; L229-F236 HydrophobicContact CD2-CG 4.29Å; L229-V239 HydrophobicContact CD2-CG1 4.34Å; L229-V239 HydrophobicContact CD2-CG2 3.7Å; L229-R242 PolarHBondContact O-NE 3.22Å; L229-R242 VanDerWaalsContact O-NE 3.17Å; L229-R242 PolarHBondContact O-NH2 3.2Å; L229-T259 HydrophobicContact CD1-CG2 3.98Å; L229-A262 HydrophobicContact CD1-CB 4.19Å; L229-I282 HydrophobicContact CB-CB 4.24Å; L229-I282 HydrophobicContact CB-CD1 4.26Å; L229-I282 HydrophobicContact CB-CG1 3.81Å; L229-I282 HydrophobicContact CB-CG2 3.68Å; L229-I282 HydrophobicContact CD2-CD1 4.04Å; L229-I282 HydrophobicContact CD2-CG1 3.71Å; L229-I282 HydrophobicContact CG-CG1 4.4Å
230	S	89.3	Confident	91.1	Very high	30 Å²	30	42.7 Å²	42.7	21%	0.21	21%	0.205	C	C	.	.			trans	-66.9	131.7	173.9	177.5	0	0	0	0	112.4	K232 H233 T259	S230-K232 PolarHBondContact O-N 2.92Å; S230-H233 WeakPolarHBondContact O-CB 3.35Å; S230-T259 PolarHBondContact N-OG1 2.77Å
231	E	81.9	Confident	91	Very high	133 Å²	133	44.5 Å²	44.5	62%	0.621	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-47.8	-175.4	-168.5	171.1	-179.5	0	0	114.5	H233 R242 D252	E231-H233 VanDerWaalsContact C-N 3.32Å; E231-H233 PolarHBondContact O-N 3.48Å; E231-R242 VanDerWaalsContact CA-NH1 3.27Å; E231-D252 PolarHBondContact N-OD1 3.19Å
232	K	83	Confident	90.9	Very high	185 Å²	185	43.8 Å²	43.8	80%	0.804	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	23.6	-169	-63.6	-179.6	-178.1	175.4	0	112.5	S230	S230-K232 PolarHBondContact O-N 2.92Å
233	H	88.3	Confident	90.7	Very high	10 Å²	10	44.2 Å²	44.2	5%	0.046	21%	0.213	C	C	.	.			trans	-77.1	121.5	-170.7	-169.8	-71	0	0	0	111.8	S230 E231 H235 F236 G410 G413	S230-H233 WeakPolarHBondContact O-CB 3.35Å; E231-H233 VanDerWaalsContact C-N 3.32Å; E231-H233 PolarHBondContact O-N 3.48Å; H233-H235 AromaticContact CE1-CD2 3.81Å; H233-H235 AromaticContact CE1-CG 3.32Å; H233-H235 AromaticContact CE1-ND1 3.48Å; H233-H235 PolarHBondContact CE1-ND1 3.47Å; H233-H235 WeakPolarHBondContact ND1-CB 3.35Å; H233-H235 AromaticContact ND1-CG 3.79Å; H233-H235 PolarHBondContact ND1-N 3.06Å; H233-H235 PolarHBondContact O-N 3.29Å; H233-F236 HydrophobicContact CB-CD2 3.82Å; H233-F236 HydrophobicContact CB-CE2 4.07Å; H233-F236 AromaticContact CE1-CE2 3.87Å; H233-F236 AromaticContact CG-CD2 3.79Å; H233-F236 AromaticContact CG-CE2 3.63Å; H233-F236 AromaticContact ND1-CD2 3.39Å; H233-F236 WeakPolarHBondContact ND1-CD2 3.38Å; H233-F236 AromaticContact ND1-CE2 3.23Å; H233-F236 WeakPolarHBondContact ND1-CE2 3.21Å; H233-F236 PolarHBondContact O-N 3.06Å; H233-G410 PolarHBondContact CD2-O 3.21Å; H233-G410 PolarHBondContact NE2-O 3.46Å; H233-G413 WeakPolarHBondContact NE2-CA 3.38Å
234	P	89.3	Confident	90.4	Very high	78 Å²	78	45.5 Å²	45.5	51%	0.506	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-11.8	-166.6	27.8	-36.7	0	0	0	115
235	H	90.6	Very high	90.1	Very high	3 Å²	3	45.6 Å²	45.6	1%	0.014	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-18.2	-179.1	-68	-174	0	0	0	114	H233 S267 M268 E270 S409 G414	H233-H235 AromaticContact CE1-CD2 3.81Å; H233-H235 AromaticContact CE1-CG 3.32Å; H233-H235 AromaticContact CE1-ND1 3.48Å; H233-H235 PolarHBondContact CE1-ND1 3.47Å; H233-H235 WeakPolarHBondContact ND1-CB 3.35Å; H233-H235 AromaticContact ND1-CG 3.79Å; H233-H235 PolarHBondContact ND1-N 3.06Å; H233-H235 PolarHBondContact O-N 3.29Å; H235-S267 WeakPolarHBondContact CB-OG 3.45Å; H235-S267 PolarHBondContact ND1-OG 3.17Å; H235-M268 PolarHBondContact O-N 2.87Å; H235-E270 IonicContact NE2-OE2 2.71Å; H235-S409 PolarHBondContact ND1-OG 3.06Å; H235-G414 PolarHBondContact CE1-O 3.39Å
236	F	91.4	Very high	89.8	Confident	28 Å²	28	46.2 Å²	46.2	12%	0.123	22%	0.224	C	C	.	.			trans	-108.9	132.8	-171.7	-54.4	-77.9	0	0	0	111.1	L229 H233 V239 T259 A262 L280	L229-F236 HydrophobicContact CD1-CD2 3.84Å; L229-F236 HydrophobicContact CD1-CE1 4.43Å; L229-F236 HydrophobicContact CD1-CE2 3.41Å; L229-F236 VanDerWaalsContact CD1-CE2 3.41Å; L229-F236 HydrophobicContact CD1-CZ 3.73Å; L229-F236 HydrophobicContact CD2-CD2 4.28Å; L229-F236 HydrophobicContact CD2-CG 4.29Å; H233-F236 HydrophobicContact CB-CD2 3.82Å; H233-F236 HydrophobicContact CB-CE2 4.07Å; H233-F236 AromaticContact CE1-CE2 3.87Å; H233-F236 AromaticContact CG-CD2 3.79Å; H233-F236 AromaticContact CG-CE2 3.63Å; H233-F236 AromaticContact ND1-CD2 3.39Å; H233-F236 WeakPolarHBondContact ND1-CD2 3.38Å; H233-F236 AromaticContact ND1-CE2 3.23Å; H233-F236 WeakPolarHBondContact ND1-CE2 3.21Å; H233-F236 PolarHBondContact O-N 3.06Å; F236-V239 HydrophobicContact CB-CG2 3.86Å; F236-T259 HydrophobicContact CE2-CG2 4.22Å; F236-A262 VanDerWaalsContact CE1-C 3.49Å; F236-A262 HydrophobicContact CE1-CB 3.89Å; F236-A262 WeakPolarHBondContact CE1-O 3.44Å; F236-A262 HydrophobicContact CZ-CB 4.05Å; F236-L280 HydrophobicContact CD1-CD1 3.62Å; F236-L280 HydrophobicContact CE1-CD1 4.16Å; F236-L280 HydrophobicContact CG-CD1 4.46Å
237	K	85.9	Confident	89.6	Confident	158 Å²	158	52.3 Å²	52.3	69%	0.687	26%	0.257	S	S	*	.	S	Bend	trans	-108.9	-38.5	179.7	-172.7	-167.4	179.7	-174.9	0	113	M268	K237-M268 HydrophobicContact CB-CE 3.46Å; K237-M268 VanDerWaalsContact CB-CE 3.46Å; K237-M268 HydrophobicContact CB-SD 3.47Å; K237-M268 WeakPolarHBondContact CB-SD 3.11Å; K237-M268 HydrophobicContact CD-CE 3.49Å; K237-M268 VanDerWaalsContact CD-CE 3.49Å; K237-M268 HydrophobicContact CD-SD 3.65Å; K237-M268 HydrophobicContact CG-CE 4.11Å; K237-M268 HydrophobicContact CG-SD 4.16Å
238	N	90.6	Very high	89.5	Confident	39 Å²	39	54.8 Å²	54.8	21%	0.209	27%	0.268	C	S	.	.			trans	-119.9	56.7	-166.7	-166.3	24.9	0	0	0	111.7	K240 N277 A278 E279 L280	N238-K240 PolarHBondContact O-N 3.2Å; N238-K240 WeakPolarHBondContact OD1-CE 3.41Å; N238-K240 PolarHBondContact OD1-NZ 2.94Å; N238-N277 PolarHBondContact ND2-O 2.87Å; N238-A278 WeakPolarHBondContact CB-O 3.32Å; N238-A278 PolarHBondContact ND2-O 3.05Å; N238-E279 WeakPolarHBondContact ND2-CG 3.33Å; N238-L280 PolarHBondContact O-N 3.16Å
239	V	93.9	Very high	89.3	Confident	52 Å²	52	67.2 Å²	67.2	32%	0.315	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	106.6	169.8	-175.2	0	0	0	0	107.3	L229 F236 R242 L280 I282	L229-V239 HydrophobicContact CD2-CG1 4.34Å; L229-V239 HydrophobicContact CD2-CG2 3.7Å; F236-V239 HydrophobicContact CB-CG2 3.86Å; V239-R242 HydrophobicContact CG1-CG 3.74Å; V239-L280 HydrophobicContact CG2-CB 4.48Å; V239-L280 HydrophobicContact CG2-CD1 4.28Å; V239-I282 HydrophobicContact CG1-CG1 4.37Å
240	K	94.1	Very high	89.1	Confident	112 Å²	112	69.3 Å²	69.3	49%	0.487	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-39.9	179.8	-69.4	-57.1	-168.9	-177	0	111.6	N238 E279 L280	N238-K240 PolarHBondContact O-N 3.2Å; N238-K240 WeakPolarHBondContact OD1-CE 3.41Å; N238-K240 PolarHBondContact OD1-NZ 2.94Å; K240-E279 WeakPolarHBondContact CE-OE1 3.43Å; K240-E279 HydrophobicContact CG-CB 3.72Å; K240-E279 HydrophobicContact CG-CG 4.02Å; K240-E279 IonicContact NZ-OE1 3.28Å; K240-L280 PolarHBondContact N-O 2.9Å
241	E	92.3	Very high	88.8	Confident	39 Å²	39	71.3 Å²	71.3	18%	0.182	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	139.9	-171.5	-159.7	177.3	-168.7	0	0	111	T243 L280 H281 I282 Y303	E241-T243 HydrophobicContact CG-CG2 3.79Å; E241-T243 WeakPolarHBondContact OE1-CG2 3.25Å; E241-L280 PolarHBondContact N-O 2.87Å; E241-H281 IonicContact OE2-CE1 3.55Å; E241-H281 IonicContact OE2-ND1 3.87Å; E241-H281 PolarHBondContact OE2-ND1 3.26Å; E241-H281 VanDerWaalsContact OE2-ND1 3.16Å; E241-I282 PolarHBondContact O-N 2.85Å; E241-Y303 WeakPolarHBondContact OE1-CE1 3.2Å; E241-Y303 PolarHBondContact OE1-OH 2.64Å
242	R	93.7	Very high	89.1	Confident	47 Å²	47	68 Å²	68	18%	0.177	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	118.8	166.6	-68.6	169.7	65.2	-149.8	6.2	106.5	L229 E231 V239 L251 D252 I282	L229-R242 PolarHBondContact O-NE 3.22Å; L229-R242 VanDerWaalsContact O-NE 3.17Å; L229-R242 PolarHBondContact O-NH2 3.2Å; E231-R242 VanDerWaalsContact CA-NH1 3.27Å; V239-R242 HydrophobicContact CG1-CG 3.74Å; R242-L251 HydrophobicContact CB-CB 4.49Å; R242-L251 HydrophobicContact CB-CD1 4.45Å; R242-L251 HydrophobicContact CB-CD2 4.43Å; R242-L251 PolarHBondContact NH2-O 3.16Å; R242-D252 IonicContact CZ-OD1 3.05Å; R242-D252 IonicContact NH1-OD1 3.67Å; R242-D252 IonicContact NH2-OD1 3.89Å; R242-D252 PolarHBondContact NH2-OD1 2.85Å; R242-I282 WeakPolarHBondContact CA-O 3.39Å; R242-I282 HydrophobicContact CG-CB 4.07Å; R242-I282 HydrophobicContact CG-CG1 4.34Å
243	T	92.8	Very high	89.2	Confident	8 Å²	8	59.5 Å²	59.5	5%	0.049	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	146.7	178.8	56.7	0	0	0	0	110.1	P101 E241 W245 I282 F283 R284 Y303	P101-T243 HydrophobicContact CG-CG2 4.09Å; E241-T243 HydrophobicContact CG-CG2 3.79Å; E241-T243 WeakPolarHBondContact OE1-CG2 3.25Å; T243-W245 PolarHBondContact OG1-NE1 3.32Å; T243-I282 PolarHBondContact N-O 2.93Å; T243-F283 WeakPolarHBondContact OG1-CD1 3.28Å; T243-R284 PolarHBondContact O-N 2.97Å; T243-Y303 HydrophobicContact CG2-CE1 4.16Å
244	N	91.1	Very high	89	Confident	27 Å²	27	61 Å²	61	14%	0.144	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.5	171.4	-172.6	21.2	0	0	0	110.2	T246 E248 T250 L251	N244-T246 VanDerWaalsContact CG-OG1 3.3Å; N244-T246 PolarHBondContact ND2-O 2.93Å; N244-T246 PolarHBondContact ND2-OG1 2.91Å; N244-T246 VanDerWaalsContact ND2-OG1 3.11Å; N244-T246 WeakPolarHBondContact OD1-CB 3.36Å; N244-T246 WeakPolarHBondContact OD1-CG2 3.34Å; N244-T246 PolarHBondContact OD1-N 2.96Å; N244-T246 PolarHBondContact OD1-OG1 2.84Å; N244-E248 PolarHBondContact ND2-O 3.22Å; N244-T250 PolarHBondContact ND2-O 3.46Å; N244-L251 HydrophobicContact CB-CD2 3.75Å
245	W	90	Very high	88.8	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.015	29%	0.29	C	S	.	.			trans	-102.2	-2.6	176.7	-59.2	95.2	0	0	0	112.1	N100 P101 A102 T243 F283 R284 V285 W296 D299 A300 Y303	N100-W245 HydrophobicContact CB-CE3 3.81Å; N100-W245 HydrophobicContact CB-CZ3 3.86Å; N100-W245 WeakPolarHBondContact OD1-CZ3 3.37Å; P101-W245 HydrophobicContact CB-CH2 4.09Å; P101-W245 HydrophobicContact CG-CH2 4.38Å; A102-W245 HydrophobicContact CB-CH2 3.87Å; A102-W245 HydrophobicContact CB-CZ3 3.67Å; T243-W245 PolarHBondContact OG1-NE1 3.32Å; W245-F283 HydrophobicContact CZ2-CD2 4.41Å; W245-F283 HydrophobicContact CZ2-CE2 4.31Å; W245-F283 AromaticContact NE1-CD2 3.47Å; W245-F283 AromaticContact NE1-CG 3.6Å; W245-R284 PolarHBondContact N-O 3.48Å; W245-V285 HydrophobicContact CB-CG1 4.29Å; W245-V285 HydrophobicContact CG-CG1 4.32Å; W245-W296 HydrophobicContact CB-CB 4.27Å; W245-W296 VanDerWaalsContact O-CD1 3.29Å; W245-W296 PolarHBondContact O-NE1 3.45Å; W245-D299 HydrophobicContact CE3-CB 3.79Å; W245-D299 HydrophobicContact CZ3-CB 3.72Å; W245-A300 HydrophobicContact CD2-CB 3.76Å; W245-A300 HydrophobicContact CE3-CB 4.35Å; W245-A300 HydrophobicContact CG-CB 3.86Å; W245-A300 HydrophobicContact CZ2-CB 4.45Å; W245-Y303 AromaticContact CH2-CD1 3.95Å; W245-Y303 HydrophobicContact CH2-CD1 3.95Å; W245-Y303 HydrophobicContact CH2-CD2 4.04Å; W245-Y303 AromaticContact CH2-CG 3.53Å; W245-Y303 HydrophobicContact CH2-CG 3.53Å; W245-Y303 AromaticContact CZ2-CD1 3.54Å; W245-Y303 HydrophobicContact CZ2-CD1 3.54Å; W245-Y303 HydrophobicContact CZ2-CD2 4.46Å; W245-Y303 HydrophobicContact CZ2-CE1 4.31Å; W245-Y303 AromaticContact CZ2-CG 3.62Å; W245-Y303 HydrophobicContact CZ2-CG 3.62Å
246	T	87.1	Confident	88.6	Confident	12 Å²	12	59.3 Å²	59.3	7%	0.074	29%	0.291	C	S	.	.	S	Bend	trans	-93.9	168.2	179	76.6	0	0	0	0	112.2	N244 E248 R284 T287 W296	N244-T246 VanDerWaalsContact CG-OG1 3.3Å; N244-T246 PolarHBondContact ND2-O 2.93Å; N244-T246 PolarHBondContact ND2-OG1 2.91Å; N244-T246 VanDerWaalsContact ND2-OG1 3.11Å; N244-T246 WeakPolarHBondContact OD1-CB 3.36Å; N244-T246 WeakPolarHBondContact OD1-CG2 3.34Å; N244-T246 PolarHBondContact OD1-N 2.96Å; N244-T246 PolarHBondContact OD1-OG1 2.84Å; T246-E248 VanDerWaalsContact C-N 3.26Å; T246-E248 PolarHBondContact O-N 3.03Å; T246-E248 PolarHBondContact OG1-N 2.81Å; T246-R284 HydrophobicContact CG2-CG 4.41Å; T246-T287 HydrophobicContact CG2-CG2 4.04Å; T246-W296 HydrophobicContact CG2-CE3 3.78Å; T246-W296 HydrophobicContact CG2-CH2 4.27Å; T246-W296 HydrophobicContact CG2-CZ3 3.53Å
247	N	86	Confident	88.5	Confident	130 Å²	130	58 Å²	58	70%	0.695	29%	0.285	S	S	*	.	S	Bend	trans	-77.2	-5.4	176.9	-67.1	-12.1	0	0	0	114.5	W296	N247-W296 HydrophobicContact CB-CZ2 4.27Å
248	E	86.7	Confident	88.8	Confident	53 Å²	53	50.4 Å²	50.4	25%	0.248	25%	0.252	C	S	.	.	S	Bend	trans	-75.8	153.8	177.6	-67.9	-178.7	161.9	0	0	111.2	N244 T246 T250 R284 T287 N288	N244-E248 PolarHBondContact ND2-O 3.22Å; T246-E248 VanDerWaalsContact C-N 3.26Å; T246-E248 PolarHBondContact O-N 3.03Å; T246-E248 PolarHBondContact OG1-N 2.81Å; E248-T250 VanDerWaalsContact C-N 3.34Å; E248-T250 HydrophobicContact CB-CG2 4.27Å; E248-T250 PolarHBondContact O-N 2.99Å; E248-R284 IonicContact OE2-CZ 3.32Å; E248-R284 IonicContact OE2-NH2 2.66Å; E248-R284 PolarHBondContact OE2-NH2 2.89Å; E248-T287 HydrophobicContact CG-CG2 4.17Å; E248-T287 WeakPolarHBondContact OE1-CB 3.32Å; E248-N288 PolarHBondContact OE1-N 2.95Å; E248-N288 PolarHBondContact OE2-N 3.31Å
249	R	86	Confident	88.9	Confident	262 Å²	262	48.6 Å²	48.6	99%	0.989	24%	0.242	S	C	*	.	S	Bend	trans	-98.4	49.9	180	-63.4	-175.9	-177.5	-179.4	0.6	111.8
250	T	86.1	Confident	88.9	Confident	45 Å²	45	46.2 Å²	46.2	28%	0.276	23%	0.228	S	C	.	.			trans	-144.7	146.1	179.9	-175.8	0	0	0	0	112.3	N244 E248 D252	N244-T250 PolarHBondContact ND2-O 3.46Å; E248-T250 VanDerWaalsContact C-N 3.34Å; E248-T250 HydrophobicContact CB-CG2 4.27Å; E248-T250 PolarHBondContact O-N 2.99Å; T250-D252 PolarHBondContact OG1-N 3.09Å; T250-D252 VanDerWaalsContact OG1-N 3.13Å
251	L	84.9	Confident	88.9	Confident	72 Å²	72	40.9 Å²	40.9	38%	0.377	21%	0.205	S	C	.	.			trans	-103.4	-10.3	172.1	-64.5	169.2	0	0	0	112	R242 N244	R242-L251 HydrophobicContact CB-CB 4.49Å; R242-L251 HydrophobicContact CB-CD1 4.45Å; R242-L251 HydrophobicContact CB-CD2 4.43Å; R242-L251 PolarHBondContact NH2-O 3.16Å; N244-L251 HydrophobicContact CB-CD2 3.75Å
252	D	87.1	Confident	89	Confident	64 Å²	64	39 Å²	39	34%	0.342	20%	0.196	S	C	.	.	S	Bend	trans	-76.2	149.8	-176.8	-82.9	-28	0	0	0	112.1	E231 R242 T250 G254	E231-D252 PolarHBondContact N-OD1 3.19Å; R242-D252 IonicContact CZ-OD1 3.05Å; R242-D252 IonicContact NH1-OD1 3.67Å; R242-D252 IonicContact NH2-OD1 3.89Å; R242-D252 PolarHBondContact NH2-OD1 2.85Å; T250-D252 PolarHBondContact OG1-N 3.09Å; T250-D252 VanDerWaalsContact OG1-N 3.13Å; D252-G254 PolarHBondContact O-N 2.81Å
253	D	86.3	Confident	89	Confident	7 Å²	7	36.8 Å²	36.8	4%	0.037	19%	0.188	C	C	.	.			trans	-82.3	104	175.2	-173.4	5.2	0	0	0	110.3	T227 L255 G256 G258 T259 M411	T227-D253 WeakPolarHBondContact CB-OD1 3.34Å; T227-D253 PolarHBondContact OG1-OD1 2.01Å; D253-L255 VanDerWaalsContact C-N 3.32Å; D253-L255 PolarHBondContact OD1-N 2.81Å; D253-L255 VanDerWaalsContact OD1-N 3.1Å; D253-G256 PolarHBondContact OD1-N 2.75Å; D253-G256 WeakPolarHBondContact OD2-CA 3.35Å; D253-G256 PolarHBondContact OD2-N 3.34Å; D253-G258 PolarHBondContact OD2-N 2.96Å; D253-T259 WeakPolarHBondContact CB-OG1 3.4Å; D253-T259 VanDerWaalsContact OD2-CB 3.31Å; D253-T259 WeakPolarHBondContact OD2-CB 3.5Å; D253-T259 PolarHBondContact OD2-N 3.41Å; D253-T259 PolarHBondContact OD2-OG1 3.18Å; D253-M411 VanDerWaalsContact O-SD 3.35Å
254	G	83.3	Confident	89.1	Confident	42 Å²	42	36.5 Å²	36.5	43%	0.433	19%	0.186	S	C	.	.	S	Bend	trans	-78.6	-12	176.3	0	0	0	0	0	114.6	D252 N288	D252-G254 PolarHBondContact O-N 2.81Å; G254-N288 WeakPolarHBondContact CA-OD1 3.31Å; G254-N288 PolarHBondContact N-OD1 2.53Å
255	L	83.9	Confident	89.4	Confident	40 Å²	40	35.2 Å²	35.2	21%	0.209	18%	0.179	C	C	.	.	S	Bend	trans	-113.3	-29	-171.4	-68	164	0	0	0	112.9	T227 D253 Q290	T227-L255 HydrophobicContact CG2-CB 4.07Å; T227-L255 HydrophobicContact CG2-CD1 3.43Å; T227-L255 VanDerWaalsContact CG2-CD1 3.43Å; T227-L255 HydrophobicContact CG2-CG 4.37Å; D253-L255 VanDerWaalsContact C-N 3.32Å; D253-L255 PolarHBondContact OD1-N 2.81Å; D253-L255 VanDerWaalsContact OD1-N 3.1Å; L255-Q290 HydrophobicContact CD1-CG 3.45Å; L255-Q290 VanDerWaalsContact CD1-CG 3.45Å; L255-Q290 HydrophobicContact CD2-CG 4.14Å; L255-Q290 HydrophobicContact CG-CG 4.46Å
256	G	87.9	Confident	89.6	Confident	4 Å²	4	35.1 Å²	35.1	4%	0.041	18%	0.179	C	C	.	.	S	Bend	trans	89.7	-7.3	177.5	0	0	0	0	0	115	D253 F260	D253-G256 PolarHBondContact OD1-N 2.75Å; D253-G256 WeakPolarHBondContact OD2-CA 3.35Å; D253-G256 PolarHBondContact OD2-N 3.34Å; G256-F260 WeakPolarHBondContact O-CB 3.45Å; G256-F260 PolarHBondContact O-N 2.94Å; G256-F260 VanDerWaalsContact O-N 3.12Å
257	H	89.8	Confident	89.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68.7	-50.3	-178.8	-175.4	-86.7	0	0	0	111	R142 L144 D226 T227 T259 F260 V261	R142-H257 PolarHBondContact NH2-CE1 3.05Å; R142-H257 PolarHBondContact NH2-ND1 3.38Å; R142-H257 PolarHBondContact NH2-NE2 2.96Å; R142-H257 VanDerWaalsContact NH2-NE2 3.11Å; L144-H257 HydrophobicContact CD1-CB 3.84Å; D226-H257 IonicContact OD1-CE1 3.16Å; D226-H257 IonicContact OD1-CG 2.73Å; D226-H257 IonicContact OD1-ND1 3.76Å; D226-H257 PolarHBondContact OD1-ND1 3.41Å; D226-H257 IonicContact OD2-CE1 3.96Å; D226-H257 PolarHBondContact OD2-CE1 3.34Å; D226-H257 IonicContact OD2-ND1 3.07Å; D226-H257 PolarHBondContact OD2-ND1 3.46Å; T227-H257 HydrophobicContact CG2-CB 4.44Å; H257-T259 VanDerWaalsContact C-N 3.31Å; H257-T259 PolarHBondContact O-N 3.46Å; H257-F260 WeakPolarHBondContact O-CB 3.48Å; H257-F260 PolarHBondContact O-N 3.27Å; H257-F260 VanDerWaalsContact O-N 3.11Å; H257-V261 VanDerWaalsContact CE1-CG2 3.48Å; H257-V261 WeakPolarHBondContact CE1-CG2 3.3Å; H257-V261 WeakPolarHBondContact O-CG2 3.45Å; H257-V261 PolarHBondContact O-N 3.04Å
258	G	90.6	Very high	90	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.3	-38.1	177	0	0	0	0	0	113.4	D226 T227 G228 D253 F260 V261 A262	D226-G258 PolarHBondContact OD1-N 3.48Å; T227-G258 PolarHBondContact OG1-N 3.2Å; G228-G258 CarbonylContact O-C 3.26Å; G228-G258 VanDerWaalsContact O-CA 3.24Å; G228-G258 WeakPolarHBondContact O-CA 3.38Å; D253-G258 PolarHBondContact OD2-N 2.96Å; G258-F260 VanDerWaalsContact C-N 3.35Å; G258-F260 PolarHBondContact O-N 3.13Å; G258-V261 PolarHBondContact O-N 3.34Å; G258-A262 WeakPolarHBondContact O-CB 3.47Å; G258-A262 PolarHBondContact O-N 2.76Å
259	T	93.4	Very high	89.6	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.1	-40.8	174.1	-58.1	0	0	0	0	112	G228 L229 S230 F236 D253 H257 G263	G228-T259 PolarHBondContact O-N 3.49Å; L229-T259 HydrophobicContact CD1-CG2 3.98Å; S230-T259 PolarHBondContact N-OG1 2.77Å; F236-T259 HydrophobicContact CE2-CG2 4.22Å; D253-T259 WeakPolarHBondContact CB-OG1 3.4Å; D253-T259 VanDerWaalsContact OD2-CB 3.31Å; D253-T259 WeakPolarHBondContact OD2-CB 3.5Å; D253-T259 PolarHBondContact OD2-N 3.41Å; D253-T259 PolarHBondContact OD2-OG1 3.18Å; H257-T259 VanDerWaalsContact C-N 3.31Å; H257-T259 PolarHBondContact O-N 3.46Å; T259-G263 PolarHBondContact O-N 2.86Å
260	F	93.4	Very high	89.3	Confident	2 Å²	2	31 Å²	31	1%	0.009	16%	0.16	C	C	.	.	H	α-helix	trans	-64.5	-48	175.7	175.7	-84.4	0	0	0	111.4	G256 H257 G258 G263 V264 V406 S409 R416 L418 V423	G256-F260 WeakPolarHBondContact O-CB 3.45Å; G256-F260 PolarHBondContact O-N 2.94Å; G256-F260 VanDerWaalsContact O-N 3.12Å; H257-F260 WeakPolarHBondContact O-CB 3.48Å; H257-F260 PolarHBondContact O-N 3.27Å; H257-F260 VanDerWaalsContact O-N 3.11Å; G258-F260 VanDerWaalsContact C-N 3.35Å; G258-F260 PolarHBondContact O-N 3.13Å; F260-G263 WeakPolarHBondContact O-CA 3.25Å; F260-G263 PolarHBondContact O-N 3.24Å; F260-G263 VanDerWaalsContact O-N 3.1Å; F260-V264 HydrophobicContact CD1-CG2 4.35Å; F260-V264 HydrophobicContact CE1-CG2 3.87Å; F260-V264 HydrophobicContact CZ-CG2 4.11Å; F260-V264 PolarHBondContact O-N 3.49Å; F260-V406 HydrophobicContact CZ-CG1 4.43Å; F260-V406 WeakPolarHBondContact CZ-O 3.19Å; F260-S409 WeakPolarHBondContact CA-O 3.44Å; F260-R416 WeakPolarHBondContact CE2-O 3.4Å; F260-L418 HydrophobicContact CB-CD1 4.2Å; F260-L418 HydrophobicContact CD1-CD1 3.81Å; F260-L418 HydrophobicContact CD2-CD1 3.72Å; F260-L418 HydrophobicContact CD2-CG 3.99Å; F260-L418 HydrophobicContact CE1-CB 4.17Å; F260-L418 HydrophobicContact CE1-CD1 4.09Å; F260-L418 HydrophobicContact CE2-CB 3.91Å; F260-L418 HydrophobicContact CE2-CD1 3.97Å; F260-L418 HydrophobicContact CE2-CG 3.83Å; F260-L418 HydrophobicContact CG-CD1 3.63Å; F260-L418 HydrophobicContact CG-CG 4.39Å; F260-L418 HydrophobicContact CZ-CB 3.74Å; F260-L418 HydrophobicContact CZ-CD1 4.17Å; F260-L418 HydrophobicContact CZ-CG 4.12Å; F260-V423 HydrophobicContact CE1-CB 4.13Å; F260-V423 HydrophobicContact CE1-CG1 3.61Å; F260-V423 HydrophobicContact CE1-CG2 3.75Å; F260-V423 HydrophobicContact CZ-CG1 3.74Å; F260-V423 HydrophobicContact CZ-CG2 4.25Å
261	V	94.3	Very high	89.4	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.8	-52.2	178.9	169.3	0	0	0	0	110.9	V224 H257 G258 G263 V264 I265 N313 P426	V224-V261 HydrophobicContact CG1-CB 4.36Å; V224-V261 HydrophobicContact CG1-CG1 3.65Å; H257-V261 VanDerWaalsContact CE1-CG2 3.48Å; H257-V261 WeakPolarHBondContact CE1-CG2 3.3Å; H257-V261 WeakPolarHBondContact O-CG2 3.45Å; H257-V261 PolarHBondContact O-N 3.04Å; G258-V261 PolarHBondContact O-N 3.34Å; V261-G263 PolarHBondContact O-N 3.08Å; V261-V264 PolarHBondContact O-N 2.97Å; V261-I265 HydrophobicContact CG1-CD1 4.47Å; V261-I265 PolarHBondContact O-N 3.19Å; V261-N313 WeakPolarHBondContact CG1-ND2 3.11Å; V261-P426 HydrophobicContact CG1-CB 3.9Å; V261-P426 HydrophobicContact CG1-CG 4.22Å; V261-P426 HydrophobicContact CG2-CG 4.36Å
262	A	94.9	Very high	89.6	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.8	-36.5	175.3	0	0	0	0	0	111.5	V224 L229 F236 G258 I265 A266 I282	V224-A262 HydrophobicContact CG2-CB 4.48Å; L229-A262 HydrophobicContact CD1-CB 4.19Å; F236-A262 VanDerWaalsContact CE1-C 3.49Å; F236-A262 HydrophobicContact CE1-CB 3.89Å; F236-A262 WeakPolarHBondContact CE1-O 3.44Å; F236-A262 HydrophobicContact CZ-CB 4.05Å; G258-A262 WeakPolarHBondContact O-CB 3.47Å; G258-A262 PolarHBondContact O-N 2.76Å; A262-I265 PolarHBondContact O-N 2.89Å; A262-A266 PolarHBondContact O-N 3.08Å; A262-I282 HydrophobicContact CB-CD1 4.14Å
263	G	94.2	Very high	89.9	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61	-46.8	177.6	0	0	0	0	0	113.3	T259 F260 V261 I265 S267 S409	T259-G263 PolarHBondContact O-N 2.86Å; F260-G263 WeakPolarHBondContact O-CA 3.25Å; F260-G263 PolarHBondContact O-N 3.24Å; F260-G263 VanDerWaalsContact O-N 3.1Å; V261-G263 PolarHBondContact O-N 3.08Å; G263-I265 PolarHBondContact O-N 3.29Å; G263-S267 WeakPolarHBondContact O-CB 3.47Å; G263-S267 PolarHBondContact O-N 3.44Å; G263-S409 WeakPolarHBondContact CA-OG 3.32Å
264	V	95.1	Very high	90.3	Very high	3 Å²	3	25 Å²	25	2%	0.018	12%	0.124	C	C	.	.	H	α-helix	trans	-60.3	-34.9	176.2	174	0	0	0	0	111.2	F260 V261 G273 F274 V406 P426 V427	F260-V264 HydrophobicContact CD1-CG2 4.35Å; F260-V264 HydrophobicContact CE1-CG2 3.87Å; F260-V264 HydrophobicContact CZ-CG2 4.11Å; F260-V264 PolarHBondContact O-N 3.49Å; V261-V264 PolarHBondContact O-N 2.97Å; V264-G273 WeakPolarHBondContact O-CA 3.31Å; V264-F274 PolarHBondContact O-N 2.79Å; V264-V406 HydrophobicContact CG2-CG1 4.33Å; V264-P426 HydrophobicContact CB-CB 4.17Å; V264-P426 HydrophobicContact CB-CG 4.38Å; V264-P426 HydrophobicContact CG1-CB 4.14Å; V264-P426 HydrophobicContact CG1-CG 4.35Å; V264-V427 HydrophobicContact CG1-CB 4.39Å; V264-V427 HydrophobicContact CG1-CG2 3.65Å
265	I	96.3	Very high	90.9	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-74.4	-55.9	179.6	-63.9	170.3	0	0	0	111.5	V222 V224 V261 A262 G263 F274 A275 L280 N313 P426 A429	V222-I265 HydrophobicContact CG1-CD1 4.33Å; V222-I265 HydrophobicContact CG1-CG2 4.07Å; V224-I265 HydrophobicContact CG2-CD1 3.81Å; V261-I265 HydrophobicContact CG1-CD1 4.47Å; V261-I265 PolarHBondContact O-N 3.19Å; A262-I265 PolarHBondContact O-N 2.89Å; G263-I265 PolarHBondContact O-N 3.29Å; I265-F274 PolarHBondContact O-N 2.99Å; I265-A275 PolarHBondContact O-N 2.9Å; I265-L280 HydrophobicContact CG2-CD2 4.4Å; I265-N313 HydrophobicContact CD1-CB 4.03Å; I265-P426 HydrophobicContact CD1-CB 4.12Å; I265-P426 HydrophobicContact CG1-CB 3.91Å; I265-A429 HydrophobicContact CD1-CB 4.13Å; I265-A429 HydrophobicContact CG1-CB 4.39Å
266	A	95.2	Very high	91.4	Very high	2 Å²	2	21.6 Å²	21.6	2%	0.017	10%	0.097	C	C	.	.	H	α-helix	trans	-137.7	19.9	-163.3	0	0	0	0	0	115.8	A262 A275 L280	A262-A266 PolarHBondContact O-N 3.08Å; A266-A275 WeakPolarHBondContact CA-O 3.33Å; A266-A275 WeakPolarHBondContact CB-O 3.28Å; A266-L280 HydrophobicContact CB-CD1 3.95Å; A266-L280 HydrophobicContact CB-CD2 3.87Å; A266-L280 HydrophobicContact CB-CG 3.96Å
267	S	93.4	Very high	91.7	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.109	C	C	.	.			trans	-64.3	139.1	172.7	170.8	0	0	0	0	112.4	H235 G263 R269 C271 G273	H235-S267 WeakPolarHBondContact CB-OG 3.45Å; H235-S267 PolarHBondContact ND1-OG 3.17Å; G263-S267 WeakPolarHBondContact O-CB 3.47Å; G263-S267 PolarHBondContact O-N 3.44Å; S267-R269 PolarHBondContact OG-O 3.31Å; S267-C271 WeakPolarHBondContact CB-O 3.17Å; S267-C271 PolarHBondContact OG-O 2.99Å; S267-G273 PolarHBondContact O-N 2.75Å
268	M	86.9	Confident	92.1	Very high	53 Å²	53	24.1 Å²	24.1	26%	0.261	11%	0.109	S	C	.	.			trans	-100.3	-21	178.4	-62.7	-161.3	167.9	0	0	114.9	H235 K237 P276 N277	H235-M268 PolarHBondContact O-N 2.87Å; K237-M268 HydrophobicContact CB-CE 3.46Å; K237-M268 VanDerWaalsContact CB-CE 3.46Å; K237-M268 HydrophobicContact CB-SD 3.47Å; K237-M268 WeakPolarHBondContact CB-SD 3.11Å; K237-M268 HydrophobicContact CD-CE 3.49Å; K237-M268 VanDerWaalsContact CD-CE 3.49Å; K237-M268 HydrophobicContact CD-SD 3.65Å; K237-M268 HydrophobicContact CG-CE 4.11Å; K237-M268 HydrophobicContact CG-SD 4.16Å; M268-P276 HydrophobicContact CE-CB 4.11Å; M268-P276 WeakPolarHBondContact CE-O 3.36Å; M268-P276 HydrophobicContact CG-CB 3.74Å; M268-N277 WeakPolarHBondContact CE-OD1 3.18Å
269	R	78.3	Confident	92.3	Very high	169 Å²	169	26.3 Å²	26.3	64%	0.638	12%	0.12	S	C	*	.	S	Bend	trans	-127.2	146.5	-168.7	-68.6	-174	171.9	-167.3	-0.7	110.9	S267 C271	S267-R269 PolarHBondContact OG-O 3.31Å; R269-C271 PolarHBondContact O-N 3.01Å
270	E	80.7	Confident	92.5	Very high	148 Å²	148	26.5 Å²	26.5	69%	0.692	12%	0.121	S	C	*	.	S	Bend	trans	57.3	-65.4	176.8	-58	179.7	-167.8	0	0	115.1	H235 G414	H235-E270 IonicContact NE2-OE2 2.71Å; E270-G414 WeakPolarHBondContact OE2-CA 3.45Å
271	C	87.1	Confident	92.6	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-102.2	75.1	173.1	-82.6	0	0	0	0	109.6	S267 R269 G273 C415	S267-C271 WeakPolarHBondContact CB-O 3.17Å; S267-C271 PolarHBondContact OG-O 2.99Å; R269-C271 PolarHBondContact O-N 3.01Å; C271-G273 PolarHBondContact O-N 3.39Å; C271-C415 HydrophobicContact CB-CB 4.35Å; C271-C415 WeakPolarHBondContact CB-SG 3.46Å; C271-C415 PolarHBondContact N-SG 2.97Å; C271-C415 VanDerWaalsContact N-SG 3.36Å; C271-C415 VanDerWaalsContact SG-CA 3.59Å; C271-C415 WeakPolarHBondContact SG-CB 3.45Å; C271-C415 CovalentContact SG-SG 2.01Å; C271-C415 PolarHBondContact SG-SG 3.44Å
272	Q	88.9	Confident	92.7	Very high	60 Å²	60	27.2 Å²	27.2	28%	0.28	12%	0.124	S	C	.	.			trans	-62.7	126.7	-175.5	-163.1	168.8	8	0	0	111.4	Q200 W211	Q200-Q272 WeakPolarHBondContact CG-O 3.46Å; Q200-Q272 PolarHBondContact NE2-O 2.93Å; W211-Q272 HydrophobicContact CH2-CB 4.41Å; W211-Q272 HydrophobicContact CH2-CG 3.74Å; W211-Q272 HydrophobicContact CZ2-CG 4.33Å; W211-Q272 VanDerWaalsContact CZ3-CD 3.43Å; W211-Q272 HydrophobicContact CZ3-CG 4.17Å
273	G	92.9	Very high	92.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.124	C	C	.	.			trans	-81.5	176.4	173	0	0	0	0	0	111.7	W211 V264 S267 C271	W211-G273 WeakPolarHBondContact CZ2-O 3.36Å; V264-G273 WeakPolarHBondContact O-CA 3.31Å; S267-G273 PolarHBondContact O-N 2.75Å; C271-G273 PolarHBondContact O-N 3.39Å
274	F	95.9	Very high	92.6	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.009	12%	0.124	C	C	.	.	S	Bend	trans	-72.1	-40.3	-177.1	-76.4	-95.6	0	0	0	114.1	V201 A202 L205 A207 W211 V264 I265 P276 V427 G430 A431	V201-F274 HydrophobicContact CG1-CE2 4.2Å; V201-F274 HydrophobicContact CG1-CZ 3.99Å; A202-F274 HydrophobicContact CB-CD1 4.33Å; A202-F274 HydrophobicContact CB-CD2 4.28Å; A202-F274 HydrophobicContact CB-CE1 4.29Å; A202-F274 HydrophobicContact CB-CE2 4.21Å; A202-F274 HydrophobicContact CB-CG 4.32Å; A202-F274 HydrophobicContact CB-CZ 4.2Å; L205-F274 HydrophobicContact CB-CE1 4.04Å; L205-F274 HydrophobicContact CB-CZ 4.29Å; L205-F274 HydrophobicContact CD1-CE1 4.11Å; L205-F274 HydrophobicContact CD1-CZ 3.75Å; A207-F274 HydrophobicContact CB-CD1 3.91Å; A207-F274 HydrophobicContact CB-CE1 4.27Å; W211-F274 PolarHBondContact NE1-O 3.17Å; V264-F274 PolarHBondContact O-N 2.79Å; I265-F274 PolarHBondContact O-N 2.99Å; F274-P276 VanDerWaalsContact C-CD 3.48Å; F274-P276 WeakPolarHBondContact O-CD 3.23Å; F274-V427 HydrophobicContact CE2-CB 4.24Å; F274-V427 HydrophobicContact CE2-CG1 3.77Å; F274-V427 HydrophobicContact CE2-CG2 4.4Å; F274-V427 HydrophobicContact CZ-CG1 3.7Å; F274-G430 WeakPolarHBondContact CB-O 3.43Å; F274-A431 HydrophobicContact CD1-CB 4.2Å; F274-A431 HydrophobicContact CE1-CB 4.37Å
275	A	95.9	Very high	92.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	12%	0.123	C	C	.	.			trans	-126.6	68.1	-169.5	0	0	0	0	0	110.8	T216 I265 A266 N277 A278 T433 L434	T216-A275 CarbonylContact O-C 3.6Å; T216-A275 WeakPolarHBondContact O-CA 3.35Å; I265-A275 PolarHBondContact O-N 2.9Å; A266-A275 WeakPolarHBondContact CA-O 3.33Å; A266-A275 WeakPolarHBondContact CB-O 3.28Å; A275-N277 VanDerWaalsContact C-N 3.27Å; A275-N277 PolarHBondContact O-N 3.12Å; A275-A278 HydrophobicContact CB-CB 4.05Å; A275-A278 VanDerWaalsContact O-CB 3.29Å; A275-A278 WeakPolarHBondContact O-CB 3.49Å; A275-A278 PolarHBondContact O-N 3.06Å; A275-A278 VanDerWaalsContact O-N 3.13Å; A275-T433 HydrophobicContact CB-CG2 3.47Å; A275-T433 VanDerWaalsContact CB-CG2 3.47Å; A275-L434 HydrophobicContact CB-CB 4.49Å
276	P	94.1	Very high	91.8	Very high	11 Å²	11	27.2 Å²	27.2	7%	0.071	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-32.5	-171.4	20.2	-31.5	0	0	0	114.3	T216 M268 F274	T216-P276 WeakPolarHBondContact O-CD 3.43Å; M268-P276 HydrophobicContact CE-CB 4.11Å; M268-P276 WeakPolarHBondContact CE-O 3.36Å; M268-P276 HydrophobicContact CG-CB 3.74Å; F274-P276 VanDerWaalsContact C-CD 3.48Å; F274-P276 WeakPolarHBondContact O-CD 3.23Å
277	N	95.3	Very high	91.4	Very high	55 Å²	55	27.6 Å²	27.6	29%	0.294	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	8.9	-178.1	-72.6	-33.2	0	0	0	113.9	T216 A218 N238 M268 A275	T216-N277 PolarHBondContact O-N 3.5Å; T216-N277 PolarHBondContact OG1-ND2 2.82Å; A218-N277 HydrophobicContact CB-CB 4.24Å; N238-N277 PolarHBondContact ND2-O 2.87Å; M268-N277 WeakPolarHBondContact CE-OD1 3.18Å; A275-N277 VanDerWaalsContact C-N 3.27Å; A275-N277 PolarHBondContact O-N 3.12Å
278	A	96.4	Very high	91	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.008	14%	0.141	C	C	.	.	S	Bend	trans	-63.1	154.3	175.2	0	0	0	0	0	112.4	G217 V222 N238 A275 L280 T433	G217-A278 VanDerWaalsContact O-CA 3.28Å; G217-A278 WeakPolarHBondContact O-CA 3.03Å; V222-A278 HydrophobicContact CG2-CB 4.08Å; N238-A278 WeakPolarHBondContact CB-O 3.32Å; N238-A278 PolarHBondContact ND2-O 3.05Å; A275-A278 HydrophobicContact CB-CB 4.05Å; A275-A278 VanDerWaalsContact O-CB 3.29Å; A275-A278 WeakPolarHBondContact O-CB 3.49Å; A275-A278 PolarHBondContact O-N 3.06Å; A275-A278 VanDerWaalsContact O-N 3.13Å; A278-L280 PolarHBondContact O-N 3.27Å; A278-T433 HydrophobicContact CB-CG2 3.62Å
279	E	96.6	Very high	90.8	Very high	47 Å²	47	34.1 Å²	34.1	22%	0.22	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	104.4	175.2	-63.8	-168.4	164	0	0	108.9	V220 R221 V222 N238 K240	V220-E279 PolarHBondContact O-N 3.37Å; R221-E279 HydrophobicContact CG-CB 4.12Å; R221-E279 WeakPolarHBondContact CG-OE2 3.48Å; V222-E279 PolarHBondContact N-O 3.31Å; N238-E279 WeakPolarHBondContact ND2-CG 3.33Å; K240-E279 WeakPolarHBondContact CE-OE1 3.43Å; K240-E279 HydrophobicContact CG-CB 3.72Å; K240-E279 HydrophobicContact CG-CG 4.02Å; K240-E279 IonicContact NZ-OE1 3.28Å
280	L	96.3	Very high	91	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.016	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	124.8	-179.6	-71.9	177.3	0	0	0	111	F236 N238 V239 K240 E241 I265 A266 A278 I282	F236-L280 HydrophobicContact CD1-CD1 3.62Å; F236-L280 HydrophobicContact CE1-CD1 4.16Å; F236-L280 HydrophobicContact CG-CD1 4.46Å; N238-L280 PolarHBondContact O-N 3.16Å; V239-L280 HydrophobicContact CG2-CB 4.48Å; V239-L280 HydrophobicContact CG2-CD1 4.28Å; K240-L280 PolarHBondContact N-O 2.9Å; E241-L280 PolarHBondContact N-O 2.87Å; I265-L280 HydrophobicContact CG2-CD2 4.4Å; A266-L280 HydrophobicContact CB-CD1 3.95Å; A266-L280 HydrophobicContact CB-CD2 3.87Å; A266-L280 HydrophobicContact CB-CG 3.96Å; A278-L280 PolarHBondContact O-N 3.27Å; L280-I282 HydrophobicContact CB-CD1 4.22Å
281	H	96.6	Very high	91.1	Very high	14 Å²	14	21.2 Å²	21.2	7%	0.065	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	110.5	168.4	-70.8	-97.2	0	0	0	108.4	V222 A223 V224 E241 F283 I309	V222-H281 PolarHBondContact O-N 3.41Å; A223-H281 CarbonylContact C-O 3.54Å; A223-H281 VanDerWaalsContact CA-O 3.24Å; A223-H281 WeakPolarHBondContact CA-O 3.34Å; A223-H281 HydrophobicContact CB-CB 4.41Å; V224-H281 PolarHBondContact N-O 3.07Å; E241-H281 IonicContact OE2-CE1 3.55Å; E241-H281 IonicContact OE2-ND1 3.87Å; E241-H281 PolarHBondContact OE2-ND1 3.26Å; E241-H281 VanDerWaalsContact OE2-ND1 3.16Å; H281-F283 HydrophobicContact CB-CD1 4.31Å; H281-F283 HydrophobicContact CB-CE1 3.79Å; H281-I309 HydrophobicContact CB-CD1 3.91Å
282	I	95.5	Very high	91.1	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.015	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	112.9	-173.7	-54.3	-58.7	0	0	0	109.6	V224 L229 V239 E241 R242 T243 A262 L280	V224-I282 HydrophobicContact CB-CD1 3.99Å; V224-I282 HydrophobicContact CG2-CD1 4.2Å; L229-I282 HydrophobicContact CB-CB 4.24Å; L229-I282 HydrophobicContact CB-CD1 4.26Å; L229-I282 HydrophobicContact CB-CG1 3.81Å; L229-I282 HydrophobicContact CB-CG2 3.68Å; L229-I282 HydrophobicContact CD2-CD1 4.04Å; L229-I282 HydrophobicContact CD2-CG1 3.71Å; L229-I282 HydrophobicContact CG-CG1 4.4Å; V239-I282 HydrophobicContact CG1-CG1 4.37Å; E241-I282 PolarHBondContact O-N 2.85Å; R242-I282 WeakPolarHBondContact CA-O 3.39Å; R242-I282 HydrophobicContact CG-CB 4.07Å; R242-I282 HydrophobicContact CG-CG1 4.34Å; T243-I282 PolarHBondContact N-O 2.93Å; A262-I282 HydrophobicContact CB-CD1 4.14Å; L280-I282 HydrophobicContact CB-CD1 4.22Å
283	F	94.4	Very high	91	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	103.2	-176.3	-73	25.7	0	0	0	107.4	V224 F225 D226 T243 W245 H281 V285 A300 Y303 A304	V224-F283 PolarHBondContact O-N 3.11Å; F225-F283 WeakPolarHBondContact CA-O 3.4Å; F225-F283 HydrophobicContact CD1-CB 3.8Å; F225-F283 HydrophobicContact CD1-CD2 4.02Å; F225-F283 HydrophobicContact CD1-CG 4.11Å; F225-F283 HydrophobicContact CE1-CB 3.9Å; F225-F283 AromaticContact CE1-CD2 3.21Å; F225-F283 HydrophobicContact CE1-CD2 3.21Å; F225-F283 AromaticContact CE1-CE2 3.81Å; F225-F283 HydrophobicContact CE1-CE2 3.81Å; F225-F283 AromaticContact CE1-CG 3.72Å; F225-F283 HydrophobicContact CE1-CG 3.72Å; F225-F283 HydrophobicContact CE2-CD2 4.18Å; F225-F283 HydrophobicContact CG-CB 4.21Å; F225-F283 HydrophobicContact CZ-CB 4.42Å; F225-F283 AromaticContact CZ-CD2 3.32Å; F225-F283 HydrophobicContact CZ-CD2 3.32Å; F225-F283 AromaticContact CZ-CE2 3.85Å; F225-F283 HydrophobicContact CZ-CE2 3.85Å; F225-F283 HydrophobicContact CZ-CG 4.21Å; D226-F283 PolarHBondContact N-O 3.43Å; D226-F283 VanDerWaalsContact N-O 3.12Å; T243-F283 WeakPolarHBondContact OG1-CD1 3.28Å; W245-F283 HydrophobicContact CZ2-CD2 4.41Å; W245-F283 HydrophobicContact CZ2-CE2 4.31Å; W245-F283 AromaticContact NE1-CD2 3.47Å; W245-F283 AromaticContact NE1-CG 3.6Å; H281-F283 HydrophobicContact CB-CD1 4.31Å; H281-F283 HydrophobicContact CB-CE1 3.79Å; F283-V285 PolarHBondContact O-N 2.99Å; F283-A300 HydrophobicContact CD2-CB 4.09Å; F283-A300 WeakPolarHBondContact CE2-O 3.49Å; F283-Y303 HydrophobicContact CE1-CD1 4.43Å; F283-Y303 AromaticContact CE2-CD1 3.93Å; F283-Y303 HydrophobicContact CE2-CD1 3.93Å; F283-Y303 AromaticContact CZ-CD1 3.6Å; F283-Y303 HydrophobicContact CZ-CD1 3.6Å; F283-Y303 HydrophobicContact CZ-CE1 4.14Å; F283-A304 HydrophobicContact CE2-CB 4.01Å
284	R	92.2	Very high	90.7	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.008	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	109.5	173.8	178.2	179.4	170.5	81.9	-4.1	108.6	D226 T227 T243 W245 T246 E248 F286 N288	D226-R284 WeakPolarHBondContact O-CA 2.86Å; T227-R284 PolarHBondContact O-NH1 2.83Å; T243-R284 PolarHBondContact O-N 2.97Å; W245-R284 PolarHBondContact N-O 3.48Å; T246-R284 HydrophobicContact CG2-CG 4.41Å; E248-R284 IonicContact OE2-CZ 3.32Å; E248-R284 IonicContact OE2-NH2 2.66Å; E248-R284 PolarHBondContact OE2-NH2 2.89Å; R284-F286 WeakPolarHBondContact CG-O 3.49Å; R284-F286 PolarHBondContact NE-O 3.23Å; R284-F286 PolarHBondContact NH1-O 2.96Å; R284-F286 PolarHBondContact NH2-O 3.31Å; R284-N288 PolarHBondContact NH1-OD1 3.29Å; R284-N288 VanDerWaalsContact NH2-CG 3.34Å; R284-N288 PolarHBondContact NH2-OD1 3.02Å
285	V	89	Confident	90.4	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.			trans	-115.4	-8.7	-179.6	-63.3	0	0	0	0	112.6	F225 D226 W245 F283 S292 F297 A300	F225-V285 HydrophobicContact CB-CG2 4.22Å; F225-V285 HydrophobicContact CD2-CG1 4.02Å; D226-V285 PolarHBondContact O-N 2.73Å; W245-V285 HydrophobicContact CB-CG1 4.29Å; W245-V285 HydrophobicContact CG-CG1 4.32Å; F283-V285 PolarHBondContact O-N 2.99Å; V285-S292 WeakPolarHBondContact O-CB 3.46Å; V285-S292 PolarHBondContact O-OG 3.16Å; V285-F297 HydrophobicContact CB-CE1 4.19Å; V285-F297 HydrophobicContact CB-CZ 4.45Å; V285-F297 HydrophobicContact CG2-CD1 4.46Å; V285-F297 HydrophobicContact CG2-CE1 3.72Å; V285-F297 HydrophobicContact CG2-CZ 4.04Å; V285-A300 HydrophobicContact CG1-CB 4.03Å
286	F	86.9	Confident	90.2	Very high	1 Å²	1	22 Å²	22	0%	0.004	11%	0.112	C	C	.	.	S	Bend	trans	-113.6	140.5	172.1	-75.4	-86.7	0	0	0	111.5	R142 T227 R284 V291 F297 I316	R142-F286 HydrophobicContact CB-CD1 4.21Å; R142-F286 HydrophobicContact CB-CE1 3.71Å; R142-F286 HydrophobicContact CB-CZ 4.34Å; T227-F286 HydrophobicContact CG2-CB 4.24Å; R284-F286 WeakPolarHBondContact CG-O 3.49Å; R284-F286 PolarHBondContact NE-O 3.23Å; R284-F286 PolarHBondContact NH1-O 2.96Å; R284-F286 PolarHBondContact NH2-O 3.31Å; F286-V291 CarbonylContact C-O 3.46Å; F286-V291 WeakPolarHBondContact CA-O 3.42Å; F286-F297 AromaticContact CE2-CZ 3.75Å; F286-F297 HydrophobicContact CE2-CZ 3.75Å; F286-F297 HydrophobicContact CZ-CE2 4.45Å; F286-F297 AromaticContact CZ-CZ 3.91Å; F286-F297 HydrophobicContact CZ-CZ 3.91Å; F286-I316 HydrophobicContact CD2-CD1 4.01Å; F286-I316 HydrophobicContact CE2-CD1 3.39Å; F286-I316 HydrophobicContact CE2-CG1 3.84Å; F286-I316 HydrophobicContact CE2-CG2 4.22Å; F286-I316 HydrophobicContact CZ-CD1 4.34Å; F286-I316 HydrophobicContact CZ-CG1 4.4Å; F286-I316 HydrophobicContact CZ-CG2 4.06Å
287	T	86.4	Confident	90	Very high	11 Å²	11	21.8 Å²	21.8	7%	0.067	11%	0.11	C	C	.	.			trans	-73.3	173.6	170.2	67.5	0	0	0	0	111.7	T246 E248 N289 Q290 V291 W296	T246-T287 HydrophobicContact CG2-CG2 4.04Å; E248-T287 HydrophobicContact CG-CG2 4.17Å; E248-T287 WeakPolarHBondContact OE1-CB 3.32Å; T287-N289 PolarHBondContact O-N 3.01Å; T287-N289 PolarHBondContact OG1-N 3.27Å; T287-Q290 WeakPolarHBondContact O-CA 3.23Å; T287-Q290 PolarHBondContact O-N 2.88Å; T287-Q290 PolarHBondContact OG1-N 3.26Å; T287-V291 HydrophobicContact CG2-CB 4.29Å; T287-V291 PolarHBondContact N-O 3.26Å; T287-V291 WeakPolarHBondContact OG1-CB 3.49Å; T287-V291 PolarHBondContact OG1-N 2.88Å; T287-V291 PolarHBondContact OG1-O 2.97Å; T287-W296 HydrophobicContact CG2-CH2 4.06Å; T287-W296 HydrophobicContact CG2-CZ3 3.98Å
288	N	85	Confident	89.8	Confident	60 Å²	60	19.4 Å²	19.4	32%	0.321	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-24.6	173.5	-70.6	-19	0	0	0	112.2	E248 G254 R284 Q290	E248-N288 PolarHBondContact OE1-N 2.95Å; E248-N288 PolarHBondContact OE2-N 3.31Å; G254-N288 WeakPolarHBondContact CA-OD1 3.31Å; G254-N288 PolarHBondContact N-OD1 2.53Å; R284-N288 PolarHBondContact NH1-OD1 3.29Å; R284-N288 VanDerWaalsContact NH2-CG 3.34Å; R284-N288 PolarHBondContact NH2-OD1 3.02Å; N288-Q290 PolarHBondContact O-N 3.35Å
289	N	82.2	Confident	89.6	Confident	129 Å²	129	19.4 Å²	19.4	69%	0.69	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	8.1	168.6	-61	-18.2	0	0	0	112.2	T287 V291	T287-N289 PolarHBondContact O-N 3.01Å; T287-N289 PolarHBondContact OG1-N 3.27Å; N289-V291 VanDerWaalsContact C-N 3.29Å; N289-V291 HydrophobicContact CB-CG2 4.42Å; N289-V291 PolarHBondContact O-N 3.1Å
290	Q	81.9	Confident	89.4	Confident	32 Å²	32	17.1 Å²	17.1	15%	0.15	9%	0.087	C	C	.	.			trans	59.7	36.4	176.1	-51.5	173.7	83.2	0	0	114.4	F141 R142 L255 T287 N288	F141-Q290 WeakPolarHBondContact CA-O 3.5Å; R142-Q290 PolarHBondContact N-O 3Å; R142-Q290 WeakPolarHBondContact O-CB 3.39Å; R142-Q290 WeakPolarHBondContact O-CG 3.18Å; R142-Q290 PolarHBondContact O-OE1 3.21Å; L255-Q290 HydrophobicContact CD1-CG 3.45Å; L255-Q290 VanDerWaalsContact CD1-CG 3.45Å; L255-Q290 HydrophobicContact CD2-CG 4.14Å; L255-Q290 HydrophobicContact CG-CG 4.46Å; T287-Q290 WeakPolarHBondContact O-CA 3.23Å; T287-Q290 PolarHBondContact O-N 2.88Å; T287-Q290 PolarHBondContact OG1-N 3.26Å; N288-Q290 PolarHBondContact O-N 3.35Å
291	V	84.4	Confident	89.3	Confident	14 Å²	14	17 Å²	17	9%	0.085	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	141.1	174.2	175.8	0	0	0	0	109.7	K139 V140 F141 F286 T287 N289 Y293	K139-V291 HydrophobicContact CD-CG1 4.04Å; K139-V291 HydrophobicContact CG-CG1 3.65Å; V140-V291 CarbonylContact O-C 3.59Å; V140-V291 WeakPolarHBondContact O-CA 3.47Å; F141-V291 HydrophobicContact CD1-CG2 3.46Å; F141-V291 VanDerWaalsContact CD1-CG2 3.46Å; F141-V291 HydrophobicContact CE1-CG2 3.31Å; F141-V291 HydrophobicContact CG-CG2 4.39Å; F141-V291 HydrophobicContact CZ-CG2 4.15Å; F286-V291 CarbonylContact C-O 3.46Å; F286-V291 WeakPolarHBondContact CA-O 3.42Å; T287-V291 HydrophobicContact CG2-CB 4.29Å; T287-V291 PolarHBondContact N-O 3.26Å; T287-V291 WeakPolarHBondContact OG1-CB 3.49Å; T287-V291 PolarHBondContact OG1-N 2.88Å; T287-V291 PolarHBondContact OG1-O 2.97Å; N289-V291 VanDerWaalsContact C-N 3.29Å; N289-V291 HydrophobicContact CB-CG2 4.42Å; N289-V291 PolarHBondContact O-N 3.1Å; V291-Y293 HydrophobicContact CG1-CD2 4.4Å; V291-Y293 HydrophobicContact CG1-CE2 3.95Å
292	S	86.5	Confident	89.2	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	172.4	166.6	-162.8	0	0	0	0	110.5	K139 V140 V285 F297	K139-S292 CarbonylContact C-O 3.53Å; K139-S292 VanDerWaalsContact CA-O 3.25Å; K139-S292 WeakPolarHBondContact CA-O 3.21Å; K139-S292 WeakPolarHBondContact CG-O 3.43Å; V140-S292 PolarHBondContact N-O 2.77Å; V140-S292 PolarHBondContact O-N 3.04Å; V285-S292 WeakPolarHBondContact O-CB 3.46Å; V285-S292 PolarHBondContact O-OG 3.16Å; S292-F297 WeakPolarHBondContact OG-CE2 3.43Å
293	Y	86.9	Confident	89.1	Confident	45 Å²	45	17 Å²	17	18%	0.176	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	149.4	172.9	-71.8	-101.4	0	0	0	109.4	V60 Q137 R138 K139 V291 S295 W296 F297	V60-Y293 HydrophobicContact CG1-CE1 4.45Å; V60-Y293 HydrophobicContact CG2-CD1 3.7Å; V60-Y293 HydrophobicContact CG2-CE1 3.45Å; V60-Y293 VanDerWaalsContact CG2-CE1 3.45Å; Q137-Y293 HydrophobicContact CG-CD1 4.3Å; R138-Y293 CarbonylContact O-C 3.56Å; R138-Y293 VanDerWaalsContact O-CA 3.27Å; R138-Y293 WeakPolarHBondContact O-CA 3.33Å; K139-Y293 HydrophobicContact CB-CD1 3.79Å; K139-Y293 HydrophobicContact CB-CE1 3.7Å; K139-Y293 HydrophobicContact CB-CG 4.38Å; K139-Y293 HydrophobicContact CD-CE1 4.18Å; K139-Y293 HydrophobicContact CG-CD1 4.26Å; K139-Y293 HydrophobicContact CG-CD2 4.49Å; K139-Y293 HydrophobicContact CG-CE1 3.94Å; K139-Y293 HydrophobicContact CG-CE2 4.16Å; V291-Y293 HydrophobicContact CG1-CD2 4.4Å; V291-Y293 HydrophobicContact CG1-CE2 3.95Å; Y293-S295 VanDerWaalsContact C-N 3.32Å; Y293-S295 PolarHBondContact O-N 3.32Å; Y293-W296 AromaticContact CD2-CD2 3.78Å; Y293-W296 HydrophobicContact CD2-CD2 3.78Å; Y293-W296 AromaticContact CD2-CE2 3.48Å; Y293-W296 VanDerWaalsContact CD2-CE2 3.48Å; Y293-W296 AromaticContact CD2-CE3 3.85Å; Y293-W296 HydrophobicContact CD2-CE3 3.85Å; Y293-W296 AromaticContact CD2-CH2 3.39Å; Y293-W296 HydrophobicContact CD2-CH2 3.39Å; Y293-W296 AromaticContact CD2-CZ2 3.29Å; Y293-W296 HydrophobicContact CD2-CZ2 3.29Å; Y293-W296 AromaticContact CD2-CZ3 3.66Å; Y293-W296 HydrophobicContact CD2-CZ3 3.66Å; Y293-W296 AromaticContact CE2-CH2 3.58Å; Y293-W296 HydrophobicContact CE2-CH2 3.58Å; Y293-W296 AromaticContact CE2-CZ2 3.6Å; Y293-W296 HydrophobicContact CE2-CZ2 3.6Å; Y293-W296 HydrophobicContact CE2-CZ3 4.22Å; Y293-W296 HydrophobicContact CG-CD2 4.29Å; Y293-W296 HydrophobicContact CG-CZ2 4.31Å; Y293-W296 WeakPolarHBondContact O-CB 3.37Å; Y293-W296 PolarHBondContact O-N 2.81Å; Y293-F297 WeakPolarHBondContact O-CD2 3.31Å; Y293-F297 PolarHBondContact O-N 3.05Å
294	T	87	Confident	89.1	Confident	4 Å²	4	17 Å²	17	3%	0.025	9%	0.086	C	C	.	.	H	α-helix	trans	-56.7	-47.7	177.7	-56.2	0	0	0	0	111.1	I65 R138 W296 F297 L298 D323 P325 F326	I65-T294 HydrophobicContact CD1-CG2 3.81Å; R138-T294 WeakPolarHBondContact CB-OG1 3.17Å; R138-T294 PolarHBondContact O-N 3.09Å; R138-T294 PolarHBondContact O-OG1 2.79Å; T294-W296 PolarHBondContact O-N 3.2Å; T294-W296 VanDerWaalsContact O-N 3.11Å; T294-F297 WeakPolarHBondContact O-CA 3.5Å; T294-F297 WeakPolarHBondContact O-CB 3.03Å; T294-F297 PolarHBondContact O-N 3.02Å; T294-L298 HydrophobicContact CG2-CD1 4.27Å; T294-L298 HydrophobicContact CG2-CG 4.18Å; T294-L298 WeakPolarHBondContact O-CG 3.37Å; T294-L298 PolarHBondContact O-N 3.1Å; T294-D323 WeakPolarHBondContact CB-OD2 3.47Å; T294-D323 VanDerWaalsContact CG2-CG 3.43Å; T294-D323 WeakPolarHBondContact CG2-OD2 3.12Å; T294-D323 PolarHBondContact OG1-OD2 3.21Å; T294-P325 HydrophobicContact CG2-CB 4.31Å; T294-F326 HydrophobicContact CG2-CB 4.43Å
295	S	89.2	Confident	89.2	Confident	8 Å²	8	18 Å²	18	6%	0.056	9%	0.091	C	C	.	.	H	α-helix	trans	-55.7	-31	177	68.8	0	0	0	0	114	Q137 Y293 L298 D299	Q137-S295 VanDerWaalsContact NE2-CB 3.32Å; Q137-S295 PolarHBondContact NE2-OG 3.44Å; Y293-S295 VanDerWaalsContact C-N 3.32Å; Y293-S295 PolarHBondContact O-N 3.32Å; S295-L298 PolarHBondContact O-N 2.91Å; S295-D299 WeakPolarHBondContact O-CB 3.19Å; S295-D299 PolarHBondContact O-N 3.09Å
296	W	90.7	Very high	89.4	Confident	21 Å²	21	22 Å²	22	8%	0.08	11%	0.112	C	C	.	.	H	α-helix	trans	-69.1	-39.8	176.2	-61.6	-9.1	0	0	0	111.4	W245 T246 N247 T287 Y293 T294 A300	W245-W296 HydrophobicContact CB-CB 4.27Å; W245-W296 VanDerWaalsContact O-CD1 3.29Å; W245-W296 PolarHBondContact O-NE1 3.45Å; T246-W296 HydrophobicContact CG2-CE3 3.78Å; T246-W296 HydrophobicContact CG2-CH2 4.27Å; T246-W296 HydrophobicContact CG2-CZ3 3.53Å; N247-W296 HydrophobicContact CB-CZ2 4.27Å; T287-W296 HydrophobicContact CG2-CH2 4.06Å; T287-W296 HydrophobicContact CG2-CZ3 3.98Å; Y293-W296 AromaticContact CD2-CD2 3.78Å; Y293-W296 HydrophobicContact CD2-CD2 3.78Å; Y293-W296 AromaticContact CD2-CE2 3.48Å; Y293-W296 VanDerWaalsContact CD2-CE2 3.48Å; Y293-W296 AromaticContact CD2-CE3 3.85Å; Y293-W296 HydrophobicContact CD2-CE3 3.85Å; Y293-W296 AromaticContact CD2-CH2 3.39Å; Y293-W296 HydrophobicContact CD2-CH2 3.39Å; Y293-W296 AromaticContact CD2-CZ2 3.29Å; Y293-W296 HydrophobicContact CD2-CZ2 3.29Å; Y293-W296 AromaticContact CD2-CZ3 3.66Å; Y293-W296 HydrophobicContact CD2-CZ3 3.66Å; Y293-W296 AromaticContact CE2-CH2 3.58Å; Y293-W296 HydrophobicContact CE2-CH2 3.58Å; Y293-W296 AromaticContact CE2-CZ2 3.6Å; Y293-W296 HydrophobicContact CE2-CZ2 3.6Å; Y293-W296 HydrophobicContact CE2-CZ3 4.22Å; Y293-W296 HydrophobicContact CG-CD2 4.29Å; Y293-W296 HydrophobicContact CG-CZ2 4.31Å; Y293-W296 WeakPolarHBondContact O-CB 3.37Å; Y293-W296 PolarHBondContact O-N 2.81Å; T294-W296 PolarHBondContact O-N 3.2Å; T294-W296 VanDerWaalsContact O-N 3.11Å; W296-A300 WeakPolarHBondContact O-CB 3.29Å; W296-A300 PolarHBondContact O-N 3.43Å
297	F	90.3	Very high	89.7	Confident	8 Å²	8	25.2 Å²	25.2	4%	0.035	13%	0.126	C	C	.	.	H	α-helix	trans	-64.5	-45	171.5	-75.1	-77.1	0	0	0	111.6	F225 V285 F286 S292 Y293 T294 D299 A300 F301 L314 F326	F225-F297 HydrophobicContact CD2-CD1 4.34Å; V285-F297 HydrophobicContact CB-CE1 4.19Å; V285-F297 HydrophobicContact CB-CZ 4.45Å; V285-F297 HydrophobicContact CG2-CD1 4.46Å; V285-F297 HydrophobicContact CG2-CE1 3.72Å; V285-F297 HydrophobicContact CG2-CZ 4.04Å; F286-F297 AromaticContact CE2-CZ 3.75Å; F286-F297 HydrophobicContact CE2-CZ 3.75Å; F286-F297 HydrophobicContact CZ-CE2 4.45Å; F286-F297 AromaticContact CZ-CZ 3.91Å; F286-F297 HydrophobicContact CZ-CZ 3.91Å; S292-F297 WeakPolarHBondContact OG-CE2 3.43Å; Y293-F297 WeakPolarHBondContact O-CD2 3.31Å; Y293-F297 PolarHBondContact O-N 3.05Å; T294-F297 WeakPolarHBondContact O-CA 3.5Å; T294-F297 WeakPolarHBondContact O-CB 3.03Å; T294-F297 PolarHBondContact O-N 3.02Å; F297-D299 VanDerWaalsContact C-N 3.35Å; F297-D299 PolarHBondContact O-N 2.85Å; F297-A300 PolarHBondContact O-N 3.38Å; F297-F301 HydrophobicContact CB-CD2 4.29Å; F297-F301 HydrophobicContact CB-CE2 4.02Å; F297-F301 HydrophobicContact CD1-CE2 4.47Å; F297-F301 HydrophobicContact CD1-CZ 4.4Å; F297-F301 WeakPolarHBondContact O-CB 3.37Å; F297-F301 WeakPolarHBondContact O-CD2 3.36Å; F297-F301 VanDerWaalsContact O-CG 3.24Å; F297-F301 WeakPolarHBondContact O-CG 3.33Å; F297-F301 PolarHBondContact O-N 3.11Å; F297-L314 HydrophobicContact CE1-CD1 4.1Å; F297-F326 HydrophobicContact CB-CD2 3.95Å; F297-F326 HydrophobicContact CB-CE2 3.95Å; F297-F326 AromaticContact CD1-CE2 3.93Å; F297-F326 HydrophobicContact CD1-CE2 3.93Å; F297-F326 HydrophobicContact CD2-CE2 4.37Å; F297-F326 HydrophobicContact CG-CD2 4.22Å; F297-F326 AromaticContact CG-CE2 3.84Å; F297-F326 HydrophobicContact CG-CE2 3.84Å
298	L	91.1	Very high	90	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-59	-45.8	179.3	-60.3	-178.4	0	0	0	111.8	I65 F109 T294 S295 F301 N302 P325 K329	I65-L298 HydrophobicContact CD1-CD1 4.13Å; I65-L298 HydrophobicContact CG2-CD1 4.09Å; F109-L298 HydrophobicContact CD1-CB 3.89Å; F109-L298 HydrophobicContact CD1-CD1 4.08Å; F109-L298 HydrophobicContact CD2-CD1 4.07Å; F109-L298 HydrophobicContact CE1-CB 3.36Å; F109-L298 HydrophobicContact CE1-CD1 4.24Å; F109-L298 HydrophobicContact CE1-CG 4.45Å; F109-L298 HydrophobicContact CE2-CB 4.35Å; F109-L298 HydrophobicContact CE2-CD1 4.22Å; F109-L298 HydrophobicContact CG-CD1 3.99Å; F109-L298 HydrophobicContact CZ-CB 3.62Å; F109-L298 HydrophobicContact CZ-CD1 4.29Å; T294-L298 HydrophobicContact CG2-CD1 4.27Å; T294-L298 HydrophobicContact CG2-CG 4.18Å; T294-L298 WeakPolarHBondContact O-CG 3.37Å; T294-L298 PolarHBondContact O-N 3.1Å; S295-L298 PolarHBondContact O-N 2.91Å; L298-F301 PolarHBondContact O-N 3.09Å; L298-N302 WeakPolarHBondContact O-CB 3.35Å; L298-N302 PolarHBondContact O-N 3.28Å; L298-P325 HydrophobicContact CD1-CB 3.95Å; L298-P325 HydrophobicContact CD2-CB 4.21Å; L298-P325 VanDerWaalsContact CD2-O 3.31Å; L298-P325 WeakPolarHBondContact CD2-O 3.28Å; L298-K329 HydrophobicContact CD2-CB 3.58Å; L298-K329 HydrophobicContact CD2-CG 3.86Å
299	D	92.4	Very high	90.6	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-66.2	-43.5	176.4	-87.7	-19.4	0	0	0	112.8	R98 N100 A102 F109 W245 S295 F297 F301 N302 Y303	R98-D299 WeakPolarHBondContact CD-OD2 3.49Å; R98-D299 IonicContact CZ-OD1 3.37Å; R98-D299 IonicContact CZ-OD2 2.77Å; R98-D299 IonicContact NH1-OD1 3.42Å; R98-D299 PolarHBondContact NH1-OD1 3.18Å; R98-D299 IonicContact NH1-OD2 2.82Å; R98-D299 PolarHBondContact NH1-OD2 3.29Å; N100-D299 PolarHBondContact ND2-OD2 3.01Å; A102-D299 HydrophobicContact CB-CB 4.27Å; F109-D299 VanDerWaalsContact CE1-OD1 3.23Å; F109-D299 WeakPolarHBondContact CE1-OD1 3.36Å; F109-D299 HydrophobicContact CZ-CB 4.39Å; F109-D299 WeakPolarHBondContact CZ-OD1 3.33Å; W245-D299 HydrophobicContact CE3-CB 3.79Å; W245-D299 HydrophobicContact CZ3-CB 3.72Å; S295-D299 WeakPolarHBondContact O-CB 3.19Å; S295-D299 PolarHBondContact O-N 3.09Å; F297-D299 VanDerWaalsContact C-N 3.35Å; F297-D299 PolarHBondContact O-N 2.85Å; D299-F301 VanDerWaalsContact C-N 3.31Å; D299-F301 PolarHBondContact O-N 2.94Å; D299-N302 PolarHBondContact O-N 3.22Å; D299-Y303 WeakPolarHBondContact O-CB 3.26Å; D299-Y303 PolarHBondContact O-N 3.32Å
300	A	92.9	Very high	91.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.6	-40.2	176.4	0	0	0	0	0	111.6	F225 W245 F283 V285 W296 F297 Y303 A304	F225-A300 HydrophobicContact CD2-CB 4.28Å; F225-A300 HydrophobicContact CE2-CB 3.44Å; F225-A300 VanDerWaalsContact CE2-CB 3.44Å; F225-A300 HydrophobicContact CZ-CB 3.87Å; W245-A300 HydrophobicContact CD2-CB 3.76Å; W245-A300 HydrophobicContact CE3-CB 4.35Å; W245-A300 HydrophobicContact CG-CB 3.86Å; W245-A300 HydrophobicContact CZ2-CB 4.45Å; F283-A300 HydrophobicContact CD2-CB 4.09Å; F283-A300 WeakPolarHBondContact CE2-O 3.49Å; V285-A300 HydrophobicContact CG1-CB 4.03Å; W296-A300 WeakPolarHBondContact O-CB 3.29Å; W296-A300 PolarHBondContact O-N 3.43Å; F297-A300 PolarHBondContact O-N 3.38Å; A300-Y303 PolarHBondContact O-N 2.96Å; A300-A304 WeakPolarHBondContact O-CB 3.35Å; A300-A304 PolarHBondContact O-N 2.82Å
301	F	93.8	Very high	91.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-67.6	-45.9	175	-70.3	-41.9	0	0	0	112	F225 F297 L298 D299 Y303 A304 I305 L312 F326 K329 V330 L333 M340	F225-F301 HydrophobicContact CD2-CD1 4.36Å; F225-F301 AromaticContact CD2-CE1 3.97Å; F225-F301 HydrophobicContact CD2-CE1 3.97Å; F225-F301 AromaticContact CE2-CD1 3.48Å; F225-F301 HydrophobicContact CE2-CD1 3.48Å; F225-F301 VanDerWaalsContact CE2-CD1 3.48Å; F225-F301 AromaticContact CE2-CE1 3.54Å; F225-F301 HydrophobicContact CE2-CE1 3.54Å; F225-F301 HydrophobicContact CE2-CG 4.28Å; F225-F301 HydrophobicContact CE2-CZ 4.39Å; F225-F301 AromaticContact CZ-CD1 3.81Å; F225-F301 HydrophobicContact CZ-CD1 3.81Å; F225-F301 HydrophobicContact CZ-CE1 4.14Å; F297-F301 HydrophobicContact CB-CD2 4.29Å; F297-F301 HydrophobicContact CB-CE2 4.02Å; F297-F301 HydrophobicContact CD1-CE2 4.47Å; F297-F301 HydrophobicContact CD1-CZ 4.4Å; F297-F301 WeakPolarHBondContact O-CB 3.37Å; F297-F301 WeakPolarHBondContact O-CD2 3.36Å; F297-F301 VanDerWaalsContact O-CG 3.24Å; F297-F301 WeakPolarHBondContact O-CG 3.33Å; F297-F301 PolarHBondContact O-N 3.11Å; L298-F301 PolarHBondContact O-N 3.09Å; D299-F301 VanDerWaalsContact C-N 3.31Å; D299-F301 PolarHBondContact O-N 2.94Å; F301-Y303 PolarHBondContact O-N 2.91Å; F301-A304 WeakPolarHBondContact O-CB 3.43Å; F301-A304 PolarHBondContact O-N 3.04Å; F301-A304 VanDerWaalsContact O-N 3.08Å; F301-I305 WeakPolarHBondContact O-CG1 3.43Å; F301-I305 PolarHBondContact O-N 2.93Å; F301-L312 HydrophobicContact CD1-CD1 4Å; F301-L312 HydrophobicContact CE1-CD1 3.93Å; F301-L312 HydrophobicContact CE1-CD2 4.35Å; F301-F326 AromaticContact CE2-CD2 3.89Å; F301-F326 HydrophobicContact CE2-CD2 3.89Å; F301-F326 AromaticContact CE2-CE2 3.5Å; F301-F326 HydrophobicContact CE2-CE2 3.5Å; F301-F326 HydrophobicContact CE2-CZ 4.16Å; F301-F326 AromaticContact CZ-CE2 3.85Å; F301-F326 HydrophobicContact CZ-CE2 3.85Å; F301-F326 HydrophobicContact CZ-CZ 4.17Å; F301-K329 HydrophobicContact CB-CD 4.03Å; F301-K329 HydrophobicContact CB-CG 3.56Å; F301-K329 HydrophobicContact CD2-CB 4.23Å; F301-K329 HydrophobicContact CD2-CG 3.54Å; F301-K329 HydrophobicContact CG-CG 3.95Å; F301-V330 HydrophobicContact CE2-CG2 4.35Å; F301-V330 HydrophobicContact CZ-CG2 4.4Å; F301-L333 HydrophobicContact CB-CD1 4.16Å; F301-L333 HydrophobicContact CD1-CD1 3.84Å; F301-L333 HydrophobicContact CD1-CD2 4.11Å; F301-L333 HydrophobicContact CD1-CG 4.47Å; F301-L333 HydrophobicContact CE1-CD2 4.2Å; F301-L333 HydrophobicContact CG-CD1 4.34Å; F301-M340 HydrophobicContact CZ-CE 4.46Å
302	N	93.6	Very high	92.5	Very high	5 Å²	5	22 Å²	22	3%	0.027	10%	0.102	C	C	.	.	H	α-helix	trans	-55.3	-43.5	173.9	-80.5	-17.8	0	0	0	111.1	Y71 D108 L298 D299 I305 L306 K329	Y71-N302 PolarHBondContact OH-OD1 3.09Å; D108-N302 PolarHBondContact OD1-ND2 2.94Å; L298-N302 WeakPolarHBondContact O-CB 3.35Å; L298-N302 PolarHBondContact O-N 3.28Å; D299-N302 PolarHBondContact O-N 3.22Å; N302-I305 PolarHBondContact O-N 2.86Å; N302-L306 VanDerWaalsContact O-CG 3.3Å; N302-L306 WeakPolarHBondContact O-CG 3.35Å; N302-L306 PolarHBondContact O-N 2.82Å; N302-K329 PolarHBondContact OD1-NZ 2.86Å
303	Y	94.4	Very high	93	Very high	13 Å²	13	22 Å²	22	5%	0.051	10%	0.102	C	C	.	.	H	α-helix	trans	-68.7	-36.7	176.7	-166.9	-104.5	0	0	0	113.2	P101 Y105 E241 T243 W245 F283 D299 A300 F301 I305 L306 K307	P101-Y303 HydrophobicContact CB-CD2 4.27Å; P101-Y303 HydrophobicContact CB-CE1 4.47Å; P101-Y303 HydrophobicContact CB-CE2 3.77Å; Y105-Y303 HydrophobicContact CE2-CE2 4.22Å; E241-Y303 WeakPolarHBondContact OE1-CE1 3.2Å; E241-Y303 PolarHBondContact OE1-OH 2.64Å; T243-Y303 HydrophobicContact CG2-CE1 4.16Å; W245-Y303 AromaticContact CH2-CD1 3.95Å; W245-Y303 HydrophobicContact CH2-CD1 3.95Å; W245-Y303 HydrophobicContact CH2-CD2 4.04Å; W245-Y303 AromaticContact CH2-CG 3.53Å; W245-Y303 HydrophobicContact CH2-CG 3.53Å; W245-Y303 AromaticContact CZ2-CD1 3.54Å; W245-Y303 HydrophobicContact CZ2-CD1 3.54Å; W245-Y303 HydrophobicContact CZ2-CD2 4.46Å; W245-Y303 HydrophobicContact CZ2-CE1 4.31Å; W245-Y303 AromaticContact CZ2-CG 3.62Å; W245-Y303 HydrophobicContact CZ2-CG 3.62Å; F283-Y303 HydrophobicContact CE1-CD1 4.43Å; F283-Y303 AromaticContact CE2-CD1 3.93Å; F283-Y303 HydrophobicContact CE2-CD1 3.93Å; F283-Y303 AromaticContact CZ-CD1 3.6Å; F283-Y303 HydrophobicContact CZ-CD1 3.6Å; F283-Y303 HydrophobicContact CZ-CE1 4.14Å; D299-Y303 WeakPolarHBondContact O-CB 3.26Å; D299-Y303 PolarHBondContact O-N 3.32Å; A300-Y303 PolarHBondContact O-N 2.96Å; F301-Y303 PolarHBondContact O-N 2.91Å; Y303-I305 VanDerWaalsContact C-N 3.33Å; Y303-I305 PolarHBondContact O-N 2.84Å; Y303-L306 PolarHBondContact O-N 2.86Å; Y303-K307 HydrophobicContact CD1-CG 4.03Å; Y303-K307 HydrophobicContact CE1-CD 4.36Å; Y303-K307 VanDerWaalsContact CE1-CE 3.48Å; Y303-K307 HydrophobicContact CE1-CG 3.81Å; Y303-K307 WeakPolarHBondContact O-CB 3.3Å; Y303-K307 WeakPolarHBondContact O-CG 3.45Å; Y303-K307 PolarHBondContact O-N 3.29Å; Y303-K307 WeakPolarHBondContact OH-CE 3.29Å; Y303-K307 PolarHBondContact OH-NZ 2.92Å; Y303-K307 VanDerWaalsContact OH-NZ 3.17Å
304	A	94.8	Very high	93.2	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.3	-40.1	173.8	0	0	0	0	0	111.9	F225 F283 A300 F301 K307 K308 I309 L312 L333	F225-A304 HydrophobicContact CE1-CB 4.45Å; F225-A304 HydrophobicContact CZ-CB 4.16Å; F283-A304 HydrophobicContact CE2-CB 4.01Å; A300-A304 WeakPolarHBondContact O-CB 3.35Å; A300-A304 PolarHBondContact O-N 2.82Å; F301-A304 WeakPolarHBondContact O-CB 3.43Å; F301-A304 PolarHBondContact O-N 3.04Å; F301-A304 VanDerWaalsContact O-N 3.08Å; A304-K307 PolarHBondContact O-N 2.81Å; A304-K308 PolarHBondContact O-N 2.81Å; A304-K308 VanDerWaalsContact O-N 3.09Å; A304-I309 HydrophobicContact CB-CB 4.37Å; A304-I309 HydrophobicContact CB-CG1 3.92Å; A304-I309 WeakPolarHBondContact O-CG1 3.42Å; A304-I309 PolarHBondContact O-N 3.22Å; A304-L312 HydrophobicContact CB-CD1 4.44Å; A304-L333 HydrophobicContact CB-CD1 4.2Å
305	I	94.1	Very high	92.9	Very high	23 Å²	23	19.8 Å²	19.8	12%	0.118	9%	0.093	C	C	.	.	H	α-helix	trans	-62.2	-48.2	173.4	-64.9	166.4	0	0	0	110.1	F301 N302 Y303 K307 K308 E332 L333 N336	F301-I305 WeakPolarHBondContact O-CG1 3.43Å; F301-I305 PolarHBondContact O-N 2.93Å; N302-I305 PolarHBondContact O-N 2.86Å; Y303-I305 VanDerWaalsContact C-N 3.33Å; Y303-I305 PolarHBondContact O-N 2.84Å; I305-K307 VanDerWaalsContact C-N 3.32Å; I305-K307 PolarHBondContact O-N 2.97Å; I305-K308 WeakPolarHBondContact O-CA 3.43Å; I305-K308 PolarHBondContact O-N 2.84Å; I305-E332 HydrophobicContact CD1-CG 4.16Å; I305-L333 HydrophobicContact CG1-CD1 3.98Å; I305-N336 HydrophobicContact CG1-CB 4.18Å; I305-N336 HydrophobicContact CG2-CB 3.87Å
306	L	92.7	Very high	91.9	Very high	83 Å²	83	20 Å²	20	44%	0.435	9%	0.093	S	C	.	.	H	α-helix	trans	-60.2	-39.6	178.5	-72	167.2	0	0	0	112.7	Y105 N302 Y303 K308	Y105-L306 HydrophobicContact CD1-CD1 3.92Å; Y105-L306 HydrophobicContact CD1-CD2 4.41Å; Y105-L306 HydrophobicContact CD2-CD1 4.09Å; Y105-L306 HydrophobicContact CG-CD1 3.61Å; N302-L306 VanDerWaalsContact O-CG 3.3Å; N302-L306 WeakPolarHBondContact O-CG 3.35Å; N302-L306 PolarHBondContact O-N 2.82Å; Y303-L306 PolarHBondContact O-N 2.86Å; L306-K308 PolarHBondContact O-N 2.85Å
307	K	93	Very high	90.6	Very high	68 Å²	68	19.5 Å²	19.5	30%	0.296	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-5.3	174.3	-67.1	-61.1	-175.6	-176.8	0	113.5	R221 Y303 A304 I305 I309	R221-K307 PolarHBondContact NH1-O 3.31Å; Y303-K307 HydrophobicContact CD1-CG 4.03Å; Y303-K307 HydrophobicContact CE1-CD 4.36Å; Y303-K307 VanDerWaalsContact CE1-CE 3.48Å; Y303-K307 HydrophobicContact CE1-CG 3.81Å; Y303-K307 WeakPolarHBondContact O-CB 3.3Å; Y303-K307 WeakPolarHBondContact O-CG 3.45Å; Y303-K307 PolarHBondContact O-N 3.29Å; Y303-K307 WeakPolarHBondContact OH-CE 3.29Å; Y303-K307 PolarHBondContact OH-NZ 2.92Å; Y303-K307 VanDerWaalsContact OH-NZ 3.17Å; A304-K307 PolarHBondContact O-N 2.81Å; I305-K307 VanDerWaalsContact C-N 3.32Å; I305-K307 PolarHBondContact O-N 2.97Å; K307-I309 VanDerWaalsContact C-N 3.31Å; K307-I309 HydrophobicContact CB-CD1 4.21Å; K307-I309 HydrophobicContact CB-CG1 4.26Å; K307-I309 PolarHBondContact O-N 3.47Å
308	K	93.8	Very high	89.1	Confident	147 Å²	147	19.3 Å²	19.3	64%	0.639	10%	0.095	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	47.2	-176.3	-55.6	179	177.5	-173.1	0	111.2	R221 A304 I305 L306 D310	R221-K308 PolarHBondContact NE-O 3.21Å; R221-K308 PolarHBondContact NH1-O 3.02Å; R221-K308 PolarHBondContact NH2-O 2.91Å; A304-K308 PolarHBondContact O-N 2.81Å; A304-K308 VanDerWaalsContact O-N 3.09Å; I305-K308 WeakPolarHBondContact O-CA 3.43Å; I305-K308 PolarHBondContact O-N 2.84Å; L306-K308 PolarHBondContact O-N 2.85Å; K308-D310 PolarHBondContact O-N 2.87Å
309	I	96	Very high	87.2	Confident	3 Å²	3	21.6 Å²	21.6	2%	0.015	11%	0.11	C	C	.	.			trans	-54.9	136.8	178	-65.5	-60.7	0	0	0	109.9	R221 A223 H281 A304 K307 V311 V338	R221-I309 HydrophobicContact CB-CD1 4.13Å; A223-I309 HydrophobicContact CB-CB 4.46Å; A223-I309 HydrophobicContact CB-CD1 4.25Å; A223-I309 HydrophobicContact CB-CG1 4.09Å; A223-I309 HydrophobicContact CB-CG2 3.63Å; H281-I309 HydrophobicContact CB-CD1 3.91Å; A304-I309 HydrophobicContact CB-CB 4.37Å; A304-I309 HydrophobicContact CB-CG1 3.92Å; A304-I309 WeakPolarHBondContact O-CG1 3.42Å; A304-I309 PolarHBondContact O-N 3.22Å; K307-I309 VanDerWaalsContact C-N 3.31Å; K307-I309 HydrophobicContact CB-CD1 4.21Å; K307-I309 HydrophobicContact CB-CG1 4.26Å; K307-I309 PolarHBondContact O-N 3.47Å; I309-V311 WeakPolarHBondContact CG2-O 3.41Å; I309-V338 HydrophobicContact CG2-CG1 4.37Å; I309-V338 WeakPolarHBondContact O-CG2 2.89Å
310	D	95.7	Very high	85.3	Confident	29 Å²	29	22.9 Å²	22.9	16%	0.155	12%	0.117	C	C	.	.	S	Bend	trans	-87.3	-40.9	-177.1	-50.4	-60.4	0	0	0	111.1	V220 R221 K308 I339	V220-D310 HydrophobicContact CG1-CB 3.99Å; R221-D310 WeakPolarHBondContact CB-OD2 3.44Å; R221-D310 IonicContact CZ-OD1 2.76Å; R221-D310 IonicContact CZ-OD2 3.08Å; R221-D310 PolarHBondContact N-OD2 2.97Å; R221-D310 IonicContact NE-OD1 2.64Å; R221-D310 IonicContact NE-OD2 3.26Å; R221-D310 PolarHBondContact NE-OD2 3.42Å; R221-D310 IonicContact NH2-OD1 3.42Å; R221-D310 PolarHBondContact NH2-OD1 3.32Å; R221-D310 IonicContact NH2-OD2 2.72Å; R221-D310 PolarHBondContact O-N 3.3Å; R221-D310 VanDerWaalsContact O-N 3.08Å; K308-D310 PolarHBondContact O-N 2.87Å; D310-I339 PolarHBondContact O-N 3.45Å
311	V	97.4	Very high	83.2	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131.1	-179.7	-175.5	0	0	0	0	110.1	V220 R221 V222 A223 I309 I339 A429 V432 V436	V220-V311 HydrophobicContact CG1-CG2 4.31Å; R221-V311 PolarHBondContact O-N 2.55Å; R221-V311 VanDerWaalsContact O-N 3.12Å; V222-V311 CarbonylContact C-O 3.6Å; V222-V311 VanDerWaalsContact CA-O 3.29Å; V222-V311 WeakPolarHBondContact CA-O 3.14Å; V222-V311 HydrophobicContact CG1-CB 4.35Å; V222-V311 HydrophobicContact CG1-CG1 4.48Å; V222-V311 HydrophobicContact CG2-CB 4.38Å; A223-V311 PolarHBondContact N-O 2.88Å; I309-V311 WeakPolarHBondContact CG2-O 3.41Å; V311-I339 WeakPolarHBondContact CA-O 3.47Å; V311-A429 HydrophobicContact CG1-CB 4.49Å; V311-V432 HydrophobicContact CG1-CG1 4.1Å; V311-V432 HydrophobicContact CG2-CG1 3.79Å; V311-V436 HydrophobicContact CG2-CG2 4.27Å
312	L	97.3	Very high	81.2	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124.5	175.5	-173.1	152.2	0	0	0	110	A223 F225 F301 A304 L314 L333 V338 I339 M340 V341	A223-L312 HydrophobicContact CB-CD1 4.47Å; A223-L312 HydrophobicContact CB-CG 4.32Å; F225-L312 HydrophobicContact CD1-CD1 3.8Å; F225-L312 HydrophobicContact CD1-CD2 4.38Å; F225-L312 HydrophobicContact CD1-CG 3.97Å; F225-L312 HydrophobicContact CE1-CD1 3.34Å; F225-L312 HydrophobicContact CE1-CG 3.99Å; F225-L312 HydrophobicContact CE2-CD1 4.23Å; F225-L312 HydrophobicContact CG-CD1 4.44Å; F225-L312 HydrophobicContact CZ-CD1 3.57Å; F301-L312 HydrophobicContact CD1-CD1 4Å; F301-L312 HydrophobicContact CE1-CD1 3.93Å; F301-L312 HydrophobicContact CE1-CD2 4.35Å; A304-L312 HydrophobicContact CB-CD1 4.44Å; L312-L314 HydrophobicContact CD2-CB 4.04Å; L312-L333 HydrophobicContact CD1-CD1 4.19Å; L312-L333 HydrophobicContact CD1-CD2 3.94Å; L312-V338 HydrophobicContact CB-CG1 3.75Å; L312-I339 PolarHBondContact N-O 3.17Å; L312-M340 HydrophobicContact CD2-CE 4.23Å; L312-M340 HydrophobicContact CD2-CG 4.1Å; L312-M340 WeakPolarHBondContact O-CA 3.47Å; L312-V341 PolarHBondContact O-N 2.9Å
313	N	96.6	Very high	79.8	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	122.3	172.1	173.6	90.4	0	0	0	110.3	A223 F225 V261 I265 S315 S425 P426 A429	A223-N313 PolarHBondContact O-N 2.86Å; F225-N313 PolarHBondContact N-O 3.5Å; V261-N313 WeakPolarHBondContact CG1-ND2 3.11Å; I265-N313 HydrophobicContact CD1-CB 4.03Å; N313-S315 PolarHBondContact ND2-OG 3.39Å; N313-S315 PolarHBondContact OD1-OG 2.89Å; N313-S425 PolarHBondContact OD1-OG 3.37Å; N313-S425 VanDerWaalsContact OD1-OG 3.13Å; N313-P426 WeakPolarHBondContact OD1-CA 3.4Å; N313-A429 HydrophobicContact CB-CB 3.74Å
314	L	90.9	Very high	78.8	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	91.5	171.5	-171.5	70.1	0	0	0	109.2	F225 F297 L312 I316 F326 M340 V341 S342 P357	F225-L314 HydrophobicContact CB-CD1 3.73Å; F297-L314 HydrophobicContact CE1-CD1 4.1Å; L312-L314 HydrophobicContact CD2-CB 4.04Å; L314-I316 HydrophobicContact CD1-CB 4.2Å; L314-I316 HydrophobicContact CD1-CD1 3.66Å; L314-I316 HydrophobicContact CG-CB 4.2Å; L314-I316 HydrophobicContact CG-CD1 4.46Å; L314-I316 PolarHBondContact O-N 2.93Å; L314-F326 HydrophobicContact CD2-CZ 3.99Å; L314-M340 HydrophobicContact CB-CE 3.83Å; L314-M340 HydrophobicContact CD2-CE 3.43Å; L314-M340 VanDerWaalsContact CD2-CE 3.43Å; L314-M340 HydrophobicContact CG-CE 4.27Å; L314-V341 PolarHBondContact N-O 3.04Å; L314-S342 WeakPolarHBondContact O-CA 3.44Å; L314-S342 PolarHBondContact O-OG 3.36Å; L314-P357 HydrophobicContact CD2-CG 3.71Å
315	S	79.9	Confident	78.2	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.007	16%	0.164	C	C	.	.			trans	-81.9	34.2	179.6	-61.2	0	0	0	0	112.9	N313 S422 P426	N313-S315 PolarHBondContact ND2-OG 3.39Å; N313-S315 PolarHBondContact OD1-OG 2.89Å; S315-S422 WeakPolarHBondContact CB-O 3.08Å; S315-S422 VanDerWaalsContact O-CB 3.24Å; S315-S422 WeakPolarHBondContact O-CB 3.3Å; S315-S422 PolarHBondContact OG-O 2.77Å; S315-P426 WeakPolarHBondContact OG-CD 3.41Å
316	I	69.6	Low	77.8	Confident	13 Å²	13	31.7 Å²	31.7	7%	0.067	16%	0.16	C	C	.	.			trans	-128.9	141.4	-176	-66.3	135.3	0	0	0	106.2	F55 F225 F286 L314 S342	F55-I316 HydrophobicContact CE1-CG2 3.54Å; F55-I316 HydrophobicContact CZ-CB 4.44Å; F55-I316 HydrophobicContact CZ-CG2 3.65Å; F225-I316 VanDerWaalsContact O-CD1 3.26Å; F225-I316 WeakPolarHBondContact O-CD1 3.47Å; F286-I316 HydrophobicContact CD2-CD1 4.01Å; F286-I316 HydrophobicContact CE2-CD1 3.39Å; F286-I316 HydrophobicContact CE2-CG1 3.84Å; F286-I316 HydrophobicContact CE2-CG2 4.22Å; F286-I316 HydrophobicContact CZ-CD1 4.34Å; F286-I316 HydrophobicContact CZ-CG1 4.4Å; F286-I316 HydrophobicContact CZ-CG2 4.06Å; L314-I316 HydrophobicContact CD1-CB 4.2Å; L314-I316 HydrophobicContact CD1-CD1 3.66Å; L314-I316 HydrophobicContact CG-CB 4.2Å; L314-I316 HydrophobicContact CG-CD1 4.46Å; L314-I316 PolarHBondContact O-N 2.93Å; I316-S342 PolarHBondContact O-OG 2.79Å
317	G	61.6	Low	77.5	Confident	9 Å²	9	28.4 Å²	28.4	9%	0.093	14%	0.143	C	C	.	.			trans	-172.4	119.9	173.4	0	0	0	0	0	109.3	F55 N355 N356	F55-G317 VanDerWaalsContact CD2-O 3.23Å; F55-G317 WeakPolarHBondContact CD2-O 3.21Å; F55-G317 VanDerWaalsContact CE2-C 3.42Å; F55-G317 WeakPolarHBondContact CE2-O 3.34Å; G317-N355 PolarHBondContact O-ND2 3.23Å; G317-N356 WeakPolarHBondContact CA-O 3.44Å
318	G	59.8	Low	77.2	Confident	5 Å²	5	26.9 Å²	26.9	5%	0.052	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-121.8	-170.8	174.7	0	0	0	0	0	111.1	F55 D320 N355 N356	F55-G318 VanDerWaalsContact CD2-CA 3.46Å; G318-D320 PolarHBondContact O-N 2.88Å; G318-N355 WeakPolarHBondContact O-CB 3.47Å; G318-N356 PolarHBondContact O-N 3.02Å
319	P	51.1	Low	77.1	Confident	51 Å²	51	20 Å²	20	33%	0.331	11%	0.109	S	C	.	.	S	Bend	trans	-71.7	54	167.5	32.8	-33.3	0	0	0	109.6	F321	P319-F321 VanDerWaalsContact CA-CE2 3.48Å; P319-F321 HydrophobicContact CB-CD2 4.17Å; P319-F321 HydrophobicContact CB-CE2 3.76Å; P319-F321 PolarHBondContact O-N 3.38Å; P319-F321 VanDerWaalsContact O-N 3.14Å
320	D	51.7	Low	76.9	Confident	29 Å²	29	19.9 Å²	19.9	16%	0.155	11%	0.108	C	C	.	.			trans	-90.3	49.7	-176.2	-159.5	18.9	0	0	0	109.3	G318 M322 N356	G318-D320 PolarHBondContact O-N 2.88Å; D320-M322 PolarHBondContact O-N 2.8Å; D320-N356 HydrophobicContact CB-CB 4.37Å; D320-N356 VanDerWaalsContact O-CB 3.32Å; D320-N356 WeakPolarHBondContact O-CB 3.5Å; D320-N356 PolarHBondContact O-OD1 3.46Å
321	F	50.1	Low	76.7	Confident	17 Å²	17	22 Å²	22	8%	0.075	11%	0.114	C	C	.	.			trans	-84.1	105.7	-179.3	-38.7	-85.7	0	0	0	108.3	P319 L354 N356 P642	P319-F321 VanDerWaalsContact CA-CE2 3.48Å; P319-F321 HydrophobicContact CB-CD2 4.17Å; P319-F321 HydrophobicContact CB-CE2 3.76Å; P319-F321 PolarHBondContact O-N 3.38Å; P319-F321 VanDerWaalsContact O-N 3.14Å; F321-L354 WeakPolarHBondContact CE1-O 3.44Å; F321-L354 WeakPolarHBondContact CZ-O 3.4Å; F321-N356 HydrophobicContact CD1-CB 4.22Å; F321-P642 HydrophobicContact CB-CG 3.67Å; F321-P642 HydrophobicContact CD2-CG 4.41Å; F321-P642 WeakPolarHBondContact O-CG 3.21Å
322	M	50.5	Low	76.6	Confident	101 Å²	101	24.2 Å²	24.2	50%	0.498	12%	0.124	S	C	.	.			trans	89.9	37	163.7	-45.2	-149	165.7	0	0	117.9	D320 H324	D320-M322 PolarHBondContact O-N 2.8Å; M322-H324 PolarHBondContact O-N 3.1Å
323	D	64.8	Low	76.4	Confident	8 Å²	8	24.2 Å²	24.2	4%	0.043	12%	0.124	C	C	.	.			trans	-66.4	86	138.6	-160.5	-31.8	0	0	0	107.5	T294 P325 F326 V327	T294-D323 WeakPolarHBondContact CB-OD2 3.47Å; T294-D323 VanDerWaalsContact CG2-CG 3.43Å; T294-D323 WeakPolarHBondContact CG2-OD2 3.12Å; T294-D323 PolarHBondContact OG1-OD2 3.21Å; D323-P325 VanDerWaalsContact C-CD 3.5Å; D323-P325 WeakPolarHBondContact OD1-CB 3.32Å; D323-P325 WeakPolarHBondContact OD1-CD 3.01Å; D323-P325 WeakPolarHBondContact OD1-CG 3.44Å; D323-F326 HydrophobicContact CB-CB 3.96Å; D323-F326 WeakPolarHBondContact O-CA 3.46Å; D323-F326 VanDerWaalsContact O-CB 3.3Å; D323-F326 WeakPolarHBondContact O-CB 3.1Å; D323-F326 PolarHBondContact O-N 3.27Å; D323-V327 PolarHBondContact O-N 3.02Å; D323-V327 VanDerWaalsContact O-N 3.12Å
324	H	72.9	Confident	76.4	Confident	77 Å²	77	24.2 Å²	24.2	36%	0.356	12%	0.124	S	C	.	.	H	α-helix	trans	-47.5	-43.6	-179.7	-74.4	154.4	0	0	0	112.6	R133 M322 F326 V327 D328	R133-H324 VanDerWaalsContact NH1-CB 3.26Å; R133-H324 VanDerWaalsContact NH1-CG 3.26Å; R133-H324 PolarHBondContact NH1-ND1 3.06Å; M322-H324 PolarHBondContact O-N 3.1Å; H324-F326 VanDerWaalsContact C-N 3.28Å; H324-F326 PolarHBondContact O-N 2.84Å; H324-V327 PolarHBondContact O-N 3.26Å; H324-D328 VanDerWaalsContact O-CB 3.29Å; H324-D328 WeakPolarHBondContact O-CB 3.01Å; H324-D328 PolarHBondContact O-N 2.91Å
325	P	83.6	Confident	76.5	Confident	16 Å²	16	25.1 Å²	25.1	10%	0.104	13%	0.132	C	C	.	.	H	α-helix	trans	-49.8	-44.6	169.7	-24.9	21.9	0	0	0	114.3	I65 T135 T294 L298 D323 K329	I65-P325 HydrophobicContact CD1-CB 4.42Å; I65-P325 HydrophobicContact CD1-CG 4.29Å; T135-P325 HydrophobicContact CG2-CG 4.06Å; T135-P325 WeakPolarHBondContact OG1-CG 3.28Å; T294-P325 HydrophobicContact CG2-CB 4.31Å; L298-P325 HydrophobicContact CD1-CB 3.95Å; L298-P325 HydrophobicContact CD2-CB 4.21Å; L298-P325 VanDerWaalsContact CD2-O 3.31Å; L298-P325 WeakPolarHBondContact CD2-O 3.28Å; D323-P325 VanDerWaalsContact C-CD 3.5Å; D323-P325 WeakPolarHBondContact OD1-CB 3.32Å; D323-P325 WeakPolarHBondContact OD1-CD 3.01Å; D323-P325 WeakPolarHBondContact OD1-CG 3.44Å; P325-K329 VanDerWaalsContact O-CB 3.23Å; P325-K329 WeakPolarHBondContact O-CB 2.92Å; P325-K329 PolarHBondContact O-N 2.94Å
326	F	85.2	Confident	77.2	Confident	7 Å²	7	28.9 Å²	28.9	3%	0.031	15%	0.152	C	C	.	.	H	α-helix	trans	-66.4	-48	-179.9	-178.1	-95.2	0	0	0	111.8	T294 F297 F301 L314 D323 H324 K329 V330 P357	T294-F326 HydrophobicContact CG2-CB 4.43Å; F297-F326 HydrophobicContact CB-CD2 3.95Å; F297-F326 HydrophobicContact CB-CE2 3.95Å; F297-F326 AromaticContact CD1-CE2 3.93Å; F297-F326 HydrophobicContact CD1-CE2 3.93Å; F297-F326 HydrophobicContact CD2-CE2 4.37Å; F297-F326 HydrophobicContact CG-CD2 4.22Å; F297-F326 AromaticContact CG-CE2 3.84Å; F297-F326 HydrophobicContact CG-CE2 3.84Å; F301-F326 AromaticContact CE2-CD2 3.89Å; F301-F326 HydrophobicContact CE2-CD2 3.89Å; F301-F326 AromaticContact CE2-CE2 3.5Å; F301-F326 HydrophobicContact CE2-CE2 3.5Å; F301-F326 HydrophobicContact CE2-CZ 4.16Å; F301-F326 AromaticContact CZ-CE2 3.85Å; F301-F326 HydrophobicContact CZ-CE2 3.85Å; F301-F326 HydrophobicContact CZ-CZ 4.17Å; L314-F326 HydrophobicContact CD2-CZ 3.99Å; D323-F326 HydrophobicContact CB-CB 3.96Å; D323-F326 WeakPolarHBondContact O-CA 3.46Å; D323-F326 VanDerWaalsContact O-CB 3.3Å; D323-F326 WeakPolarHBondContact O-CB 3.1Å; D323-F326 PolarHBondContact O-N 3.27Å; H324-F326 VanDerWaalsContact C-N 3.28Å; H324-F326 PolarHBondContact O-N 2.84Å; F326-K329 PolarHBondContact O-N 3.46Å; F326-V330 HydrophobicContact CD1-CG2 4.22Å; F326-V330 HydrophobicContact CE1-CG2 3.9Å; F326-V330 HydrophobicContact CZ-CG2 4.22Å; F326-V330 WeakPolarHBondContact O-CG2 3.34Å; F326-V330 PolarHBondContact O-N 2.93Å; F326-P357 HydrophobicContact CE1-CB 4.05Å; F326-P357 HydrophobicContact CE1-CG 3.97Å; F326-P357 HydrophobicContact CZ-CG 4.26Å
327	V	85.1	Confident	78.3	Confident	13 Å²	13	31.5 Å²	31.5	8%	0.079	17%	0.166	C	C	.	.	H	α-helix	trans	-66.8	-44.1	-179.7	179.4	0	0	0	0	111.7	D323 H324 K329 V330 W331	D323-V327 PolarHBondContact O-N 3.02Å; D323-V327 VanDerWaalsContact O-N 3.12Å; H324-V327 PolarHBondContact O-N 3.26Å; V327-K329 PolarHBondContact O-N 3.25Å; V327-V330 WeakPolarHBondContact O-CB 3.45Å; V327-V330 PolarHBondContact O-N 3.38Å; V327-V330 VanDerWaalsContact O-N 3.09Å; V327-W331 HydrophobicContact CG1-CD2 4.21Å; V327-W331 HydrophobicContact CG1-CH2 4.15Å; V327-W331 HydrophobicContact CG1-CZ2 3.66Å; V327-W331 PolarHBondContact O-N 3.48Å
328	D	87.6	Confident	80	Confident	37 Å²	37	31.1 Å²	31.1	20%	0.198	16%	0.162	C	C	.	.	H	α-helix	trans	-55.5	-42.3	173.8	-82.8	10.6	0	0	0	110.2	K132 R133 H324 W331 E332	K132-D328 IonicContact NZ-OD2 2.66Å; K132-D328 PolarHBondContact NZ-OD2 3.39Å; R133-D328 IonicContact NH2-OD2 3.74Å; R133-D328 PolarHBondContact NH2-OD2 3.11Å; H324-D328 VanDerWaalsContact O-CB 3.29Å; H324-D328 WeakPolarHBondContact O-CB 3.01Å; H324-D328 PolarHBondContact O-N 2.91Å; D328-W331 PolarHBondContact O-N 3.46Å; D328-E332 PolarHBondContact O-N 2.89Å
329	K	91.1	Very high	81.8	Confident	3 Å²	3	31.1 Å²	31.1	1%	0.013	16%	0.16	C	C	.	.	H	α-helix	trans	-70.3	-34	178.4	-169.2	59.7	56	178.4	0	112.9	Y71 D108 L298 F301 N302 P325 F326 V327 E332 L333	Y71-K329 PolarHBondContact OH-NZ 3.48Å; D108-K329 IonicContact OD1-NZ 2.95Å; D108-K329 PolarHBondContact OD1-NZ 3.33Å; D108-K329 IonicContact OD2-NZ 3.9Å; D108-K329 PolarHBondContact OD2-NZ 3.35Å; L298-K329 HydrophobicContact CD2-CB 3.58Å; L298-K329 HydrophobicContact CD2-CG 3.86Å; F301-K329 HydrophobicContact CB-CD 4.03Å; F301-K329 HydrophobicContact CB-CG 3.56Å; F301-K329 HydrophobicContact CD2-CB 4.23Å; F301-K329 HydrophobicContact CD2-CG 3.54Å; F301-K329 HydrophobicContact CG-CG 3.95Å; N302-K329 PolarHBondContact OD1-NZ 2.86Å; P325-K329 VanDerWaalsContact O-CB 3.23Å; P325-K329 WeakPolarHBondContact O-CB 2.92Å; P325-K329 PolarHBondContact O-N 2.94Å; F326-K329 PolarHBondContact O-N 3.46Å; V327-K329 PolarHBondContact O-N 3.25Å; K329-E332 WeakPolarHBondContact CE-OE2 3.35Å; K329-E332 IonicContact NZ-OE2 2.62Å; K329-E332 PolarHBondContact NZ-OE2 2.89Å; K329-E332 PolarHBondContact O-N 3.35Å; K329-L333 WeakPolarHBondContact O-CB 3.45Å; K329-L333 PolarHBondContact O-N 3.37Å
330	V	91.9	Very high	83.9	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.7	-44.6	171.9	166.3	0	0	0	0	110.5	F301 F326 V327 L333 T334 M340 P357 V363	F301-V330 HydrophobicContact CE2-CG2 4.35Å; F301-V330 HydrophobicContact CZ-CG2 4.4Å; F326-V330 HydrophobicContact CD1-CG2 4.22Å; F326-V330 HydrophobicContact CE1-CG2 3.9Å; F326-V330 HydrophobicContact CZ-CG2 4.22Å; F326-V330 WeakPolarHBondContact O-CG2 3.34Å; F326-V330 PolarHBondContact O-N 2.93Å; V327-V330 WeakPolarHBondContact O-CB 3.45Å; V327-V330 PolarHBondContact O-N 3.38Å; V327-V330 VanDerWaalsContact O-N 3.09Å; V330-L333 PolarHBondContact O-N 3.26Å; V330-T334 WeakPolarHBondContact O-CG2 3.42Å; V330-T334 PolarHBondContact O-N 2.74Å; V330-T334 PolarHBondContact O-OG1 3.27Å; V330-M340 HydrophobicContact CG1-SD 3.81Å; V330-M340 HydrophobicContact CG2-CE 4.19Å; V330-M340 HydrophobicContact CG2-SD 4.18Å; V330-P357 HydrophobicContact CG1-CB 4.4Å; V330-P357 HydrophobicContact CG2-CB 4.22Å; V330-V363 HydrophobicContact CG1-CG2 3.67Å
331	W	92.6	Very high	86.1	Confident	73 Å²	73	27.3 Å²	27.3	28%	0.277	14%	0.138	S	C	.	.	H	α-helix	trans	-61.9	-45.9	175.5	-65.1	-23.8	0	0	0	111.6	V327 D328 L333 T334 A335 Q360 W564 P565	V327-W331 HydrophobicContact CG1-CD2 4.21Å; V327-W331 HydrophobicContact CG1-CH2 4.15Å; V327-W331 HydrophobicContact CG1-CZ2 3.66Å; V327-W331 PolarHBondContact O-N 3.48Å; D328-W331 PolarHBondContact O-N 3.46Å; W331-L333 PolarHBondContact O-N 3.01Å; W331-T334 PolarHBondContact O-N 3.09Å; W331-T334 PolarHBondContact O-OG1 3.13Å; W331-A335 WeakPolarHBondContact O-CB 3.46Å; W331-A335 PolarHBondContact O-N 3.02Å; W331-Q360 VanDerWaalsContact NE1-OE1 3.08Å; W331-W564 HydrophobicContact CB-CH2 3.91Å; W331-W564 HydrophobicContact CB-CZ3 4.14Å; W331-W564 HydrophobicContact CD2-CZ3 4.18Å; W331-W564 HydrophobicContact CE3-CH2 4.16Å; W331-W564 AromaticContact CE3-CZ3 3.68Å; W331-W564 HydrophobicContact CE3-CZ3 3.68Å; W331-W564 HydrophobicContact CG-CZ3 4.42Å; W331-W564 HydrophobicContact CZ3-CZ3 4.41Å; W331-P565 HydrophobicContact CB-CG 3.99Å; W331-P565 HydrophobicContact CG-CG 4.44Å; W331-P565 WeakPolarHBondContact O-CG 3.43Å
332	E	93.8	Very high	88.2	Confident	46 Å²	46	26.5 Å²	26.5	22%	0.215	13%	0.134	C	C	.	.	H	α-helix	trans	-61.7	-42.8	175.7	-179.7	175.4	-160.3	0	0	113.1	Y71 I305 D328 K329 T334 A335 N336	Y71-E332 WeakPolarHBondContact CE2-OE1 3.39Å; Y71-E332 PolarHBondContact OH-OE1 3.36Å; I305-E332 HydrophobicContact CD1-CG 4.16Å; D328-E332 PolarHBondContact O-N 2.89Å; K329-E332 WeakPolarHBondContact CE-OE2 3.35Å; K329-E332 IonicContact NZ-OE2 2.62Å; K329-E332 PolarHBondContact NZ-OE2 2.89Å; K329-E332 PolarHBondContact O-N 3.35Å; E332-T334 VanDerWaalsContact C-N 3.34Å; E332-T334 PolarHBondContact O-N 3.43Å; E332-A335 WeakPolarHBondContact O-CB 3.2Å; E332-A335 PolarHBondContact O-N 2.95Å; E332-N336 PolarHBondContact O-N 2.94Å; E332-N336 PolarHBondContact O-ND2 2.92Å
333	L	94.6	Very high	90.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-57	-49.8	176.5	179.5	92.8	0	0	0	110.2	F301 A304 I305 L312 K329 V330 W331 N336 V338 M340	F301-L333 HydrophobicContact CB-CD1 4.16Å; F301-L333 HydrophobicContact CD1-CD1 3.84Å; F301-L333 HydrophobicContact CD1-CD2 4.11Å; F301-L333 HydrophobicContact CD1-CG 4.47Å; F301-L333 HydrophobicContact CE1-CD2 4.2Å; F301-L333 HydrophobicContact CG-CD1 4.34Å; A304-L333 HydrophobicContact CB-CD1 4.2Å; I305-L333 HydrophobicContact CG1-CD1 3.98Å; L312-L333 HydrophobicContact CD1-CD1 4.19Å; L312-L333 HydrophobicContact CD1-CD2 3.94Å; K329-L333 WeakPolarHBondContact O-CB 3.45Å; K329-L333 PolarHBondContact O-N 3.37Å; V330-L333 PolarHBondContact O-N 3.26Å; W331-L333 PolarHBondContact O-N 3.01Å; L333-N336 PolarHBondContact O-N 2.98Å; L333-V338 HydrophobicContact CD1-CB 4.32Å; L333-V338 HydrophobicContact CD1-CG1 4.28Å; L333-V338 HydrophobicContact CD1-CG2 4.06Å; L333-V338 HydrophobicContact CD2-CB 4.36Å; L333-V338 HydrophobicContact CD2-CG1 4.13Å; L333-V338 HydrophobicContact CG-CB 3.88Å; L333-V338 HydrophobicContact CG-CG1 4.07Å; L333-V338 HydrophobicContact CG-CG2 4.05Å; L333-V338 WeakPolarHBondContact O-CB 3.29Å; L333-V338 WeakPolarHBondContact O-CG2 3.35Å; L333-V338 PolarHBondContact O-N 2.83Å; L333-M340 HydrophobicContact CD2-CB 4.42Å; L333-M340 HydrophobicContact CD2-CG 4.48Å; L333-M340 HydrophobicContact CD2-SD 3.89Å
334	T	95.3	Very high	91.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-66.3	-37.1	177.6	62.3	0	0	0	0	112	V330 W331 E332 N336 N337 M340 D362 P565 W566	V330-T334 WeakPolarHBondContact O-CG2 3.42Å; V330-T334 PolarHBondContact O-N 2.74Å; V330-T334 PolarHBondContact O-OG1 3.27Å; W331-T334 PolarHBondContact O-N 3.09Å; W331-T334 PolarHBondContact O-OG1 3.13Å; E332-T334 VanDerWaalsContact C-N 3.34Å; E332-T334 PolarHBondContact O-N 3.43Å; T334-N336 PolarHBondContact O-N 3.06Å; T334-N337 PolarHBondContact O-N 2.89Å; T334-M340 HydrophobicContact CG2-CB 4.16Å; T334-D362 HydrophobicContact CG2-CB 4.36Å; T334-P565 WeakPolarHBondContact OG1-CG 3.5Å; T334-W566 VanDerWaalsContact C-NE1 3.31Å; T334-W566 PolarHBondContact O-NE1 3.09Å
335	A	94.6	Very high	92.3	Very high	21 Å²	21	18 Å²	18	17%	0.174	9%	0.094	C	C	.	.	H	α-helix	trans	-59.4	-28.1	175	0	0	0	0	0	112.7	W331 E332 N337 V532 P565	W331-A335 WeakPolarHBondContact O-CB 3.46Å; W331-A335 PolarHBondContact O-N 3.02Å; E332-A335 WeakPolarHBondContact O-CB 3.2Å; E332-A335 PolarHBondContact O-N 2.95Å; A335-N337 PolarHBondContact O-N 2.88Å; A335-V532 HydrophobicContact CB-CG1 3.87Å; A335-P565 HydrophobicContact CB-CB 3.69Å
336	N	94.1	Very high	92.5	Very high	80 Å²	80	18.5 Å²	18.5	43%	0.428	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	27.7	174.1	-76.1	-84.7	0	0	0	113.4	I305 E332 L333 T334 V338	I305-N336 HydrophobicContact CG1-CB 4.18Å; I305-N336 HydrophobicContact CG2-CB 3.87Å; E332-N336 PolarHBondContact O-N 2.94Å; E332-N336 PolarHBondContact O-ND2 2.92Å; L333-N336 PolarHBondContact O-N 2.98Å; T334-N336 PolarHBondContact O-N 3.06Å; N336-V338 VanDerWaalsContact C-N 3.25Å; N336-V338 PolarHBondContact O-N 3.5Å
337	N	93.3	Very high	92.5	Very high	68 Å²	68	20.8 Å²	20.8	36%	0.364	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	19.3	177.4	-77.9	-35.2	0	0	0	115.9	T334 A335 N446 W566	T334-N337 PolarHBondContact O-N 2.89Å; A335-N337 PolarHBondContact O-N 2.88Å; N337-N446 WeakPolarHBondContact OD1-CB 3.46Å; N337-W566 WeakPolarHBondContact OD1-CH2 3.44Å; N337-W566 WeakPolarHBondContact OD1-CZ2 3.33Å
338	V	95.9	Very high	92.7	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	11%	0.112	C	C	.	.			trans	-83.8	121	174.4	-172.9	0	0	0	0	109.9	I309 L312 L333 N336 M340 P447	I309-V338 HydrophobicContact CG2-CG1 4.37Å; I309-V338 WeakPolarHBondContact O-CG2 2.89Å; L312-V338 HydrophobicContact CB-CG1 3.75Å; L333-V338 HydrophobicContact CD1-CB 4.32Å; L333-V338 HydrophobicContact CD1-CG1 4.28Å; L333-V338 HydrophobicContact CD1-CG2 4.06Å; L333-V338 HydrophobicContact CD2-CB 4.36Å; L333-V338 HydrophobicContact CD2-CG1 4.13Å; L333-V338 HydrophobicContact CG-CB 3.88Å; L333-V338 HydrophobicContact CG-CG1 4.07Å; L333-V338 HydrophobicContact CG-CG2 4.05Å; L333-V338 WeakPolarHBondContact O-CB 3.29Å; L333-V338 WeakPolarHBondContact O-CG2 3.35Å; L333-V338 PolarHBondContact O-N 2.83Å; N336-V338 VanDerWaalsContact C-N 3.25Å; N336-V338 PolarHBondContact O-N 3.5Å; V338-M340 PolarHBondContact O-N 3.01Å; V338-P447 WeakPolarHBondContact O-CG 3.38Å
339	I	97.2	Very high	92.7	Very high	5 Å²	5	22.2 Å²	22.2	3%	0.026	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	106.4	177	-54.1	171.5	0	0	0	109.2	D310 V311 L312 I364 V432 V436 V445 P447 M450	D310-I339 PolarHBondContact O-N 3.45Å; V311-I339 WeakPolarHBondContact CA-O 3.47Å; L312-I339 PolarHBondContact N-O 3.17Å; I339-I364 HydrophobicContact CG2-CD1 3.67Å; I339-V432 HydrophobicContact CB-CG1 4.47Å; I339-V432 HydrophobicContact CD1-CG1 4.16Å; I339-V432 HydrophobicContact CG2-CG1 3.95Å; I339-V436 HydrophobicContact CD1-CG2 3.93Å; I339-V445 HydrophobicContact CD1-CG1 4.13Å; I339-P447 HydrophobicContact CG1-CG 4.34Å; I339-M450 HydrophobicContact CD1-CB 3.94Å; I339-M450 HydrophobicContact CD1-CE 4.32Å; I339-M450 HydrophobicContact CD1-CG 4.13Å; I339-M450 HydrophobicContact CG2-CB 4.4Å; I339-M450 HydrophobicContact CG2-CG 4.16Å
340	M	96.4	Very high	92.6	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	128.5	-178.8	-170.1	171.2	-179.5	0	0	112.2	F301 L312 L314 V330 L333 T334 V338 P357 V363 I364	F301-M340 HydrophobicContact CZ-CE 4.46Å; L312-M340 HydrophobicContact CD2-CE 4.23Å; L312-M340 HydrophobicContact CD2-CG 4.1Å; L312-M340 WeakPolarHBondContact O-CA 3.47Å; L314-M340 HydrophobicContact CB-CE 3.83Å; L314-M340 HydrophobicContact CD2-CE 3.43Å; L314-M340 VanDerWaalsContact CD2-CE 3.43Å; L314-M340 HydrophobicContact CG-CE 4.27Å; V330-M340 HydrophobicContact CG1-SD 3.81Å; V330-M340 HydrophobicContact CG2-CE 4.19Å; V330-M340 HydrophobicContact CG2-SD 4.18Å; L333-M340 HydrophobicContact CD2-CB 4.42Å; L333-M340 HydrophobicContact CD2-CG 4.48Å; L333-M340 HydrophobicContact CD2-SD 3.89Å; T334-M340 HydrophobicContact CG2-CB 4.16Å; V338-M340 PolarHBondContact O-N 3.01Å; M340-P357 HydrophobicContact CE-CB 4.42Å; M340-P357 HydrophobicContact CE-CG 3.58Å; M340-V363 HydrophobicContact CB-CG2 4.39Å; M340-V363 HydrophobicContact CG-CG1 4.19Å; M340-V363 HydrophobicContact CG-CG2 4.29Å; M340-V363 HydrophobicContact SD-CG2 3.94Å; M340-I364 PolarHBondContact O-N 2.93Å
341	V	97.6	Very high	92.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.2	176.1	-173.5	0	0	0	0	109.3	L312 L314 I364 V366 S425 V428 A429	L312-V341 PolarHBondContact O-N 2.9Å; L314-V341 PolarHBondContact N-O 3.04Å; V341-I364 HydrophobicContact CG2-CB 4.35Å; V341-I364 HydrophobicContact CG2-CD1 4.23Å; V341-V366 HydrophobicContact CG1-CG2 3.73Å; V341-S425 WeakPolarHBondContact CG1-O 3.39Å; V341-S425 PolarHBondContact O-OG 3.13Å; V341-V428 HydrophobicContact CG1-CB 3.94Å; V341-V428 HydrophobicContact CG1-CG1 3.93Å; V341-V428 HydrophobicContact CG2-CG1 4.47Å; V341-A429 HydrophobicContact CB-CB 4.19Å; V341-A429 HydrophobicContact CG1-CB 4.4Å; V341-A429 HydrophobicContact CG2-CB 4.29Å
342	S	94.8	Very high	92.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	154.6	-177.2	-171.5	0	0	0	0	112.9	L314 I316 I364 V366	L314-S342 WeakPolarHBondContact O-CA 3.44Å; L314-S342 PolarHBondContact O-OG 3.36Å; I316-S342 PolarHBondContact O-OG 2.79Å; S342-I364 PolarHBondContact N-O 3.47Å; S342-V366 PolarHBondContact O-N 3.11Å
343	A	92.9	Very high	91.9	Very high	4 Å²	4	19.3 Å²	19.3	3%	0.033	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	134.7	-178.9	0	0	0	0	0	111	G345 A358 T421	A343-G345 PolarHBondContact O-N 2.93Å; A343-A358 WeakPolarHBondContact O-CB 3.37Å; A343-T421 VanDerWaalsContact CB-C 3.41Å; A343-T421 WeakPolarHBondContact CB-O 3.18Å
344	I	91.3	Very high	91.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.114	C	C	.	.			trans	-71.2	-14	-174.1	-158.8	63.8	0	0	0	115.1	L354 N355 A358 V366 S380 K396 P397 T421	I344-L354 HydrophobicContact CD1-CD2 3.95Å; I344-L354 HydrophobicContact CG1-CD2 3.62Å; I344-N355 PolarHBondContact O-N 2.92Å; I344-A358 HydrophobicContact CD1-CB 3.92Å; I344-V366 WeakPolarHBondContact CG2-O 3.48Å; I344-V366 PolarHBondContact N-O 3.12Å; I344-S380 WeakPolarHBondContact O-CB 3.25Å; I344-K396 HydrophobicContact CD1-CB 4.22Å; I344-K396 HydrophobicContact CD1-CD 4.48Å; I344-P397 HydrophobicContact CB-CB 4.25Å; I344-P397 HydrophobicContact CD1-CB 4.22Å; I344-P397 HydrophobicContact CG1-CB 3.95Å; I344-P397 HydrophobicContact CG2-CB 4.5Å; I344-T421 HydrophobicContact CG2-CG2 4.03Å
345	G	89.6	Confident	90.9	Very high	3 Å²	3	19.5 Å²	19.5	3%	0.031	12%	0.115	C	C	.	.			trans	120.7	163.4	-176	0	0	0	0	0	112.9	A343 N355 S380 T421	A343-G345 PolarHBondContact O-N 2.93Å; G345-N355 WeakPolarHBondContact CA-ND2 2.99Å; G345-S380 VanDerWaalsContact CA-OG 3.32Å; G345-S380 WeakPolarHBondContact CA-OG 3.43Å; G345-S380 PolarHBondContact O-N 3.22Å; G345-S380 PolarHBondContact O-OG 3.48Å; G345-T421 VanDerWaalsContact C-OG1 3.26Å; G345-T421 PolarHBondContact N-OG1 3.16Å; G345-T421 WeakPolarHBondContact O-CB 3.24Å; G345-T421 WeakPolarHBondContact O-CG2 3.36Å; G345-T421 PolarHBondContact O-OG1 2.57Å
346	N	88.8	Confident	90.3	Very high	26 Å²	26	18.7 Å²	18.7	14%	0.139	11%	0.108	C	C	.	.	S	Bend	trans	-119	17.5	-176	-71.2	-48	0	0	0	113.2	F378 S380 T421	N346-F378 CarbonylContact C-O 3.42Å; N346-F378 WeakPolarHBondContact CA-O 3.49Å; N346-F378 VanDerWaalsContact O-O 3.09Å; N346-F378 WeakPolarHBondContact OD1-CD2 3.37Å; N346-S380 PolarHBondContact N-OG 2.63Å; N346-T421 PolarHBondContact OD1-N 2.78Å; N346-T421 PolarHBondContact OD1-OG1 3.04Å
347	D	85.2	Confident	90	Very high	55 Å²	55	15 Å²	15	29%	0.294	9%	0.088	S	C	.	.			trans	-102.6	13.4	-168.6	-52.5	-63.5	0	0	0	112.6	T353 N355 F378 S380 W660	D347-T353 HydrophobicContact CB-CG2 4.3Å; D347-T353 WeakPolarHBondContact O-CG2 3.43Å; D347-N355 PolarHBondContact OD2-ND2 3.16Å; D347-F378 PolarHBondContact N-O 3.39Å; D347-S380 PolarHBondContact N-OG 2.87Å; D347-S380 VanDerWaalsContact N-OG 3.15Å; D347-W660 HydrophobicContact CB-CH2 3.45Å; D347-W660 VanDerWaalsContact CB-CH2 3.45Å; D347-W660 HydrophobicContact CB-CZ2 4.31Å; D347-W660 HydrophobicContact CB-CZ3 4.28Å
348	G	87.4	Confident	89.9	Confident	15 Å²	15	11.7 Å²	11.7	16%	0.155	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	162.7	168.7	0	0	0	0	0	112.6	R377 F378	G348-R377 CarbonylContact C-O 3.56Å; G348-R377 WeakPolarHBondContact CA-O 3.13Å; G348-F378 PolarHBondContact N-O 3.42Å; G348-F378 VanDerWaalsContact N-O 3.1Å
349	P	89.6	Confident	89.6	Confident	66 Å²	66	11.8 Å²	11.8	43%	0.429	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	cis	-96.5	5.8	17.2	37.1	-36.1	0	0	0	114.8	R377 R381	P349-R377 HydrophobicContact CB-CG 4.27Å; P349-R377 HydrophobicContact CG-CG 4.08Å; P349-R381 VanDerWaalsContact O-CD 3.29Å; P349-R381 WeakPolarHBondContact O-CD 3.41Å
350	L	87.3	Confident	89.3	Confident	54 Å²	54	12.5 Å²	12.5	28%	0.283	7%	0.074	S	C	.	.	S	Bend	trans	-63.4	148.8	177.4	-66.5	174.9	0	0	0	111	T353	L350-T353 HydrophobicContact CB-CG2 3.86Å; L350-T353 VanDerWaalsContact O-CG2 3.29Å; L350-T353 WeakPolarHBondContact O-CG2 3.34Å; L350-T353 PolarHBondContact O-OG1 2.87Å
351	Y	89.3	Confident	89.1	Confident	6 Å²	6	12.8 Å²	12.8	2%	0.024	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-85.6	151.1	175.1	-80.4	-124.8	0	0	0	109.5	R381 N465 F467 E468 W506 R670	Y351-R381 WeakPolarHBondContact CA-O 3.32Å; Y351-R381 HydrophobicContact CD2-CG 3.76Å; Y351-R381 VanDerWaalsContact CE2-CD 3.41Å; Y351-R381 HydrophobicContact CE2-CG 3.78Å; Y351-R381 HydrophobicContact CG-CG 4.22Å; Y351-N465 PolarHBondContact OH-ND2 3.38Å; Y351-F467 HydrophobicContact CE1-CB 4.41Å; Y351-E468 WeakPolarHBondContact OH-CG 3.33Å; Y351-E468 PolarHBondContact OH-OE1 2.94Å; Y351-W506 HydrophobicContact CD1-CH2 4.37Å; Y351-W506 AromaticContact CD1-CZ3 3.91Å; Y351-W506 HydrophobicContact CD1-CZ3 3.91Å; Y351-W506 HydrophobicContact CE1-CE3 4.16Å; Y351-W506 HydrophobicContact CE1-CH2 4.2Å; Y351-W506 AromaticContact CE1-CZ3 3.47Å; Y351-W506 HydrophobicContact CE1-CZ3 3.47Å; Y351-W506 VanDerWaalsContact CE1-CZ3 3.47Å; Y351-R670 PolarHBondContact OH-NH2 2.52Å
352	G	86.8	Confident	88.8	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	14.7	-176.2	0	0	0	0	0	113.7	R381 T385	G352-R381 PolarHBondContact N-O 3.27Å; G352-T385 VanDerWaalsContact CA-CG2 3.46Å; G352-T385 WeakPolarHBondContact O-CG2 3.36Å
353	T	87.1	Confident	88.8	Confident	1 Å²	1	13.4 Å²	13.4	1%	0.006	8%	0.079	C	C	.	.			trans	-101.5	18.6	-169.8	52	0	0	0	0	114	D347 L350 N355 S380 R381 W660	D347-T353 HydrophobicContact CB-CG2 4.3Å; D347-T353 WeakPolarHBondContact O-CG2 3.43Å; L350-T353 HydrophobicContact CB-CG2 3.86Å; L350-T353 VanDerWaalsContact O-CG2 3.29Å; L350-T353 WeakPolarHBondContact O-CG2 3.34Å; L350-T353 PolarHBondContact O-OG1 2.87Å; T353-N355 PolarHBondContact O-OD1 2.97Å; T353-S380 WeakPolarHBondContact O-CB 3.31Å; T353-S380 PolarHBondContact O-OG 3.16Å; T353-S380 WeakPolarHBondContact OG1-CA 3.29Å; T353-S380 WeakPolarHBondContact OG1-CB 3.24Å; T353-R381 PolarHBondContact N-O 2.92Å; T353-R381 PolarHBondContact OG1-N 3.47Å; T353-R381 PolarHBondContact OG1-O 2.89Å; T353-W660 HydrophobicContact CG2-CH2 4.4Å; T353-W660 HydrophobicContact CG2-CZ3 4.43Å
354	L	87.2	Confident	89.1	Confident	1 Å²	1	13.4 Å²	13.4	1%	0.005	8%	0.078	C	C	.	.	P	Polyproline II helix	trans	-72.2	135.8	-176.5	-53.1	-177.9	0	0	0	111.3	F321 I344 D359 M383 K396	F321-L354 WeakPolarHBondContact CE1-O 3.44Å; F321-L354 WeakPolarHBondContact CZ-O 3.4Å; I344-L354 HydrophobicContact CD1-CD2 3.95Å; I344-L354 HydrophobicContact CG1-CD2 3.62Å; L354-D359 HydrophobicContact CB-CB 4.49Å; L354-M383 VanDerWaalsContact CD1-O 3.3Å; L354-M383 WeakPolarHBondContact CD1-O 3.38Å; L354-K396 HydrophobicContact CD1-CB 3.57Å; L354-K396 HydrophobicContact CD1-CG 4.31Å; L354-K396 HydrophobicContact CD2-CB 4.4Å
355	N	82.9	Confident	89.3	Confident	2 Å²	2	13.4 Å²	13.4	1%	0.011	8%	0.078	C	C	.	.	P	Polyproline II helix	trans	-102.2	150.8	-178.7	-67.5	-6.1	0	0	0	113	G317 G318 I344 G345 D347 T353 A358 D359	G317-N355 PolarHBondContact O-ND2 3.23Å; G318-N355 WeakPolarHBondContact O-CB 3.47Å; I344-N355 PolarHBondContact O-N 2.92Å; G345-N355 WeakPolarHBondContact CA-ND2 2.99Å; D347-N355 PolarHBondContact OD2-ND2 3.16Å; T353-N355 PolarHBondContact O-OD1 2.97Å; N355-A358 PolarHBondContact O-N 3.08Å; N355-D359 PolarHBondContact O-N 3.23Å; N355-D359 VanDerWaalsContact O-N 3.14Å
356	N	81.9	Confident	89.6	Confident	4 Å²	4	13.2 Å²	13.2	2%	0.021	8%	0.077	C	C	.	.	B	Isolated β-bridge	trans	-81	144.5	171.8	-171.3	-89.8	0	0	0	110.7	G317 G318 D320 F321 D359 Q360	G317-N356 WeakPolarHBondContact CA-O 3.44Å; G318-N356 PolarHBondContact O-N 3.02Å; D320-N356 HydrophobicContact CB-CB 4.37Å; D320-N356 VanDerWaalsContact O-CB 3.32Å; D320-N356 WeakPolarHBondContact O-CB 3.5Å; D320-N356 PolarHBondContact O-OD1 3.46Å; F321-N356 HydrophobicContact CD1-CB 4.22Å; N356-D359 WeakPolarHBondContact CA-OD1 3.33Å; N356-D359 PolarHBondContact ND2-OD1 2.94Å; N356-Q360 PolarHBondContact ND2-NE2 2.86Å
357	P	88.2	Confident	90	Very high	2 Å²	2	12 Å²	12	1%	0.013	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90.7	8.9	0.4	35.9	-35.2	0	0	0	115	L314 F326 V330 M340 D359 Q360 V363	L314-P357 HydrophobicContact CD2-CG 3.71Å; F326-P357 HydrophobicContact CE1-CB 4.05Å; F326-P357 HydrophobicContact CE1-CG 3.97Å; F326-P357 HydrophobicContact CZ-CG 4.26Å; V330-P357 HydrophobicContact CG1-CB 4.4Å; V330-P357 HydrophobicContact CG2-CB 4.22Å; M340-P357 HydrophobicContact CE-CB 4.42Å; M340-P357 HydrophobicContact CE-CG 3.58Å; P357-D359 PolarHBondContact O-N 2.89Å; P357-Q360 HydrophobicContact CB-CG 4.26Å; P357-Q360 VanDerWaalsContact O-CB 3.3Å; P357-Q360 WeakPolarHBondContact O-CB 3.48Å; P357-Q360 WeakPolarHBondContact O-CG 3.44Å; P357-Q360 PolarHBondContact O-N 2.89Å; P357-V363 WeakPolarHBondContact O-CB 3.41Å
358	A	91.1	Very high	90.5	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20	-179.7	0	0	0	0	0	113.4	A343 I344 N355 Q360 K396	A343-A358 WeakPolarHBondContact O-CB 3.37Å; I344-A358 HydrophobicContact CD1-CB 3.92Å; N355-A358 PolarHBondContact O-N 3.08Å; A358-Q360 VanDerWaalsContact C-N 3.3Å; A358-K396 WeakPolarHBondContact O-CE 3.23Å; A358-K396 PolarHBondContact O-NZ 2.98Å
359	D	88.9	Confident	90.9	Very high	3 Å²	3	8.7 Å²	8.7	2%	0.016	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-16.3	171.9	74	-19.8	0	0	0	114.1	L354 N355 N356 P357 M361	L354-D359 HydrophobicContact CB-CB 4.49Å; N355-D359 PolarHBondContact O-N 3.23Å; N355-D359 VanDerWaalsContact O-N 3.14Å; N356-D359 WeakPolarHBondContact CA-OD1 3.33Å; N356-D359 PolarHBondContact ND2-OD1 2.94Å; P357-D359 PolarHBondContact O-N 2.89Å; D359-M361 WeakPolarHBondContact O-CE 3.19Å
360	Q	90.8	Very high	91	Very high	19 Å²	19	7.1 Å²	7.1	9%	0.089	4%	0.037	C	C	.	.	S	Bend	trans	-70.5	142.7	178.4	-61.1	-57.4	-56	0	0	111.9	W331 N356 P357 A358 D362 V363 K396	W331-Q360 VanDerWaalsContact NE1-OE1 3.08Å; N356-Q360 PolarHBondContact ND2-NE2 2.86Å; P357-Q360 HydrophobicContact CB-CG 4.26Å; P357-Q360 VanDerWaalsContact O-CB 3.3Å; P357-Q360 WeakPolarHBondContact O-CB 3.48Å; P357-Q360 WeakPolarHBondContact O-CG 3.44Å; P357-Q360 PolarHBondContact O-N 2.89Å; A358-Q360 VanDerWaalsContact C-N 3.3Å; Q360-D362 PolarHBondContact O-N 3.07Å; Q360-V363 HydrophobicContact CB-CB 4.22Å; Q360-V363 HydrophobicContact CB-CG2 3.89Å; Q360-V363 PolarHBondContact O-N 2.84Å; Q360-K396 WeakPolarHBondContact O-CE 2.96Å; Q360-K396 PolarHBondContact O-NZ 3.07Å
361	M	91.8	Very high	91.2	Very high	8 Å²	8	8.1 Å²	8.1	4%	0.039	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-26	-173.9	-68.4	-59.1	137.2	0	0	114	D359 V363 T384 R394 K396 K451 T525 S567	D359-M361 WeakPolarHBondContact O-CE 3.19Å; M361-V363 VanDerWaalsContact C-N 3.34Å; M361-T384 HydrophobicContact CE-CG2 3.38Å; M361-R394 HydrophobicContact CE-CB 3.75Å; M361-R394 HydrophobicContact SD-CB 4.37Å; M361-K396 HydrophobicContact CE-CG 4.21Å; M361-K451 PolarHBondContact O-NZ 2.96Å; M361-T525 HydrophobicContact CB-CG2 4.08Å; M361-T525 HydrophobicContact CG-CG2 4.11Å; M361-T525 HydrophobicContact SD-CG2 3.96Å; M361-T525 PolarHBondContact SD-OG1 2.88Å; M361-S567 WeakPolarHBondContact CB-OG 3.41Å
362	D	92.8	Very high	91.2	Very high	12 Å²	12	13 Å²	13	6%	0.064	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-10	176.7	-48.1	-75	0	0	0	112.7	T334 Q360 P565 W566 S567	T334-D362 HydrophobicContact CG2-CB 4.36Å; Q360-D362 PolarHBondContact O-N 3.07Å; D362-P565 HydrophobicContact CB-CG 4.33Å; D362-P565 WeakPolarHBondContact OD2-CD 3.25Å; D362-W566 WeakPolarHBondContact OD1-CB 3.11Å; D362-W566 PolarHBondContact OD1-N 3.38Å; D362-W566 VanDerWaalsContact OD1-N 3.12Å; D362-S567 VanDerWaalsContact CG-OG 3.28Å; D362-S567 WeakPolarHBondContact OD1-CB 3.2Å; D362-S567 PolarHBondContact OD1-N 3.13Å; D362-S567 VanDerWaalsContact OD1-N 3.07Å; D362-S567 PolarHBondContact OD1-OG 3.1Å; D362-S567 PolarHBondContact OD2-OG 3.27Å
363	V	94.8	Very high	91.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.074	C	C	.	.	S	Bend	trans	-92	140.7	175.1	179.5	0	0	0	0	110	V330 M340 P357 Q360 M361 G365 K396 D398 K451	V330-V363 HydrophobicContact CG1-CG2 3.67Å; M340-V363 HydrophobicContact CB-CG2 4.39Å; M340-V363 HydrophobicContact CG-CG1 4.19Å; M340-V363 HydrophobicContact CG-CG2 4.29Å; M340-V363 HydrophobicContact SD-CG2 3.94Å; P357-V363 WeakPolarHBondContact O-CB 3.41Å; Q360-V363 HydrophobicContact CB-CB 4.22Å; Q360-V363 HydrophobicContact CB-CG2 3.89Å; Q360-V363 PolarHBondContact O-N 2.84Å; M361-V363 VanDerWaalsContact C-N 3.34Å; V363-G365 PolarHBondContact O-N 3.36Å; V363-K396 PolarHBondContact O-NZ 3.12Å; V363-D398 VanDerWaalsContact O-OD2 3.08Å; V363-K451 PolarHBondContact O-NZ 2.63Å
364	I	97.5	Very high	91.8	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.021	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	100.7	171	-59.9	163.7	0	0	0	107.8	I339 M340 V341 S342 V366 V428 M450 K451 L454	I339-I364 HydrophobicContact CG2-CD1 3.67Å; M340-I364 PolarHBondContact O-N 2.93Å; V341-I364 HydrophobicContact CG2-CB 4.35Å; V341-I364 HydrophobicContact CG2-CD1 4.23Å; S342-I364 PolarHBondContact N-O 3.47Å; I364-V366 HydrophobicContact CG2-CG2 4.19Å; I364-V428 HydrophobicContact CG2-CG1 4.14Å; I364-M450 HydrophobicContact CD1-CG 4.32Å; I364-K451 HydrophobicContact CG1-CB 4.18Å; I364-K451 HydrophobicContact CG1-CD 4.34Å; I364-K451 HydrophobicContact CG1-CG 4.28Å; I364-L454 HydrophobicContact CD1-CD1 3.82Å; I364-L454 HydrophobicContact CG2-CD1 4.19Å
365	G	96	Very high	92.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	123.1	178.8	0	0	0	0	0	111.5	V363 D398	V363-G365 PolarHBondContact O-N 3.36Å; G365-D398 PolarHBondContact N-OD2 3.17Å; G365-D398 PolarHBondContact O-N 3.34Å
366	V	97.4	Very high	92.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.6	-169.6	-174.1	0	0	0	0	111.8	V341 S342 I344 I364 T401 A424 V428	V341-V366 HydrophobicContact CG1-CG2 3.73Å; S342-V366 PolarHBondContact O-N 3.11Å; I344-V366 WeakPolarHBondContact CG2-O 3.48Å; I344-V366 PolarHBondContact N-O 3.12Å; I364-V366 HydrophobicContact CG2-CG2 4.19Å; V366-T401 HydrophobicContact CG1-CG2 3.86Å; V366-A424 HydrophobicContact CG1-CB 3.86Å; V366-V428 HydrophobicContact CB-CG2 4.29Å; V366-V428 HydrophobicContact CG1-CB 4.48Å; V366-V428 HydrophobicContact CG1-CG2 3.57Å; V366-V428 HydrophobicContact CG2-CB 3.85Å; V366-V428 HydrophobicContact CG2-CG1 4.11Å; V366-V428 HydrophobicContact CG2-CG2 3.66Å
367	G	96.6	Very high	93.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	164.5	170.3	0	0	0	0	0	113.7	I399 V400 T401	G367-I399 PolarHBondContact N-O 3.02Å; G367-V400 WeakPolarHBondContact O-CA 3.49Å; G367-T401 PolarHBondContact O-N 2.95Å
368	G	95.5	Very high	93.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	135.4	-174.7	0	0	0	0	0	113.7	A376 S379 T401	G368-A376 VanDerWaalsContact O-CB 3.29Å; G368-A376 WeakPolarHBondContact O-CB 3.38Å; G368-A376 PolarHBondContact O-N 3.17Å; G368-S379 PolarHBondContact N-OG 3.36Å; G368-T401 CarbonylContact C-O 3.5Å; G368-T401 WeakPolarHBondContact CA-O 3.39Å
369	I	95.8	Very high	93.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	161.9	169	55.5	160.2	0	0	0	111.9	N374 I375 V400 T401 Y402 G403 S404 L461 K473	I369-N374 CarbonylContact C-O 3.4Å; I369-N374 WeakPolarHBondContact CA-O 3.38Å; I369-N374 VanDerWaalsContact CB-O 3.23Å; I369-N374 WeakPolarHBondContact CB-O 2.9Å; I369-N374 WeakPolarHBondContact CG2-O 3.24Å; I369-I375 HydrophobicContact CG2-CD1 3.81Å; I369-V400 HydrophobicContact CG2-CB 3.93Å; I369-V400 HydrophobicContact CG2-CG2 3.82Å; I369-T401 WeakPolarHBondContact CG1-O 3.47Å; I369-T401 PolarHBondContact N-O 3.26Å; I369-Y402 HydrophobicContact CD1-CD1 4.13Å; I369-Y402 HydrophobicContact CD1-CE1 4.14Å; I369-Y402 HydrophobicContact CG1-CD1 4.22Å; I369-G403 PolarHBondContact O-N 2.72Å; I369-S404 PolarHBondContact O-N 2.85Å; I369-S404 VanDerWaalsContact O-N 3.16Å; I369-L461 HydrophobicContact CG2-CD1 3.86Å; I369-K473 HydrophobicContact CD1-CB 4.49Å; I369-K473 HydrophobicContact CD1-CD 3.73Å; I369-K473 HydrophobicContact CD1-CG 3.9Å
370	D	92.4	Very high	93.6	Very high	33 Å²	33	31.7 Å²	31.7	18%	0.176	15%	0.146	C	C	.	.			trans	-84.4	178.3	168.1	69.5	17.8	0	0	0	112.6	E372 D373 N374 Y402	D370-E372 PolarHBondContact O-N 3.33Å; D370-E372 VanDerWaalsContact OD1-C 3.26Å; D370-E372 VanDerWaalsContact OD1-CA 3.27Å; D370-E372 WeakPolarHBondContact OD1-CA 3.31Å; D370-E372 WeakPolarHBondContact OD1-CB 3.41Å; D370-E372 PolarHBondContact OD1-N 2.98Å; D370-D373 PolarHBondContact O-N 3.33Å; D370-D373 PolarHBondContact OD1-N 3.47Å; D370-N374 PolarHBondContact N-O 3.22Å; D370-N374 PolarHBondContact OD1-N 2.71Å; D370-N374 PolarHBondContact OD1-ND2 2.82Å; D370-N374 WeakPolarHBondContact OD2-CB 3.31Å; D370-N374 PolarHBondContact OD2-ND2 2.73Å; D370-Y402 WeakPolarHBondContact O-CD1 3.32Å; D370-Y402 WeakPolarHBondContact O-CE1 3.38Å
371	F	89.8	Confident	93.6	Very high	75 Å²	75	31.8 Å²	31.8	33%	0.329	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-8.6	178.1	-76.5	-80.2	0	0	0	113.6	V201 D373 Y402 S404 G405	V201-F371 HydrophobicContact CG2-CE1 4.02Å; V201-F371 HydrophobicContact CG2-CZ 3.71Å; F371-D373 VanDerWaalsContact C-N 3.34Å; F371-Y402 AromaticContact CD1-CD1 3.89Å; F371-Y402 HydrophobicContact CD1-CD1 3.89Å; F371-Y402 AromaticContact CD1-CE1 3.82Å; F371-Y402 HydrophobicContact CD1-CE1 3.82Å; F371-Y402 HydrophobicContact CD1-CG 4.45Å; F371-Y402 HydrophobicContact CE1-CD1 4.15Å; F371-Y402 HydrophobicContact CE1-CE1 4.38Å; F371-Y402 HydrophobicContact CE1-CG 4.26Å; F371-Y402 HydrophobicContact CG-CD1 4.3Å; F371-Y402 HydrophobicContact CG-CE1 4.35Å; F371-S404 WeakPolarHBondContact CE2-O 3.31Å; F371-G405 WeakPolarHBondContact CE2-O 3.04Å
372	E	90.1	Very high	93.5	Very high	110 Å²	110	31.4 Å²	31.4	51%	0.514	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	1.8	173	-72.2	73.2	-156.7	0	0	112.8	R195 D370 N374	R195-E372 IonicContact NH2-OE1 3.9Å; D370-E372 PolarHBondContact O-N 3.33Å; D370-E372 VanDerWaalsContact OD1-C 3.26Å; D370-E372 VanDerWaalsContact OD1-CA 3.27Å; D370-E372 WeakPolarHBondContact OD1-CA 3.31Å; D370-E372 WeakPolarHBondContact OD1-CB 3.41Å; D370-E372 PolarHBondContact OD1-N 2.98Å; E372-N374 VanDerWaalsContact C-N 3.32Å; E372-N374 WeakPolarHBondContact CB-ND2 3.26Å
373	D	91.5	Very high	93.3	Very high	46 Å²	46	30.9 Å²	30.9	25%	0.246	14%	0.141	C	C	.	.	S	Bend	trans	66.8	25.9	-176.4	-64.5	-26.4	0	0	0	113.7	D370 F371 R459 L461 K473	D370-D373 PolarHBondContact O-N 3.33Å; D370-D373 PolarHBondContact OD1-N 3.47Å; F371-D373 VanDerWaalsContact C-N 3.34Å; D373-R459 IonicContact OD1-NH2 3.99Å; D373-R459 IonicContact OD2-CZ 3.61Å; D373-R459 IonicContact OD2-NH2 2.7Å; D373-R459 PolarHBondContact OD2-NH2 2.99Å; D373-L461 HydrophobicContact CB-CD2 3.93Å; D373-K473 IonicContact OD1-NZ 3.71Å; D373-K473 PolarHBondContact OD1-NZ 2.97Å; D373-K473 IonicContact OD2-NZ 3.92Å
374	N	94.3	Very high	93	Very high	90 Å²	90	30.9 Å²	30.9	48%	0.481	14%	0.141	S	C	.	.	P	Polyproline II helix	trans	-92.5	147.5	168.3	-47.3	-66.1	0	0	0	111.1	I369 D370 E372 A376	I369-N374 CarbonylContact C-O 3.4Å; I369-N374 WeakPolarHBondContact CA-O 3.38Å; I369-N374 VanDerWaalsContact CB-O 3.23Å; I369-N374 WeakPolarHBondContact CB-O 2.9Å; I369-N374 WeakPolarHBondContact CG2-O 3.24Å; D370-N374 PolarHBondContact N-O 3.22Å; D370-N374 PolarHBondContact OD1-N 2.71Å; D370-N374 PolarHBondContact OD1-ND2 2.82Å; D370-N374 WeakPolarHBondContact OD2-CB 3.31Å; D370-N374 PolarHBondContact OD2-ND2 2.73Å; E372-N374 VanDerWaalsContact C-N 3.32Å; E372-N374 WeakPolarHBondContact CB-ND2 3.26Å; N374-A376 PolarHBondContact O-N 2.69Å
375	I	95.6	Very high	92.3	Very high	24 Å²	24	30.8 Å²	30.8	12%	0.123	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-60.5	126.1	170.8	-57.4	-62.2	0	0	0	109.1	I369 V400 L461 V464 E468 Q469	I369-I375 HydrophobicContact CG2-CD1 3.81Å; I375-V400 HydrophobicContact CD1-CG1 4.11Å; I375-V400 HydrophobicContact CD1-CG2 4.42Å; I375-L461 HydrophobicContact CD1-CD1 3.93Å; I375-V464 HydrophobicContact CD1-CG1 4.04Å; I375-V464 HydrophobicContact CG1-CG1 3.65Å; I375-V464 HydrophobicContact CG1-CG2 4.23Å; I375-E468 HydrophobicContact CG1-CB 4.32Å; I375-Q469 HydrophobicContact CD1-CB 4.11Å
376	A	94.1	Very high	91.6	Very high	7 Å²	7	35.3 Å²	35.3	6%	0.058	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-64.5	138.8	178	0	0	0	0	0	110	G368 N374 F378 S379 R381	G368-A376 VanDerWaalsContact O-CB 3.29Å; G368-A376 WeakPolarHBondContact O-CB 3.38Å; G368-A376 PolarHBondContact O-N 3.17Å; N374-A376 PolarHBondContact O-N 2.69Å; A376-F378 VanDerWaalsContact C-N 3.27Å; A376-F378 HydrophobicContact CB-CD1 4.16Å; A376-F378 HydrophobicContact CB-CD2 4.29Å; A376-F378 HydrophobicContact CB-CE1 3.68Å; A376-F378 HydrophobicContact CB-CE2 3.79Å; A376-F378 HydrophobicContact CB-CG 4.44Å; A376-F378 HydrophobicContact CB-CZ 3.47Å; A376-F378 VanDerWaalsContact CB-CZ 3.47Å; A376-F378 PolarHBondContact O-N 2.85Å; A376-S379 VanDerWaalsContact O-CB 3.32Å; A376-S379 WeakPolarHBondContact O-CB 3.36Å; A376-S379 PolarHBondContact O-N 3.17Å; A376-R381 PolarHBondContact O-NH2 3.41Å
377	R	92.2	Very high	90.9	Very high	202 Å²	202	36.6 Å²	36.6	76%	0.762	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-42.3	-175.3	-168.5	174	74.7	152.1	2.2	112.5	G348 P349 S379	G348-R377 CarbonylContact C-O 3.56Å; G348-R377 WeakPolarHBondContact CA-O 3.13Å; P349-R377 HydrophobicContact CB-CG 4.27Å; P349-R377 HydrophobicContact CG-CG 4.08Å; R377-S379 VanDerWaalsContact C-N 3.26Å; R377-S379 PolarHBondContact O-N 3.08Å
378	F	89.9	Confident	90.3	Very high	36 Å²	36	36.6 Å²	36.6	16%	0.158	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-16.9	177.7	59.3	-105.2	0	0	0	113.6	N346 D347 G348 A376 S380 G420 T421	N346-F378 CarbonylContact C-O 3.42Å; N346-F378 WeakPolarHBondContact CA-O 3.49Å; N346-F378 VanDerWaalsContact O-O 3.09Å; N346-F378 WeakPolarHBondContact OD1-CD2 3.37Å; D347-F378 PolarHBondContact N-O 3.39Å; G348-F378 PolarHBondContact N-O 3.42Å; G348-F378 VanDerWaalsContact N-O 3.1Å; A376-F378 VanDerWaalsContact C-N 3.27Å; A376-F378 HydrophobicContact CB-CD1 4.16Å; A376-F378 HydrophobicContact CB-CD2 4.29Å; A376-F378 HydrophobicContact CB-CE1 3.68Å; A376-F378 HydrophobicContact CB-CE2 3.79Å; A376-F378 HydrophobicContact CB-CG 4.44Å; A376-F378 HydrophobicContact CB-CZ 3.47Å; A376-F378 VanDerWaalsContact CB-CZ 3.47Å; A376-F378 PolarHBondContact O-N 2.85Å; F378-S380 PolarHBondContact O-N 2.91Å; F378-S380 VanDerWaalsContact O-N 3.08Å; F378-G420 VanDerWaalsContact CE2-C 3.46Å; F378-G420 VanDerWaalsContact CE2-CA 3.41Å; F378-T421 HydrophobicContact CD2-CG2 4.25Å; F378-T421 HydrophobicContact CE2-CG2 4.14Å
379	S	94.1	Very high	89.4	Confident	0 Å²	0	38 Å²	38	0%	0	17%	0.173	C	C	.	.			trans	-65.7	118	-176.5	-168.9	0	0	0	0	109.9	G368 A376 R377 R381	G368-S379 PolarHBondContact N-OG 3.36Å; A376-S379 VanDerWaalsContact O-CB 3.32Å; A376-S379 WeakPolarHBondContact O-CB 3.36Å; A376-S379 PolarHBondContact O-N 3.17Å; R377-S379 VanDerWaalsContact C-N 3.26Å; R377-S379 PolarHBondContact O-N 3.08Å; S379-R381 PolarHBondContact O-NE 3.01Å; S379-R381 PolarHBondContact O-NH2 3.28Å
380	S	92.4	Very high	88.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.			trans	-57.3	149.2	171.4	-67.1	0	0	0	0	111.3	I344 G345 N346 D347 T353 F378	I344-S380 WeakPolarHBondContact O-CB 3.25Å; G345-S380 VanDerWaalsContact CA-OG 3.32Å; G345-S380 WeakPolarHBondContact CA-OG 3.43Å; G345-S380 PolarHBondContact O-N 3.22Å; G345-S380 PolarHBondContact O-OG 3.48Å; N346-S380 PolarHBondContact N-OG 2.63Å; D347-S380 PolarHBondContact N-OG 2.87Å; D347-S380 VanDerWaalsContact N-OG 3.15Å; T353-S380 WeakPolarHBondContact O-CB 3.31Å; T353-S380 PolarHBondContact O-OG 3.16Å; T353-S380 WeakPolarHBondContact OG1-CA 3.29Å; T353-S380 WeakPolarHBondContact OG1-CB 3.24Å; F378-S380 PolarHBondContact O-N 2.91Å; F378-S380 VanDerWaalsContact O-N 3.08Å
381	R	91.4	Very high	88	Confident	21 Å²	21	39.3 Å²	39.3	8%	0.079	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-156.3	164.8	-171.6	64.5	-168.4	73	-172.2	10.3	111.7	P349 Y351 G352 T353 A376 S379 F467 E468	P349-R381 VanDerWaalsContact O-CD 3.29Å; P349-R381 WeakPolarHBondContact O-CD 3.41Å; Y351-R381 WeakPolarHBondContact CA-O 3.32Å; Y351-R381 HydrophobicContact CD2-CG 3.76Å; Y351-R381 VanDerWaalsContact CE2-CD 3.41Å; Y351-R381 HydrophobicContact CE2-CG 3.78Å; Y351-R381 HydrophobicContact CG-CG 4.22Å; G352-R381 PolarHBondContact N-O 3.27Å; T353-R381 PolarHBondContact N-O 2.92Å; T353-R381 PolarHBondContact OG1-N 3.47Å; T353-R381 PolarHBondContact OG1-O 2.89Å; A376-R381 PolarHBondContact O-NH2 3.41Å; S379-R381 PolarHBondContact O-NE 3.01Å; S379-R381 PolarHBondContact O-NH2 3.28Å; R381-F467 WeakPolarHBondContact CB-O 3.49Å; R381-E468 HydrophobicContact CB-CG 4.25Å; R381-E468 WeakPolarHBondContact CD-OE1 3.16Å; R381-E468 IonicContact CZ-OE1 4Å; R381-E468 IonicContact NH1-OE1 3.47Å; R381-E468 PolarHBondContact NH1-OE1 2.79Å
382	G	89.2	Confident	88	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	118.3	-178.6	-177.6	0	0	0	0	0	112.2	F467	G382-F467 PolarHBondContact N-O 3.42Å
383	M	89.3	Confident	88	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	164.9	173.6	65.9	-164	81.1	0	0	111	L354 T385 L388 Y392 G393 R394 F467 H666	L354-M383 VanDerWaalsContact CD1-O 3.3Å; L354-M383 WeakPolarHBondContact CD1-O 3.38Å; M383-T385 PolarHBondContact O-N 2.69Å; M383-T385 VanDerWaalsContact O-N 3.1Å; M383-L388 HydrophobicContact CG-CD2 3.58Å; M383-L388 HydrophobicContact CG-CG 4.45Å; M383-L388 HydrophobicContact SD-CD2 3.36Å; M383-L388 WeakPolarHBondContact SD-CD2 3.34Å; M383-Y392 HydrophobicContact SD-CD1 4.45Å; M383-G393 PolarHBondContact SD-N 2.85Å; M383-R394 WeakPolarHBondContact CA-O 3.29Å; M383-F467 HydrophobicContact CB-CD1 3.74Å; M383-F467 HydrophobicContact CB-CE1 3.49Å; M383-F467 VanDerWaalsContact CB-CE1 3.49Å; M383-F467 HydrophobicContact CB-CZ 4.29Å; M383-H666 HydrophobicContact CE-CB 3.82Å
384	T	88.5	Confident	88.1	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.148	C	C	.	.			trans	-55	117.4	170.4	41.8	0	0	0	0	110.3	M361 W386 E387 G393 R394 K396	M361-T384 HydrophobicContact CE-CG2 3.38Å; T384-W386 VanDerWaalsContact C-N 3.31Å; T384-W386 PolarHBondContact O-N 3.11Å; T384-E387 WeakPolarHBondContact CB-OE2 3.48Å; T384-E387 PolarHBondContact OG1-OE2 3.31Å; T384-G393 WeakPolarHBondContact O-CA 3.21Å; T384-G393 WeakPolarHBondContact OG1-CA 3.41Å; T384-R394 PolarHBondContact N-O 3.33Å; T384-R394 VanDerWaalsContact N-O 3.08Å; T384-R394 PolarHBondContact OG1-N 2.79Å; T384-K396 HydrophobicContact CG2-CG 4.13Å
385	T	83.2	Confident	88.1	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.006	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-73.8	-26.7	-171.6	47	0	0	0	0	111.9	G352 M383 E387 L388 R640	G352-T385 VanDerWaalsContact CA-CG2 3.46Å; G352-T385 WeakPolarHBondContact O-CG2 3.36Å; M383-T385 PolarHBondContact O-N 2.69Å; M383-T385 VanDerWaalsContact O-N 3.1Å; T385-E387 PolarHBondContact O-N 3.22Å; T385-E387 VanDerWaalsContact O-N 3.13Å; T385-L388 HydrophobicContact CG2-CD1 3.87Å; T385-L388 VanDerWaalsContact O-CB 3.28Å; T385-L388 WeakPolarHBondContact O-CB 3.38Å; T385-L388 VanDerWaalsContact O-CG 3.31Å; T385-L388 WeakPolarHBondContact O-CG 3.49Å; T385-L388 PolarHBondContact O-N 3.14Å; T385-R640 WeakPolarHBondContact O-CD 3.39Å; T385-R640 PolarHBondContact O-NE 2.65Å; T385-R640 VanDerWaalsContact O-NE 3.16Å; T385-R640 VanDerWaalsContact OG1-CZ 3.31Å; T385-R640 PolarHBondContact OG1-NE 2.66Å; T385-R640 PolarHBondContact OG1-NH2 3.14Å
386	W	79.6	Confident	88	Confident	95 Å²	95	25 Å²	25	36%	0.36	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	-67.5	-13.8	-177.6	63.5	-97.5	0	0	0	115.2	T384	T384-W386 VanDerWaalsContact C-N 3.31Å; T384-W386 PolarHBondContact O-N 3.11Å
387	E	83.1	Confident	88.1	Confident	27 Å²	27	24.7 Å²	24.7	13%	0.126	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-96.7	-9.5	176.3	-64	176	111	0	0	112.2	T384 T385 G390 Y392 R394	T384-E387 WeakPolarHBondContact CB-OE2 3.48Å; T384-E387 PolarHBondContact OG1-OE2 3.31Å; T385-E387 PolarHBondContact O-N 3.22Å; T385-E387 VanDerWaalsContact O-N 3.13Å; E387-G390 WeakPolarHBondContact O-CA 3.12Å; E387-G390 PolarHBondContact O-N 3.48Å; E387-Y392 WeakPolarHBondContact CB-O 3.23Å; E387-R394 VanDerWaalsContact CD-NE 3.28Å; E387-R394 IonicContact OE1-CZ 3.95Å; E387-R394 IonicContact OE1-NE 2.63Å; E387-R394 PolarHBondContact OE1-NE 3.07Å; E387-R394 IonicContact OE1-NH2 2.69Å; E387-R394 PolarHBondContact OE1-NH2 2.84Å; E387-R394 IonicContact OE2-CZ 3.53Å; E387-R394 PolarHBondContact OE2-N 2.98Å; E387-R394 IonicContact OE2-NE 3.98Å; E387-R394 PolarHBondContact OE2-NE 2.92Å; E387-R394 IonicContact OE2-NH2 3.44Å
388	L	84	Confident	88.3	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-62	-37.4	-174.6	-66.8	177.3	0	0	0	115	M383 T385 G390 G391 Q635 H664 T667	M383-L388 HydrophobicContact CG-CD2 3.58Å; M383-L388 HydrophobicContact CG-CG 4.45Å; M383-L388 HydrophobicContact SD-CD2 3.36Å; M383-L388 WeakPolarHBondContact SD-CD2 3.34Å; T385-L388 HydrophobicContact CG2-CD1 3.87Å; T385-L388 VanDerWaalsContact O-CB 3.28Å; T385-L388 WeakPolarHBondContact O-CB 3.38Å; T385-L388 VanDerWaalsContact O-CG 3.31Å; T385-L388 WeakPolarHBondContact O-CG 3.49Å; T385-L388 PolarHBondContact O-N 3.14Å; L388-G390 PolarHBondContact O-N 3.18Å; L388-G390 VanDerWaalsContact O-N 3.08Å; L388-G391 WeakPolarHBondContact O-CA 3.44Å; L388-G391 PolarHBondContact O-N 2.79Å; L388-Q635 WeakPolarHBondContact O-CG 3.41Å; L388-H664 HydrophobicContact CD1-CB 3.99Å; L388-H664 HydrophobicContact CD2-CB 4.34Å; L388-T667 HydrophobicContact CD1-CG2 3.86Å
389	P	77	Confident	88.7	Confident	31 Å²	31	13.6 Å²	13.6	20%	0.201	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-60.3	-20	173.4	-26.2	36.5	0	0	0	113.6	R640	P389-R640 HydrophobicContact CG-CB 3.79Å
390	G	76.6	Confident	88.9	Confident	56 Å²	56	13.6 Å²	13.6	58%	0.577	8%	0.076	S	C	*	.	G	3₁₀ helix	trans	-90.2	4.5	172.2	0	0	0	0	0	114.3	E387 L388	E387-G390 WeakPolarHBondContact O-CA 3.12Å; E387-G390 PolarHBondContact O-N 3.48Å; L388-G390 PolarHBondContact O-N 3.18Å; L388-G390 VanDerWaalsContact O-N 3.08Å
391	G	82.7	Confident	89.1	Confident	3 Å²	3	13.6 Å²	13.6	3%	0.031	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	113.5	-43.8	173.2	0	0	0	0	0	114.8	L388 H664	L388-G391 WeakPolarHBondContact O-CA 3.44Å; L388-G391 PolarHBondContact O-N 2.79Å; G391-H664 PolarHBondContact O-NE2 3.04Å
392	Y	88.9	Confident	89.3	Confident	22 Å²	22	13.1 Å²	13.1	9%	0.086	8%	0.075	C	C	.	.			trans	-150.8	149.6	-177.5	-73.4	-87	0	0	0	111.9	M383 E387 Y508 I521 N523 H666 V685	M383-Y392 HydrophobicContact SD-CD1 4.45Å; E387-Y392 WeakPolarHBondContact CB-O 3.23Å; Y392-Y508 AromaticContact CD1-CE1 3.83Å; Y392-Y508 HydrophobicContact CD1-CE1 3.83Å; Y392-Y508 AromaticContact CE1-CE1 3.93Å; Y392-Y508 HydrophobicContact CE1-CE1 3.93Å; Y392-Y508 HydrophobicContact CG-CE1 4.42Å; Y392-I521 HydrophobicContact CD2-CB 3.99Å; Y392-N523 PolarHBondContact O-ND2 2.98Å; Y392-H666 AromaticContact CE1-CD2 3.6Å; Y392-H666 AromaticContact CE1-NE2 3.65Å; Y392-V685 HydrophobicContact CE2-CB 4.29Å; Y392-V685 HydrophobicContact CE2-CG2 4.46Å
393	G	90.4	Very high	89.5	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.075	C	C	.	.			trans	-97.7	174.2	172.4	0	0	0	0	0	114.7	M383 T384	M383-G393 PolarHBondContact SD-N 2.85Å; T384-G393 WeakPolarHBondContact O-CA 3.21Å; T384-G393 WeakPolarHBondContact OG1-CA 3.41Å
394	R	92.8	Very high	89.6	Confident	16 Å²	16	14.9 Å²	14.9	6%	0.06	9%	0.087	C	C	.	.			trans	-91.5	161.6	174.4	-74.4	179.6	-73.4	-178.5	-6.1	112.4	M361 M383 T384 E387 K396 N523 T525	M361-R394 HydrophobicContact CE-CB 3.75Å; M361-R394 HydrophobicContact SD-CB 4.37Å; M383-R394 WeakPolarHBondContact CA-O 3.29Å; T384-R394 PolarHBondContact N-O 3.33Å; T384-R394 VanDerWaalsContact N-O 3.08Å; T384-R394 PolarHBondContact OG1-N 2.79Å; E387-R394 VanDerWaalsContact CD-NE 3.28Å; E387-R394 IonicContact OE1-CZ 3.95Å; E387-R394 IonicContact OE1-NE 2.63Å; E387-R394 PolarHBondContact OE1-NE 3.07Å; E387-R394 IonicContact OE1-NH2 2.69Å; E387-R394 PolarHBondContact OE1-NH2 2.84Å; E387-R394 IonicContact OE2-CZ 3.53Å; E387-R394 PolarHBondContact OE2-N 2.98Å; E387-R394 IonicContact OE2-NE 3.98Å; E387-R394 PolarHBondContact OE2-NE 2.92Å; E387-R394 IonicContact OE2-NH2 3.44Å; R394-K396 PolarHBondContact O-N 2.86Å; R394-N523 HydrophobicContact CG-CB 3.5Å; R394-T525 WeakPolarHBondContact CD-OG1 3.42Å
395	V	94.6	Very high	89.7	Confident	7 Å²	7	15.7 Å²	15.7	4%	0.042	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	124.1	-175.9	179.7	0	0	0	0	111.7	M466 F467	V395-M466 HydrophobicContact CG1-CB 4.37Å; V395-M466 HydrophobicContact CG1-CG 4.41Å; V395-M466 HydrophobicContact CG2-CG 4.22Å; V395-M466 HydrophobicContact CG2-SD 3.76Å; V395-F467 HydrophobicContact CB-CE1 4.34Å; V395-F467 HydrophobicContact CG2-CD1 4.46Å; V395-F467 HydrophobicContact CG2-CE1 3.86Å; V395-F467 HydrophobicContact CG2-CZ 4.17Å
396	K	94	Very high	90	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	158.4	166.3	-79.3	-67.2	-177.4	157.7	0	109.1	I344 L354 A358 Q360 M361 V363 T384 R394 D398 F467	I344-K396 HydrophobicContact CD1-CB 4.22Å; I344-K396 HydrophobicContact CD1-CD 4.48Å; L354-K396 HydrophobicContact CD1-CB 3.57Å; L354-K396 HydrophobicContact CD1-CG 4.31Å; L354-K396 HydrophobicContact CD2-CB 4.4Å; A358-K396 WeakPolarHBondContact O-CE 3.23Å; A358-K396 PolarHBondContact O-NZ 2.98Å; Q360-K396 WeakPolarHBondContact O-CE 2.96Å; Q360-K396 PolarHBondContact O-NZ 3.07Å; M361-K396 HydrophobicContact CE-CG 4.21Å; V363-K396 PolarHBondContact O-NZ 3.12Å; T384-K396 HydrophobicContact CG2-CG 4.13Å; R394-K396 PolarHBondContact O-N 2.86Å; K396-D398 IonicContact NZ-OD1 2.73Å; K396-D398 IonicContact NZ-OD2 3.51Å; K396-D398 PolarHBondContact NZ-OD2 3.19Å; K396-F467 CarbonylContact O-C 3.33Å
397	P	95.8	Very high	90.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.09	C	C	.	.			cis	-59.2	168.8	-11.6	28.1	-35.6	0	0	0	112.3	I344 V400 G470	I344-P397 HydrophobicContact CB-CB 4.25Å; I344-P397 HydrophobicContact CD1-CB 4.22Å; I344-P397 HydrophobicContact CG1-CB 3.95Å; I344-P397 HydrophobicContact CG2-CB 4.5Å; P397-V400 HydrophobicContact CG-CG1 4.14Å; P397-G470 WeakPolarHBondContact O-CA 3.45Å
398	D	97.1	Very high	91	Very high	4 Å²	4	13 Å²	13	2%	0.021	8%	0.084	C	C	.	.	S	Bend	trans	-74.7	-44.7	176.9	-63.6	-67.3	0	0	0	111.1	V363 G365 K396 K451 I455 H471	V363-D398 VanDerWaalsContact O-OD2 3.08Å; G365-D398 PolarHBondContact N-OD2 3.17Å; G365-D398 PolarHBondContact O-N 3.34Å; K396-D398 IonicContact NZ-OD1 2.73Å; K396-D398 IonicContact NZ-OD2 3.51Å; K396-D398 PolarHBondContact NZ-OD2 3.19Å; D398-K451 WeakPolarHBondContact OD1-CE 3.38Å; D398-K451 IonicContact OD1-NZ 3.75Å; D398-K451 PolarHBondContact OD1-NZ 2.66Å; D398-K451 IonicContact OD2-NZ 3.78Å; D398-K451 PolarHBondContact OD2-NZ 3.23Å; D398-I455 HydrophobicContact CB-CG2 4.44Å; D398-H471 PolarHBondContact O-CD2 3.33Å; D398-H471 PolarHBondContact O-N 2.81Å
399	I	97.7	Very high	91.3	Very high	1 Å²	1	13 Å²	13	1%	0.005	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	165.9	177.9	57.9	168.1	0	0	0	110.2	G367 V428 L454 I455 A458 G472 L474	G367-I399 PolarHBondContact N-O 3.02Å; I399-V428 HydrophobicContact CD1-CG1 4.05Å; I399-V428 HydrophobicContact CD1-CG2 3.87Å; I399-L454 HydrophobicContact CD1-CB 4.38Å; I399-L454 HydrophobicContact CD1-CD1 4.41Å; I399-I455 HydrophobicContact CG2-CG2 4.36Å; I399-A458 HydrophobicContact CG2-CB 3.99Å; I399-G472 WeakPolarHBondContact CA-O 3.5Å; I399-L474 HydrophobicContact CD1-CB 4.45Å; I399-L474 HydrophobicContact CD1-CD1 4.24Å
400	V	97.9	Very high	91.9	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	152.2	172.2	-64.6	0	0	0	0	112	G367 I369 I375 P397 L461 Q469 G472 K473 L474	G367-V400 WeakPolarHBondContact O-CA 3.49Å; I369-V400 HydrophobicContact CG2-CB 3.93Å; I369-V400 HydrophobicContact CG2-CG2 3.82Å; I375-V400 HydrophobicContact CD1-CG1 4.11Å; I375-V400 HydrophobicContact CD1-CG2 4.42Å; P397-V400 HydrophobicContact CG-CG1 4.14Å; V400-L461 HydrophobicContact CG2-CD1 3.88Å; V400-Q469 HydrophobicContact CG1-CB 4.5Å; V400-Q469 HydrophobicContact CG2-CB 4.28Å; V400-G472 PolarHBondContact N-O 2.65Å; V400-K473 HydrophobicContact CG2-CB 4.45Å; V400-K473 CarbonylContact O-C 3.56Å; V400-K473 VanDerWaalsContact O-CA 3.25Å; V400-K473 WeakPolarHBondContact O-CA 3.42Å; V400-L474 PolarHBondContact O-N 2.9Å
401	T	96.9	Very high	92.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	176.3	172.3	-164.9	0	0	0	0	111.2	V366 G367 G368 I369 G403 A424 V427 V428	V366-T401 HydrophobicContact CG1-CG2 3.86Å; G367-T401 PolarHBondContact O-N 2.95Å; G368-T401 CarbonylContact C-O 3.5Å; G368-T401 WeakPolarHBondContact CA-O 3.39Å; I369-T401 WeakPolarHBondContact CG1-O 3.47Å; I369-T401 PolarHBondContact N-O 3.26Å; T401-G403 PolarHBondContact O-N 2.7Å; T401-A424 HydrophobicContact CG2-CB 3.83Å; T401-A424 VanDerWaalsContact CG2-O 3.28Å; T401-A424 WeakPolarHBondContact CG2-O 3.42Å; T401-V427 HydrophobicContact CG2-CB 3.85Å; T401-V427 HydrophobicContact CG2-CG1 3.76Å; T401-V427 WeakPolarHBondContact OG1-CG1 3.34Å; T401-V428 HydrophobicContact CG2-CG2 3.74Å
402	Y	95.8	Very high	92.1	Very high	12 Å²	12	22 Å²	22	5%	0.047	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	115.3	-179.4	-62.5	-63.1	0	0	0	111.2	V201 T204 L205 I369 D370 F371 V406 K473	V201-Y402 HydrophobicContact CG1-CD2 3.89Å; V201-Y402 HydrophobicContact CG1-CG 4.43Å; T204-Y402 HydrophobicContact CG2-CE2 3.59Å; T204-Y402 VanDerWaalsContact CG2-OH 3.29Å; T204-Y402 WeakPolarHBondContact CG2-OH 3.33Å; L205-Y402 HydrophobicContact CD1-CD2 4.21Å; L205-Y402 HydrophobicContact CD2-CD2 4.36Å; L205-Y402 HydrophobicContact CD2-CE2 3.98Å; L205-Y402 HydrophobicContact CG-CD2 4.14Å; L205-Y402 HydrophobicContact CG-CE2 4.04Å; I369-Y402 HydrophobicContact CD1-CD1 4.13Å; I369-Y402 HydrophobicContact CD1-CE1 4.14Å; I369-Y402 HydrophobicContact CG1-CD1 4.22Å; D370-Y402 WeakPolarHBondContact O-CD1 3.32Å; D370-Y402 WeakPolarHBondContact O-CE1 3.38Å; F371-Y402 AromaticContact CD1-CD1 3.89Å; F371-Y402 HydrophobicContact CD1-CD1 3.89Å; F371-Y402 AromaticContact CD1-CE1 3.82Å; F371-Y402 HydrophobicContact CD1-CE1 3.82Å; F371-Y402 HydrophobicContact CD1-CG 4.45Å; F371-Y402 HydrophobicContact CE1-CD1 4.15Å; F371-Y402 HydrophobicContact CE1-CE1 4.38Å; F371-Y402 HydrophobicContact CE1-CG 4.26Å; F371-Y402 HydrophobicContact CG-CD1 4.3Å; F371-Y402 HydrophobicContact CG-CE1 4.35Å; Y402-V406 WeakPolarHBondContact O-CG2 3.32Å; Y402-K473 PolarHBondContact OH-NZ 3.44Å
403	G	93.3	Very high	91.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.			trans	-127.4	-9.2	178.5	0	0	0	0	0	113.1	I369 T401 S419 G420	I369-G403 PolarHBondContact O-N 2.72Å; T401-G403 PolarHBondContact O-N 2.7Å; G403-S419 CarbonylContact O-C 3.52Å; G403-S419 WeakPolarHBondContact O-CA 3.42Å; G403-G420 PolarHBondContact O-N 3.33Å
404	S	92.6	Very high	91.6	Very high	38 Å²	38	23.2 Å²	23.2	27%	0.266	13%	0.127	S	C	.	.	S	Bend	trans	-104.1	129.3	175.8	-172	0	0	0	0	111.5	I369 F371 V406	I369-S404 PolarHBondContact O-N 2.85Å; I369-S404 VanDerWaalsContact O-N 3.16Å; F371-S404 WeakPolarHBondContact CE2-O 3.31Å; S404-V406 VanDerWaalsContact C-N 3.32Å; S404-V406 PolarHBondContact O-N 3.46Å
405	G	89.5	Confident	91.4	Very high	16 Å²	16	23.9 Å²	23.9	17%	0.165	13%	0.133	C	C	.	.	S	Bend	trans	64.8	29.7	173.5	0	0	0	0	0	114.9	F371 S417 L418 S419	F371-G405 WeakPolarHBondContact CE2-O 3.04Å; G405-S417 WeakPolarHBondContact CA-OG 3.37Å; G405-S417 PolarHBondContact O-OG 3.21Å; G405-L418 PolarHBondContact N-O 2.79Å; G405-S419 PolarHBondContact N-OG 2.86Å
406	V	90.8	Very high	91.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	135	-178	174	0	0	0	0	110.3	V201 F260 V264 Y402 S404 S417 L418 V423 V427	V201-V406 HydrophobicContact CB-CG1 4.41Å; V201-V406 HydrophobicContact CG2-CB 4.2Å; V201-V406 HydrophobicContact CG2-CG1 3.72Å; V201-V406 HydrophobicContact CG2-CG2 3.92Å; F260-V406 HydrophobicContact CZ-CG1 4.43Å; F260-V406 WeakPolarHBondContact CZ-O 3.19Å; V264-V406 HydrophobicContact CG2-CG1 4.33Å; Y402-V406 WeakPolarHBondContact O-CG2 3.32Å; S404-V406 VanDerWaalsContact C-N 3.32Å; S404-V406 PolarHBondContact O-N 3.46Å; V406-S417 VanDerWaalsContact O-CA 3.28Å; V406-S417 WeakPolarHBondContact O-CA 3.21Å; V406-L418 PolarHBondContact N-O 2.9Å; V406-L418 PolarHBondContact O-N 3.34Å; V406-V423 HydrophobicContact CB-CG1 3.42Å; V406-V423 VanDerWaalsContact CB-CG1 3.42Å; V406-V423 HydrophobicContact CG1-CG1 3.84Å; V406-V423 HydrophobicContact CG2-CG1 3.73Å; V406-V427 HydrophobicContact CG1-CG2 4.49Å
407	R	91.3	Very high	91	Very high	67 Å²	67	27.2 Å²	27.2	25%	0.253	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	126.8	177.8	-62.3	-177.2	73.1	-168.2	3	111.5	Q200 R416	Q200-R407 PolarHBondContact NE2-O 3.21Å; Q200-R407 VanDerWaalsContact NE2-O 3.11Å; R407-R416 CarbonylContact C-O 3.59Å; R407-R416 WeakPolarHBondContact CA-O 3.39Å
408	G	91	Very high	90.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	-179.9	177.9	0	0	0	0	0	111.9	C415 R416	G408-C415 CarbonylContact O-C 3.59Å; G408-C415 WeakPolarHBondContact O-CA 3.46Å; G408-R416 PolarHBondContact N-O 2.83Å; G408-R416 PolarHBondContact O-N 2.95Å
409	S	91.8	Very high	90.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	132.3	-177.8	-61.6	0	0	0	0	112	H235 F260 G263	H235-S409 PolarHBondContact ND1-OG 3.06Å; F260-S409 WeakPolarHBondContact CA-O 3.44Å; G263-S409 WeakPolarHBondContact CA-OG 3.32Å
410	G	88.4	Confident	90	Very high	9 Å²	9	27.4 Å²	27.4	9%	0.093	15%	0.148	C	C	.	.			trans	-86.1	152.6	172.2	0	0	0	0	0	112.3	H233 K412 G413 G414	H233-G410 PolarHBondContact CD2-O 3.21Å; H233-G410 PolarHBondContact NE2-O 3.46Å; G410-K412 VanDerWaalsContact C-N 3.3Å; G410-K412 PolarHBondContact O-N 2.99Å; G410-G413 PolarHBondContact O-N 2.04Å; G410-G413 VanDerWaalsContact O-N 3.09Å; G410-G414 PolarHBondContact N-O 2.84Å
411	M	84.2	Confident	89.6	Confident	71 Å²	71	27.5 Å²	27.5	35%	0.35	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-37.8	-176.5	-172.8	176.5	70	0	0	114.5	D253	D253-M411 VanDerWaalsContact O-SD 3.35Å
412	K	80.4	Confident	89.2	Confident	200 Å²	200	27.6 Å²	27.6	87%	0.87	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	20.9	-179	-63.2	-175.5	178.9	180	0	113	G410	G410-K412 VanDerWaalsContact C-N 3.3Å; G410-K412 PolarHBondContact O-N 2.99Å
413	G	81.5	Confident	89.1	Confident	23 Å²	23	27 Å²	27	24%	0.237	15%	0.147	C	C	.	.	S	Bend	trans	90.8	178.4	-168.6	0	0	0	0	0	112.6	H233 G410	H233-G413 WeakPolarHBondContact NE2-CA 3.38Å; G410-G413 PolarHBondContact O-N 2.04Å; G410-G413 VanDerWaalsContact O-N 3.09Å
414	G	86.9	Confident	89.2	Confident	24 Å²	24	27 Å²	27	25%	0.247	15%	0.147	C	C	.	.	S	Bend	trans	69.2	-168.1	-177.8	0	0	0	0	0	113.7	H235 E270 G410	H235-G414 PolarHBondContact CE1-O 3.39Å; E270-G414 WeakPolarHBondContact OE2-CA 3.45Å; G410-G414 PolarHBondContact N-O 2.84Å
415	C	88.9	Confident	89.3	Confident	30 Å²	30	25.2 Å²	25.2	20%	0.203	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	133.5	-176.3	-76.5	0	0	0	0	112	C271 G408	C271-C415 HydrophobicContact CB-CB 4.35Å; C271-C415 WeakPolarHBondContact CB-SG 3.46Å; C271-C415 PolarHBondContact N-SG 2.97Å; C271-C415 VanDerWaalsContact N-SG 3.36Å; C271-C415 VanDerWaalsContact SG-CA 3.59Å; C271-C415 WeakPolarHBondContact SG-CB 3.45Å; C271-C415 CovalentContact SG-SG 2.01Å; C271-C415 PolarHBondContact SG-SG 3.44Å; G408-C415 CarbonylContact O-C 3.59Å; G408-C415 WeakPolarHBondContact O-CA 3.46Å
416	R	89	Confident	89.7	Confident	68 Å²	68	24.5 Å²	24.5	26%	0.257	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	149.3	171.4	-176	175.5	179.4	-174.7	-2	110.2	Y146 F260 R407 G408 L418	Y146-R416 VanDerWaalsContact CE1-NH2 3.27Å; F260-R416 WeakPolarHBondContact CE2-O 3.4Å; R407-R416 CarbonylContact C-O 3.59Å; R407-R416 WeakPolarHBondContact CA-O 3.39Å; G408-R416 PolarHBondContact N-O 2.83Å; G408-R416 PolarHBondContact O-N 2.95Å; R416-L418 HydrophobicContact CG-CD2 4.46Å
417	S	89.9	Confident	90	Very high	9 Å²	9	24.5 Å²	24.5	6%	0.063	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	129.8	173.3	-170.6	0	0	0	0	110.7	G405 V406	G405-S417 WeakPolarHBondContact CA-OG 3.37Å; G405-S417 PolarHBondContact O-OG 3.21Å; V406-S417 VanDerWaalsContact O-CA 3.28Å; V406-S417 WeakPolarHBondContact O-CA 3.21Å
418	L	89.4	Confident	90.3	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	157.5	174.6	-65.4	-178.7	0	0	0	111.2	L49 Y146 F260 G405 V406 R416 V423	L49-L418 HydrophobicContact CB-CD2 4.01Å; Y146-L418 HydrophobicContact CD1-CD2 3.83Å; Y146-L418 HydrophobicContact CE1-CD1 4.23Å; Y146-L418 HydrophobicContact CE1-CD2 3.7Å; F260-L418 HydrophobicContact CB-CD1 4.2Å; F260-L418 HydrophobicContact CD1-CD1 3.81Å; F260-L418 HydrophobicContact CD2-CD1 3.72Å; F260-L418 HydrophobicContact CD2-CG 3.99Å; F260-L418 HydrophobicContact CE1-CB 4.17Å; F260-L418 HydrophobicContact CE1-CD1 4.09Å; F260-L418 HydrophobicContact CE2-CB 3.91Å; F260-L418 HydrophobicContact CE2-CD1 3.97Å; F260-L418 HydrophobicContact CE2-CG 3.83Å; F260-L418 HydrophobicContact CG-CD1 3.63Å; F260-L418 HydrophobicContact CG-CG 4.39Å; F260-L418 HydrophobicContact CZ-CB 3.74Å; F260-L418 HydrophobicContact CZ-CD1 4.17Å; F260-L418 HydrophobicContact CZ-CG 4.12Å; G405-L418 PolarHBondContact N-O 2.79Å; V406-L418 PolarHBondContact N-O 2.9Å; V406-L418 PolarHBondContact O-N 3.34Å; R416-L418 HydrophobicContact CG-CD2 4.46Å; L418-V423 HydrophobicContact CB-CG2 3.78Å
419	S	90.3	Very high	90.6	Very high	8 Å²	8	21.3 Å²	21.3	6%	0.056	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	134.4	171.5	-50.1	0	0	0	0	110.9	L49 L51 G403 G405	L49-S419 PolarHBondContact O-N 2.77Å; L49-S419 VanDerWaalsContact O-N 3.07Å; L51-S419 VanDerWaalsContact CB-O 3.25Å; L51-S419 WeakPolarHBondContact CB-O 3.2Å; L51-S419 PolarHBondContact N-O 2.9Å; G403-S419 CarbonylContact O-C 3.52Å; G403-S419 WeakPolarHBondContact O-CA 3.42Å; G405-S419 PolarHBondContact N-OG 2.86Å
420	G	90.4	Very high	90.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	163	161.8	177.9	0	0	0	0	0	111.7	F378 G403 S422 V423 A424	F378-G420 VanDerWaalsContact CE2-C 3.46Å; F378-G420 VanDerWaalsContact CE2-CA 3.41Å; G403-G420 PolarHBondContact O-N 3.33Å; G420-S422 PolarHBondContact O-N 2.77Å; G420-V423 WeakPolarHBondContact O-CA 3.45Å; G420-V423 VanDerWaalsContact O-CB 3.24Å; G420-V423 WeakPolarHBondContact O-CB 3.44Å; G420-V423 PolarHBondContact O-N 2.78Å; G420-A424 PolarHBondContact O-N 3.31Å
421	T	89.9	Confident	91.3	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	11%	0.11	C	C	.	.	H	α-helix	trans	-70.1	-25	170.9	55.8	0	0	0	0	111.7	A343 I344 G345 N346 F378 V423 A424 S425	A343-T421 VanDerWaalsContact CB-C 3.41Å; A343-T421 WeakPolarHBondContact CB-O 3.18Å; I344-T421 HydrophobicContact CG2-CG2 4.03Å; G345-T421 VanDerWaalsContact C-OG1 3.26Å; G345-T421 PolarHBondContact N-OG1 3.16Å; G345-T421 WeakPolarHBondContact O-CB 3.24Å; G345-T421 WeakPolarHBondContact O-CG2 3.36Å; G345-T421 PolarHBondContact O-OG1 2.57Å; N346-T421 PolarHBondContact OD1-N 2.78Å; N346-T421 PolarHBondContact OD1-OG1 3.04Å; F378-T421 HydrophobicContact CD2-CG2 4.25Å; F378-T421 HydrophobicContact CE2-CG2 4.14Å; T421-V423 PolarHBondContact O-N 3.29Å; T421-V423 VanDerWaalsContact O-N 3.16Å; T421-A424 PolarHBondContact O-N 3.01Å; T421-A424 VanDerWaalsContact O-N 3.08Å; T421-S425 PolarHBondContact O-N 3.29Å
422	S	88.6	Confident	91.9	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.021	9%	0.094	C	C	.	.	H	α-helix	trans	-59.9	-18.3	165.6	60.8	0	0	0	0	113.2	L51 S315 G420 P426	L51-S422 WeakPolarHBondContact CD2-OG 3.44Å; S315-S422 WeakPolarHBondContact CB-O 3.08Å; S315-S422 VanDerWaalsContact O-CB 3.24Å; S315-S422 WeakPolarHBondContact O-CB 3.3Å; S315-S422 PolarHBondContact OG-O 2.77Å; G420-S422 PolarHBondContact O-N 2.77Å; S422-P426 WeakPolarHBondContact O-CD 3.46Å; S422-P426 WeakPolarHBondContact O-CG 3.4Å
423	V	92.6	Very high	92.7	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-93.9	-31.9	174	179.3	0	0	0	0	111.8	F260 V406 L418 G420 T421 P426 V427	F260-V423 HydrophobicContact CE1-CB 4.13Å; F260-V423 HydrophobicContact CE1-CG1 3.61Å; F260-V423 HydrophobicContact CE1-CG2 3.75Å; F260-V423 HydrophobicContact CZ-CG1 3.74Å; F260-V423 HydrophobicContact CZ-CG2 4.25Å; V406-V423 HydrophobicContact CB-CG1 3.42Å; V406-V423 VanDerWaalsContact CB-CG1 3.42Å; V406-V423 HydrophobicContact CG1-CG1 3.84Å; V406-V423 HydrophobicContact CG2-CG1 3.73Å; L418-V423 HydrophobicContact CB-CG2 3.78Å; G420-V423 WeakPolarHBondContact O-CA 3.45Å; G420-V423 VanDerWaalsContact O-CB 3.24Å; G420-V423 WeakPolarHBondContact O-CB 3.44Å; G420-V423 PolarHBondContact O-N 2.78Å; T421-V423 PolarHBondContact O-N 3.29Å; T421-V423 VanDerWaalsContact O-N 3.16Å; V423-P426 WeakPolarHBondContact O-CD 3.46Å; V423-P426 WeakPolarHBondContact O-CG 3.14Å; V423-V427 WeakPolarHBondContact O-CG2 3.36Å
424	A	95.3	Very high	93.4	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-70.8	-38.9	174.4	0	0	0	0	0	112.5	V366 T401 G420 T421 V427 V428	V366-A424 HydrophobicContact CG1-CB 3.86Å; T401-A424 HydrophobicContact CG2-CB 3.83Å; T401-A424 VanDerWaalsContact CG2-O 3.28Å; T401-A424 WeakPolarHBondContact CG2-O 3.42Å; G420-A424 PolarHBondContact O-N 3.31Å; T421-A424 PolarHBondContact O-N 3.01Å; T421-A424 VanDerWaalsContact O-N 3.08Å; A424-V427 WeakPolarHBondContact O-CB 3.29Å; A424-V427 PolarHBondContact O-N 3.01Å; A424-V427 VanDerWaalsContact O-N 3.16Å; A424-V428 PolarHBondContact O-N 3Å
425	S	96	Very high	93.9	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-53.1	-52.1	177.3	179.9	0	0	0	0	113.5	N313 V341 T421 V427 V428 A429	N313-S425 PolarHBondContact OD1-OG 3.37Å; N313-S425 VanDerWaalsContact OD1-OG 3.13Å; V341-S425 WeakPolarHBondContact CG1-O 3.39Å; V341-S425 PolarHBondContact O-OG 3.13Å; T421-S425 PolarHBondContact O-N 3.29Å; S425-V427 VanDerWaalsContact C-N 3.27Å; S425-V427 PolarHBondContact O-N 3.49Å; S425-V428 PolarHBondContact O-N 2.93Å; S425-A429 PolarHBondContact O-N 2.93Å
426	P	96.4	Very high	94.2	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-69.7	-20	179.1	25.3	-33.8	0	0	0	114.3	V261 V264 I265 N313 S315 S422 V423 G430	V261-P426 HydrophobicContact CG1-CB 3.9Å; V261-P426 HydrophobicContact CG1-CG 4.22Å; V261-P426 HydrophobicContact CG2-CG 4.36Å; V264-P426 HydrophobicContact CB-CB 4.17Å; V264-P426 HydrophobicContact CB-CG 4.38Å; V264-P426 HydrophobicContact CG1-CB 4.14Å; V264-P426 HydrophobicContact CG1-CG 4.35Å; I265-P426 HydrophobicContact CD1-CB 4.12Å; I265-P426 HydrophobicContact CG1-CB 3.91Å; N313-P426 WeakPolarHBondContact OD1-CA 3.4Å; S315-P426 WeakPolarHBondContact OG-CD 3.41Å; S422-P426 WeakPolarHBondContact O-CD 3.46Å; S422-P426 WeakPolarHBondContact O-CG 3.4Å; V423-P426 WeakPolarHBondContact O-CD 3.46Å; V423-P426 WeakPolarHBondContact O-CG 3.14Å; P426-G430 PolarHBondContact O-N 3.38Å
427	V	97.1	Very high	94.4	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-64	-45.7	169.5	170.7	0	0	0	0	109.7	V201 L205 V264 F274 T401 V406 V423 A424 S425 A431	V201-V427 HydrophobicContact CG1-CG1 3.77Å; V201-V427 HydrophobicContact CG1-CG2 3.91Å; L205-V427 HydrophobicContact CD1-CG1 3.66Å; V264-V427 HydrophobicContact CG1-CB 4.39Å; V264-V427 HydrophobicContact CG1-CG2 3.65Å; F274-V427 HydrophobicContact CE2-CB 4.24Å; F274-V427 HydrophobicContact CE2-CG1 3.77Å; F274-V427 HydrophobicContact CE2-CG2 4.4Å; F274-V427 HydrophobicContact CZ-CG1 3.7Å; T401-V427 HydrophobicContact CG2-CB 3.85Å; T401-V427 HydrophobicContact CG2-CG1 3.76Å; T401-V427 WeakPolarHBondContact OG1-CG1 3.34Å; V406-V427 HydrophobicContact CG1-CG2 4.49Å; V423-V427 WeakPolarHBondContact O-CG2 3.36Å; A424-V427 WeakPolarHBondContact O-CB 3.29Å; A424-V427 PolarHBondContact O-N 3.01Å; A424-V427 VanDerWaalsContact O-N 3.16Å; S425-V427 VanDerWaalsContact C-N 3.27Å; S425-V427 PolarHBondContact O-N 3.49Å; V427-A431 WeakPolarHBondContact O-CB 3.47Å; V427-A431 PolarHBondContact O-N 2.8Å
428	V	97.9	Very high	94.4	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-69.5	-42.9	175.2	177.4	0	0	0	0	110.9	V341 I364 V366 I399 T401 A424 S425 G430 A431 V432 L454 L474	V341-V428 HydrophobicContact CG1-CB 3.94Å; V341-V428 HydrophobicContact CG1-CG1 3.93Å; V341-V428 HydrophobicContact CG2-CG1 4.47Å; I364-V428 HydrophobicContact CG2-CG1 4.14Å; V366-V428 HydrophobicContact CB-CG2 4.29Å; V366-V428 HydrophobicContact CG1-CB 4.48Å; V366-V428 HydrophobicContact CG1-CG2 3.57Å; V366-V428 HydrophobicContact CG2-CB 3.85Å; V366-V428 HydrophobicContact CG2-CG1 4.11Å; V366-V428 HydrophobicContact CG2-CG2 3.66Å; I399-V428 HydrophobicContact CD1-CG1 4.05Å; I399-V428 HydrophobicContact CD1-CG2 3.87Å; T401-V428 HydrophobicContact CG2-CG2 3.74Å; A424-V428 PolarHBondContact O-N 3Å; S425-V428 PolarHBondContact O-N 2.93Å; V428-G430 VanDerWaalsContact C-N 3.34Å; V428-G430 PolarHBondContact O-N 3.49Å; V428-A431 WeakPolarHBondContact O-CB 3.36Å; V428-A431 PolarHBondContact O-N 3.37Å; V428-A431 VanDerWaalsContact O-N 3.17Å; V428-V432 HydrophobicContact CG1-CG2 4.09Å; V428-V432 WeakPolarHBondContact O-CB 3.47Å; V428-V432 VanDerWaalsContact O-CG2 3.31Å; V428-V432 WeakPolarHBondContact O-CG2 3.32Å; V428-V432 PolarHBondContact O-N 2.89Å; V428-L454 HydrophobicContact CG1-CD1 4.25Å; V428-L474 HydrophobicContact CG2-CD2 4.34Å
429	A	97.8	Very high	94.3	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-58.9	-45.3	178	0	0	0	0	0	111.7	I265 V311 N313 V341 S425 A431 V432 T433	I265-A429 HydrophobicContact CD1-CB 4.13Å; I265-A429 HydrophobicContact CG1-CB 4.39Å; V311-A429 HydrophobicContact CG1-CB 4.49Å; N313-A429 HydrophobicContact CB-CB 3.74Å; V341-A429 HydrophobicContact CB-CB 4.19Å; V341-A429 HydrophobicContact CG1-CB 4.4Å; V341-A429 HydrophobicContact CG2-CB 4.29Å; S425-A429 PolarHBondContact O-N 2.93Å; A429-A431 PolarHBondContact O-N 2.8Å; A429-V432 PolarHBondContact O-N 3.31Å; A429-T433 PolarHBondContact O-N 3.45Å; A429-T433 PolarHBondContact O-OG1 3.17Å
430	G	97	Very high	93.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.3	-40.6	175	0	0	0	0	0	113.2	F274 P426 V428 T433 L434	F274-G430 WeakPolarHBondContact CB-O 3.43Å; P426-G430 PolarHBondContact O-N 3.38Å; V428-G430 VanDerWaalsContact C-N 3.34Å; V428-G430 PolarHBondContact O-N 3.49Å; G430-T433 PolarHBondContact O-N 2.89Å; G430-L434 WeakPolarHBondContact O-CB 3.43Å; G430-L434 PolarHBondContact O-N 3.35Å
431	A	97.5	Very high	93.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.9	-45.2	173.3	0	0	0	0	0	111.9	F274 V427 V428 A429 L434 L435 L474 L476	F274-A431 HydrophobicContact CD1-CB 4.2Å; F274-A431 HydrophobicContact CE1-CB 4.37Å; V427-A431 WeakPolarHBondContact O-CB 3.47Å; V427-A431 PolarHBondContact O-N 2.8Å; V428-A431 WeakPolarHBondContact O-CB 3.36Å; V428-A431 PolarHBondContact O-N 3.37Å; V428-A431 VanDerWaalsContact O-N 3.17Å; A429-A431 PolarHBondContact O-N 2.8Å; A431-L434 WeakPolarHBondContact O-CB 3.07Å; A431-L434 PolarHBondContact O-N 2.91Å; A431-L435 VanDerWaalsContact O-CG 3.27Å; A431-L435 WeakPolarHBondContact O-CG 3.1Å; A431-L435 PolarHBondContact O-N 3.08Å; A431-L474 HydrophobicContact CB-CD2 3.78Å; A431-L476 HydrophobicContact CB-CD1 3.97Å
432	V	97.6	Very high	92.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.3	-47.4	175.4	168.4	0	0	0	0	110.5	V311 I339 V428 A429 L434 L435 V436 M450 L454	V311-V432 HydrophobicContact CG1-CG1 4.1Å; V311-V432 HydrophobicContact CG2-CG1 3.79Å; I339-V432 HydrophobicContact CB-CG1 4.47Å; I339-V432 HydrophobicContact CD1-CG1 4.16Å; I339-V432 HydrophobicContact CG2-CG1 3.95Å; V428-V432 HydrophobicContact CG1-CG2 4.09Å; V428-V432 WeakPolarHBondContact O-CB 3.47Å; V428-V432 VanDerWaalsContact O-CG2 3.31Å; V428-V432 WeakPolarHBondContact O-CG2 3.32Å; V428-V432 PolarHBondContact O-N 2.89Å; A429-V432 PolarHBondContact O-N 3.31Å; V432-L434 VanDerWaalsContact C-N 3.28Å; V432-L434 PolarHBondContact O-N 2.82Å; V432-L435 PolarHBondContact O-N 3.23Å; V432-L435 VanDerWaalsContact O-N 3.12Å; V432-V436 HydrophobicContact CG1-CG2 4.17Å; V432-V436 VanDerWaalsContact O-CG2 3.29Å; V432-V436 WeakPolarHBondContact O-CG2 3.24Å; V432-V436 PolarHBondContact O-N 3.38Å; V432-M450 HydrophobicContact CG1-CE 4.2Å; V432-M450 HydrophobicContact CG1-CG 3.94Å; V432-M450 HydrophobicContact CG1-SD 4.15Å; V432-M450 HydrophobicContact CG2-CG 4.02Å; V432-M450 HydrophobicContact CG2-SD 4.08Å; V432-L454 HydrophobicContact CG2-CD1 3.85Å
433	T	97.1	Very high	91.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-56.1	-43.7	175.6	-56	0	0	0	0	112	V220 V222 A275 A278 A429 G430 S437	V220-T433 HydrophobicContact CB-CG2 3.93Å; V220-T433 HydrophobicContact CG1-CG2 3.77Å; V222-T433 HydrophobicContact CG2-CG2 3.27Å; V222-T433 WeakPolarHBondContact CG2-OG1 3.05Å; A275-T433 HydrophobicContact CB-CG2 3.47Å; A275-T433 VanDerWaalsContact CB-CG2 3.47Å; A278-T433 HydrophobicContact CB-CG2 3.62Å; A429-T433 PolarHBondContact O-N 3.45Å; A429-T433 PolarHBondContact O-OG1 3.17Å; G430-T433 PolarHBondContact O-N 2.89Å; T433-S437 PolarHBondContact O-N 3.08Å
434	L	96.3	Very high	90.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.1	-44.8	177.1	-176.3	60.3	0	0	0	111.1	A207 L210 Y215 A275 G430 A431 V432 S437 T438 L476	A207-L434 HydrophobicContact CB-CD2 3.89Å; L210-L434 HydrophobicContact CB-CD1 4.48Å; L210-L434 HydrophobicContact CB-CD2 4.1Å; L210-L434 HydrophobicContact CB-CG 4.36Å; L210-L434 HydrophobicContact CD1-CD2 3.8Å; L210-L434 HydrophobicContact CD1-CG 3.93Å; Y215-L434 WeakPolarHBondContact O-CD1 3.36Å; A275-L434 HydrophobicContact CB-CB 4.49Å; G430-L434 WeakPolarHBondContact O-CB 3.43Å; G430-L434 PolarHBondContact O-N 3.35Å; A431-L434 WeakPolarHBondContact O-CB 3.07Å; A431-L434 PolarHBondContact O-N 2.91Å; V432-L434 VanDerWaalsContact C-N 3.28Å; V432-L434 PolarHBondContact O-N 2.82Å; L434-S437 WeakPolarHBondContact O-CB 3.46Å; L434-S437 PolarHBondContact O-N 3.34Å; L434-S437 PolarHBondContact O-OG 3.15Å; L434-T438 WeakPolarHBondContact O-CG2 3.35Å; L434-T438 PolarHBondContact O-N 3.46Å; L434-L476 HydrophobicContact CD2-CD2 4.1Å
435	L	96	Very high	90.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.9	-44.3	177.1	-70.8	172.3	0	0	0	112.6	L210 A431 V432 S437 T438 M450 L454 L476 A479 L483	L210-L435 HydrophobicContact CD1-CD2 4.48Å; A431-L435 VanDerWaalsContact O-CG 3.27Å; A431-L435 WeakPolarHBondContact O-CG 3.1Å; A431-L435 PolarHBondContact O-N 3.08Å; V432-L435 PolarHBondContact O-N 3.23Å; V432-L435 VanDerWaalsContact O-N 3.12Å; L435-S437 PolarHBondContact O-N 3.23Å; L435-T438 WeakPolarHBondContact O-CB 3.38Å; L435-T438 PolarHBondContact O-N 3.03Å; L435-T438 PolarHBondContact O-OG1 3.02Å; L435-M450 HydrophobicContact CB-CE 4.13Å; L435-M450 HydrophobicContact CB-SD 4.44Å; L435-M450 HydrophobicContact CD1-SD 4.16Å; L435-L454 HydrophobicContact CD1-CD2 4.17Å; L435-L476 HydrophobicContact CD1-CD1 4.07Å; L435-L476 HydrophobicContact CD2-CD1 3.84Å; L435-L476 HydrophobicContact CG-CD1 3.75Å; L435-A479 HydrophobicContact CD1-CB 3.7Å; L435-A479 HydrophobicContact CD2-CB 4.26Å; L435-L483 HydrophobicContact CB-CD1 3.77Å; L435-L483 HydrophobicContact CD1-CD1 4.11Å; L435-L483 HydrophobicContact CD2-CD1 4.21Å; L435-L483 HydrophobicContact CG-CD1 4.25Å
436	V	95.1	Very high	90.2	Very high	10 Å²	10	33.8 Å²	33.8	6%	0.061	16%	0.16	C	C	.	.	H	α-helix	trans	-57.4	-37.7	175.2	174	0	0	0	0	110.5	V220 V311 I339 V432 T438 V439 V445 M450	V220-V436 HydrophobicContact CG1-CB 4.21Å; V220-V436 HydrophobicContact CG1-CG1 3.96Å; V220-V436 HydrophobicContact CG2-CB 4.18Å; V220-V436 HydrophobicContact CG2-CG1 3.85Å; V311-V436 HydrophobicContact CG2-CG2 4.27Å; I339-V436 HydrophobicContact CD1-CG2 3.93Å; V432-V436 HydrophobicContact CG1-CG2 4.17Å; V432-V436 VanDerWaalsContact O-CG2 3.29Å; V432-V436 WeakPolarHBondContact O-CG2 3.24Å; V432-V436 PolarHBondContact O-N 3.38Å; V436-T438 PolarHBondContact O-N 3.25Å; V436-V439 PolarHBondContact O-N 3.14Å; V436-V445 HydrophobicContact CG2-CG1 4.31Å; V436-M450 HydrophobicContact CG2-CE 3.72Å
437	S	93.4	Very high	90.1	Very high	21 Å²	21	34 Å²	34	15%	0.147	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-15.4	177.3	79.8	0	0	0	0	114.4	Y215 G217 T433 L434 L435	Y215-S437 WeakPolarHBondContact CD1-O 3.06Å; G217-S437 WeakPolarHBondContact CA-OG 3.26Å; G217-S437 PolarHBondContact N-OG 3.39Å; G217-S437 VanDerWaalsContact N-OG 3.16Å; T433-S437 PolarHBondContact O-N 3.08Å; L434-S437 WeakPolarHBondContact O-CB 3.46Å; L434-S437 PolarHBondContact O-N 3.34Å; L434-S437 PolarHBondContact O-OG 3.15Å; L435-S437 PolarHBondContact O-N 3.23Å
438	T	90.9	Very high	90	Very high	4 Å²	4	34.1 Å²	34.1	3%	0.025	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-23.3	-179.6	71.7	0	0	0	0	113.4	Y215 L434 L435 V436 Y480	Y215-T438 HydrophobicContact CD1-CG2 3.96Å; Y215-T438 HydrophobicContact CD2-CG2 3.75Å; Y215-T438 HydrophobicContact CE1-CG2 4.47Å; Y215-T438 HydrophobicContact CE2-CG2 4.28Å; Y215-T438 HydrophobicContact CG-CG2 3.55Å; L434-T438 WeakPolarHBondContact O-CG2 3.35Å; L434-T438 PolarHBondContact O-N 3.46Å; L435-T438 WeakPolarHBondContact O-CB 3.38Å; L435-T438 PolarHBondContact O-N 3.03Å; L435-T438 PolarHBondContact O-OG1 3.02Å; V436-T438 PolarHBondContact O-N 3.25Å; T438-Y480 HydrophobicContact CG2-CD2 3.81Å; T438-Y480 HydrophobicContact CG2-CE2 4.01Å; T438-Y480 WeakPolarHBondContact OG1-CD2 3.48Å
439	V	87.5	Confident	89.9	Confident	17 Å²	17	34.1 Å²	34.1	10%	0.103	16%	0.162	C	C	.	.			trans	-86.5	123.5	-173	-175	0	0	0	0	110.4	V436 V445 L483	V436-V439 PolarHBondContact O-N 3.14Å; V439-V445 HydrophobicContact CB-CG2 3.82Å; V439-V445 HydrophobicContact CG1-CG2 3.68Å; V439-V445 HydrophobicContact CG2-CG2 3.75Å; V439-L483 HydrophobicContact CG2-CB 4.19Å
440	Q	75.9	Confident	89.8	Confident	179 Å²	179	34.1 Å²	34.1	84%	0.836	16%	0.162	S	C	*	.	S	Bend	trans	-69.7	-39.2	-178.7	-64.2	179.8	8.2	0	0	112.3
441	K	79	Confident	89.8	Confident	154 Å²	154	34.3 Å²	34.3	67%	0.67	16%	0.163	S	C	*	.			trans	-99.2	88.6	177.1	-68.4	-174.1	179.5	-176.2	0	110.5	E443 T444	K441-E443 PolarHBondContact O-N 2.91Å; K441-T444 HydrophobicContact CB-CG2 4.01Å; K441-T444 PolarHBondContact O-N 3.24Å; K441-T444 PolarHBondContact O-OG1 3.1Å
442	R	77.3	Confident	89.7	Confident	107 Å²	107	34.8 Å²	34.8	40%	0.404	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-57.9	-31.1	-178.6	-68.5	-170.5	176.5	-171.1	-0.7	113.9	G219 T444 V445	G219-R442 VanDerWaalsContact C-NH2 3.27Å; G219-R442 VanDerWaalsContact O-CZ 3.24Å; G219-R442 PolarHBondContact O-NH1 3.24Å; G219-R442 PolarHBondContact O-NH2 3.35Å; R442-T444 PolarHBondContact O-N 3.32Å; R442-T444 VanDerWaalsContact O-N 3.14Å; R442-V445 PolarHBondContact O-N 2.77Å
443	E	72.4	Confident	89.6	Confident	148 Å²	148	34.8 Å²	34.8	69%	0.692	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	-60.1	-21.6	176.5	-64.4	168.1	-173.1	0	0	113.3	K441 V445	K441-E443 PolarHBondContact O-N 2.91Å; E443-V445 VanDerWaalsContact C-N 3.33Å
444	T	74.1	Confident	89.5	Confident	45 Å²	45	34.9 Å²	34.9	28%	0.276	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-83.3	-9.2	177.1	60.9	0	0	0	0	113.9	K441 R442	K441-T444 HydrophobicContact CB-CG2 4.01Å; K441-T444 PolarHBondContact O-N 3.24Å; K441-T444 PolarHBondContact O-OG1 3.1Å; R442-T444 PolarHBondContact O-N 3.32Å; R442-T444 VanDerWaalsContact O-N 3.14Å
445	V	86.3	Confident	89.5	Confident	19 Å²	19	35.5 Å²	35.5	12%	0.115	17%	0.169	C	C	.	.			trans	-107.5	102.9	-177.7	-174.8	0	0	0	0	109.6	I339 V436 V439 R442 E443 S449 M450	I339-V445 HydrophobicContact CD1-CG1 4.13Å; V436-V445 HydrophobicContact CG2-CG1 4.31Å; V439-V445 HydrophobicContact CB-CG2 3.82Å; V439-V445 HydrophobicContact CG1-CG2 3.68Å; V439-V445 HydrophobicContact CG2-CG2 3.75Å; R442-V445 PolarHBondContact O-N 2.77Å; E443-V445 VanDerWaalsContact C-N 3.33Å; V445-S449 WeakPolarHBondContact CA-OG 3.15Å; V445-M450 HydrophobicContact CG1-CE 3.72Å
446	N	92	Very high	89.4	Confident	5 Å²	5	38 Å²	38	3%	0.027	19%	0.19	C	C	.	.			trans	-115.4	172.2	172.8	60.6	41.5	0	0	0	111	N337 A448 S449 M450 G529 W566	N337-N446 WeakPolarHBondContact OD1-CB 3.46Å; N446-A448 VanDerWaalsContact C-N 3.33Å; N446-A448 PolarHBondContact O-N 2.99Å; N446-A448 PolarHBondContact OD1-N 2.81Å; N446-S449 PolarHBondContact N-OG 3.26Å; N446-S449 PolarHBondContact O-N 3.12Å; N446-S449 PolarHBondContact O-OG 3.07Å; N446-S449 WeakPolarHBondContact OD1-CB 3.45Å; N446-S449 PolarHBondContact OD1-N 2.81Å; N446-S449 PolarHBondContact OD1-OG 3.14Å; N446-M450 PolarHBondContact O-N 3.25Å; N446-M450 VanDerWaalsContact O-N 3.08Å; N446-G529 PolarHBondContact ND2-O 3.33Å; N446-G529 VanDerWaalsContact ND2-O 3.09Å; N446-W566 HydrophobicContact CB-CE3 4.45Å; N446-W566 HydrophobicContact CB-CH2 3.66Å; N446-W566 HydrophobicContact CB-CZ2 4.19Å; N446-W566 HydrophobicContact CB-CZ3 3.79Å
447	P	95	Very high	89.3	Confident	5 Å²	5	37.6 Å²	37.6	3%	0.032	19%	0.187	C	C	.	.	H	α-helix	trans	-52.9	-43.9	-179.6	-30.3	38.4	0	0	0	114.4	V338 I339 K451 W566	V338-P447 WeakPolarHBondContact O-CG 3.38Å; I339-P447 HydrophobicContact CG1-CG 4.34Å; P447-K451 VanDerWaalsContact O-CB 3.32Å; P447-K451 WeakPolarHBondContact O-CB 3.49Å; P447-K451 PolarHBondContact O-N 3.11Å; P447-W566 HydrophobicContact CB-CG 4.43Å
448	A	94.8	Very high	89.4	Confident	2 Å²	2	36.8 Å²	36.8	2%	0.017	18%	0.182	C	C	.	.	H	α-helix	trans	-64.1	-50.1	177	0	0	0	0	0	112.5	N446 M450 K451 Q452 N528 W566	N446-A448 VanDerWaalsContact C-N 3.33Å; N446-A448 PolarHBondContact O-N 2.99Å; N446-A448 PolarHBondContact OD1-N 2.81Å; A448-M450 VanDerWaalsContact C-N 3.3Å; A448-M450 PolarHBondContact O-N 2.93Å; A448-K451 CarbonylContact O-C 3.54Å; A448-K451 WeakPolarHBondContact O-CB 3.31Å; A448-K451 PolarHBondContact O-N 3.12Å; A448-K451 VanDerWaalsContact O-N 3.13Å; A448-Q452 WeakPolarHBondContact O-CB 3.48Å; A448-Q452 WeakPolarHBondContact O-CG 3.42Å; A448-Q452 PolarHBondContact O-N 3.33Å; A448-N528 WeakPolarHBondContact CB-O 3.49Å; A448-W566 HydrophobicContact CB-CB 3.92Å; A448-W566 HydrophobicContact CB-CD2 4.48Å; A448-W566 HydrophobicContact CB-CE3 4.19Å; A448-W566 HydrophobicContact CB-CG 4.38Å
449	S	94.3	Very high	89.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.2	-40.3	-178.6	66.3	0	0	0	0	112.6	V445 N446 Q452 A453 Y486	V445-S449 WeakPolarHBondContact CA-OG 3.15Å; N446-S449 PolarHBondContact N-OG 3.26Å; N446-S449 PolarHBondContact O-N 3.12Å; N446-S449 PolarHBondContact O-OG 3.07Å; N446-S449 WeakPolarHBondContact OD1-CB 3.45Å; N446-S449 PolarHBondContact OD1-N 2.81Å; N446-S449 PolarHBondContact OD1-OG 3.14Å; S449-Q452 WeakPolarHBondContact O-CB 3.47Å; S449-Q452 PolarHBondContact O-N 3.26Å; S449-A453 WeakPolarHBondContact O-CB 3.41Å; S449-A453 PolarHBondContact O-N 3.49Å; S449-Y486 WeakPolarHBondContact CB-OH 3.4Å
450	M	96.3	Very high	89.8	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.8	-47.3	175.7	-178.2	59.1	62.5	0	0	110.3	I339 I364 V432 L435 V436 V445 N446 A448 Q452 A453 L454 L483	I339-M450 HydrophobicContact CD1-CB 3.94Å; I339-M450 HydrophobicContact CD1-CE 4.32Å; I339-M450 HydrophobicContact CD1-CG 4.13Å; I339-M450 HydrophobicContact CG2-CB 4.4Å; I339-M450 HydrophobicContact CG2-CG 4.16Å; I364-M450 HydrophobicContact CD1-CG 4.32Å; V432-M450 HydrophobicContact CG1-CE 4.2Å; V432-M450 HydrophobicContact CG1-CG 3.94Å; V432-M450 HydrophobicContact CG1-SD 4.15Å; V432-M450 HydrophobicContact CG2-CG 4.02Å; V432-M450 HydrophobicContact CG2-SD 4.08Å; L435-M450 HydrophobicContact CB-CE 4.13Å; L435-M450 HydrophobicContact CB-SD 4.44Å; L435-M450 HydrophobicContact CD1-SD 4.16Å; V436-M450 HydrophobicContact CG2-CE 3.72Å; V445-M450 HydrophobicContact CG1-CE 3.72Å; N446-M450 PolarHBondContact O-N 3.25Å; N446-M450 VanDerWaalsContact O-N 3.08Å; A448-M450 VanDerWaalsContact C-N 3.3Å; A448-M450 PolarHBondContact O-N 2.93Å; M450-Q452 VanDerWaalsContact C-N 3.32Å; M450-Q452 PolarHBondContact O-N 3.47Å; M450-A453 PolarHBondContact O-N 3.36Å; M450-L454 HydrophobicContact CG-CD1 4.21Å; M450-L454 VanDerWaalsContact O-CG 3.3Å; M450-L454 WeakPolarHBondContact O-CG 3.27Å; M450-L454 PolarHBondContact O-N 3.27Å; M450-L454 HydrophobicContact SD-CG 4.35Å; M450-L483 HydrophobicContact CE-CD1 3.71Å; M450-L483 HydrophobicContact CE-CD2 4.42Å; M450-L483 HydrophobicContact SD-CD1 3.94Å
451	K	96.4	Very high	90.7	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.017	16%	0.163	C	C	.	.	H	α-helix	trans	-58.5	-44.4	176.7	-174.6	165.4	-179.9	159.4	0	111.6	M361 V363 I364 D398 P447 A448 A453 L454 I455 L527	M361-K451 PolarHBondContact O-NZ 2.96Å; V363-K451 PolarHBondContact O-NZ 2.63Å; I364-K451 HydrophobicContact CG1-CB 4.18Å; I364-K451 HydrophobicContact CG1-CD 4.34Å; I364-K451 HydrophobicContact CG1-CG 4.28Å; D398-K451 WeakPolarHBondContact OD1-CE 3.38Å; D398-K451 IonicContact OD1-NZ 3.75Å; D398-K451 PolarHBondContact OD1-NZ 2.66Å; D398-K451 IonicContact OD2-NZ 3.78Å; D398-K451 PolarHBondContact OD2-NZ 3.23Å; P447-K451 VanDerWaalsContact O-CB 3.32Å; P447-K451 WeakPolarHBondContact O-CB 3.49Å; P447-K451 PolarHBondContact O-N 3.11Å; A448-K451 CarbonylContact O-C 3.54Å; A448-K451 WeakPolarHBondContact O-CB 3.31Å; A448-K451 PolarHBondContact O-N 3.12Å; A448-K451 VanDerWaalsContact O-N 3.13Å; K451-A453 PolarHBondContact O-N 3.13Å; K451-L454 PolarHBondContact O-N 3.48Å; K451-I455 WeakPolarHBondContact O-CG1 3.37Å; K451-I455 WeakPolarHBondContact O-CG2 3.47Å; K451-I455 PolarHBondContact O-N 2.81Å; K451-L527 HydrophobicContact CD-CD1 4.39Å; K451-L527 HydrophobicContact CD-CD2 4.23Å; K451-L527 HydrophobicContact CG-CD1 4.13Å
452	Q	95.5	Very high	91.3	Very high	11 Å²	11	32.8 Å²	32.8	5%	0.051	17%	0.169	C	C	.	.	H	α-helix	trans	-57.6	-46.6	174.7	-73.7	178.2	-30.2	0	0	112.3	A448 S449 M450 L454 I455 A456 Y486 Q489 S491 L527	A448-Q452 WeakPolarHBondContact O-CB 3.48Å; A448-Q452 WeakPolarHBondContact O-CG 3.42Å; A448-Q452 PolarHBondContact O-N 3.33Å; S449-Q452 WeakPolarHBondContact O-CB 3.47Å; S449-Q452 PolarHBondContact O-N 3.26Å; M450-Q452 VanDerWaalsContact C-N 3.32Å; M450-Q452 PolarHBondContact O-N 3.47Å; Q452-L454 VanDerWaalsContact C-N 3.35Å; Q452-L454 PolarHBondContact O-N 2.89Å; Q452-I455 VanDerWaalsContact O-CG1 3.31Å; Q452-I455 WeakPolarHBondContact O-CG1 3.38Å; Q452-A456 WeakPolarHBondContact O-CB 3.46Å; Q452-A456 PolarHBondContact O-N 3.09Å; Q452-Y486 PolarHBondContact OE1-OH 3.1Å; Q452-Q489 PolarHBondContact NE2-O 3.27Å; Q452-S491 VanDerWaalsContact CG-OG 3.25Å; Q452-S491 WeakPolarHBondContact CG-OG 3.39Å; Q452-S491 PolarHBondContact NE2-OG 3Å; Q452-L527 HydrophobicContact CG-CB 4.03Å; Q452-L527 HydrophobicContact CG-CD1 3.93Å; Q452-L527 PolarHBondContact NE2-O 2.84Å
453	A	95.4	Very high	91.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64	-40.7	178.2	0	0	0	0	0	112	S449 M450 K451 S457 I482 L483	S449-A453 WeakPolarHBondContact O-CB 3.41Å; S449-A453 PolarHBondContact O-N 3.49Å; M450-A453 PolarHBondContact O-N 3.36Å; K451-A453 PolarHBondContact O-N 3.13Å; A453-S457 WeakPolarHBondContact O-CB 3.44Å; A453-S457 PolarHBondContact O-N 3.4Å; A453-S457 PolarHBondContact O-OG 3.23Å; A453-I482 HydrophobicContact CB-CB 4.47Å; A453-I482 HydrophobicContact CB-CG2 4Å; A453-L483 HydrophobicContact CB-CD1 4.31Å; A453-L483 HydrophobicContact CB-CD2 3.61Å; A453-L483 HydrophobicContact CB-CG 3.64Å
454	L	96.8	Very high	92.9	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-66.3	-46.3	178.2	-67.9	175	0	0	0	112.2	I364 I399 V428 V432 L435 M450 K451 Q452 S457 A458 L474 A479	I364-L454 HydrophobicContact CD1-CD1 3.82Å; I364-L454 HydrophobicContact CG2-CD1 4.19Å; I399-L454 HydrophobicContact CD1-CB 4.38Å; I399-L454 HydrophobicContact CD1-CD1 4.41Å; V428-L454 HydrophobicContact CG1-CD1 4.25Å; V432-L454 HydrophobicContact CG2-CD1 3.85Å; L435-L454 HydrophobicContact CD1-CD2 4.17Å; M450-L454 HydrophobicContact CG-CD1 4.21Å; M450-L454 VanDerWaalsContact O-CG 3.3Å; M450-L454 WeakPolarHBondContact O-CG 3.27Å; M450-L454 PolarHBondContact O-N 3.27Å; M450-L454 HydrophobicContact SD-CG 4.35Å; K451-L454 PolarHBondContact O-N 3.48Å; Q452-L454 VanDerWaalsContact C-N 3.35Å; Q452-L454 PolarHBondContact O-N 2.89Å; L454-S457 PolarHBondContact O-N 2.83Å; L454-S457 PolarHBondContact O-OG 2.88Å; L454-S457 VanDerWaalsContact O-OG 3.08Å; L454-A458 WeakPolarHBondContact O-CB 3.29Å; L454-A458 PolarHBondContact O-N 2.89Å; L454-L474 HydrophobicContact CD2-CD1 3.6Å; L454-A479 HydrophobicContact CD2-CB 4.37Å
455	I	95.6	Very high	94	Very high	14 Å²	14	23 Å²	23	7%	0.072	14%	0.144	C	C	.	.	H	α-helix	trans	-69.2	-39.5	179.6	66.7	179.7	0	0	0	111.7	D398 I399 K451 Q452 S457 A458 H471 L527	D398-I455 HydrophobicContact CB-CG2 4.44Å; I399-I455 HydrophobicContact CG2-CG2 4.36Å; K451-I455 WeakPolarHBondContact O-CG1 3.37Å; K451-I455 WeakPolarHBondContact O-CG2 3.47Å; K451-I455 PolarHBondContact O-N 2.81Å; Q452-I455 VanDerWaalsContact O-CG1 3.31Å; Q452-I455 WeakPolarHBondContact O-CG1 3.38Å; I455-S457 VanDerWaalsContact C-N 3.31Å; I455-S457 PolarHBondContact O-N 3.06Å; I455-A458 PolarHBondContact O-N 2.89Å; I455-H471 HydrophobicContact CB-CB 4.04Å; I455-H471 HydrophobicContact CG2-CB 4.44Å; I455-L527 HydrophobicContact CD1-CD1 3.65Å
456	A	93.4	Very high	94.4	Very high	53 Å²	53	22.1 Å²	22.1	44%	0.438	14%	0.139	S	C	.	.	H	α-helix	trans	-72.8	-24.3	-179.3	0	0	0	0	0	113.1	Q452 I482	Q452-A456 WeakPolarHBondContact O-CB 3.46Å; Q452-A456 PolarHBondContact O-N 3.09Å; A456-I482 HydrophobicContact CB-CD1 3.9Å
457	S	93.9	Very high	94.5	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-89.3	-19.3	175.5	56.4	0	0	0	0	113.8	A453 L454 I455 D475 A479	A453-S457 WeakPolarHBondContact O-CB 3.44Å; A453-S457 PolarHBondContact O-N 3.4Å; A453-S457 PolarHBondContact O-OG 3.23Å; L454-S457 PolarHBondContact O-N 2.83Å; L454-S457 PolarHBondContact O-OG 2.88Å; L454-S457 VanDerWaalsContact O-OG 3.08Å; I455-S457 VanDerWaalsContact C-N 3.31Å; I455-S457 PolarHBondContact O-N 3.06Å; S457-D475 WeakPolarHBondContact O-CB 3.41Å; S457-A479 WeakPolarHBondContact OG-CB 3.46Å
458	A	95.1	Very high	94.6	Very high	5 Å²	5	22.9 Å²	22.9	4%	0.041	14%	0.142	C	C	.	.			trans	-57.2	140	-174.1	0	0	0	0	0	113	I399 L454 I455 H471 K473	I399-A458 HydrophobicContact CG2-CB 3.99Å; L454-A458 WeakPolarHBondContact O-CB 3.29Å; L454-A458 PolarHBondContact O-N 2.89Å; I455-A458 PolarHBondContact O-N 2.89Å; A458-H471 HydrophobicContact CB-CB 3.86Å; A458-H471 WeakPolarHBondContact CB-O 3.37Å; A458-K473 CarbonylContact C-O 3.55Å; A458-K473 WeakPolarHBondContact CA-O 3.4Å
459	R	93.9	Very high	94.6	Very high	100 Å²	100	22.8 Å²	22.8	38%	0.377	14%	0.141	S	C	.	.	B	Isolated β-bridge	trans	-98.5	112	-180	-172.2	-173.1	74.2	173.2	6.4	110.2	D373 K473	D373-R459 IonicContact OD1-NH2 3.99Å; D373-R459 IonicContact OD2-CZ 3.61Å; D373-R459 IonicContact OD2-NH2 2.7Å; D373-R459 PolarHBondContact OD2-NH2 2.99Å; R459-K473 PolarHBondContact N-O 2.89Å; R459-K473 PolarHBondContact O-N 2.92Å
460	R	92.9	Very high	94.7	Very high	39 Å²	39	22.8 Å²	22.8	15%	0.147	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-57.6	138.7	177.6	-66.5	-173.4	-177.9	178.1	-2	113.3	Y496 E501 Y504 W955	R460-Y496 PolarHBondContact NH1-OH 3.1Å; R460-Y496 PolarHBondContact NH2-OH 3.47Å; R460-E501 IonicContact NH1-OE1 2.84Å; R460-E501 PolarHBondContact NH1-OE1 2.91Å; R460-E501 IonicContact NH1-OE2 3.19Å; R460-Y504 HydrophobicContact CG-CE2 4.32Å; R460-Y504 PolarHBondContact NE-OH 2.91Å; R460-Y504 PolarHBondContact NH2-OH 2.99Å; R460-W955 HydrophobicContact CB-CZ2 4.37Å; R460-W955 HydrophobicContact CG-CZ2 4.3Å
461	L	93.9	Very high	94.7	Very high	7 Å²	7	23.6 Å²	23.6	4%	0.037	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-86.3	132	170.1	-57.6	-179.9	0	0	0	109.3	I369 D373 I375 V400 V464 Q469 K473	I369-L461 HydrophobicContact CG2-CD1 3.86Å; D373-L461 HydrophobicContact CB-CD2 3.93Å; I375-L461 HydrophobicContact CD1-CD1 3.93Å; V400-L461 HydrophobicContact CG2-CD1 3.88Å; L461-V464 HydrophobicContact CB-CB 4.31Å; L461-V464 HydrophobicContact CB-CG2 4.17Å; L461-Q469 HydrophobicContact CD1-CB 4.46Å; L461-Q469 PolarHBondContact O-NE2 3Å; L461-K473 HydrophobicContact CD2-CB 4.13Å
462	P	91.1	Very high	94.6	Very high	123 Å²	123	23.4 Å²	23.4	80%	0.799	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	139	-179.7	29.5	-34.2	0	0	0	111	V464	P462-V464 VanDerWaalsContact C-N 3.28Å; P462-V464 PolarHBondContact O-N 3.44Å
463	G	90.4	Very high	94.7	Very high	66 Å²	66	23.5 Å²	23.5	68%	0.68	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.1	7.9	173.9	0	0	0	0	0	115.7
464	V	94.6	Very high	94.7	Very high	23 Å²	23	23.7 Å²	23.7	14%	0.139	15%	0.145	C	C	.	.			trans	-113.1	141.6	-179.6	-179.7	0	0	0	0	109.4	I375 L461 P462 E468 Q469	I375-V464 HydrophobicContact CD1-CG1 4.04Å; I375-V464 HydrophobicContact CG1-CG1 3.65Å; I375-V464 HydrophobicContact CG1-CG2 4.23Å; L461-V464 HydrophobicContact CB-CB 4.31Å; L461-V464 HydrophobicContact CB-CG2 4.17Å; P462-V464 VanDerWaalsContact C-N 3.28Å; P462-V464 PolarHBondContact O-N 3.44Å; V464-E468 HydrophobicContact CG1-CB 3.63Å; V464-E468 HydrophobicContact CG1-CG 4.5Å; V464-Q469 HydrophobicContact CG1-CB 3.76Å; V464-Q469 HydrophobicContact CG1-CG 4.06Å; V464-Q469 PolarHBondContact O-NE2 2.91Å
465	N	95.3	Very high	94.7	Very high	6 Å²	6	25.7 Å²	25.7	3%	0.032	16%	0.156	C	C	.	.			trans	-88.7	163.3	-179.8	73.9	67.1	0	0	0	113.1	Y351 F467 E468 Q469 P503 W506	Y351-N465 PolarHBondContact OH-ND2 3.38Å; N465-F467 VanDerWaalsContact C-N 3.26Å; N465-F467 PolarHBondContact O-N 3.08Å; N465-F467 WeakPolarHBondContact OD1-CA 3.09Å; N465-F467 WeakPolarHBondContact OD1-CB 3.44Å; N465-F467 PolarHBondContact OD1-N 2.97Å; N465-E468 PolarHBondContact ND2-OE2 3.05Å; N465-E468 PolarHBondContact O-N 2.73Å; N465-E468 PolarHBondContact OD1-N 2.8Å; N465-Q469 WeakPolarHBondContact O-CG 3.48Å; N465-Q469 PolarHBondContact O-N 3.04Å; N465-Q469 VanDerWaalsContact O-N 3.13Å; N465-P503 WeakPolarHBondContact CB-O 3.23Å; N465-W506 HydrophobicContact CB-CB 4.07Å
466	M	95.6	Very high	94.6	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-63.8	-25.3	-175.5	68.3	-177.8	157.2	0	0	114.4	V395 E468 G470 Y504 M505 Y508	V395-M466 HydrophobicContact CG1-CB 4.37Å; V395-M466 HydrophobicContact CG1-CG 4.41Å; V395-M466 HydrophobicContact CG2-CG 4.22Å; V395-M466 HydrophobicContact CG2-SD 3.76Å; M466-E468 PolarHBondContact O-N 3.1Å; M466-G470 WeakPolarHBondContact O-CA 3.31Å; M466-G470 PolarHBondContact O-N 3.06Å; M466-Y504 HydrophobicContact CB-CD2 4.41Å; M466-Y504 HydrophobicContact CB-CE1 4.3Å; M466-Y504 HydrophobicContact CB-CE2 3.92Å; M466-Y504 WeakPolarHBondContact CG-O 3.18Å; M466-Y504 PolarHBondContact N-O 3.41Å; M466-M505 HydrophobicContact CE-CG 3.94Å; M466-M505 HydrophobicContact CE-SD 3.4Å; M466-M505 WeakPolarHBondContact CE-SD 3.33Å; M466-M505 HydrophobicContact SD-SD 3.64Å; M466-M505 VanDerWaalsContact SD-SD 3.64Å; M466-Y508 HydrophobicContact CE-CD2 3.75Å; M466-Y508 HydrophobicContact CE-CE2 3.72Å
467	F	95.3	Very high	94.7	Very high	1 Å²	1	23 Å²	23	0%	0.004	13%	0.134	C	C	.	.	H	α-helix	trans	-80.7	-1.8	176.2	-63.2	-73.5	0	0	0	113.4	Y351 R381 G382 M383 V395 K396 N465 W506 Y508	Y351-F467 HydrophobicContact CE1-CB 4.41Å; R381-F467 WeakPolarHBondContact CB-O 3.49Å; G382-F467 PolarHBondContact N-O 3.42Å; M383-F467 HydrophobicContact CB-CD1 3.74Å; M383-F467 HydrophobicContact CB-CE1 3.49Å; M383-F467 VanDerWaalsContact CB-CE1 3.49Å; M383-F467 HydrophobicContact CB-CZ 4.29Å; V395-F467 HydrophobicContact CB-CE1 4.34Å; V395-F467 HydrophobicContact CG2-CD1 4.46Å; V395-F467 HydrophobicContact CG2-CE1 3.86Å; V395-F467 HydrophobicContact CG2-CZ 4.17Å; K396-F467 CarbonylContact O-C 3.33Å; N465-F467 VanDerWaalsContact C-N 3.26Å; N465-F467 PolarHBondContact O-N 3.08Å; N465-F467 WeakPolarHBondContact OD1-CA 3.09Å; N465-F467 WeakPolarHBondContact OD1-CB 3.44Å; N465-F467 PolarHBondContact OD1-N 2.97Å; F467-W506 WeakPolarHBondContact CD2-O 3.38Å; F467-W506 WeakPolarHBondContact CE2-O 3.48Å; F467-Y508 HydrophobicContact CE2-CE2 4.18Å; F467-Y508 HydrophobicContact CZ-CE2 4.1Å
468	E	95.8	Very high	94.6	Very high	24 Å²	24	26.5 Å²	26.5	11%	0.112	15%	0.147	C	C	.	.	H	α-helix	trans	-108.6	-41	172.3	-56.9	-173.3	127	0	0	112.1	Y351 I375 R381 V464 N465 M466	Y351-E468 WeakPolarHBondContact OH-CG 3.33Å; Y351-E468 PolarHBondContact OH-OE1 2.94Å; I375-E468 HydrophobicContact CG1-CB 4.32Å; R381-E468 HydrophobicContact CB-CG 4.25Å; R381-E468 WeakPolarHBondContact CD-OE1 3.16Å; R381-E468 IonicContact CZ-OE1 4Å; R381-E468 IonicContact NH1-OE1 3.47Å; R381-E468 PolarHBondContact NH1-OE1 2.79Å; V464-E468 HydrophobicContact CG1-CB 3.63Å; V464-E468 HydrophobicContact CG1-CG 4.5Å; N465-E468 PolarHBondContact ND2-OE2 3.05Å; N465-E468 PolarHBondContact O-N 2.73Å; N465-E468 PolarHBondContact OD1-N 2.8Å; M466-E468 PolarHBondContact O-N 3.1Å
469	Q	95.6	Very high	94.6	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-105.5	-10.1	-175.5	72.1	174.9	-64	0	0	114.8	I375 V400 L461 V464 N465 H471 G472 Y504	I375-Q469 HydrophobicContact CD1-CB 4.11Å; V400-Q469 HydrophobicContact CG1-CB 4.5Å; V400-Q469 HydrophobicContact CG2-CB 4.28Å; L461-Q469 HydrophobicContact CD1-CB 4.46Å; L461-Q469 PolarHBondContact O-NE2 3Å; V464-Q469 HydrophobicContact CG1-CB 3.76Å; V464-Q469 HydrophobicContact CG1-CG 4.06Å; V464-Q469 PolarHBondContact O-NE2 2.91Å; N465-Q469 WeakPolarHBondContact O-CG 3.48Å; N465-Q469 PolarHBondContact O-N 3.04Å; N465-Q469 VanDerWaalsContact O-N 3.13Å; Q469-H471 PolarHBondContact O-N 2.97Å; Q469-G472 WeakPolarHBondContact O-CA 3.38Å; Q469-G472 PolarHBondContact O-N 3.47Å; Q469-Y504 HydrophobicContact CG-CE2 4.48Å
470	G	96.1	Very high	94.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	-125.3	-166.1	0	0	0	0	0	111.8	P397 M466 G472 Y504	P397-G470 WeakPolarHBondContact O-CA 3.45Å; M466-G470 WeakPolarHBondContact O-CA 3.31Å; M466-G470 PolarHBondContact O-N 3.06Å; G470-G472 VanDerWaalsContact C-N 3.29Å; G470-Y504 PolarHBondContact O-OH 2.96Å
471	H	95.4	Very high	94.5	Very high	17 Å²	17	25.2 Å²	25.2	8%	0.079	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-6.9	173.9	-66.8	-91.6	0	0	0	113.5	D398 I455 A458 Q469 S493	D398-H471 PolarHBondContact O-CD2 3.33Å; D398-H471 PolarHBondContact O-N 2.81Å; I455-H471 HydrophobicContact CB-CB 4.04Å; I455-H471 HydrophobicContact CG2-CB 4.44Å; A458-H471 HydrophobicContact CB-CB 3.86Å; A458-H471 WeakPolarHBondContact CB-O 3.37Å; Q469-H471 PolarHBondContact O-N 2.97Å; H471-S493 PolarHBondContact NE2-OG 2.91Å
472	G	95.6	Very high	94.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.154	C	C	.	.			trans	116	-162.4	176.1	0	0	0	0	0	113.3	I399 V400 Q469 G470	I399-G472 WeakPolarHBondContact CA-O 3.5Å; V400-G472 PolarHBondContact N-O 2.65Å; Q469-G472 WeakPolarHBondContact O-CA 3.38Å; Q469-G472 PolarHBondContact O-N 3.47Å; G470-G472 VanDerWaalsContact C-N 3.29Å
473	K	96.7	Very high	94.4	Very high	13 Å²	13	21.5 Å²	21.5	6%	0.057	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-74.2	137.8	-176.8	-178.8	-177.2	174.3	-179	0	112.1	I369 D373 V400 Y402 A458 R459 L461 D475	I369-K473 HydrophobicContact CD1-CB 4.49Å; I369-K473 HydrophobicContact CD1-CD 3.73Å; I369-K473 HydrophobicContact CD1-CG 3.9Å; D373-K473 IonicContact OD1-NZ 3.71Å; D373-K473 PolarHBondContact OD1-NZ 2.97Å; D373-K473 IonicContact OD2-NZ 3.92Å; V400-K473 HydrophobicContact CG2-CB 4.45Å; V400-K473 CarbonylContact O-C 3.56Å; V400-K473 VanDerWaalsContact O-CA 3.25Å; V400-K473 WeakPolarHBondContact O-CA 3.42Å; Y402-K473 PolarHBondContact OH-NZ 3.44Å; A458-K473 CarbonylContact C-O 3.55Å; A458-K473 WeakPolarHBondContact CA-O 3.4Å; R459-K473 PolarHBondContact N-O 2.89Å; R459-K473 PolarHBondContact O-N 2.92Å; L461-K473 HydrophobicContact CD2-CB 4.13Å; K473-D475 PolarHBondContact O-N 3.47Å
474	L	96.6	Very high	94.3	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.021	11%	0.113	C	C	.	.			trans	-49	127.9	172.3	177.3	64.2	0	0	0	112.7	L205 I399 V400 V428 A431 L454	L205-L474 HydrophobicContact CD1-CD2 3.95Å; I399-L474 HydrophobicContact CD1-CB 4.45Å; I399-L474 HydrophobicContact CD1-CD1 4.24Å; V400-L474 PolarHBondContact O-N 2.9Å; V428-L474 HydrophobicContact CG2-CD2 4.34Å; A431-L474 HydrophobicContact CB-CD2 3.78Å; L454-L474 HydrophobicContact CD2-CD1 3.6Å
475	D	95.6	Very high	94	Very high	42 Å²	42	26.7 Å²	26.7	23%	0.225	14%	0.137	C	C	.	.			trans	-120.9	100.8	169.4	-172.1	-34.5	0	0	0	109.7	S457 K473 L477 R478 A479	S457-D475 WeakPolarHBondContact O-CB 3.41Å; K473-D475 PolarHBondContact O-N 3.47Å; D475-L477 PolarHBondContact OD1-N 3.09Å; D475-R478 HydrophobicContact CB-CB 4.17Å; D475-R478 WeakPolarHBondContact OD1-CB 3.49Å; D475-R478 PolarHBondContact OD1-N 3.38Å; D475-A479 WeakPolarHBondContact O-CB 3.4Å; D475-A479 PolarHBondContact O-N 2.61Å
476	L	94.9	Very high	93.7	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-65.4	-42.4	-173	179.2	64.2	0	0	0	112.9	L205 A207 L210 A431 L434 L435 A479 Y480	L205-L476 WeakPolarHBondContact O-CB 3.3Å; L205-L476 WeakPolarHBondContact O-CD2 3.45Å; A207-L476 HydrophobicContact CB-CD2 3.82Å; L210-L476 HydrophobicContact CD1-CD1 4.13Å; L210-L476 HydrophobicContact CD1-CD2 4.03Å; L210-L476 HydrophobicContact CD1-CG 3.89Å; A431-L476 HydrophobicContact CB-CD1 3.97Å; L434-L476 HydrophobicContact CD2-CD2 4.1Å; L435-L476 HydrophobicContact CD1-CD1 4.07Å; L435-L476 HydrophobicContact CD2-CD1 3.84Å; L435-L476 HydrophobicContact CG-CD1 3.75Å; L476-A479 PolarHBondContact O-N 2.73Å; L476-Y480 PolarHBondContact O-N 3.08Å
477	L	94.2	Very high	93.4	Very high	10 Å²	10	35.4 Å²	35.4	5%	0.052	17%	0.174	C	C	.	.	H	α-helix	trans	-72.6	-37.5	-174.7	-63.3	-177.2	0	0	0	111.3	Q206 V209 L210 D475 Y480 Q481 I963	Q206-L477 HydrophobicContact CB-CD1 3.85Å; Q206-L477 HydrophobicContact CB-CD2 4.48Å; Q206-L477 HydrophobicContact CB-CG 4.09Å; Q206-L477 HydrophobicContact CG-CD1 4.39Å; V209-L477 HydrophobicContact CB-CD2 4.01Å; V209-L477 HydrophobicContact CG1-CD2 4.12Å; V209-L477 HydrophobicContact CG2-CD1 4.45Å; L210-L477 HydrophobicContact CD2-CD2 4.3Å; L210-L477 HydrophobicContact CG-CD2 4.2Å; D475-L477 PolarHBondContact OD1-N 3.09Å; L477-Y480 WeakPolarHBondContact O-CB 3.45Å; L477-Y480 PolarHBondContact O-N 3.05Å; L477-Q481 WeakPolarHBondContact O-CG 3.39Å; L477-Q481 PolarHBondContact O-N 3.36Å; L477-Q481 VanDerWaalsContact O-N 3.07Å; L477-I963 HydrophobicContact CB-CD1 4.26Å; L477-I963 HydrophobicContact CD1-CD1 3.5Å
478	R	92.3	Very high	93.1	Very high	72 Å²	72	37.8 Å²	37.8	27%	0.272	19%	0.189	S	C	.	.	H	α-helix	trans	-69.7	-38.8	174.9	-173.1	175.5	179.8	127.4	7.1	111.5	D475 Y480 Q481 I482 Q958	D475-R478 HydrophobicContact CB-CB 4.17Å; D475-R478 WeakPolarHBondContact OD1-CB 3.49Å; D475-R478 PolarHBondContact OD1-N 3.38Å; R478-Y480 VanDerWaalsContact C-N 3.29Å; R478-Y480 PolarHBondContact O-N 2.98Å; R478-Q481 PolarHBondContact O-N 3.36Å; R478-I482 HydrophobicContact CG-CD1 4.36Å; R478-I482 WeakPolarHBondContact O-CG1 3.3Å; R478-I482 PolarHBondContact O-N 2.9Å; R478-Q958 VanDerWaalsContact CZ-NE2 3.29Å; R478-Q958 VanDerWaalsContact CZ-OE1 3.27Å; R478-Q958 VanDerWaalsContact NH1-CG 3.33Å
479	A	94.6	Very high	93	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.3	-43.6	172.7	0	0	0	0	0	111.3	L435 L454 S457 D475 L476 Q481 I482 L483	L435-A479 HydrophobicContact CD1-CB 3.7Å; L435-A479 HydrophobicContact CD2-CB 4.26Å; L454-A479 HydrophobicContact CD2-CB 4.37Å; S457-A479 WeakPolarHBondContact OG-CB 3.46Å; D475-A479 WeakPolarHBondContact O-CB 3.4Å; D475-A479 PolarHBondContact O-N 2.61Å; L476-A479 PolarHBondContact O-N 2.73Å; A479-Q481 PolarHBondContact O-N 3.09Å; A479-I482 PolarHBondContact O-N 2.81Å; A479-L483 WeakPolarHBondContact O-CB 3.48Å; A479-L483 WeakPolarHBondContact O-CG 3.4Å; A479-L483 PolarHBondContact O-N 2.85Å
480	Y	93.9	Very high	92.9	Very high	38 Å²	38	41.4 Å²	41.4	15%	0.149	21%	0.207	C	C	.	.	H	α-helix	trans	-57.9	-46.6	173.9	165.2	-108.5	0	0	0	112.7	L210 M213 Y215 T438 L476 L477 R478 I482 L483 N484	L210-Y480 HydrophobicContact CD2-CD1 3.97Å; L210-Y480 HydrophobicContact CD2-CD2 4.11Å; L210-Y480 HydrophobicContact CD2-CE1 4.34Å; L210-Y480 HydrophobicContact CD2-CE2 4.49Å; L210-Y480 HydrophobicContact CD2-CG 3.83Å; M213-Y480 HydrophobicContact SD-CE1 4.26Å; Y215-Y480 HydrophobicContact CE2-CE2 4.41Å; T438-Y480 HydrophobicContact CG2-CD2 3.81Å; T438-Y480 HydrophobicContact CG2-CE2 4.01Å; T438-Y480 WeakPolarHBondContact OG1-CD2 3.48Å; L476-Y480 PolarHBondContact O-N 3.08Å; L477-Y480 WeakPolarHBondContact O-CB 3.45Å; L477-Y480 PolarHBondContact O-N 3.05Å; R478-Y480 VanDerWaalsContact C-N 3.29Å; R478-Y480 PolarHBondContact O-N 2.98Å; Y480-I482 VanDerWaalsContact C-N 3.34Å; Y480-I482 PolarHBondContact O-N 2.73Å; Y480-L483 PolarHBondContact O-N 3.48Å; Y480-N484 WeakPolarHBondContact O-CB 3.1Å; Y480-N484 PolarHBondContact O-N 2.91Å
481	Q	92.1	Very high	92.9	Very high	80 Å²	80	42.5 Å²	42.5	37%	0.374	22%	0.215	S	C	.	.	H	α-helix	trans	-62.3	-41.1	178.6	-71.2	171.6	-2.3	0	0	112.5	L477 R478 A479 S485	L477-Q481 WeakPolarHBondContact O-CG 3.39Å; L477-Q481 PolarHBondContact O-N 3.36Å; L477-Q481 VanDerWaalsContact O-N 3.07Å; R478-Q481 PolarHBondContact O-N 3.36Å; A479-Q481 PolarHBondContact O-N 3.09Å; Q481-S485 PolarHBondContact O-N 3Å; Q481-S485 PolarHBondContact O-OG 3.14Å
482	I	91.3	Very high	92.9	Very high	43 Å²	43	42.2 Å²	42.2	22%	0.221	21%	0.213	C	C	.	.	H	α-helix	trans	-64.8	-49.2	176.7	-67.1	175.2	0	0	0	109.7	A453 A456 R478 A479 Y480 N484 S485 Y486	A453-I482 HydrophobicContact CB-CB 4.47Å; A453-I482 HydrophobicContact CB-CG2 4Å; A456-I482 HydrophobicContact CB-CD1 3.9Å; R478-I482 HydrophobicContact CG-CD1 4.36Å; R478-I482 WeakPolarHBondContact O-CG1 3.3Å; R478-I482 PolarHBondContact O-N 2.9Å; A479-I482 PolarHBondContact O-N 2.81Å; Y480-I482 VanDerWaalsContact C-N 3.34Å; Y480-I482 PolarHBondContact O-N 2.73Å; I482-N484 VanDerWaalsContact C-N 3.33Å; I482-N484 PolarHBondContact O-N 2.86Å; I482-S485 CarbonylContact O-C 3.39Å; I482-S485 PolarHBondContact O-N 3.44Å; I482-S485 VanDerWaalsContact O-N 3.15Å; I482-S485 PolarHBondContact O-OG 3.23Å; I482-Y486 WeakPolarHBondContact O-CA 3.24Å; I482-Y486 WeakPolarHBondContact O-CB 3.38Å; I482-Y486 PolarHBondContact O-N 3.38Å
483	L	91.2	Very high	92.8	Very high	9 Å²	9	42.4 Å²	42.4	5%	0.047	22%	0.215	C	C	.	.	H	α-helix	trans	-61.7	-38.4	179.9	-73.7	170.8	0	0	0	112.9	L435 V439 M450 A453 A479 Y480 S485 Y486	L435-L483 HydrophobicContact CB-CD1 3.77Å; L435-L483 HydrophobicContact CD1-CD1 4.11Å; L435-L483 HydrophobicContact CD2-CD1 4.21Å; L435-L483 HydrophobicContact CG-CD1 4.25Å; V439-L483 HydrophobicContact CG2-CB 4.19Å; M450-L483 HydrophobicContact CE-CD1 3.71Å; M450-L483 HydrophobicContact CE-CD2 4.42Å; M450-L483 HydrophobicContact SD-CD1 3.94Å; A453-L483 HydrophobicContact CB-CD1 4.31Å; A453-L483 HydrophobicContact CB-CD2 3.61Å; A453-L483 HydrophobicContact CB-CG 3.64Å; A479-L483 WeakPolarHBondContact O-CB 3.48Å; A479-L483 WeakPolarHBondContact O-CG 3.4Å; A479-L483 PolarHBondContact O-N 2.85Å; Y480-L483 PolarHBondContact O-N 3.48Å; L483-S485 PolarHBondContact O-N 2.89Å; L483-Y486 WeakPolarHBondContact O-CB 3.43Å; L483-Y486 PolarHBondContact O-N 3.2Å
484	N	88.5	Confident	92.7	Very high	107 Å²	107	42 Å²	42	57%	0.572	21%	0.214	S	C	*	.	H	α-helix	trans	-67.4	-23.8	178.9	-168.1	50.1	0	0	0	113.3	Y480 I482	Y480-N484 WeakPolarHBondContact O-CB 3.1Å; Y480-N484 PolarHBondContact O-N 2.91Å; I482-N484 VanDerWaalsContact C-N 3.33Å; I482-N484 PolarHBondContact O-N 2.86Å
485	S	88.3	Confident	92.5	Very high	91 Å²	91	45 Å²	45	64%	0.636	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.7	10.3	176.5	57.3	0	0	0	0	113	Q481 I482 L483	Q481-S485 PolarHBondContact O-N 3Å; Q481-S485 PolarHBondContact O-OG 3.14Å; I482-S485 CarbonylContact O-C 3.39Å; I482-S485 PolarHBondContact O-N 3.44Å; I482-S485 VanDerWaalsContact O-N 3.15Å; I482-S485 PolarHBondContact O-OG 3.23Å; L483-S485 PolarHBondContact O-N 2.89Å
486	Y	89.2	Confident	92.5	Very high	28 Å²	28	43.2 Å²	43.2	11%	0.11	23%	0.225	C	C	.	.			trans	-69.3	136.4	-171.9	178.4	-99.8	0	0	0	110.8	S449 Q452 I482 L483 P488 Q489 G529	S449-Y486 WeakPolarHBondContact CB-OH 3.4Å; Q452-Y486 PolarHBondContact OE1-OH 3.1Å; I482-Y486 WeakPolarHBondContact O-CA 3.24Å; I482-Y486 WeakPolarHBondContact O-CB 3.38Å; I482-Y486 PolarHBondContact O-N 3.38Å; L483-Y486 WeakPolarHBondContact O-CB 3.43Å; L483-Y486 PolarHBondContact O-N 3.2Å; Y486-P488 HydrophobicContact CE1-CG 4.44Å; Y486-Q489 HydrophobicContact CE2-CG 4.5Å; Y486-G529 WeakPolarHBondContact OH-CA 3.47Å; Y486-G529 PolarHBondContact OH-O 3.36Å
487	K	88.3	Confident	92.5	Very high	162 Å²	162	43.1 Å²	43.1	70%	0.704	23%	0.225	S	C	*	.			trans	-120.3	134.3	169	-67.5	-175.9	179.2	-178.6	0	107.3	Q489	K487-Q489 WeakPolarHBondContact O-CG 3.48Å; K487-Q489 PolarHBondContact O-N 3.42Å; K487-Q489 VanDerWaalsContact O-N 3.13Å
488	P	90.1	Very high	92.6	Very high	50 Å²	50	43.2 Å²	43.2	33%	0.325	23%	0.225	S	C	.	.			trans	-51	120.5	175.9	-25.8	33.8	0	0	0	110.7	Y486 M530	Y486-P488 HydrophobicContact CE1-CG 4.44Å; P488-M530 HydrophobicContact CB-CB 4.44Å; P488-M530 HydrophobicContact CB-CG 4.1Å
489	Q	92.1	Very high	92.7	Very high	98 Å²	98	40.2 Å²	40.2	46%	0.458	21%	0.214	S	C	.	.			trans	-154.1	161.4	-177.3	66.3	-175.8	-17.6	0	0	111.2	Q452 Y486 K487 G529	Q452-Q489 PolarHBondContact NE2-O 3.27Å; Y486-Q489 HydrophobicContact CE2-CG 4.5Å; K487-Q489 WeakPolarHBondContact O-CG 3.48Å; K487-Q489 PolarHBondContact O-N 3.42Å; K487-Q489 VanDerWaalsContact O-N 3.13Å; Q489-G529 WeakPolarHBondContact O-CA 3.4Å; Q489-G529 PolarHBondContact O-N 2.8Å
490	A	94.4	Very high	92.7	Very high	4 Å²	4	42.6 Å²	42.6	3%	0.033	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	151	167.5	0	0	0	0	0	110.7	L527 V595 S611 V613	A490-L527 CarbonylContact C-O 3.56Å; A490-L527 VanDerWaalsContact CA-O 3.26Å; A490-L527 WeakPolarHBondContact CA-O 3.29Å; A490-V595 HydrophobicContact CB-CB 3.93Å; A490-V595 HydrophobicContact CB-CG1 4.48Å; A490-V595 HydrophobicContact CB-CG2 3.9Å; A490-S611 PolarHBondContact N-OG 2.8Å; A490-V613 HydrophobicContact CB-CG2 3.71Å; A490-V613 WeakPolarHBondContact O-CG2 3.32Å
491	S	95.3	Very high	92.6	Very high	23 Å²	23	43 Å²	43	16%	0.161	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	166.6	172.6	74.3	0	0	0	0	111.3	Q452 L527	Q452-S491 VanDerWaalsContact CG-OG 3.25Å; Q452-S491 WeakPolarHBondContact CG-OG 3.39Å; Q452-S491 PolarHBondContact NE2-OG 3Å; S491-L527 PolarHBondContact N-O 2.67Å; S491-L527 PolarHBondContact O-N 3.37Å
492	L	95.6	Very high	92.7	Very high	10 Å²	10	42.9 Å²	42.9	5%	0.052	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	142.3	-178.1	-59.4	174.6	0	0	0	110.9	P494 S495 V524 T525 I526 V613 L615	L492-P494 CarbonylContact C-O 3.58Å; L492-P494 VanDerWaalsContact C-O 3.32Å; L492-P494 CarbonylContact O-C 3.56Å; L492-S495 WeakPolarHBondContact O-CA 3.46Å; L492-S495 PolarHBondContact O-N 3.44Å; L492-V524 HydrophobicContact CB-CG1 3.84Å; L492-V524 HydrophobicContact CD2-CG1 4.13Å; L492-V524 HydrophobicContact CG-CG1 4.45Å; L492-T525 WeakPolarHBondContact CA-O 3.01Å; L492-I526 HydrophobicContact CD2-CB 4.32Å; L492-I526 HydrophobicContact CD2-CG1 3.76Å; L492-I526 HydrophobicContact CD2-CG2 4.41Å; L492-V613 HydrophobicContact CD1-CB 4.33Å; L492-V613 HydrophobicContact CD1-CG1 3.78Å; L492-V613 HydrophobicContact CG-CB 4.41Å; L492-V613 HydrophobicContact CG-CG1 3.8Å; L492-L615 HydrophobicContact CB-CD1 4.27Å; L492-L615 HydrophobicContact CD1-CB 3.6Å; L492-L615 HydrophobicContact CD1-CD1 3.86Å; L492-L615 HydrophobicContact CD1-CD2 4.44Å; L492-L615 HydrophobicContact CD1-CG 4.17Å
493	S	94.6	Very high	92.8	Very high	4 Å²	4	43.8 Å²	43.8	3%	0.028	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	110	176.1	174.4	0	0	0	0	109.7	H471 T525	H471-S493 PolarHBondContact NE2-OG 2.91Å; S493-T525 PolarHBondContact N-O 3.34Å; S493-T525 PolarHBondContact O-N 3.41Å
494	P	94.6	Very high	92.9	Very high	6 Å²	6	44 Å²	44	4%	0.039	25%	0.248	C	C	.	.	S	Bend	cis	-66.6	159.5	-1.5	30.2	-36.4	0	0	0	113.1	L492 Y496	L492-P494 CarbonylContact C-O 3.58Å; L492-P494 VanDerWaalsContact C-O 3.32Å; L492-P494 CarbonylContact O-C 3.56Å; P494-Y496 VanDerWaalsContact C-N 3.31Å; P494-Y496 PolarHBondContact O-N 3.42Å
495	S	92.6	Very high	93.2	Very high	66 Å²	66	39 Å²	39	46%	0.462	22%	0.222	S	C	.	.	S	Bend	trans	-82	-7.6	-177.8	56.5	0	0	0	0	114.4	L492	L492-S495 WeakPolarHBondContact O-CA 3.46Å; L492-S495 PolarHBondContact O-N 3.44Å
496	Y	94.6	Very high	93.5	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.016	20%	0.195	C	C	.	.			trans	-159.1	164.1	173.4	66.9	-87.2	0	0	0	109.4	R460 P494 D498 E501 M505 L954 W955	R460-Y496 PolarHBondContact NH1-OH 3.1Å; R460-Y496 PolarHBondContact NH2-OH 3.47Å; P494-Y496 VanDerWaalsContact C-N 3.31Å; P494-Y496 PolarHBondContact O-N 3.42Å; Y496-D498 HydrophobicContact CD2-CB 3.86Å; Y496-D498 HydrophobicContact CE2-CB 3.72Å; Y496-E501 WeakPolarHBondContact CE2-OE2 3.46Å; Y496-E501 PolarHBondContact OH-OE2 2.77Å; Y496-M505 HydrophobicContact CD2-CE 3.85Å; Y496-M505 HydrophobicContact CE2-CE 3.38Å; Y496-L954 HydrophobicContact CD2-CB 3.92Å; Y496-L954 HydrophobicContact CD2-CD1 4.11Å; Y496-L954 HydrophobicContact CE2-CB 4.38Å; Y496-L954 HydrophobicContact CG-CB 4.06Å; Y496-W955 HydrophobicContact CE1-CB 3.95Å; Y496-W955 HydrophobicContact CE1-CG 4.47Å
497	I	95.6	Very high	93.7	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	110.9	174.8	-60.1	174.9	0	0	0	107.6	L499 V522 V524 I572 I574 L615 P616 V617 K618	I497-L499 HydrophobicContact CG2-CD2 3.62Å; I497-L499 HydrophobicContact CG2-CG 4.23Å; I497-V522 HydrophobicContact CD1-CB 3.86Å; I497-V522 HydrophobicContact CD1-CG1 3.73Å; I497-V522 HydrophobicContact CD1-CG2 4.36Å; I497-V522 HydrophobicContact CG1-CG1 4.07Å; I497-V522 HydrophobicContact CG2-CG2 4.23Å; I497-V524 HydrophobicContact CD1-CG2 4.21Å; I497-I572 HydrophobicContact CD1-CD1 3.79Å; I497-I574 HydrophobicContact CG2-CD1 4.33Å; I497-L615 HydrophobicContact CD1-CD2 3.84Å; I497-L615 HydrophobicContact CG1-CD2 4.29Å; I497-P616 PolarHBondContact N-O 2.75Å; I497-V617 HydrophobicContact CB-CG2 4.42Å; I497-V617 HydrophobicContact CD1-CG2 4.47Å; I497-V617 CarbonylContact O-C 3.54Å; I497-V617 WeakPolarHBondContact O-CA 3.49Å; I497-K618 PolarHBondContact O-N 3.31Å
498	D	95.1	Very high	94	Very high	12 Å²	12	27.4 Å²	27.4	6%	0.064	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	98.3	173.9	-168.4	-15.5	0	0	0	109.6	Y496 T500 E501 M505 K618 L954	Y496-D498 HydrophobicContact CD2-CB 3.86Å; Y496-D498 HydrophobicContact CE2-CB 3.72Å; D498-T500 PolarHBondContact O-N 2.96Å; D498-T500 VanDerWaalsContact O-N 3.1Å; D498-T500 WeakPolarHBondContact OD1-CA 3.37Å; D498-T500 VanDerWaalsContact OD1-CB 3.29Å; D498-T500 WeakPolarHBondContact OD1-CB 3.41Å; D498-T500 PolarHBondContact OD1-N 3.16Å; D498-T500 PolarHBondContact OD1-OG1 3.47Å; D498-T500 PolarHBondContact OD2-OG1 3.46Å; D498-E501 HydrophobicContact CB-CB 4.22Å; D498-E501 PolarHBondContact O-N 3.26Å; D498-M505 HydrophobicContact CB-CE 4.39Å; D498-M505 WeakPolarHBondContact O-CB 3.38Å; D498-M505 WeakPolarHBondContact O-CG 3.38Å; D498-K618 HydrophobicContact CB-CB 4.47Å; D498-K618 IonicContact OD1-NZ 3.98Å; D498-K618 WeakPolarHBondContact OD2-CD 3.28Å; D498-K618 IonicContact OD2-NZ 2.74Å; D498-K618 PolarHBondContact OD2-NZ 3.11Å; D498-L954 HydrophobicContact CB-CD1 4.12Å
499	L	95	Very high	94.2	Very high	8 Å²	8	25.7 Å²	25.7	4%	0.042	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	3.6	178.9	-50.5	-164.3	0	0	0	112.4	I497 M505 Y508 C509 T520 K618 V619	I497-L499 HydrophobicContact CG2-CD2 3.62Å; I497-L499 HydrophobicContact CG2-CG 4.23Å; L499-M505 HydrophobicContact CD2-CG 4.49Å; L499-Y508 VanDerWaalsContact CD2-CB 3.41Å; L499-Y508 HydrophobicContact CD2-CG 4.34Å; L499-C509 VanDerWaalsContact O-CA 3.23Å; L499-C509 WeakPolarHBondContact O-CA 3.46Å; L499-C509 WeakPolarHBondContact O-CB 3.13Å; L499-T520 HydrophobicContact CD1-CG2 4.48Å; L499-K618 PolarHBondContact N-O 3.38Å; L499-V619 HydrophobicContact CD1-CB 4.48Å; L499-V619 HydrophobicContact CD1-CG1 3.93Å; L499-V619 HydrophobicContact CD1-CG2 4.01Å; L499-V619 HydrophobicContact CG-CG2 4.13Å
500	T	93.7	Very high	94.3	Very high	51 Å²	51	22.7 Å²	22.7	31%	0.313	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-9.1	173.7	74.5	0	0	0	0	113	D498 C502 K618 K620	D498-T500 PolarHBondContact O-N 2.96Å; D498-T500 VanDerWaalsContact O-N 3.1Å; D498-T500 WeakPolarHBondContact OD1-CA 3.37Å; D498-T500 VanDerWaalsContact OD1-CB 3.29Å; D498-T500 WeakPolarHBondContact OD1-CB 3.41Å; D498-T500 PolarHBondContact OD1-N 3.16Å; D498-T500 PolarHBondContact OD1-OG1 3.47Å; D498-T500 PolarHBondContact OD2-OG1 3.46Å; T500-C502 PolarHBondContact O-N 3.4Å; T500-K618 HydrophobicContact CG2-CG 4.42Å; T500-K618 VanDerWaalsContact OG1-CE 3.3Å; T500-K618 WeakPolarHBondContact OG1-CE 2.89Å; T500-K618 PolarHBondContact OG1-NZ 2.91Å; T500-K620 HydrophobicContact CG2-CB 4.1Å
501	E	93.3	Very high	94.2	Very high	46 Å²	46	23.6 Å²	23.6	22%	0.215	14%	0.142	C	C	.	.			trans	-92.6	90.1	-176.3	-168.4	-174.7	173.7	0	0	112	R460 Y496 D498 Y504 M505	R460-E501 IonicContact NH1-OE1 2.84Å; R460-E501 PolarHBondContact NH1-OE1 2.91Å; R460-E501 IonicContact NH1-OE2 3.19Å; Y496-E501 WeakPolarHBondContact CE2-OE2 3.46Å; Y496-E501 PolarHBondContact OH-OE2 2.77Å; D498-E501 HydrophobicContact CB-CB 4.22Å; D498-E501 PolarHBondContact O-N 3.26Å; E501-Y504 PolarHBondContact O-N 3.39Å; E501-M505 WeakPolarHBondContact O-CB 3.4Å; E501-M505 PolarHBondContact O-N 2.93Å
502	C	92.8	Very high	94.2	Very high	77 Å²	77	23.8 Å²	23.8	52%	0.52	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	141.5	170.5	-73.5	0	0	0	0	112.5	T500 C509	T500-C502 PolarHBondContact O-N 3.4Å; C502-C509 WeakPolarHBondContact CA-SG 3.49Å; C502-C509 HydrophobicContact CB-CB 4.2Å; C502-C509 WeakPolarHBondContact CB-SG 3.29Å; C502-C509 WeakPolarHBondContact SG-CB 3.43Å; C502-C509 PolarHBondContact SG-O 3.03Å; C502-C509 CovalentContact SG-SG 2.04Å; C502-C509 PolarHBondContact SG-SG 2.72Å
503	P	93.7	Very high	94.2	Very high	63 Å²	63	24 Å²	24	41%	0.409	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	cis	-88.3	-1.8	4.2	35.2	-36	0	0	0	114.3	N465 M505 W506	N465-P503 WeakPolarHBondContact CB-O 3.23Å; P503-M505 VanDerWaalsContact C-N 3.33Å; P503-M505 PolarHBondContact O-N 3.24Å; P503-W506 VanDerWaalsContact O-CB 3.28Å; P503-W506 WeakPolarHBondContact O-CB 2.85Å; P503-W506 PolarHBondContact O-N 3.15Å; P503-W506 VanDerWaalsContact O-N 3.11Å
504	Y	94.6	Very high	94.3	Very high	13 Å²	13	24.1 Å²	24.1	5%	0.051	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-45.4	-169	-174.3	-107.3	0	0	0	113.3	R460 M466 Q469 G470 E501 W506	R460-Y504 HydrophobicContact CG-CE2 4.32Å; R460-Y504 PolarHBondContact NE-OH 2.91Å; R460-Y504 PolarHBondContact NH2-OH 2.99Å; M466-Y504 HydrophobicContact CB-CD2 4.41Å; M466-Y504 HydrophobicContact CB-CE1 4.3Å; M466-Y504 HydrophobicContact CB-CE2 3.92Å; M466-Y504 WeakPolarHBondContact CG-O 3.18Å; M466-Y504 PolarHBondContact N-O 3.41Å; Q469-Y504 HydrophobicContact CG-CE2 4.48Å; G470-Y504 PolarHBondContact O-OH 2.96Å; E501-Y504 PolarHBondContact O-N 3.39Å; Y504-W506 VanDerWaalsContact C-N 3.33Å; Y504-W506 PolarHBondContact O-N 3.36Å
505	M	94.7	Very high	94.3	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	19	-177.1	-145.7	68.1	78.7	0	0	113.5	M466 Y496 D498 L499 E501 P503 Y508 C509	M466-M505 HydrophobicContact CE-CG 3.94Å; M466-M505 HydrophobicContact CE-SD 3.4Å; M466-M505 WeakPolarHBondContact CE-SD 3.33Å; M466-M505 HydrophobicContact SD-SD 3.64Å; M466-M505 VanDerWaalsContact SD-SD 3.64Å; Y496-M505 HydrophobicContact CD2-CE 3.85Å; Y496-M505 HydrophobicContact CE2-CE 3.38Å; D498-M505 HydrophobicContact CB-CE 4.39Å; D498-M505 WeakPolarHBondContact O-CB 3.38Å; D498-M505 WeakPolarHBondContact O-CG 3.38Å; L499-M505 HydrophobicContact CD2-CG 4.49Å; E501-M505 WeakPolarHBondContact O-CB 3.4Å; E501-M505 PolarHBondContact O-N 2.93Å; P503-M505 VanDerWaalsContact C-N 3.33Å; P503-M505 PolarHBondContact O-N 3.24Å; M505-Y508 HydrophobicContact CG-CD2 4.37Å; M505-Y508 WeakPolarHBondContact O-CB 2.77Å; M505-Y508 PolarHBondContact O-N 2.96Å; M505-C509 HydrophobicContact CB-CB 4.19Å; M505-C509 PolarHBondContact O-N 3.04Å
506	W	94.3	Very high	94.3	Very high	23 Å²	23	25.7 Å²	25.7	9%	0.087	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	139.2	172.2	-175.8	91.2	0	0	0	110	Y351 N465 F467 P503 Y504 H666 R670	Y351-W506 HydrophobicContact CD1-CH2 4.37Å; Y351-W506 AromaticContact CD1-CZ3 3.91Å; Y351-W506 HydrophobicContact CD1-CZ3 3.91Å; Y351-W506 HydrophobicContact CE1-CE3 4.16Å; Y351-W506 HydrophobicContact CE1-CH2 4.2Å; Y351-W506 AromaticContact CE1-CZ3 3.47Å; Y351-W506 HydrophobicContact CE1-CZ3 3.47Å; Y351-W506 VanDerWaalsContact CE1-CZ3 3.47Å; N465-W506 HydrophobicContact CB-CB 4.07Å; F467-W506 WeakPolarHBondContact CD2-O 3.38Å; F467-W506 WeakPolarHBondContact CE2-O 3.48Å; P503-W506 VanDerWaalsContact O-CB 3.28Å; P503-W506 WeakPolarHBondContact O-CB 2.85Å; P503-W506 PolarHBondContact O-N 3.15Å; P503-W506 VanDerWaalsContact O-N 3.11Å; Y504-W506 VanDerWaalsContact C-N 3.33Å; Y504-W506 PolarHBondContact O-N 3.36Å; W506-H666 HydrophobicContact CH2-CB 3.99Å; W506-R670 HydrophobicContact CH2-CG 3.78Å; W506-R670 HydrophobicContact CZ2-CG 3.75Å; W506-R670 VanDerWaalsContact CZ2-NE 3.32Å
507	P	93.4	Very high	94.2	Very high	2 Å²	2	26 Å²	26	1%	0.013	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	cis	-83.8	-15.6	6.8	33.3	-33.4	0	0	0	114	C509 S510 H666	P507-C509 PolarHBondContact O-N 2.98Å; P507-S510 VanDerWaalsContact O-CB 3.31Å; P507-S510 WeakPolarHBondContact O-CB 3.45Å; P507-S510 PolarHBondContact O-N 2.63Å; P507-S510 PolarHBondContact O-OG 2.94Å; P507-H666 HydrophobicContact CG-CB 4.45Å; P507-H666 WeakPolarHBondContact CG-CD2 3.37Å
508	Y	94.1	Very high	94.1	Very high	12 Å²	12	28.5 Å²	28.5	5%	0.047	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-24	-170.5	-46.3	-67.2	0	0	0	115.2	Y392 M466 F467 L499 M505 T520 I521 V522	Y392-Y508 AromaticContact CD1-CE1 3.83Å; Y392-Y508 HydrophobicContact CD1-CE1 3.83Å; Y392-Y508 AromaticContact CE1-CE1 3.93Å; Y392-Y508 HydrophobicContact CE1-CE1 3.93Å; Y392-Y508 HydrophobicContact CG-CE1 4.42Å; M466-Y508 HydrophobicContact CE-CD2 3.75Å; M466-Y508 HydrophobicContact CE-CE2 3.72Å; F467-Y508 HydrophobicContact CE2-CE2 4.18Å; F467-Y508 HydrophobicContact CZ-CE2 4.1Å; L499-Y508 VanDerWaalsContact CD2-CB 3.41Å; L499-Y508 HydrophobicContact CD2-CG 4.34Å; M505-Y508 HydrophobicContact CG-CD2 4.37Å; M505-Y508 WeakPolarHBondContact O-CB 2.77Å; M505-Y508 PolarHBondContact O-N 2.96Å; Y508-T520 HydrophobicContact CD1-CG2 3.94Å; Y508-I521 VanDerWaalsContact CE1-O 3.29Å; Y508-I521 WeakPolarHBondContact CE1-O 3.44Å; Y508-V522 HydrophobicContact CD1-CG2 4.01Å; Y508-V522 HydrophobicContact CD2-CG2 4.34Å; Y508-V522 HydrophobicContact CE1-CG2 3.99Å; Y508-V522 HydrophobicContact CE2-CG1 4.15Å; Y508-V522 HydrophobicContact CE2-CG2 4.31Å; Y508-V522 HydrophobicContact CG-CG2 4.17Å
509	C	94.4	Very high	94	Very high	14 Å²	14	29.6 Å²	29.6	10%	0.095	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-10.6	178	77.4	0	0	0	0	114.7	L499 C502 M505 P507 Q511	L499-C509 VanDerWaalsContact O-CA 3.23Å; L499-C509 WeakPolarHBondContact O-CA 3.46Å; L499-C509 WeakPolarHBondContact O-CB 3.13Å; C502-C509 WeakPolarHBondContact CA-SG 3.49Å; C502-C509 HydrophobicContact CB-CB 4.2Å; C502-C509 WeakPolarHBondContact CB-SG 3.29Å; C502-C509 WeakPolarHBondContact SG-CB 3.43Å; C502-C509 PolarHBondContact SG-O 3.03Å; C502-C509 CovalentContact SG-SG 2.04Å; C502-C509 PolarHBondContact SG-SG 2.72Å; M505-C509 HydrophobicContact CB-CB 4.19Å; M505-C509 PolarHBondContact O-N 3.04Å; P507-C509 PolarHBondContact O-N 2.98Å; C509-Q511 PolarHBondContact O-N 3.12Å
510	S	93.6	Very high	93.9	Very high	35 Å²	35	30.1 Å²	30.1	25%	0.245	17%	0.174	C	C	.	.	S	Bend	trans	-69.9	-21.4	-175.2	66.1	0	0	0	0	113.2	P507 Y673 R677	P507-S510 VanDerWaalsContact O-CB 3.31Å; P507-S510 WeakPolarHBondContact O-CB 3.45Å; P507-S510 PolarHBondContact O-N 2.63Å; P507-S510 PolarHBondContact O-OG 2.94Å; S510-Y673 PolarHBondContact OG-OH 3.21Å; S510-R677 PolarHBondContact O-NE 2.55Å; S510-R677 PolarHBondContact O-NH2 3.26Å
511	Q	93.8	Very high	93.9	Very high	24 Å²	24	29.9 Å²	29.9	11%	0.112	17%	0.17	C	C	.	.	S	Bend	trans	-141.2	137.1	-179	75	-175.6	12.3	0	0	112.1	C509 V683	C509-Q511 PolarHBondContact O-N 3.12Å; Q511-V683 PolarHBondContact NE2-O 3.18Å; Q511-V683 PolarHBondContact OE1-O 2.71Å
512	P	94.5	Very high	94	Very high	27 Å²	27	27.8 Å²	27.8	18%	0.175	16%	0.161	C	C	.	.			trans	-73.2	157.2	169.4	32.9	-35	0	0	0	110.7	K620 I622 F682	P512-K620 WeakPolarHBondContact CA-O 2.99Å; P512-K620 HydrophobicContact CB-CB 4.21Å; P512-K620 HydrophobicContact CB-CD 4.25Å; P512-K620 HydrophobicContact CB-CG 4.03Å; P512-K620 WeakPolarHBondContact CB-O 3.16Å; P512-I622 HydrophobicContact CB-CG1 4.14Å; P512-I622 HydrophobicContact CB-CG2 3.77Å; P512-I622 HydrophobicContact CG-CB 4.37Å; P512-I622 HydrophobicContact CG-CD1 3.68Å; P512-I622 HydrophobicContact CG-CG1 3.82Å; P512-I622 HydrophobicContact CG-CG2 3.66Å; P512-F682 HydrophobicContact CG-CE1 4.11Å
513	I	95.8	Very high	94.1	Very high	13 Å²	13	25 Å²	25	7%	0.067	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-91.6	160.7	175.2	67.1	168.1	0	0	0	111.1	T520 I574 V576 V619 K620 I621 I622	I513-T520 WeakPolarHBondContact CG2-OG1 3.39Å; I513-I574 HydrophobicContact CD1-CG2 3.9Å; I513-V576 HydrophobicContact CB-CG2 4.22Å; I513-V576 HydrophobicContact CD1-CG2 3.53Å; I513-V576 HydrophobicContact CG1-CG2 3.58Å; I513-V619 HydrophobicContact CD1-CB 4.46Å; I513-V619 HydrophobicContact CD1-CG1 3.35Å; I513-V619 HydrophobicContact CG1-CG1 3.43Å; I513-V619 VanDerWaalsContact CG1-CG1 3.43Å; I513-V619 HydrophobicContact CG2-CG1 4.41Å; I513-K620 PolarHBondContact N-O 3.02Å; I513-K620 VanDerWaalsContact N-O 3.07Å; I513-I621 HydrophobicContact CD1-CG1 4.49Å; I513-I621 HydrophobicContact CG1-CG1 4.21Å; I513-I621 WeakPolarHBondContact O-CA 3.41Å; I513-I622 PolarHBondContact O-N 3.08Å
514	Y	96.1	Very high	94.2	Very high	8 Å²	8	22 Å²	22	3%	0.031	12%	0.121	C	C	.	.			trans	-151.4	165.3	-179.1	60.4	-91.6	0	0	0	111	I622 T624 P625 R630 F682 E684	Y514-I622 WeakPolarHBondContact CB-O 3.43Å; Y514-T624 HydrophobicContact CD2-CG2 4.25Å; Y514-P625 HydrophobicContact CD1-CG 3.94Å; Y514-P625 HydrophobicContact CD2-CG 4.15Å; Y514-P625 HydrophobicContact CE1-CG 3.78Å; Y514-P625 HydrophobicContact CE2-CG 3.98Å; Y514-P625 HydrophobicContact CG-CG 4.11Å; Y514-R630 WeakPolarHBondContact OH-CD 3.08Å; Y514-R630 WeakPolarHBondContact OH-CG 3.39Å; Y514-F682 HydrophobicContact CD1-CD1 4.26Å; Y514-F682 HydrophobicContact CE1-CB 4.22Å; Y514-F682 AromaticContact CE1-CD1 3.88Å; Y514-F682 HydrophobicContact CE1-CD1 3.88Å; Y514-F682 HydrophobicContact CE1-CG 4.15Å; Y514-E684 VanDerWaalsContact CE1-OE1 3.27Å; Y514-E684 WeakPolarHBondContact CE1-OE1 3.42Å; Y514-E684 PolarHBondContact OH-OE1 3.2Å
515	Y	95.7	Very high	94.3	Very high	83 Å²	83	21.5 Å²	21.5	33%	0.325	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	131.3	179.2	176.8	-105.6	0	0	0	111.9	V576 K578 A581 T624	Y515-V576 WeakPolarHBondContact CD2-O 3.39Å; Y515-K578 HydrophobicContact CD2-CB 4.43Å; Y515-K578 HydrophobicContact CE1-CG 4.4Å; Y515-K578 HydrophobicContact CE2-CB 3.74Å; Y515-K578 HydrophobicContact CE2-CG 4.13Å; Y515-A581 HydrophobicContact CD1-CB 3.59Å; Y515-A581 HydrophobicContact CE1-CB 4.41Å; Y515-A581 HydrophobicContact CG-CB 3.8Å; Y515-T624 WeakPolarHBondContact O-CG2 3.11Å; Y515-T624 PolarHBondContact O-OG1 2.73Å
516	G	91.7	Very high	94.4	Very high	22 Å²	22	21.5 Å²	21.5	23%	0.227	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.4	-3.9	179.1	0	0	0	0	0	115.3
517	G	92.8	Very high	94.5	Very high	10 Å²	10	20.5 Å²	20.5	10%	0.103	12%	0.116	C	C	.	.	S	Bend	trans	-80.2	164.5	168.9	0	0	0	0	0	112.5	E684	G517-E684 WeakPolarHBondContact CA-OE2 3.29Å
518	M	93.3	Very high	94.6	Very high	53 Å²	53	20.4 Å²	20.4	26%	0.261	12%	0.115	S	C	.	.	P	Polyproline II helix	trans	-58.2	137.8	171	-73.6	-59.1	100.6	0	0	110.6	T520 L632 E684 F693 Y698	M518-T520 PolarHBondContact O-N 2.92Å; M518-L632 HydrophobicContact CG-CD1 3.85Å; M518-E684 HydrophobicContact CB-CB 4.12Å; M518-E684 HydrophobicContact CB-CG 4.5Å; M518-E684 WeakPolarHBondContact CB-OE2 3.39Å; M518-E684 HydrophobicContact CG-CB 4.26Å; M518-E684 PolarHBondContact N-OE2 3.37Å; M518-F693 HydrophobicContact CE-CB 4.23Å; M518-Y698 HydrophobicContact CE-CE2 4.03Å; M518-Y698 WeakPolarHBondContact CE-OH 3.02Å; M518-Y698 WeakPolarHBondContact CG-OH 3.45Å; M518-Y698 PolarHBondContact N-OH 3.07Å
519	P	93.3	Very high	94.5	Very high	35 Å²	35	19.9 Å²	19.9	23%	0.227	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-58.4	131.4	176.6	-23.7	34.1	0	0	0	111.4	I521 I574 L938 W940	P519-I521 PolarHBondContact O-N 2.98Å; P519-I574 WeakPolarHBondContact CA-O 3.46Å; P519-L938 HydrophobicContact CB-CD1 4.01Å; P519-L938 HydrophobicContact CG-CD1 3.54Å; P519-W940 HydrophobicContact CG-CH2 4.27Å
520	T	93.4	Very high	94.3	Very high	19 Å²	19	19.6 Å²	19.6	12%	0.117	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	118.1	173.3	-59.2	0	0	0	0	108.8	L499 Y508 I513 M518 V522 I574	L499-T520 HydrophobicContact CD1-CG2 4.48Å; Y508-T520 HydrophobicContact CD1-CG2 3.94Å; I513-T520 WeakPolarHBondContact CG2-OG1 3.39Å; M518-T520 PolarHBondContact O-N 2.92Å; T520-V522 HydrophobicContact CG2-CG2 4.48Å; T520-I574 PolarHBondContact N-O 3.3Å; T520-I574 PolarHBondContact O-N 3.17Å
521	I	93.4	Very high	94.1	Very high	46 Å²	46	18 Å²	18	24%	0.236	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	121.5	-179.2	-55	175.3	0	0	0	109.3	Y392 Y508 P519 A571 I572	Y392-I521 HydrophobicContact CD2-CB 3.99Å; Y508-I521 VanDerWaalsContact CE1-O 3.29Å; Y508-I521 WeakPolarHBondContact CE1-O 3.44Å; P519-I521 PolarHBondContact O-N 2.98Å; I521-A571 HydrophobicContact CG2-CB 4.24Å; I521-I572 WeakPolarHBondContact CA-O 3.47Å
522	V	95	Very high	94.1	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.012	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	116.5	171.9	-175.8	0	0	0	0	108.8	I497 Y508 T520 V524 I572	I497-V522 HydrophobicContact CD1-CB 3.86Å; I497-V522 HydrophobicContact CD1-CG1 3.73Å; I497-V522 HydrophobicContact CD1-CG2 4.36Å; I497-V522 HydrophobicContact CG1-CG1 4.07Å; I497-V522 HydrophobicContact CG2-CG2 4.23Å; Y508-V522 HydrophobicContact CD1-CG2 4.01Å; Y508-V522 HydrophobicContact CD2-CG2 4.34Å; Y508-V522 HydrophobicContact CE1-CG2 3.99Å; Y508-V522 HydrophobicContact CE2-CG1 4.15Å; Y508-V522 HydrophobicContact CE2-CG2 4.31Å; Y508-V522 HydrophobicContact CG-CG2 4.17Å; T520-V522 HydrophobicContact CG2-CG2 4.48Å; V522-V524 HydrophobicContact CG1-CG2 4.39Å; V522-I572 PolarHBondContact N-O 2.68Å; V522-I572 PolarHBondContact O-N 3.25Å
523	N	95.1	Very high	94	Very high	19 Å²	19	20.2 Å²	20.2	10%	0.102	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	119.9	178.4	-71.2	-20.3	0	0	0	110.7	Y392 R394 A571	Y392-N523 PolarHBondContact O-ND2 2.98Å; R394-N523 HydrophobicContact CG-CB 3.5Å; N523-A571 WeakPolarHBondContact OD1-CA 3.43Å; N523-A571 WeakPolarHBondContact OD1-CB 3.27Å
524	V	95.8	Very high	93.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.2	-177.8	-176.9	0	0	0	0	109.2	L492 I497 V522 Y569 L570 I572 L615	L492-V524 HydrophobicContact CB-CG1 3.84Å; L492-V524 HydrophobicContact CD2-CG1 4.13Å; L492-V524 HydrophobicContact CG-CG1 4.45Å; I497-V524 HydrophobicContact CD1-CG2 4.21Å; V522-V524 HydrophobicContact CG1-CG2 4.39Å; V524-Y569 WeakPolarHBondContact O-CA 3.5Å; V524-L570 HydrophobicContact CB-CB 4.34Å; V524-L570 HydrophobicContact CB-CD2 4.38Å; V524-L570 WeakPolarHBondContact CB-O 3.5Å; V524-L570 PolarHBondContact N-O 3.12Å; V524-L570 PolarHBondContact O-N 2.9Å; V524-I572 HydrophobicContact CG2-CD1 4.33Å; V524-L615 HydrophobicContact CG2-CD2 4.11Å
525	T	96.6	Very high	93.8	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.018	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	125.1	171.6	-54.1	0	0	0	0	109.4	M361 R394 L492 S493 L527	M361-T525 HydrophobicContact CB-CG2 4.08Å; M361-T525 HydrophobicContact CG-CG2 4.11Å; M361-T525 HydrophobicContact SD-CG2 3.96Å; M361-T525 PolarHBondContact SD-OG1 2.88Å; R394-T525 WeakPolarHBondContact CD-OG1 3.42Å; L492-T525 WeakPolarHBondContact CA-O 3.01Å; S493-T525 PolarHBondContact N-O 3.34Å; S493-T525 PolarHBondContact O-N 3.41Å; T525-L527 HydrophobicContact CG2-CD2 3.91Å; T525-L527 HydrophobicContact CG2-CG 4.41Å
526	I	96.8	Very high	93.8	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	125.3	168.1	-54.8	171.1	0	0	0	107.1	L492 I536 L563 S567 G568 L570 V595	L492-I526 HydrophobicContact CD2-CB 4.32Å; L492-I526 HydrophobicContact CD2-CG1 3.76Å; L492-I526 HydrophobicContact CD2-CG2 4.41Å; I526-I536 HydrophobicContact CD1-CD1 3.71Å; I526-L563 HydrophobicContact CB-CD2 4.36Å; I526-L563 HydrophobicContact CD1-CD2 4.2Å; I526-L563 HydrophobicContact CG2-CD1 3.79Å; I526-L563 HydrophobicContact CG2-CD2 4.4Å; I526-S567 CarbonylContact O-C 3.58Å; I526-S567 WeakPolarHBondContact O-CA 3.49Å; I526-S567 WeakPolarHBondContact O-CB 3.36Å; I526-G568 PolarHBondContact N-O 3.39Å; I526-G568 PolarHBondContact O-N 2.87Å; I526-L570 HydrophobicContact CD1-CB 4.04Å; I526-L570 HydrophobicContact CG1-CB 4.15Å; I526-V595 HydrophobicContact CG2-CG2 4.11Å
527	L	95.8	Very high	93.7	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.016	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.1	172.4	-61.1	175.8	0	0	0	108.8	K451 Q452 I455 A490 S491 T525	K451-L527 HydrophobicContact CD-CD1 4.39Å; K451-L527 HydrophobicContact CD-CD2 4.23Å; K451-L527 HydrophobicContact CG-CD1 4.13Å; Q452-L527 HydrophobicContact CG-CB 4.03Å; Q452-L527 HydrophobicContact CG-CD1 3.93Å; Q452-L527 PolarHBondContact NE2-O 2.84Å; I455-L527 HydrophobicContact CD1-CD1 3.65Å; A490-L527 CarbonylContact C-O 3.56Å; A490-L527 VanDerWaalsContact CA-O 3.26Å; A490-L527 WeakPolarHBondContact CA-O 3.29Å; S491-L527 PolarHBondContact N-O 2.67Å; S491-L527 PolarHBondContact O-N 3.37Å; T525-L527 HydrophobicContact CG2-CD2 3.91Å; T525-L527 HydrophobicContact CG2-CG 4.41Å
528	N	94.8	Very high	93.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	98.3	177.6	-175.8	21.8	0	0	0	110.5	A448 M530 G531 T533 L563 W566 S597	A448-N528 WeakPolarHBondContact CB-O 3.49Å; N528-M530 VanDerWaalsContact C-N 3.28Å; N528-M530 PolarHBondContact O-N 2.82Å; N528-M530 WeakPolarHBondContact OD1-CB 3.38Å; N528-M530 WeakPolarHBondContact OD1-CE 3.26Å; N528-M530 PolarHBondContact OD1-N 3.35Å; N528-G531 PolarHBondContact ND2-O 3.11Å; N528-T533 PolarHBondContact ND2-O 2.63Å; N528-L563 HydrophobicContact CB-CD1 4.02Å; N528-W566 WeakPolarHBondContact CB-O 3.08Å; N528-W566 PolarHBondContact N-O 3.39Å; N528-S597 PolarHBondContact ND2-OG 3.34Å
529	G	92.1	Very high	93.3	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.			trans	-82.4	0.1	176.5	0	0	0	0	0	114.9	N446 Y486 Q489	N446-G529 PolarHBondContact ND2-O 3.33Å; N446-G529 VanDerWaalsContact ND2-O 3.09Å; Y486-G529 WeakPolarHBondContact OH-CA 3.47Å; Y486-G529 PolarHBondContact OH-O 3.36Å; Q489-G529 WeakPolarHBondContact O-CA 3.4Å; Q489-G529 PolarHBondContact O-N 2.8Å
530	M	91.1	Very high	93.4	Very high	8 Å²	8	32.6 Å²	32.6	4%	0.039	17%	0.165	C	C	.	.	S	Bend	trans	-89.4	-27.5	-175.9	-61.2	178.3	-64.9	0	0	114.1	P488 N528 V595 Q609 S611	P488-M530 HydrophobicContact CB-CB 4.44Å; P488-M530 HydrophobicContact CB-CG 4.1Å; N528-M530 VanDerWaalsContact C-N 3.28Å; N528-M530 PolarHBondContact O-N 2.82Å; N528-M530 WeakPolarHBondContact OD1-CB 3.38Å; N528-M530 WeakPolarHBondContact OD1-CE 3.26Å; N528-M530 PolarHBondContact OD1-N 3.35Å; M530-V595 HydrophobicContact CE-CB 4.2Å; M530-V595 HydrophobicContact CE-CG1 3.92Å; M530-Q609 HydrophobicContact CB-CB 4.4Å; M530-Q609 HydrophobicContact CG-CB 4.42Å; M530-Q609 HydrophobicContact SD-CB 3.82Å; M530-S611 VanDerWaalsContact SD-CB 3.56Å
531	G	89.9	Confident	93.4	Very high	2 Å²	2	34.7 Å²	34.7	2%	0.021	18%	0.176	C	C	.	.			trans	178.9	168.2	-179.2	0	0	0	0	0	112.3	N528 T533 W566 S597	N528-G531 PolarHBondContact ND2-O 3.11Å; G531-T533 VanDerWaalsContact C-N 3.26Å; G531-T533 PolarHBondContact O-N 3.4Å; G531-W566 VanDerWaalsContact O-CE3 3.32Å; G531-W566 WeakPolarHBondContact O-CZ3 3.44Å; G531-S597 WeakPolarHBondContact CA-OG 3.37Å; G531-S597 PolarHBondContact N-OG 2.78Å
532	V	92.3	Very high	93.6	Very high	36 Å²	36	32.6 Å²	32.6	22%	0.218	17%	0.165	C	C	.	.	S	Bend	trans	-60.4	-36.9	-176.2	-175.1	0	0	0	0	111.7	A335 P565 W566	A335-V532 HydrophobicContact CB-CG1 3.87Å; V532-P565 CarbonylContact C-O 3.55Å; V532-P565 VanDerWaalsContact C-O 3.29Å; V532-P565 WeakPolarHBondContact CA-O 3.15Å; V532-P565 HydrophobicContact CG1-CB 4.21Å; V532-P565 VanDerWaalsContact CG1-O 3.23Å; V532-P565 WeakPolarHBondContact CG1-O 3.19Å; V532-P565 CarbonylContact O-C 3.2Å; V532-W566 HydrophobicContact CB-CH2 4.12Å; V532-W566 HydrophobicContact CB-CZ2 4.16Å; V532-W566 HydrophobicContact CB-CZ3 4.46Å; V532-W566 HydrophobicContact CG1-CZ2 4.5Å; V532-W566 HydrophobicContact CG2-CH2 3.38Å; V532-W566 HydrophobicContact CG2-CZ2 3.43Å; V532-W566 VanDerWaalsContact CG2-CZ2 3.43Å; V532-W566 HydrophobicContact CG2-CZ3 4.15Å
533	T	93.7	Very high	93.6	Very high	61 Å²	61	34 Å²	34	37%	0.374	17%	0.172	S	C	.	.			trans	-113.2	138.9	178.4	56.1	0	0	0	0	109.8	N528 G531 L563 S597 P598	N528-T533 PolarHBondContact ND2-O 2.63Å; G531-T533 VanDerWaalsContact C-N 3.26Å; G531-T533 PolarHBondContact O-N 3.4Å; T533-L563 WeakPolarHBondContact CA-O 3.36Å; T533-S597 PolarHBondContact O-OG 3.07Å; T533-P598 VanDerWaalsContact O-CD 3.29Å; T533-P598 WeakPolarHBondContact O-CD 3.38Å
534	G	93.1	Very high	93.6	Very high	5 Å²	5	33.1 Å²	33.1	5%	0.052	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	157.8	172	0	0	0	0	0	110.6	V562 L563 S596	G534-V562 CarbonylContact O-C 3.59Å; G534-V562 WeakPolarHBondContact O-CA 3.31Å; G534-L563 PolarHBondContact N-O 3.19Å; G534-L563 PolarHBondContact O-N 2.61Å; G534-S596 CarbonylContact C-O 3.59Å; G534-S596 VanDerWaalsContact CA-O 3.32Å; G534-S596 WeakPolarHBondContact CA-O 3.24Å
535	R	94.9	Very high	93.6	Very high	125 Å²	125	34 Å²	34	47%	0.472	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	143.6	170.6	67.4	-178	-176	-178.3	2.1	110.2	V537 P561 V595 S596 E608	R535-V537 PolarHBondContact O-N 3.26Å; R535-P561 WeakPolarHBondContact CA-O 3.29Å; R535-V595 WeakPolarHBondContact O-CA 3.48Å; R535-S596 PolarHBondContact N-O 2.91Å; R535-S596 PolarHBondContact O-N 3.09Å; R535-E608 IonicContact CZ-OE1 3.61Å; R535-E608 VanDerWaalsContact CZ-OE1 3.32Å; R535-E608 IonicContact CZ-OE2 3.13Å; R535-E608 IonicContact NE-OE1 2.89Å; R535-E608 IonicContact NE-OE2 3.75Å; R535-E608 IonicContact NH1-OE1 2.8Å; R535-E608 IonicContact NH2-OE1 2.88Å; R535-E608 PolarHBondContact NH2-OE1 2.93Å; R535-E608 IonicContact NH2-OE2 3.03Å; R535-E608 PolarHBondContact NH2-OE2 3.42Å
536	I	94.3	Very high	93.4	Very high	17 Å²	17	37.2 Å²	37.2	9%	0.087	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	116.4	169.3	-64.3	178	0	0	0	106.8	I526 D538 Y559 S560 P561 I593	I526-I536 HydrophobicContact CD1-CD1 3.71Å; I536-D538 WeakPolarHBondContact CG2-O 3.23Å; I536-Y559 HydrophobicContact CB-CD2 4.46Å; I536-Y559 HydrophobicContact CB-CE2 4.36Å; I536-Y559 HydrophobicContact CD1-CD2 3.61Å; I536-Y559 HydrophobicContact CD1-CE2 4.32Å; I536-Y559 HydrophobicContact CD1-CG 4.13Å; I536-Y559 HydrophobicContact CG2-CD2 4.43Å; I536-Y559 HydrophobicContact CG2-CE2 4.12Å; I536-S560 WeakPolarHBondContact CD1-O 3.18Å; I536-P561 PolarHBondContact N-O 3.33Å; I536-I593 HydrophobicContact CG2-CG2 4.4Å
537	V	89.7	Confident	93.2	Very high	67 Å²	67	40.1 Å²	40.1	41%	0.406	21%	0.206	S	C	.	.			trans	-70.4	-52.4	-170.7	179.8	0	0	0	0	111	R535 T594	R535-V537 PolarHBondContact O-N 3.26Å; V537-T594 HydrophobicContact CG2-CG2 4.38Å; V537-T594 PolarHBondContact N-O 3.1Å; V537-T594 VanDerWaalsContact N-O 3.14Å
538	D	88.8	Confident	93.1	Very high	109 Å²	109	42 Å²	42	58%	0.583	22%	0.215	S	C	*	.	S	Bend	trans	-121.2	161	-178.1	-65.7	-54.9	0	0	0	110.2	I536	I536-D538 WeakPolarHBondContact CG2-O 3.23Å
539	K	90.4	Very high	93.1	Very high	156 Å²	156	45.1 Å²	45.1	68%	0.678	23%	0.231	S	C	*	.	P	Polyproline II helix	trans	-58.8	140.8	173.1	-62.4	-167.8	174.2	-176.5	0	109.6	D541	K539-D541 PolarHBondContact O-N 3.14Å
540	P	94.1	Very high	93	Very high	6 Å²	6	45.1 Å²	45.1	4%	0.039	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-54.4	136.1	174.1	-25.8	34.4	0	0	0	111.7	F557 Y559 L570 V591 M592 I593	P540-F557 HydrophobicContact CB-CB 4.49Å; P540-F557 HydrophobicContact CB-CD1 4.17Å; P540-F557 HydrophobicContact CB-CD2 3.71Å; P540-F557 HydrophobicContact CB-CE1 4.31Å; P540-F557 HydrophobicContact CB-CE2 3.85Å; P540-F557 HydrophobicContact CB-CG 3.86Å; P540-F557 HydrophobicContact CB-CZ 4.16Å; P540-F557 HydrophobicContact CG-CB 4.28Å; P540-F557 HydrophobicContact CG-CD2 4.31Å; P540-F557 HydrophobicContact CG-CG 4.18Å; P540-F557 WeakPolarHBondContact O-CD2 3.31Å; P540-F557 WeakPolarHBondContact O-CE2 3.38Å; P540-Y559 HydrophobicContact CG-CD1 3.85Å; P540-Y559 HydrophobicContact CG-CE1 3.88Å; P540-Y559 HydrophobicContact CG-CG 4.5Å; P540-L570 HydrophobicContact CG-CD1 4.03Å; P540-V591 HydrophobicContact CB-CG1 3.95Å; P540-M592 WeakPolarHBondContact CA-O 3.44Å; P540-I593 HydrophobicContact CB-CD1 4.3Å; P540-I593 HydrophobicContact CB-CG1 3.84Å; P540-I593 HydrophobicContact CG-CD1 4.29Å; P540-I593 HydrophobicContact CG-CG1 4.09Å
541	D	94.6	Very high	93.2	Very high	63 Å²	63	47.4 Å²	47.4	34%	0.337	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	136	-178.2	-72.7	-46.5	0	0	0	111.1	K539 V591 M592	K539-D541 PolarHBondContact O-N 3.14Å; D541-V591 CarbonylContact O-C 3.54Å; D541-V591 VanDerWaalsContact O-CA 3.31Å; D541-V591 WeakPolarHBondContact O-CA 3.21Å; D541-M592 HydrophobicContact CB-CB 4.25Å; D541-M592 PolarHBondContact N-O 3.15Å; D541-M592 PolarHBondContact O-N 3.17Å
542	W	96.1	Very high	93.4	Very high	2 Å²	2	48 Å²	48	1%	0.008	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	118.1	174	173.4	-127.7	0	0	0	111.2	P544 I553 V555 F557 G589 V591 V617 A941 Q944	W542-P544 HydrophobicContact CZ2-CB 4.04Å; W542-P544 WeakPolarHBondContact O-CD 3.41Å; W542-I553 HydrophobicContact CZ2-CB 4.03Å; W542-I553 HydrophobicContact CZ2-CG2 4.16Å; W542-I553 PolarHBondContact NE1-O 3.18Å; W542-V555 HydrophobicContact CD2-CB 4.23Å; W542-V555 HydrophobicContact CD2-CG2 3.72Å; W542-V555 HydrophobicContact CE3-CB 4.47Å; W542-V555 HydrophobicContact CE3-CG2 3.85Å; W542-V555 HydrophobicContact CG-CB 4.3Å; W542-V555 HydrophobicContact CG-CG2 4.25Å; W542-V555 HydrophobicContact CH2-CG2 4.12Å; W542-V555 HydrophobicContact CZ2-CG2 4.03Å; W542-V555 HydrophobicContact CZ3-CG2 4.04Å; W542-F557 HydrophobicContact CB-CZ 4.25Å; W542-G589 VanDerWaalsContact CH2-CA 3.41Å; W542-V591 HydrophobicContact CE3-CG2 3.97Å; W542-V591 HydrophobicContact CZ3-CG2 4.27Å; W542-V617 HydrophobicContact CH2-CB 4.3Å; W542-V617 HydrophobicContact CZ3-CB 4.13Å; W542-V617 HydrophobicContact CZ3-CG2 4.28Å; W542-A941 HydrophobicContact CB-CB 3.84Å; W542-Q944 PolarHBondContact O-N 2.98Å
543	Q	95.6	Very high	93.6	Very high	32 Å²	32	46.5 Å²	46.5	15%	0.15	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	90.7	-179	-71.1	-175.7	-5.9	0	0	111.2	G589 H590 Q944 L946	Q543-G589 WeakPolarHBondContact O-CA 3.37Å; Q543-H590 PolarHBondContact N-O 3.45Å; Q543-H590 PolarHBondContact O-N 3.43Å; Q543-H590 PolarHBondContact O-ND1 3.38Å; Q543-H590 PolarHBondContact OE1-CE1 2.77Å; Q543-H590 PolarHBondContact OE1-NE2 2.48Å; Q543-H590 VanDerWaalsContact OE1-NE2 3.09Å; Q543-Q944 WeakPolarHBondContact CA-O 3.19Å; Q543-Q944 HydrophobicContact CG-CB 4.02Å; Q543-L946 HydrophobicContact CB-CD1 3.92Å; Q543-L946 HydrophobicContact CB-CG 4.29Å; Q543-L946 HydrophobicContact CG-CD1 4.46Å
544	P	96	Very high	93.7	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	140.5	177.9	26.2	-30.5	0	0	0	112.6	W542 G550 P943 P945 L946	W542-P544 HydrophobicContact CZ2-CB 4.04Å; W542-P544 WeakPolarHBondContact O-CD 3.41Å; P544-G550 WeakPolarHBondContact CB-O 3.28Å; P544-P943 HydrophobicContact CG-CB 3.87Å; P544-P945 HydrophobicContact CG-CB 4.39Å; P544-L946 PolarHBondContact O-N 2.76Å
545	Y	95.4	Very high	93.8	Very high	19 Å²	19	46.8 Å²	46.8	8%	0.075	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-85.4	112.9	173.1	-62.3	-68.7	0	0	0	110.2	Q548 N549 G550 Q588 G589 H590 L946 E948 A950	Y545-Q548 CarbonylContact O-C 3.49Å; Y545-Q548 PolarHBondContact O-N 2.67Å; Y545-N549 PolarHBondContact O-N 2.91Å; Y545-G550 PolarHBondContact O-N 2.88Å; Y545-Q588 HydrophobicContact CD2-CB 4.21Å; Y545-Q588 PolarHBondContact N-O 3.19Å; Y545-Q588 VanDerWaalsContact N-O 3.09Å; Y545-G589 VanDerWaalsContact CD2-CA 3.5Å; Y545-H590 AromaticContact CE1-ND1 4Å; Y545-H590 HydrophobicContact CE2-CB 4.48Å; Y545-H590 AromaticContact CE2-ND1 3.85Å; Y545-H590 AromaticContact CZ-CE1 3.98Å; Y545-H590 AromaticContact CZ-ND1 3.41Å; Y545-H590 PolarHBondContact OH-ND1 3.36Å; Y545-H590 VanDerWaalsContact OH-ND1 3.16Å; Y545-L946 HydrophobicContact CD1-CB 4.47Å; Y545-L946 HydrophobicContact CE1-CD1 4.37Å; Y545-E948 WeakPolarHBondContact CD1-O 3.35Å; Y545-A950 HydrophobicContact CD1-CB 4.43Å; Y545-A950 HydrophobicContact CD2-CB 3.42Å; Y545-A950 VanDerWaalsContact CD2-CB 3.42Å; Y545-A950 HydrophobicContact CE2-CB 3.86Å; Y545-A950 HydrophobicContact CG-CB 3.76Å
546	L	92.7	Very high	93.9	Very high	70 Å²	70	40.9 Å²	40.9	37%	0.366	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-60.6	-43.1	-179.1	-65.2	176.9	0	0	0	113.5	Q548 N549 D551 P945 L946 N947	L546-Q548 PolarHBondContact O-N 3.33Å; L546-Q548 VanDerWaalsContact O-N 3.1Å; L546-N549 PolarHBondContact O-N 2.81Å; L546-N549 VanDerWaalsContact O-N 3.11Å; L546-D551 HydrophobicContact CD2-CB 4.25Å; L546-P945 HydrophobicContact CD1-CB 4.07Å; L546-P945 HydrophobicContact CD2-CB 3.69Å; L546-P945 HydrophobicContact CG-CB 3.88Å; L546-L946 PolarHBondContact N-O 3.29Å; L546-N947 HydrophobicContact CD1-CB 4.47Å
547	P	93.1	Very high	93.9	Very high	61 Å²	61	41.4 Å²	41.4	40%	0.396	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-65.4	-16.6	179.4	-20.7	34.2	0	0	0	113.8	E948	P547-E948 WeakPolarHBondContact CD-O 3.25Å
548	Q	92.9	Very high	94.1	Very high	44 Å²	44	41.1 Å²	41.1	21%	0.206	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-114.2	26.5	177.3	-70.7	74.3	37.3	0	0	112.1	Y545 L546 G550 A587 Q588 A950	Y545-Q548 CarbonylContact O-C 3.49Å; Y545-Q548 PolarHBondContact O-N 2.67Å; L546-Q548 PolarHBondContact O-N 3.33Å; L546-Q548 VanDerWaalsContact O-N 3.1Å; Q548-G550 PolarHBondContact O-N 2.75Å; Q548-G550 VanDerWaalsContact O-N 3.09Å; Q548-A587 VanDerWaalsContact O-CA 3.31Å; Q548-A587 WeakPolarHBondContact O-CA 3.38Å; Q548-Q588 HydrophobicContact CB-CB 3.92Å; Q548-Q588 HydrophobicContact CB-CG 4.18Å; Q548-Q588 PolarHBondContact O-N 3.33Å; Q548-A950 HydrophobicContact CB-CB 4.33Å; Q548-A950 HydrophobicContact CG-CB 3.87Å
549	N	94.2	Very high	94.3	Very high	65 Å²	65	38.7 Å²	38.7	35%	0.348	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	30.5	173.5	-45.3	-73	0	0	0	114.2	Y545 L546 D551 N552 W583 A587	Y545-N549 PolarHBondContact O-N 2.91Å; L546-N549 PolarHBondContact O-N 2.81Å; L546-N549 VanDerWaalsContact O-N 3.11Å; N549-D551 VanDerWaalsContact C-OD1 3.24Å; N549-D551 WeakPolarHBondContact CA-OD1 3.48Å; N549-D551 PolarHBondContact O-N 3.22Å; N549-D551 VanDerWaalsContact O-N 3.16Å; N549-N552 WeakPolarHBondContact O-CB 3.18Å; N549-N552 PolarHBondContact O-N 2.54Å; N549-N552 VanDerWaalsContact O-N 3.11Å; N549-W583 HydrophobicContact CB-CH2 3.99Å; N549-W583 HydrophobicContact CB-CZ2 3.92Å; N549-A587 VanDerWaalsContact O-CB 3.25Å; N549-A587 WeakPolarHBondContact O-CB 3.43Å
550	G	91.2	Very high	94.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-61.1	-22.7	-179.8	0	0	0	0	0	113.5	P544 Y545 Q548 N552 I553 Q588	P544-G550 WeakPolarHBondContact CB-O 3.28Å; Y545-G550 PolarHBondContact O-N 2.88Å; Q548-G550 PolarHBondContact O-N 2.75Å; Q548-G550 VanDerWaalsContact O-N 3.09Å; G550-N552 PolarHBondContact O-N 3.14Å; G550-I553 PolarHBondContact O-N 2.91Å; G550-I553 VanDerWaalsContact O-N 3.14Å; G550-Q588 WeakPolarHBondContact CA-O 3.35Å
551	D	93.8	Very high	94.4	Very high	55 Å²	55	35.9 Å²	35.9	29%	0.294	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-68.4	-10	177.5	66.6	-46.4	0	0	0	113.2	L546 N549 I553 K579	L546-D551 HydrophobicContact CD2-CB 4.25Å; N549-D551 VanDerWaalsContact C-OD1 3.24Å; N549-D551 WeakPolarHBondContact CA-OD1 3.48Å; N549-D551 PolarHBondContact O-N 3.22Å; N549-D551 VanDerWaalsContact O-N 3.16Å; D551-I553 VanDerWaalsContact C-N 3.29Å; D551-K579 VanDerWaalsContact CG-NZ 3.26Å; D551-K579 WeakPolarHBondContact O-CE 3.32Å; D551-K579 PolarHBondContact O-NZ 3.29Å; D551-K579 IonicContact OD2-NZ 3.19Å; D551-K579 PolarHBondContact OD2-NZ 2.95Å
552	N	95.2	Very high	94.4	Very high	16 Å²	16	37.1 Å²	37.1	9%	0.086	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-81.4	-5.5	171.7	-69.8	-20.3	0	0	0	113.6	N549 G550 A577 K579 A580 I621	N549-N552 WeakPolarHBondContact O-CB 3.18Å; N549-N552 PolarHBondContact O-N 2.54Å; N549-N552 VanDerWaalsContact O-N 3.11Å; G550-N552 PolarHBondContact O-N 3.14Å; N552-A577 WeakPolarHBondContact O-CB 3.43Å; N552-A577 PolarHBondContact O-N 3.14Å; N552-K579 VanDerWaalsContact OD1-CE 3.31Å; N552-K579 WeakPolarHBondContact OD1-CE 3.35Å; N552-A580 HydrophobicContact CB-CB 3.67Å; N552-I621 HydrophobicContact CB-CD1 3.97Å
553	I	95.4	Very high	94.3	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	134.8	179	-58.9	168.3	0	0	0	109.6	W542 G550 D551 V555 I574 A587 V619 I621	W542-I553 HydrophobicContact CZ2-CB 4.03Å; W542-I553 HydrophobicContact CZ2-CG2 4.16Å; W542-I553 PolarHBondContact NE1-O 3.18Å; G550-I553 PolarHBondContact O-N 2.91Å; G550-I553 VanDerWaalsContact O-N 3.14Å; D551-I553 VanDerWaalsContact C-N 3.29Å; I553-V555 HydrophobicContact CG2-CG2 3.8Å; I553-I574 HydrophobicContact CG2-CG2 3.7Å; I553-A587 HydrophobicContact CD1-CB 3.38Å; I553-A587 HydrophobicContact CG1-CB 3.6Å; I553-V619 HydrophobicContact CD1-CB 4Å; I553-V619 HydrophobicContact CD1-CG2 4.07Å; I553-I621 HydrophobicContact CG1-CD1 4Å
554	E	95.5	Very high	94.2	Very high	71 Å²	71	41.6 Å²	41.6	33%	0.332	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137	168.1	-68.5	175.3	-173.4	0	0	109.1	S575 A577 W940	E554-S575 PolarHBondContact N-O 3.45Å; E554-S575 PolarHBondContact O-N 3.47Å; E554-A577 HydrophobicContact CG-CB 4Å; E554-A577 WeakPolarHBondContact OE1-CA 3.32Å; E554-W940 HydrophobicContact CB-CD2 4.17Å; E554-W940 HydrophobicContact CB-CE3 3.68Å; E554-W940 HydrophobicContact CB-CZ3 4.05Å
555	V	96.4	Very high	94	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.3	-176.9	-174.1	0	0	0	0	109.3	W542 I553 F557 I572 S573 A941	W542-V555 HydrophobicContact CD2-CB 4.23Å; W542-V555 HydrophobicContact CD2-CG2 3.72Å; W542-V555 HydrophobicContact CE3-CB 4.47Å; W542-V555 HydrophobicContact CE3-CG2 3.85Å; W542-V555 HydrophobicContact CG-CB 4.3Å; W542-V555 HydrophobicContact CG-CG2 4.25Å; W542-V555 HydrophobicContact CH2-CG2 4.12Å; W542-V555 HydrophobicContact CZ2-CG2 4.03Å; W542-V555 HydrophobicContact CZ3-CG2 4.04Å; I553-V555 HydrophobicContact CG2-CG2 3.8Å; V555-F557 HydrophobicContact CB-CE1 4.44Å; V555-F557 HydrophobicContact CB-CZ 4.3Å; V555-F557 HydrophobicContact CG1-CD1 4.05Å; V555-F557 HydrophobicContact CG1-CE1 3.35Å; V555-F557 HydrophobicContact CG1-CZ 3.66Å; V555-I572 HydrophobicContact CG1-CG2 3.42Å; V555-I572 VanDerWaalsContact CG1-CG2 3.42Å; V555-S573 WeakPolarHBondContact CA-O 3.3Å; V555-A941 VanDerWaalsContact O-CB 3.31Å; V555-A941 WeakPolarHBondContact O-CB 3.3Å; V555-A941 PolarHBondContact O-N 3.28Å
556	A	96.3	Very high	93.9	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.008	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	155.6	169	0	0	0	0	0	110.1	S573 L938 W940	A556-S573 PolarHBondContact N-O 3.3Å; A556-S573 PolarHBondContact O-N 2.95Å; A556-L938 HydrophobicContact CB-CB 3.83Å; A556-L938 HydrophobicContact CB-CD2 4.15Å; A556-L938 HydrophobicContact CB-CG 4.39Å; A556-W940 HydrophobicContact CB-CD2 4.48Å; A556-W940 HydrophobicContact CB-CE3 3.86Å; A556-W940 HydrophobicContact CB-CZ3 4.05Å
557	F	94.9	Very high	94.1	Very high	29 Å²	29	37.9 Å²	37.9	13%	0.127	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	135.9	-172.9	-52.6	-64.4	0	0	0	111	P540 W542 V555 Y559 L570 A571 I572 V591 A941	P540-F557 HydrophobicContact CB-CB 4.49Å; P540-F557 HydrophobicContact CB-CD1 4.17Å; P540-F557 HydrophobicContact CB-CD2 3.71Å; P540-F557 HydrophobicContact CB-CE1 4.31Å; P540-F557 HydrophobicContact CB-CE2 3.85Å; P540-F557 HydrophobicContact CB-CG 3.86Å; P540-F557 HydrophobicContact CB-CZ 4.16Å; P540-F557 HydrophobicContact CG-CB 4.28Å; P540-F557 HydrophobicContact CG-CD2 4.31Å; P540-F557 HydrophobicContact CG-CG 4.18Å; P540-F557 WeakPolarHBondContact O-CD2 3.31Å; P540-F557 WeakPolarHBondContact O-CE2 3.38Å; W542-F557 HydrophobicContact CB-CZ 4.25Å; V555-F557 HydrophobicContact CB-CE1 4.44Å; V555-F557 HydrophobicContact CB-CZ 4.3Å; V555-F557 HydrophobicContact CG1-CD1 4.05Å; V555-F557 HydrophobicContact CG1-CE1 3.35Å; V555-F557 HydrophobicContact CG1-CZ 3.66Å; F557-Y559 HydrophobicContact CB-CD1 4.09Å; F557-Y559 HydrophobicContact CB-CE1 4.44Å; F557-L570 HydrophobicContact CD1-CD1 4.29Å; F557-A571 WeakPolarHBondContact CA-O 3.41Å; F557-I572 HydrophobicContact CD1-CG1 4.24Å; F557-I572 HydrophobicContact CE1-CG1 4.4Å; F557-I572 HydrophobicContact CE1-CG2 4.39Å; F557-V591 HydrophobicContact CD1-CG1 4.36Å; F557-V591 HydrophobicContact CE1-CB 4.22Å; F557-V591 HydrophobicContact CE1-CG1 3.47Å; F557-V591 VanDerWaalsContact CE1-CG1 3.47Å; F557-V591 HydrophobicContact CE1-CG2 3.64Å; F557-V591 HydrophobicContact CZ-CB 4.37Å; F557-V591 HydrophobicContact CZ-CG1 3.59Å; F557-V591 HydrophobicContact CZ-CG2 3.89Å; F557-A941 HydrophobicContact CD2-CB 4.13Å; F557-A941 HydrophobicContact CE2-CB 3.5Å; F557-A941 VanDerWaalsContact CE2-CB 3.5Å; F557-A941 HydrophobicContact CZ-CB 4.32Å
558	S	93.3	Very high	94.1	Very high	61 Å²	61	35.4 Å²	35.4	43%	0.427	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.4	161.3	175.1	0	0	0	0	107.9	L570 A571	S558-L570 CarbonylContact O-C 3.6Å; S558-A571 PolarHBondContact N-O 3.05Å; S558-A571 PolarHBondContact O-N 3.08Å
559	Y	93.9	Very high	94.2	Very high	58 Å²	58	37.3 Å²	37.3	23%	0.227	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	155.6	-171.7	57.5	-93	0	0	0	112.3	I536 P540 F557 Y569	I536-Y559 HydrophobicContact CB-CD2 4.46Å; I536-Y559 HydrophobicContact CB-CE2 4.36Å; I536-Y559 HydrophobicContact CD1-CD2 3.61Å; I536-Y559 HydrophobicContact CD1-CE2 4.32Å; I536-Y559 HydrophobicContact CD1-CG 4.13Å; I536-Y559 HydrophobicContact CG2-CD2 4.43Å; I536-Y559 HydrophobicContact CG2-CE2 4.12Å; P540-Y559 HydrophobicContact CG-CD1 3.85Å; P540-Y559 HydrophobicContact CG-CE1 3.88Å; P540-Y559 HydrophobicContact CG-CG 4.5Å; F557-Y559 HydrophobicContact CB-CD1 4.09Å; F557-Y559 HydrophobicContact CB-CE1 4.44Å; Y559-Y569 VanDerWaalsContact CA-O 3.27Å; Y559-Y569 WeakPolarHBondContact CA-O 3.48Å; Y559-Y569 WeakPolarHBondContact CB-O 3.25Å
560	S	93.3	Very high	94.3	Very high	13 Å²	13	34.2 Å²	34.2	9%	0.091	18%	0.176	C	C	.	.			trans	-74.5	121.3	171.9	53.7	0	0	0	0	110.4	I536 V562 G568 Y569	I536-S560 WeakPolarHBondContact CD1-O 3.18Å; S560-V562 VanDerWaalsContact C-N 3.25Å; S560-V562 WeakPolarHBondContact CB-O 3.41Å; S560-V562 PolarHBondContact O-N 3.07Å; S560-G568 WeakPolarHBondContact OG-CA 3.23Å; S560-Y569 PolarHBondContact N-O 3.3Å; S560-Y569 VanDerWaalsContact N-O 3.08Å; S560-Y569 PolarHBondContact OG-N 3.25Å; S560-Y569 PolarHBondContact OG-O 3.32Å
561	P	92.3	Very high	94.4	Very high	89 Å²	89	34.7 Å²	34.7	58%	0.578	18%	0.18	S	C	*	.	S	Bend	trans	-65.8	-31.9	178.5	25.8	-33.6	0	0	0	112.3	R535 I536	R535-P561 WeakPolarHBondContact CA-O 3.29Å; I536-P561 PolarHBondContact N-O 3.33Å
562	V	94.6	Very high	94.5	Very high	90 Å²	90	32 Å²	32	55%	0.545	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	135.1	177.5	-178.1	0	0	0	0	108.9	G534 S560	G534-V562 CarbonylContact O-C 3.59Å; G534-V562 WeakPolarHBondContact O-CA 3.31Å; S560-V562 VanDerWaalsContact C-N 3.25Å; S560-V562 WeakPolarHBondContact CB-O 3.41Å; S560-V562 PolarHBondContact O-N 3.07Å
563	L	94.9	Very high	94.5	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	122	173.1	-44	179.3	0	0	0	107.7	I526 N528 T533 G534 S567 V595	I526-L563 HydrophobicContact CB-CD2 4.36Å; I526-L563 HydrophobicContact CD1-CD2 4.2Å; I526-L563 HydrophobicContact CG2-CD1 3.79Å; I526-L563 HydrophobicContact CG2-CD2 4.4Å; N528-L563 HydrophobicContact CB-CD1 4.02Å; T533-L563 WeakPolarHBondContact CA-O 3.36Å; G534-L563 PolarHBondContact N-O 3.19Å; G534-L563 PolarHBondContact O-N 2.61Å; L563-S567 WeakPolarHBondContact CA-O 3.39Å; L563-V595 HydrophobicContact CD1-CG1 3.55Å; L563-V595 HydrophobicContact CD1-CG2 4.16Å
564	W	93.9	Very high	94.5	Very high	127 Å²	127	31.5 Å²	31.5	48%	0.481	16%	0.164	S	C	.	.			trans	-161.1	138.8	179.5	177.8	83.3	0	0	0	110.9	W331 S567	W331-W564 HydrophobicContact CB-CH2 3.91Å; W331-W564 HydrophobicContact CB-CZ3 4.14Å; W331-W564 HydrophobicContact CD2-CZ3 4.18Å; W331-W564 HydrophobicContact CE3-CH2 4.16Å; W331-W564 AromaticContact CE3-CZ3 3.68Å; W331-W564 HydrophobicContact CE3-CZ3 3.68Å; W331-W564 HydrophobicContact CG-CZ3 4.42Å; W331-W564 HydrophobicContact CZ3-CZ3 4.41Å; W564-S567 PolarHBondContact N-O 3.43Å; W564-S567 VanDerWaalsContact N-O 3.1Å
565	P	90.7	Very high	94.5	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	15%	0.153	C	C	.	.	S	Bend	cis	-84.8	-5.5	-1.6	33.8	-37.9	0	0	0	115.7	W331 T334 A335 D362 V532	W331-P565 HydrophobicContact CB-CG 3.99Å; W331-P565 HydrophobicContact CG-CG 4.44Å; W331-P565 WeakPolarHBondContact O-CG 3.43Å; T334-P565 WeakPolarHBondContact OG1-CG 3.5Å; A335-P565 HydrophobicContact CB-CB 3.69Å; D362-P565 HydrophobicContact CB-CG 4.33Å; D362-P565 WeakPolarHBondContact OD2-CD 3.25Å; V532-P565 CarbonylContact C-O 3.55Å; V532-P565 VanDerWaalsContact C-O 3.29Å; V532-P565 WeakPolarHBondContact CA-O 3.15Å; V532-P565 HydrophobicContact CG1-CB 4.21Å; V532-P565 VanDerWaalsContact CG1-O 3.23Å; V532-P565 WeakPolarHBondContact CG1-O 3.19Å; V532-P565 CarbonylContact O-C 3.2Å
566	W	94.3	Very high	94.5	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.008	15%	0.154	C	C	.	.	S	Bend	trans	-154.3	-8.1	169.1	-61.1	96.5	0	0	0	113.2	T334 N337 D362 N446 P447 A448 N528 G531 V532	T334-W566 VanDerWaalsContact C-NE1 3.31Å; T334-W566 PolarHBondContact O-NE1 3.09Å; N337-W566 WeakPolarHBondContact OD1-CH2 3.44Å; N337-W566 WeakPolarHBondContact OD1-CZ2 3.33Å; D362-W566 WeakPolarHBondContact OD1-CB 3.11Å; D362-W566 PolarHBondContact OD1-N 3.38Å; D362-W566 VanDerWaalsContact OD1-N 3.12Å; N446-W566 HydrophobicContact CB-CE3 4.45Å; N446-W566 HydrophobicContact CB-CH2 3.66Å; N446-W566 HydrophobicContact CB-CZ2 4.19Å; N446-W566 HydrophobicContact CB-CZ3 3.79Å; P447-W566 HydrophobicContact CB-CG 4.43Å; A448-W566 HydrophobicContact CB-CB 3.92Å; A448-W566 HydrophobicContact CB-CD2 4.48Å; A448-W566 HydrophobicContact CB-CE3 4.19Å; A448-W566 HydrophobicContact CB-CG 4.38Å; N528-W566 WeakPolarHBondContact CB-O 3.08Å; N528-W566 PolarHBondContact N-O 3.39Å; G531-W566 VanDerWaalsContact O-CE3 3.32Å; G531-W566 WeakPolarHBondContact O-CZ3 3.44Å; V532-W566 HydrophobicContact CB-CH2 4.12Å; V532-W566 HydrophobicContact CB-CZ2 4.16Å; V532-W566 HydrophobicContact CB-CZ3 4.46Å; V532-W566 HydrophobicContact CG1-CZ2 4.5Å; V532-W566 HydrophobicContact CG2-CH2 3.38Å; V532-W566 HydrophobicContact CG2-CZ2 3.43Å; V532-W566 VanDerWaalsContact CG2-CZ2 3.43Å; V532-W566 HydrophobicContact CG2-CZ3 4.15Å
567	S	95.3	Very high	94.5	Very high	8 Å²	8	29 Å²	29	6%	0.056	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	163.9	-172.2	64.7	0	0	0	0	112.1	M361 D362 I526 L563 W564	M361-S567 WeakPolarHBondContact CB-OG 3.41Å; D362-S567 VanDerWaalsContact CG-OG 3.28Å; D362-S567 WeakPolarHBondContact OD1-CB 3.2Å; D362-S567 PolarHBondContact OD1-N 3.13Å; D362-S567 VanDerWaalsContact OD1-N 3.07Å; D362-S567 PolarHBondContact OD1-OG 3.1Å; D362-S567 PolarHBondContact OD2-OG 3.27Å; I526-S567 CarbonylContact O-C 3.58Å; I526-S567 WeakPolarHBondContact O-CA 3.49Å; I526-S567 WeakPolarHBondContact O-CB 3.36Å; L563-S567 WeakPolarHBondContact CA-O 3.39Å; W564-S567 PolarHBondContact N-O 3.43Å; W564-S567 VanDerWaalsContact N-O 3.1Å
568	G	94.9	Very high	94.4	Very high	8 Å²	8	34.8 Å²	34.8	8%	0.082	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	-170.4	168.8	0	0	0	0	0	110.1	I526 S560	I526-G568 PolarHBondContact N-O 3.39Å; I526-G568 PolarHBondContact O-N 2.87Å; S560-G568 WeakPolarHBondContact OG-CA 3.23Å
569	Y	94.3	Very high	94.4	Very high	84 Å²	84	38 Å²	38	33%	0.329	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	150.1	-177.6	78.5	-89	0	0	0	111.9	V524 Y559 S560	V524-Y569 WeakPolarHBondContact O-CA 3.5Å; Y559-Y569 VanDerWaalsContact CA-O 3.27Å; Y559-Y569 WeakPolarHBondContact CA-O 3.48Å; Y559-Y569 WeakPolarHBondContact CB-O 3.25Å; S560-Y569 PolarHBondContact N-O 3.3Å; S560-Y569 VanDerWaalsContact N-O 3.08Å; S560-Y569 PolarHBondContact OG-N 3.25Å; S560-Y569 PolarHBondContact OG-O 3.32Å
570	L	95.3	Very high	94.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	107.5	167.6	171.9	79.2	0	0	0	107.4	V524 I526 P540 F557 S558 I572 I593 L615	V524-L570 HydrophobicContact CB-CB 4.34Å; V524-L570 HydrophobicContact CB-CD2 4.38Å; V524-L570 WeakPolarHBondContact CB-O 3.5Å; V524-L570 PolarHBondContact N-O 3.12Å; V524-L570 PolarHBondContact O-N 2.9Å; I526-L570 HydrophobicContact CD1-CB 4.04Å; I526-L570 HydrophobicContact CG1-CB 4.15Å; P540-L570 HydrophobicContact CG-CD1 4.03Å; F557-L570 HydrophobicContact CD1-CD1 4.29Å; S558-L570 CarbonylContact O-C 3.6Å; L570-I572 HydrophobicContact CD2-CD1 3.74Å; L570-I572 HydrophobicContact CD2-CG1 3.91Å; L570-I572 HydrophobicContact CG-CD1 4.3Å; L570-I572 HydrophobicContact CG-CG1 3.9Å; L570-I593 HydrophobicContact CD1-CD1 3.68Å; L570-I593 HydrophobicContact CD2-CD1 3.2Å; L570-I593 HydrophobicContact CG-CD1 3.95Å; L570-L615 HydrophobicContact CD2-CD2 4.36Å
571	A	94.3	Very high	94.5	Very high	10 Å²	10	36 Å²	36	8%	0.083	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	126.4	168.3	0	0	0	0	0	109.2	I521 N523 F557 S558	I521-A571 HydrophobicContact CG2-CB 4.24Å; N523-A571 WeakPolarHBondContact OD1-CA 3.43Å; N523-A571 WeakPolarHBondContact OD1-CB 3.27Å; F557-A571 WeakPolarHBondContact CA-O 3.41Å; S558-A571 PolarHBondContact N-O 3.05Å; S558-A571 PolarHBondContact O-N 3.08Å
572	I	95.6	Very high	94.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	114	178	-58.9	177.6	0	0	0	108	I497 I521 V522 V524 V555 F557 L570 I574 V591 L615	I497-I572 HydrophobicContact CD1-CD1 3.79Å; I521-I572 WeakPolarHBondContact CA-O 3.47Å; V522-I572 PolarHBondContact N-O 2.68Å; V522-I572 PolarHBondContact O-N 3.25Å; V524-I572 HydrophobicContact CG2-CD1 4.33Å; V555-I572 HydrophobicContact CG1-CG2 3.42Å; V555-I572 VanDerWaalsContact CG1-CG2 3.42Å; F557-I572 HydrophobicContact CD1-CG1 4.24Å; F557-I572 HydrophobicContact CE1-CG1 4.4Å; F557-I572 HydrophobicContact CE1-CG2 4.39Å; L570-I572 HydrophobicContact CD2-CD1 3.74Å; L570-I572 HydrophobicContact CD2-CG1 3.91Å; L570-I572 HydrophobicContact CG-CD1 4.3Å; L570-I572 HydrophobicContact CG-CG1 3.9Å; I572-I574 HydrophobicContact CG2-CD1 4.31Å; I572-I574 HydrophobicContact CG2-CG1 3.76Å; I572-V591 HydrophobicContact CD1-CG2 4.24Å; I572-L615 HydrophobicContact CD1-CD2 3.12Å
573	S	95.3	Very high	94.7	Very high	7 Å²	7	35.7 Å²	35.7	5%	0.049	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	113.9	174	-55.3	0	0	0	0	108.9	V555 A556	V555-S573 WeakPolarHBondContact CA-O 3.3Å; A556-S573 PolarHBondContact N-O 3.3Å; A556-S573 PolarHBondContact O-N 2.95Å
574	I	95.9	Very high	94.8	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.9	-175.8	-53.6	174.7	0	0	0	109.2	I497 I513 P519 T520 I553 I572 V617 V619	I497-I574 HydrophobicContact CG2-CD1 4.33Å; I513-I574 HydrophobicContact CD1-CG2 3.9Å; P519-I574 WeakPolarHBondContact CA-O 3.46Å; T520-I574 PolarHBondContact N-O 3.3Å; T520-I574 PolarHBondContact O-N 3.17Å; I553-I574 HydrophobicContact CG2-CG2 3.7Å; I572-I574 HydrophobicContact CG2-CD1 4.31Å; I572-I574 HydrophobicContact CG2-CG1 3.76Å; I574-V617 HydrophobicContact CD1-CG1 3.87Å; I574-V619 HydrophobicContact CD1-CG2 4.4Å; I574-V619 HydrophobicContact CG2-CG2 4.14Å
575	S	95.6	Very high	94.8	Very high	16 Å²	16	36.8 Å²	36.8	11%	0.112	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	169.1	173.8	-168	0	0	0	0	111.8	E554	E554-S575 PolarHBondContact N-O 3.45Å; E554-S575 PolarHBondContact O-N 3.47Å
576	V	96.3	Very high	95.1	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	134	-179.9	179.9	0	0	0	0	109.5	I513 Y515 A580 I621	I513-V576 HydrophobicContact CB-CG2 4.22Å; I513-V576 HydrophobicContact CD1-CG2 3.53Å; I513-V576 HydrophobicContact CG1-CG2 3.58Å; Y515-V576 WeakPolarHBondContact CD2-O 3.39Å; V576-A580 HydrophobicContact CG1-CB 3.74Å; V576-I621 HydrophobicContact CG1-CD1 4.29Å; V576-I621 HydrophobicContact CG1-CG2 3.84Å; V576-I621 HydrophobicContact CG2-CD1 4.26Å; V576-I621 HydrophobicContact CG2-CG1 4.22Å; V576-I621 HydrophobicContact CG2-CG2 3.93Å
577	A	94.9	Very high	95.1	Very high	4 Å²	4	40.3 Å²	40.3	3%	0.033	21%	0.211	C	C	.	.			trans	-65.8	146.8	175.8	0	0	0	0	0	111.4	N552 E554 K579 A580	N552-A577 WeakPolarHBondContact O-CB 3.43Å; N552-A577 PolarHBondContact O-N 3.14Å; E554-A577 HydrophobicContact CG-CB 4Å; E554-A577 WeakPolarHBondContact OE1-CA 3.32Å; A577-K579 HydrophobicContact CB-CG 4.1Å; A577-K579 PolarHBondContact O-N 2.68Å; A577-K579 VanDerWaalsContact O-N 3.09Å; A577-A580 PolarHBondContact O-N 3.32Å
578	K	93.9	Very high	95.1	Very high	150 Å²	150	41.4 Å²	41.4	65%	0.652	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-54.3	-34.4	-179.9	-175.9	173.8	-178.5	176.7	0	114	Y515 A580 A581	Y515-K578 HydrophobicContact CD2-CB 4.43Å; Y515-K578 HydrophobicContact CE1-CG 4.4Å; Y515-K578 HydrophobicContact CE2-CB 3.74Å; Y515-K578 HydrophobicContact CE2-CG 4.13Å; K578-A580 PolarHBondContact O-N 3.18Å; K578-A581 WeakPolarHBondContact O-CB 3.42Å; K578-A581 PolarHBondContact O-N 3.07Å
579	K	93.8	Very high	95.1	Very high	129 Å²	129	41.1 Å²	41.1	56%	0.561	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-65.1	-20.5	177.5	66.3	178.8	177.3	-174	0	113.8	D551 N552 A577	D551-K579 VanDerWaalsContact CG-NZ 3.26Å; D551-K579 WeakPolarHBondContact O-CE 3.32Å; D551-K579 PolarHBondContact O-NZ 3.29Å; D551-K579 IonicContact OD2-NZ 3.19Å; D551-K579 PolarHBondContact OD2-NZ 2.95Å; N552-K579 VanDerWaalsContact OD1-CE 3.31Å; N552-K579 WeakPolarHBondContact OD1-CE 3.35Å; A577-K579 HydrophobicContact CB-CG 4.1Å; A577-K579 PolarHBondContact O-N 2.68Å; A577-K579 VanDerWaalsContact O-N 3.09Å
580	A	94.6	Very high	95.2	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.008	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-102.3	15	-177.7	0	0	0	0	0	112.9	N552 V576 A577 K578 S582 W583	N552-A580 HydrophobicContact CB-CB 3.67Å; V576-A580 HydrophobicContact CG1-CB 3.74Å; A577-A580 PolarHBondContact O-N 3.32Å; K578-A580 PolarHBondContact O-N 3.18Å; A580-S582 VanDerWaalsContact C-N 3.26Å; A580-S582 PolarHBondContact O-N 3.38Å; A580-W583 HydrophobicContact CB-CB 4.04Å; A580-W583 WeakPolarHBondContact O-CB 3.22Å; A580-W583 PolarHBondContact O-N 3.25Å
581	A	94.4	Very high	95.3	Very high	28 Å²	28	37.2 Å²	37.2	23%	0.231	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-32.8	-177	0	0	0	0	0	114.5	Y515 K578 P623 T624	Y515-A581 HydrophobicContact CD1-CB 3.59Å; Y515-A581 HydrophobicContact CE1-CB 4.41Å; Y515-A581 HydrophobicContact CG-CB 3.8Å; K578-A581 WeakPolarHBondContact O-CB 3.42Å; K578-A581 PolarHBondContact O-N 3.07Å; A581-P623 WeakPolarHBondContact O-CA 3.33Å; A581-T624 PolarHBondContact O-N 2.79Å; A581-T624 PolarHBondContact O-OG1 2.94Å
582	S	94.9	Very high	95.3	Very high	106 Å²	106	38.2 Å²	38.2	74%	0.741	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.5	7.5	176.4	56.8	0	0	0	0	113.4	A580	A580-S582 VanDerWaalsContact C-N 3.26Å; A580-S582 PolarHBondContact O-N 3.38Å
583	W	95.8	Very high	95.3	Very high	66 Å²	66	38.3 Å²	38.3	25%	0.25	20%	0.201	C	C	.	.			trans	-89.5	146	-175.2	-175.9	81	0	0	0	111.4	N549 A580 G585 A587 I621 I622	N549-W583 HydrophobicContact CB-CH2 3.99Å; N549-W583 HydrophobicContact CB-CZ2 3.92Å; A580-W583 HydrophobicContact CB-CB 4.04Å; A580-W583 WeakPolarHBondContact O-CB 3.22Å; A580-W583 PolarHBondContact O-N 3.25Å; W583-G585 VanDerWaalsContact CH2-C 3.42Å; W583-G585 VanDerWaalsContact CH2-CA 3.42Å; W583-A587 HydrophobicContact CH2-CB 4.42Å; W583-A587 HydrophobicContact CZ3-CB 4.33Å; W583-I621 HydrophobicContact CE3-CB 3.79Å; W583-I621 HydrophobicContact CE3-CD1 4.1Å; W583-I621 HydrophobicContact CE3-CG1 4.42Å; W583-I621 HydrophobicContact CE3-CG2 3.96Å; W583-I621 HydrophobicContact CZ3-CB 3.74Å; W583-I621 HydrophobicContact CZ3-CD1 3.82Å; W583-I621 HydrophobicContact CZ3-CG1 4.06Å; W583-I621 HydrophobicContact CZ3-CG2 4.41Å; W583-I622 CarbonylContact O-C 3.53Å; W583-I622 VanDerWaalsContact O-C 3.32Å
584	E	96.3	Very high	95.3	Very high	128 Å²	128	39.8 Å²	39.8	60%	0.598	21%	0.209	S	C	*	.			trans	-125	132.1	173.6	-167.8	178.1	172.5	0	0	109.7	I622 P623	E584-I622 HydrophobicContact CG-CG2 4.45Å; E584-P623 HydrophobicContact CB-CG 4.38Å
585	G	95.3	Very high	95.3	Very high	23 Å²	23	39.8 Å²	39.8	24%	0.237	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.3	-167.1	175	0	0	0	0	0	114	W583 I621	W583-G585 VanDerWaalsContact CH2-C 3.42Å; W583-G585 VanDerWaalsContact CH2-CA 3.42Å; G585-I621 PolarHBondContact N-O 3.48Å; G585-I621 PolarHBondContact O-N 2.79Å
586	I	95.5	Very high	95.2	Very high	77 Å²	77	39.1 Å²	39.1	40%	0.395	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.8	176.2	-60.8	173.4	0	0	0	108.1	Q588 K618 V619	I586-Q588 HydrophobicContact CG2-CG 4.25Å; I586-K618 HydrophobicContact CG2-CD 4.32Å; I586-K618 HydrophobicContact CG2-CG 3.85Å; I586-V619 WeakPolarHBondContact CA-O 3.25Å
587	A	95.3	Very high	95	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	142.7	176	0	0	0	0	0	110.5	Q548 N549 I553 W583 V619 I621	Q548-A587 VanDerWaalsContact O-CA 3.31Å; Q548-A587 WeakPolarHBondContact O-CA 3.38Å; N549-A587 VanDerWaalsContact O-CB 3.25Å; N549-A587 WeakPolarHBondContact O-CB 3.43Å; I553-A587 HydrophobicContact CD1-CB 3.38Å; I553-A587 HydrophobicContact CG1-CB 3.6Å; W583-A587 HydrophobicContact CH2-CB 4.42Å; W583-A587 HydrophobicContact CZ3-CB 4.33Å; A587-V619 PolarHBondContact N-O 2.84Å; A587-V619 PolarHBondContact O-N 3.44Å; A587-I621 HydrophobicContact CB-CD1 3.85Å; A587-I621 HydrophobicContact CB-CG1 4.49Å
588	Q	95.5	Very high	94.6	Very high	31 Å²	31	42.3 Å²	42.3	15%	0.145	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	143.4	-175.7	-58.4	-173.3	30.4	0	0	112.7	Y545 Q548 G550 I586 V617 K618 A950	Y545-Q588 HydrophobicContact CD2-CB 4.21Å; Y545-Q588 PolarHBondContact N-O 3.19Å; Y545-Q588 VanDerWaalsContact N-O 3.09Å; Q548-Q588 HydrophobicContact CB-CB 3.92Å; Q548-Q588 HydrophobicContact CB-CG 4.18Å; Q548-Q588 PolarHBondContact O-N 3.33Å; G550-Q588 WeakPolarHBondContact CA-O 3.35Å; I586-Q588 HydrophobicContact CG2-CG 4.25Å; Q588-V617 WeakPolarHBondContact CA-O 3.41Å; Q588-K618 HydrophobicContact CG-CB 4.08Å; Q588-K618 HydrophobicContact CG-CD 4.23Å; Q588-K618 HydrophobicContact CG-CG 3.9Å; Q588-A950 HydrophobicContact CB-CB 4.06Å
589	G	95.4	Very high	93.6	Very high	1 Å²	1	37 Å²	37	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	-168.6	171.1	0	0	0	0	0	110.5	W542 Q543 Y545 V617	W542-G589 VanDerWaalsContact CH2-CA 3.41Å; Q543-G589 WeakPolarHBondContact O-CA 3.37Å; Y545-G589 VanDerWaalsContact CD2-CA 3.5Å; G589-V617 PolarHBondContact N-O 3.05Å; G589-V617 PolarHBondContact O-N 2.96Å; G589-V617 VanDerWaalsContact O-O 3.13Å
590	H	95.9	Very high	92.1	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.009	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	154.8	169.9	69.5	-71.3	0	0	0	112.1	Q543 Y545 L615	Q543-H590 PolarHBondContact N-O 3.45Å; Q543-H590 PolarHBondContact O-N 3.43Å; Q543-H590 PolarHBondContact O-ND1 3.38Å; Q543-H590 PolarHBondContact OE1-CE1 2.77Å; Q543-H590 PolarHBondContact OE1-NE2 2.48Å; Q543-H590 VanDerWaalsContact OE1-NE2 3.09Å; Y545-H590 AromaticContact CE1-ND1 4Å; Y545-H590 HydrophobicContact CE2-CB 4.48Å; Y545-H590 AromaticContact CE2-ND1 3.85Å; Y545-H590 AromaticContact CZ-CE1 3.98Å; Y545-H590 AromaticContact CZ-ND1 3.41Å; Y545-H590 PolarHBondContact OH-ND1 3.36Å; Y545-H590 VanDerWaalsContact OH-ND1 3.16Å; H590-L615 CarbonylContact C-O 3.57Å; H590-L615 WeakPolarHBondContact CA-O 3.18Å; H590-L615 WeakPolarHBondContact CB-O 3.41Å
591	V	96.4	Very high	90.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	133.6	174.1	-175.9	0	0	0	0	108.4	P540 D541 W542 F557 I572 I593 K614 L615 V617	P540-V591 HydrophobicContact CB-CG1 3.95Å; D541-V591 CarbonylContact O-C 3.54Å; D541-V591 VanDerWaalsContact O-CA 3.31Å; D541-V591 WeakPolarHBondContact O-CA 3.21Å; W542-V591 HydrophobicContact CE3-CG2 3.97Å; W542-V591 HydrophobicContact CZ3-CG2 4.27Å; F557-V591 HydrophobicContact CD1-CG1 4.36Å; F557-V591 HydrophobicContact CE1-CB 4.22Å; F557-V591 HydrophobicContact CE1-CG1 3.47Å; F557-V591 VanDerWaalsContact CE1-CG1 3.47Å; F557-V591 HydrophobicContact CE1-CG2 3.64Å; F557-V591 HydrophobicContact CZ-CB 4.37Å; F557-V591 HydrophobicContact CZ-CG1 3.59Å; F557-V591 HydrophobicContact CZ-CG2 3.89Å; I572-V591 HydrophobicContact CD1-CG2 4.24Å; V591-I593 HydrophobicContact CG1-CD1 4.3Å; V591-I593 HydrophobicContact CG1-CG1 4.13Å; V591-K614 CarbonylContact O-C 3.56Å; V591-K614 WeakPolarHBondContact O-CA 3.41Å; V591-L615 HydrophobicContact CB-CB 4.25Å; V591-L615 PolarHBondContact N-O 3.09Å; V591-L615 PolarHBondContact O-N 3.42Å; V591-V617 HydrophobicContact CG2-CG2 4.18Å
592	M	95.5	Very high	88.2	Confident	31 Å²	31	48.7 Å²	48.7	15%	0.153	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.2	176.5	-72	-68	-70	0	0	109.6	P540 D541 T612 K614	P540-M592 WeakPolarHBondContact CA-O 3.44Å; D541-M592 HydrophobicContact CB-CB 4.25Å; D541-M592 PolarHBondContact N-O 3.15Å; D541-M592 PolarHBondContact O-N 3.17Å; M592-T612 HydrophobicContact CE-CG2 3.28Å; M592-K614 HydrophobicContact CE-CD 4.4Å; M592-K614 HydrophobicContact CE-CG 4.27Å; M592-K614 HydrophobicContact SD-CB 3.97Å; M592-K614 HydrophobicContact SD-CD 3.51Å; M592-K614 VanDerWaalsContact SD-CD 3.51Å; M592-K614 VanDerWaalsContact SD-CE 3.56Å; M592-K614 HydrophobicContact SD-CG 3.38Å; M592-K614 WeakPolarHBondContact SD-CG 3.34Å
593	I	95.3	Very high	85.9	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.015	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	133.1	178.8	-61.4	174.3	0	0	0	109.3	I536 P540 L570 V591 V595 T612 V613	I536-I593 HydrophobicContact CG2-CG2 4.4Å; P540-I593 HydrophobicContact CB-CD1 4.3Å; P540-I593 HydrophobicContact CB-CG1 3.84Å; P540-I593 HydrophobicContact CG-CD1 4.29Å; P540-I593 HydrophobicContact CG-CG1 4.09Å; L570-I593 HydrophobicContact CD1-CD1 3.68Å; L570-I593 HydrophobicContact CD2-CD1 3.2Å; L570-I593 HydrophobicContact CG-CD1 3.95Å; V591-I593 HydrophobicContact CG1-CD1 4.3Å; V591-I593 HydrophobicContact CG1-CG1 4.13Å; I593-V595 HydrophobicContact CG2-CG2 4.25Å; I593-T612 CarbonylContact O-C 3.48Å; I593-T612 VanDerWaalsContact O-CA 3.29Å; I593-T612 WeakPolarHBondContact O-CA 3.4Å; I593-V613 PolarHBondContact N-O 3.19Å; I593-V613 PolarHBondContact O-N 2.71Å
594	T	95.4	Very high	83.4	Confident	37 Å²	37	54 Å²	54	23%	0.227	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	116.8	174.6	-58.5	0	0	0	0	109.7	V537 T612	V537-T594 HydrophobicContact CG2-CG2 4.38Å; V537-T594 PolarHBondContact N-O 3.1Å; V537-T594 VanDerWaalsContact N-O 3.14Å; T594-T612 PolarHBondContact OG1-OG1 3.26Å
595	V	95	Very high	81	Confident	2 Å²	2	55 Å²	55	1%	0.012	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.7	173.7	-179.7	0	0	0	0	108.1	A490 I526 M530 R535 L563 I593 T610 S611	A490-V595 HydrophobicContact CB-CB 3.93Å; A490-V595 HydrophobicContact CB-CG1 4.48Å; A490-V595 HydrophobicContact CB-CG2 3.9Å; I526-V595 HydrophobicContact CG2-CG2 4.11Å; M530-V595 HydrophobicContact CE-CB 4.2Å; M530-V595 HydrophobicContact CE-CG1 3.92Å; R535-V595 WeakPolarHBondContact O-CA 3.48Å; L563-V595 HydrophobicContact CD1-CG1 3.55Å; L563-V595 HydrophobicContact CD1-CG2 4.16Å; I593-V595 HydrophobicContact CG2-CG2 4.25Å; V595-T610 CarbonylContact O-C 3.31Å; V595-T610 WeakPolarHBondContact O-CA 3.46Å; V595-S611 PolarHBondContact N-O 3.39Å; V595-S611 PolarHBondContact O-N 2.9Å
596	S	94.4	Very high	79	Confident	2 Å²	2	58.1 Å²	58.1	1%	0.014	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	140.1	168.2	171.4	0	0	0	0	109.5	G534 R535 E608 Q609	G534-S596 CarbonylContact C-O 3.59Å; G534-S596 VanDerWaalsContact CA-O 3.32Å; G534-S596 WeakPolarHBondContact CA-O 3.24Å; R535-S596 PolarHBondContact N-O 2.91Å; R535-S596 PolarHBondContact O-N 3.09Å; S596-E608 WeakPolarHBondContact OG-CB 3.42Å; S596-E608 PolarHBondContact OG-OE2 2.97Å; S596-Q609 CarbonylContact C-O 3.19Å; S596-Q609 WeakPolarHBondContact CA-O 3.42Å
597	S	92.1	Very high	77.6	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	141.1	175.3	-175.1	0	0	0	0	109.5	N528 G531 T533 E608 Q609	N528-S597 PolarHBondContact ND2-OG 3.34Å; G531-S597 WeakPolarHBondContact CA-OG 3.37Å; G531-S597 PolarHBondContact N-OG 2.78Å; T533-S597 PolarHBondContact O-OG 3.07Å; S597-E608 WeakPolarHBondContact O-CA 3.43Å; S597-Q609 PolarHBondContact N-O 2.82Å; S597-Q609 PolarHBondContact O-N 2.61Å
598	P	87	Confident	77	Confident	72 Å²	72	61.8 Å²	61.8	47%	0.468	36%	0.356	S	S	.	.			trans	-57.6	140.2	168	-19.4	32.1	0	0	0	110.2	T533	T533-P598 VanDerWaalsContact O-CD 3.29Å; T533-P598 WeakPolarHBondContact O-CD 3.38Å
599	A	70.9	Confident	76.6	Confident	39 Å²	39	64 Å²	64	32%	0.322	37%	0.367	S	S	.	.			trans	-73.2	130.4	172.8	0	0	0	0	0	110	N601 A607 Q609	A599-N601 PolarHBondContact O-N 2.72Å; A599-A607 WeakPolarHBondContact CB-O 3.36Å; A599-Q609 HydrophobicContact CB-CG 4.44Å
600	E	63.5	Low	76.5	Confident	92 Å²	92	68.5 Å²	68.5	43%	0.43	39%	0.394	S	S	.	.	S	Bend	trans	-67.5	-18.9	178.3	-73.7	-175.3	159.8	0	0	113.5
601	N	56.4	Low	76.4	Confident	105 Å²	105	69.1 Å²	69.1	56%	0.561	40%	0.399	S	S	*	.			trans	-103.2	110.3	-177.5	-74.3	-22.9	0	0	0	111.6	A599 S603	A599-N601 PolarHBondContact O-N 2.72Å; N601-S603 PolarHBondContact O-N 3.17Å
602	E	49.4	Very low	76.3	Confident	205 Å²	205	72.7 Å²	72.7	96%	0.958	42%	0.421	S	S	*	.			trans	-59.9	4.4	174.6	-66.1	-175.9	151.6	0	0	115	K604	E602-K604 PolarHBondContact O-N 3.4Å
603	S	46.9	Very low	76.3	Confident	97 Å²	97	72.3 Å²	72.3	68%	0.678	42%	0.42	S	S	*	.	S	Bend	trans	-90	96.2	-174.7	58.5	0	0	0	0	112.6	N601	N601-S603 PolarHBondContact O-N 3.17Å
604	K	44.5	Very low	76.2	Confident	188 Å²	188	78.2 Å²	78.2	82%	0.817	45%	0.445	S	S	*	.	S	Bend	trans	77.7	93.2	164.6	-59.5	-171.5	178.6	-176.8	0	115.5	E602	E602-K604 PolarHBondContact O-N 3.4Å
605	N	45	Very low	76.2	Confident	148 Å²	148	76.5 Å²	76.5	79%	0.791	44%	0.435	S	S	*	.	S	Bend	trans	73.6	120.5	178.8	-53.4	-18.4	0	0	0	111	A607	N605-A607 PolarHBondContact O-N 3.24Å
606	G	53.8	Low	76.2	Confident	89 Å²	89	77.5 Å²	77.5	92%	0.918	44%	0.442	S	S	*	.			trans	-64.1	58.9	174.1	0	0	0	0	0	112.6	E608	G606-E608 PolarHBondContact O-N 2.83Å
607	A	66.8	Low	76.3	Confident	65 Å²	65	77.5 Å²	77.5	54%	0.537	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-77.3	117.1	-178.3	0	0	0	0	0	108	A599 N605	A599-A607 WeakPolarHBondContact CB-O 3.36Å; N605-A607 PolarHBondContact O-N 3.24Å
608	E	81.9	Confident	76.5	Confident	88 Å²	88	79.3 Å²	79.3	41%	0.411	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-64.3	133.2	172.1	-66.8	-179.6	-174	0	0	110.1	R535 S596 S597 G606	R535-E608 IonicContact CZ-OE1 3.61Å; R535-E608 VanDerWaalsContact CZ-OE1 3.32Å; R535-E608 IonicContact CZ-OE2 3.13Å; R535-E608 IonicContact NE-OE1 2.89Å; R535-E608 IonicContact NE-OE2 3.75Å; R535-E608 IonicContact NH1-OE1 2.8Å; R535-E608 IonicContact NH2-OE1 2.88Å; R535-E608 PolarHBondContact NH2-OE1 2.93Å; R535-E608 IonicContact NH2-OE2 3.03Å; R535-E608 PolarHBondContact NH2-OE2 3.42Å; S596-E608 WeakPolarHBondContact OG-CB 3.42Å; S596-E608 PolarHBondContact OG-OE2 2.97Å; S597-E608 WeakPolarHBondContact O-CA 3.43Å; G606-E608 PolarHBondContact O-N 2.83Å
609	Q	87.6	Confident	76.9	Confident	78 Å²	78	75.9 Å²	75.9	36%	0.364	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	128.1	170.1	-67.3	-172.5	-6.3	0	0	108.4	M530 S596 S597 A599	M530-Q609 HydrophobicContact CB-CB 4.4Å; M530-Q609 HydrophobicContact CG-CB 4.42Å; M530-Q609 HydrophobicContact SD-CB 3.82Å; S596-Q609 CarbonylContact C-O 3.19Å; S596-Q609 WeakPolarHBondContact CA-O 3.42Å; S597-Q609 PolarHBondContact N-O 2.82Å; S597-Q609 PolarHBondContact O-N 2.61Å; A599-Q609 HydrophobicContact CB-CG 4.44Å
610	T	92.1	Very high	78.1	Confident	96 Å²	96	78.5 Å²	78.5	59%	0.589	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.5	178	51.9	0	0	0	0	110	V595	V595-T610 CarbonylContact O-C 3.31Å; V595-T610 WeakPolarHBondContact O-CA 3.46Å
611	S	94.2	Very high	79.6	Confident	15 Å²	15	74.1 Å²	74.1	11%	0.105	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	119.2	176.4	178.2	0	0	0	0	109.2	A490 M530 V595	A490-S611 PolarHBondContact N-OG 2.8Å; M530-S611 VanDerWaalsContact SD-CB 3.56Å; V595-S611 PolarHBondContact N-O 3.39Å; V595-S611 PolarHBondContact O-N 2.9Å
612	T	95.1	Very high	81.6	Confident	75 Å²	75	70.2 Å²	70.2	46%	0.46	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	125.9	174.8	-54.8	0	0	0	0	110	M592 I593 T594	M592-T612 HydrophobicContact CE-CG2 3.28Å; I593-T612 CarbonylContact O-C 3.48Å; I593-T612 VanDerWaalsContact O-CA 3.29Å; I593-T612 WeakPolarHBondContact O-CA 3.4Å; T594-T612 PolarHBondContact OG1-OG1 3.26Å
613	V	94	Very high	83.8	Confident	23 Å²	23	62.9 Å²	62.9	14%	0.139	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	141.2	-177.6	-167.5	0	0	0	0	110	A490 L492 I593	A490-V613 HydrophobicContact CB-CG2 3.71Å; A490-V613 WeakPolarHBondContact O-CG2 3.32Å; L492-V613 HydrophobicContact CD1-CB 4.33Å; L492-V613 HydrophobicContact CD1-CG1 3.78Å; L492-V613 HydrophobicContact CG-CB 4.41Å; L492-V613 HydrophobicContact CG-CG1 3.8Å; I593-V613 PolarHBondContact N-O 3.19Å; I593-V613 PolarHBondContact O-N 2.71Å
614	K	94.1	Very high	86.1	Confident	127 Å²	127	60.4 Å²	60.4	55%	0.552	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	129.2	176.3	-44.3	-148.4	169.3	-168.2	0	109.7	V591 M592	V591-K614 CarbonylContact O-C 3.56Å; V591-K614 WeakPolarHBondContact O-CA 3.41Å; M592-K614 HydrophobicContact CE-CD 4.4Å; M592-K614 HydrophobicContact CE-CG 4.27Å; M592-K614 HydrophobicContact SD-CB 3.97Å; M592-K614 HydrophobicContact SD-CD 3.51Å; M592-K614 VanDerWaalsContact SD-CD 3.51Å; M592-K614 VanDerWaalsContact SD-CE 3.56Å; M592-K614 HydrophobicContact SD-CG 3.38Å; M592-K614 WeakPolarHBondContact SD-CG 3.34Å
615	L	95.6	Very high	88.5	Confident	0 Å²	0	52 Å²	52	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	103.7	171.4	-172.8	71.6	0	0	0	110.3	L492 I497 V524 L570 I572 H590 V591	L492-L615 HydrophobicContact CB-CD1 4.27Å; L492-L615 HydrophobicContact CD1-CB 3.6Å; L492-L615 HydrophobicContact CD1-CD1 3.86Å; L492-L615 HydrophobicContact CD1-CD2 4.44Å; L492-L615 HydrophobicContact CD1-CG 4.17Å; I497-L615 HydrophobicContact CD1-CD2 3.84Å; I497-L615 HydrophobicContact CG1-CD2 4.29Å; V524-L615 HydrophobicContact CG2-CD2 4.11Å; L570-L615 HydrophobicContact CD2-CD2 4.36Å; I572-L615 HydrophobicContact CD1-CD2 3.12Å; H590-L615 CarbonylContact C-O 3.57Å; H590-L615 WeakPolarHBondContact CA-O 3.18Å; H590-L615 WeakPolarHBondContact CB-O 3.41Å; V591-L615 HydrophobicContact CB-CB 4.25Å; V591-L615 PolarHBondContact N-O 3.09Å; V591-L615 PolarHBondContact O-N 3.42Å
616	P	95.9	Very high	90.9	Very high	24 Å²	24	49 Å²	49	16%	0.156	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	138.1	175	-18.1	31.6	0	0	0	111.5	I497 L954	I497-P616 PolarHBondContact N-O 2.75Å; P616-L954 HydrophobicContact CB-CD1 4.11Å; P616-L954 HydrophobicContact CB-CD2 3.43Å; P616-L954 VanDerWaalsContact CB-CD2 3.43Å; P616-L954 HydrophobicContact CB-CG 4.33Å; P616-L954 HydrophobicContact CG-CD2 4.07Å
617	V	95.8	Very high	92.8	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.006	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	124.2	177.9	-179.4	0	0	0	0	108.7	I497 W542 I574 Q588 G589 V591 V619	I497-V617 HydrophobicContact CB-CG2 4.42Å; I497-V617 HydrophobicContact CD1-CG2 4.47Å; I497-V617 CarbonylContact O-C 3.54Å; I497-V617 WeakPolarHBondContact O-CA 3.49Å; W542-V617 HydrophobicContact CH2-CB 4.3Å; W542-V617 HydrophobicContact CZ3-CB 4.13Å; W542-V617 HydrophobicContact CZ3-CG2 4.28Å; I574-V617 HydrophobicContact CD1-CG1 3.87Å; Q588-V617 WeakPolarHBondContact CA-O 3.41Å; G589-V617 PolarHBondContact N-O 3.05Å; G589-V617 PolarHBondContact O-N 2.96Å; G589-V617 VanDerWaalsContact O-O 3.13Å; V591-V617 HydrophobicContact CG2-CG2 4.18Å; V617-V619 HydrophobicContact CG1-CG2 3.81Å
618	K	95.5	Very high	94	Very high	39 Å²	39	47 Å²	47	17%	0.17	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	127.1	177.9	172.8	171.2	162.8	-134.3	0	110	I497 D498 L499 T500 I586 Q588 L954	I497-K618 PolarHBondContact O-N 3.31Å; D498-K618 HydrophobicContact CB-CB 4.47Å; D498-K618 IonicContact OD1-NZ 3.98Å; D498-K618 WeakPolarHBondContact OD2-CD 3.28Å; D498-K618 IonicContact OD2-NZ 2.74Å; D498-K618 PolarHBondContact OD2-NZ 3.11Å; L499-K618 PolarHBondContact N-O 3.38Å; T500-K618 HydrophobicContact CG2-CG 4.42Å; T500-K618 VanDerWaalsContact OG1-CE 3.3Å; T500-K618 WeakPolarHBondContact OG1-CE 2.89Å; T500-K618 PolarHBondContact OG1-NZ 2.91Å; I586-K618 HydrophobicContact CG2-CD 4.32Å; I586-K618 HydrophobicContact CG2-CG 3.85Å; Q588-K618 HydrophobicContact CG-CB 4.08Å; Q588-K618 HydrophobicContact CG-CD 4.23Å; Q588-K618 HydrophobicContact CG-CG 3.9Å; K618-L954 HydrophobicContact CB-CD1 3.75Å; K618-L954 HydrophobicContact CD-CD1 4.3Å
619	V	95.6	Very high	94.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	143.6	-168.7	-175.6	0	0	0	0	110.9	L499 I513 I553 I574 I586 A587 V617	L499-V619 HydrophobicContact CD1-CB 4.48Å; L499-V619 HydrophobicContact CD1-CG1 3.93Å; L499-V619 HydrophobicContact CD1-CG2 4.01Å; L499-V619 HydrophobicContact CG-CG2 4.13Å; I513-V619 HydrophobicContact CD1-CB 4.46Å; I513-V619 HydrophobicContact CD1-CG1 3.35Å; I513-V619 HydrophobicContact CG1-CG1 3.43Å; I513-V619 VanDerWaalsContact CG1-CG1 3.43Å; I513-V619 HydrophobicContact CG2-CG1 4.41Å; I553-V619 HydrophobicContact CD1-CB 4Å; I553-V619 HydrophobicContact CD1-CG2 4.07Å; I574-V619 HydrophobicContact CD1-CG2 4.4Å; I574-V619 HydrophobicContact CG2-CG2 4.14Å; I586-V619 WeakPolarHBondContact CA-O 3.25Å; A587-V619 PolarHBondContact N-O 2.84Å; A587-V619 PolarHBondContact O-N 3.44Å; V617-V619 HydrophobicContact CG1-CG2 3.81Å
620	K	95.8	Very high	95	Very high	94 Å²	94	42.4 Å²	42.4	41%	0.409	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	123.1	170.2	-174.8	177.1	-179.7	-178	0	109.7	T500 P512 I513	T500-K620 HydrophobicContact CG2-CB 4.1Å; P512-K620 WeakPolarHBondContact CA-O 2.99Å; P512-K620 HydrophobicContact CB-CB 4.21Å; P512-K620 HydrophobicContact CB-CD 4.25Å; P512-K620 HydrophobicContact CB-CG 4.03Å; P512-K620 WeakPolarHBondContact CB-O 3.16Å; I513-K620 PolarHBondContact N-O 3.02Å; I513-K620 VanDerWaalsContact N-O 3.07Å
621	I	96.8	Very high	95.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	138.8	176.9	-55	-178.9	0	0	0	108.7	I513 N552 I553 V576 W583 G585 A587	I513-I621 HydrophobicContact CD1-CG1 4.49Å; I513-I621 HydrophobicContact CG1-CG1 4.21Å; I513-I621 WeakPolarHBondContact O-CA 3.41Å; N552-I621 HydrophobicContact CB-CD1 3.97Å; I553-I621 HydrophobicContact CG1-CD1 4Å; V576-I621 HydrophobicContact CG1-CD1 4.29Å; V576-I621 HydrophobicContact CG1-CG2 3.84Å; V576-I621 HydrophobicContact CG2-CD1 4.26Å; V576-I621 HydrophobicContact CG2-CG1 4.22Å; V576-I621 HydrophobicContact CG2-CG2 3.93Å; W583-I621 HydrophobicContact CE3-CB 3.79Å; W583-I621 HydrophobicContact CE3-CD1 4.1Å; W583-I621 HydrophobicContact CE3-CG1 4.42Å; W583-I621 HydrophobicContact CE3-CG2 3.96Å; W583-I621 HydrophobicContact CZ3-CB 3.74Å; W583-I621 HydrophobicContact CZ3-CD1 3.82Å; W583-I621 HydrophobicContact CZ3-CG1 4.06Å; W583-I621 HydrophobicContact CZ3-CG2 4.41Å; G585-I621 PolarHBondContact N-O 3.48Å; G585-I621 PolarHBondContact O-N 2.79Å; A587-I621 HydrophobicContact CB-CD1 3.85Å; A587-I621 HydrophobicContact CB-CG1 4.49Å
622	I	96.6	Very high	95.3	Very high	22 Å²	22	37.2 Å²	37.2	11%	0.113	19%	0.193	C	C	.	.			trans	-124.4	162	170.1	61.7	162	0	0	0	110.5	P512 I513 Y514 W583 E584 F682	P512-I622 HydrophobicContact CB-CG1 4.14Å; P512-I622 HydrophobicContact CB-CG2 3.77Å; P512-I622 HydrophobicContact CG-CB 4.37Å; P512-I622 HydrophobicContact CG-CD1 3.68Å; P512-I622 HydrophobicContact CG-CG1 3.82Å; P512-I622 HydrophobicContact CG-CG2 3.66Å; I513-I622 PolarHBondContact O-N 3.08Å; Y514-I622 WeakPolarHBondContact CB-O 3.43Å; W583-I622 CarbonylContact O-C 3.53Å; W583-I622 VanDerWaalsContact O-C 3.32Å; E584-I622 HydrophobicContact CG-CG2 4.45Å; I622-F682 HydrophobicContact CD1-CE1 3.6Å; I622-F682 HydrophobicContact CD1-CZ 3.45Å; I622-F682 VanDerWaalsContact CD1-CZ 3.45Å
623	P	96.3	Very high	95.4	Very high	52 Å²	52	33.6 Å²	33.6	34%	0.338	17%	0.171	S	C	.	.			trans	-58.6	145.1	168.2	-22.7	34.8	0	0	0	110.7	A581 E584 P625	A581-P623 WeakPolarHBondContact O-CA 3.33Å; E584-P623 HydrophobicContact CB-CG 4.38Å; P623-P625 WeakPolarHBondContact O-CD 3.26Å; P623-P625 VanDerWaalsContact O-N 3.11Å
624	T	95.5	Very high	95.4	Very high	45 Å²	45	32.6 Å²	32.6	28%	0.276	17%	0.165	S	C	.	.			trans	-51.3	114.7	178.6	-65.1	0	0	0	0	111.4	Y514 Y515 A581 R630	Y514-T624 HydrophobicContact CD2-CG2 4.25Å; Y515-T624 WeakPolarHBondContact O-CG2 3.11Å; Y515-T624 PolarHBondContact O-OG1 2.73Å; A581-T624 PolarHBondContact O-N 2.79Å; A581-T624 PolarHBondContact O-OG1 2.94Å; T624-R630 VanDerWaalsContact CG2-CZ 3.46Å
625	P	95.1	Very high	95.4	Very high	10 Å²	10	26.7 Å²	26.7	7%	0.065	14%	0.139	C	C	.	.			trans	-70.1	162.7	-174	27.9	-32.6	0	0	0	111.3	Y514 P623 R627 R630 F682	Y514-P625 HydrophobicContact CD1-CG 3.94Å; Y514-P625 HydrophobicContact CD2-CG 4.15Å; Y514-P625 HydrophobicContact CE1-CG 3.78Å; Y514-P625 HydrophobicContact CE2-CG 3.98Å; Y514-P625 HydrophobicContact CG-CG 4.11Å; P623-P625 WeakPolarHBondContact O-CD 3.26Å; P623-P625 VanDerWaalsContact O-N 3.11Å; P625-R627 PolarHBondContact O-N 2.94Å; P625-R630 HydrophobicContact CG-CG 4.04Å; P625-R630 PolarHBondContact O-NE 2.75Å; P625-R630 PolarHBondContact O-NH2 2.72Å; P625-F682 HydrophobicContact CB-CD2 3.94Å; P625-F682 HydrophobicContact CB-CE2 3.72Å; P625-F682 HydrophobicContact CB-CZ 4.33Å; P625-F682 HydrophobicContact CG-CD2 3.85Å; P625-F682 HydrophobicContact CG-CE2 3.97Å; P625-F682 HydrophobicContact CG-CG 4.17Å; P625-F682 HydrophobicContact CG-CZ 4.39Å
626	P	94.5	Very high	95.2	Very high	86 Å²	86	27.9 Å²	27.9	56%	0.558	14%	0.144	S	C	*	.			trans	-55.8	140.8	175.6	-24.7	34.3	0	0	0	112.2	S628 K629	P626-S628 PolarHBondContact O-N 3.47Å; P626-S628 VanDerWaalsContact O-N 3.17Å; P626-K629 PolarHBondContact O-N 2.76Å
627	R	93.6	Very high	95	Very high	85 Å²	85	26.8 Å²	26.8	32%	0.321	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-52.7	-37.6	178.9	-176.6	-179.3	176.8	-138.9	-6.2	112.6	P625 K629 R630 A695 S696 Y698 G699 G725	P625-R627 PolarHBondContact O-N 2.94Å; R627-K629 PolarHBondContact O-N 3.34Å; R627-K629 VanDerWaalsContact O-N 3.12Å; R627-R630 PolarHBondContact O-N 3.31Å; R627-R630 VanDerWaalsContact O-N 3.09Å; R627-A695 PolarHBondContact NH2-O 3.24Å; R627-S696 WeakPolarHBondContact CD-O 3.33Å; R627-S696 PolarHBondContact NE-O 3.17Å; R627-Y698 VanDerWaalsContact CZ-O 3.26Å; R627-Y698 PolarHBondContact NE-O 3.48Å; R627-Y698 PolarHBondContact NH2-O 3.16Å; R627-G699 WeakPolarHBondContact O-CA 3.19Å; R627-G699 PolarHBondContact O-N 2.95Å; R627-G725 PolarHBondContact NH1-O 3.4Å; R627-G725 VanDerWaalsContact NH2-C 3.27Å; R627-G725 PolarHBondContact NH2-O 2.53Å
628	S	92.9	Very high	94.7	Very high	28 Å²	28	26.8 Å²	26.8	20%	0.196	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-64	-10.9	177.5	58.7	0	0	0	0	115.2	P626 S879	P626-S628 PolarHBondContact O-N 3.47Å; P626-S628 VanDerWaalsContact O-N 3.17Å; S628-S879 WeakPolarHBondContact O-CB 2.98Å; S628-S879 PolarHBondContact O-OG 2.99Å; S628-S879 VanDerWaalsContact O-OG 3.08Å
629	K	94.5	Very high	94.1	Very high	51 Å²	51	25.3 Å²	25.3	22%	0.222	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-106.7	-0.2	176.4	-73	-64.6	-165.2	174.2	0	113.1	P626 R627 M679 Y681 F682 Y880	P626-K629 PolarHBondContact O-N 2.76Å; R627-K629 PolarHBondContact O-N 3.34Å; R627-K629 VanDerWaalsContact O-N 3.12Å; K629-M679 PolarHBondContact NZ-O 3.11Å; K629-M679 VanDerWaalsContact NZ-O 3.08Å; K629-Y681 HydrophobicContact CD-CD1 3.92Å; K629-Y681 HydrophobicContact CD-CE1 3.91Å; K629-Y681 HydrophobicContact CD-CG 4.39Å; K629-Y681 CarbonylContact O-C 3.52Å; K629-Y681 WeakPolarHBondContact O-CA 3.07Å; K629-F682 PolarHBondContact O-N 2.98Å; K629-Y880 WeakPolarHBondContact CE-OH 3.25Å
630	R	95.9	Very high	92.9	Very high	18 Å²	18	26.4 Å²	26.4	7%	0.068	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	117.9	-178.5	-54.9	179.4	-154.7	168.3	19.7	109.9	Y514 T624 P625 R627 Q697 Y698 G699	Y514-R630 WeakPolarHBondContact OH-CD 3.08Å; Y514-R630 WeakPolarHBondContact OH-CG 3.39Å; T624-R630 VanDerWaalsContact CG2-CZ 3.46Å; P625-R630 HydrophobicContact CG-CG 4.04Å; P625-R630 PolarHBondContact O-NE 2.75Å; P625-R630 PolarHBondContact O-NH2 2.72Å; R627-R630 PolarHBondContact O-N 3.31Å; R627-R630 VanDerWaalsContact O-N 3.09Å; R630-Q697 VanDerWaalsContact CD-O 3.25Å; R630-Q697 WeakPolarHBondContact CD-O 3.5Å; R630-Q697 PolarHBondContact NH1-O 3.37Å; R630-Q697 VanDerWaalsContact NH1-OE1 3.14Å; R630-Y698 HydrophobicContact CB-CD1 4.11Å; R630-G699 PolarHBondContact O-N 2.64Å
631	V	96.4	Very high	91	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.1	-179.2	-177.6	0	0	0	0	108	Y681 F682 V683 E684 T700 L702 L875	V631-Y681 HydrophobicContact CG2-CD1 3.82Å; V631-Y681 HydrophobicContact CG2-CG 4.39Å; V631-F682 PolarHBondContact N-O 2.72Å; V631-V683 HydrophobicContact CB-CG1 4.42Å; V631-V683 HydrophobicContact CG1-CG1 4.42Å; V631-V683 WeakPolarHBondContact O-CA 3.43Å; V631-E684 PolarHBondContact O-N 3.29Å; V631-T700 WeakPolarHBondContact CA-O 3.25Å; V631-L702 HydrophobicContact CG1-CB 3.9Å; V631-L702 HydrophobicContact CG1-CD2 4.34Å; V631-L875 HydrophobicContact CG2-CD2 3.86Å
632	L	96.5	Very high	88.8	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124.5	174.5	-168.7	61.4	0	0	0	108.4	M518 E684 L686 F693 Y698 T700 L701 L702	M518-L632 HydrophobicContact CG-CD1 3.85Å; L632-E684 HydrophobicContact CD1-CB 4.09Å; L632-L686 HydrophobicContact CD1-CB 3.97Å; L632-L686 HydrophobicContact CD2-CB 4.27Å; L632-L686 HydrophobicContact CD2-CD1 4.47Å; L632-L686 HydrophobicContact CD2-CD2 4.09Å; L632-L686 HydrophobicContact CG-CB 4Å; L632-F693 HydrophobicContact CD2-CD1 4.19Å; L632-F693 HydrophobicContact CD2-CD2 3.55Å; L632-F693 HydrophobicContact CD2-CE1 4.23Å; L632-F693 HydrophobicContact CD2-CE2 3.61Å; L632-F693 HydrophobicContact CD2-CG 3.86Å; L632-F693 HydrophobicContact CD2-CZ 3.96Å; L632-Y698 HydrophobicContact CB-CD1 3.9Å; L632-Y698 HydrophobicContact CB-CE1 4.37Å; L632-Y698 HydrophobicContact CB-CG 4.11Å; L632-Y698 HydrophobicContact CD1-CD1 4.46Å; L632-Y698 HydrophobicContact CD1-CE1 4.08Å; L632-Y698 HydrophobicContact CD2-CD2 4.18Å; L632-Y698 HydrophobicContact CD2-CE2 4.33Å; L632-Y698 HydrophobicContact CD2-CG 4.38Å; L632-T700 PolarHBondContact N-O 2.91Å; L632-L701 HydrophobicContact CB-CD1 4.11Å; L632-L701 HydrophobicContact CD2-CD1 4.13Å; L632-L701 HydrophobicContact CG-CD1 4.12Å; L632-L702 PolarHBondContact O-N 2.95Å
633	W	95.8	Very high	86.9	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	126.5	173.7	171.6	-86.5	0	0	0	109.1	Q635 I665 F669 M672 V683 E684 L686 L702 V704	W633-Q635 VanDerWaalsContact NE1-OE1 3.15Å; W633-Q635 PolarHBondContact O-N 3.49Å; W633-I665 HydrophobicContact CB-CD1 4.32Å; W633-I665 HydrophobicContact CD2-CB 4.32Å; W633-I665 HydrophobicContact CD2-CD1 4.34Å; W633-I665 HydrophobicContact CE3-CD1 4.27Å; W633-I665 HydrophobicContact CG-CB 4.46Å; W633-I665 HydrophobicContact CG-CD1 4.37Å; W633-F669 HydrophobicContact CH2-CB 4.32Å; W633-F669 HydrophobicContact CH2-CD1 4.25Å; W633-F669 AromaticContact CH2-CD2 3.77Å; W633-F669 HydrophobicContact CH2-CD2 3.77Å; W633-F669 HydrophobicContact CH2-CE2 4.11Å; W633-F669 AromaticContact CH2-CG 3.84Å; W633-F669 HydrophobicContact CH2-CG 3.84Å; W633-F669 HydrophobicContact CH2-CZ 4.49Å; W633-F669 HydrophobicContact CZ2-CD2 4Å; W633-F669 HydrophobicContact CZ2-CE2 4.35Å; W633-F669 HydrophobicContact CZ2-CG 4.45Å; W633-M672 HydrophobicContact CE3-CE 4Å; W633-M672 HydrophobicContact CH2-CE 4.38Å; W633-M672 HydrophobicContact CZ3-CE 3.59Å; W633-M672 HydrophobicContact CZ3-SD 4.19Å; W633-V683 HydrophobicContact CB-CG1 4.32Å; W633-E684 WeakPolarHBondContact CB-O 3.48Å; W633-E684 PolarHBondContact N-O 2.85Å; W633-L686 WeakPolarHBondContact O-CB 3.42Å; W633-L686 PolarHBondContact O-N 2.68Å; W633-L702 HydrophobicContact CE3-CD2 3.89Å; W633-L702 HydrophobicContact CE3-CG 4.12Å; W633-L702 HydrophobicContact CZ3-CD2 4.16Å; W633-L702 HydrophobicContact CZ3-CG 4.4Å; W633-V704 HydrophobicContact CE3-CG2 4.19Å; W633-V704 HydrophobicContact CH2-CB 3.43Å; W633-V704 VanDerWaalsContact CH2-CB 3.43Å; W633-V704 HydrophobicContact CH2-CG1 3.97Å; W633-V704 HydrophobicContact CH2-CG2 3.73Å; W633-V704 HydrophobicContact CZ2-CB 4.3Å; W633-V704 HydrophobicContact CZ3-CB 3.63Å; W633-V704 HydrophobicContact CZ3-CG1 4.36Å; W633-V704 HydrophobicContact CZ3-CG2 3.32Å
634	D	94.8	Very high	85.4	Confident	2 Å²	2	23.6 Å²	23.6	1%	0.011	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	112.2	173	-177.8	17.2	0	0	0	110.9	Y636 H637 N638 F690 L701 L702 M703	D634-Y636 PolarHBondContact OD1-N 2.84Å; D634-Y636 VanDerWaalsContact OD1-N 3.16Å; D634-H637 VanDerWaalsContact CG-ND1 3.27Å; D634-H637 IonicContact OD1-CE1 3.15Å; D634-H637 IonicContact OD1-CG 2.95Å; D634-H637 PolarHBondContact OD1-N 3.31Å; D634-H637 IonicContact OD1-ND1 2.7Å; D634-H637 PolarHBondContact OD1-ND1 2.68Å; D634-H637 WeakPolarHBondContact OD2-CB 3.39Å; D634-H637 IonicContact OD2-CE1 3.52Å; D634-H637 IonicContact OD2-CG 2.65Å; D634-H637 IonicContact OD2-ND1 2.97Å; D634-H637 PolarHBondContact OD2-ND1 3.02Å; D634-N638 PolarHBondContact O-OD1 3.12Å; D634-F690 HydrophobicContact CB-CE1 4.22Å; D634-F690 WeakPolarHBondContact OD2-CE1 2.75Å; D634-F690 VanDerWaalsContact OD2-CZ 3.25Å; D634-F690 WeakPolarHBondContact OD2-CZ 3.23Å; D634-L701 HydrophobicContact CB-CD1 4.46Å; D634-L702 PolarHBondContact N-O 3Å; D634-L702 VanDerWaalsContact N-O 3.08Å; D634-M703 HydrophobicContact CB-CG 4.15Å
635	Q	93.2	Very high	84.5	Confident	2 Å²	2	21.5 Å²	21.5	1%	0.009	11%	0.111	C	C	.	.			trans	-105.4	-18.2	173.7	-172.8	61.8	62.1	0	0	112.2	L388 W633 H637 N638 D663 H664 V685 L686	L388-Q635 WeakPolarHBondContact O-CG 3.41Å; W633-Q635 VanDerWaalsContact NE1-OE1 3.15Å; W633-Q635 PolarHBondContact O-N 3.49Å; Q635-H637 VanDerWaalsContact C-N 3.27Å; Q635-H637 PolarHBondContact O-N 3.47Å; Q635-N638 WeakPolarHBondContact CA-OD1 3.27Å; Q635-N638 PolarHBondContact O-N 2.71Å; Q635-D663 PolarHBondContact NE2-O 3.17Å; Q635-D663 PolarHBondContact OE1-O 2.96Å; Q635-H664 VanDerWaalsContact CD-CD2 3.44Å; Q635-H664 PolarHBondContact OE1-CD2 3Å; Q635-V685 HydrophobicContact CB-CG1 3.55Å; Q635-V685 HydrophobicContact CG-CG1 3.99Å; Q635-L686 WeakPolarHBondContact CB-O 3.3Å; Q635-L686 PolarHBondContact N-O 2.95Å
636	Y	91.6	Very high	83.9	Confident	26 Å²	26	21 Å²	21	10%	0.102	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-27.8	-173.7	-175.7	-100.5	0	0	0	111.6	D634 L686 G687 P689 K918	D634-Y636 PolarHBondContact OD1-N 2.84Å; D634-Y636 VanDerWaalsContact OD1-N 3.16Å; Y636-L686 PolarHBondContact N-O 3.23Å; Y636-L686 VanDerWaalsContact N-O 3.11Å; Y636-G687 WeakPolarHBondContact CD2-O 3.41Å; Y636-P689 HydrophobicContact CD1-CG 4.34Å; Y636-P689 HydrophobicContact CE1-CB 4.32Å; Y636-P689 HydrophobicContact CE1-CG 3.75Å; Y636-P689 HydrophobicContact CE2-CG 4.33Å; Y636-K918 HydrophobicContact CD2-CD 4.45Å; Y636-K918 HydrophobicContact CE2-CD 4.04Å; Y636-K918 PolarHBondContact O-NZ 3.02Å
637	H	92.1	Very high	83.3	Confident	0 Å²	0	17 Å²	17	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	3.4	179.6	-57.1	96.9	0	0	0	114.7	D634 Q635 F690 E707 E708 E709 Y710 E714	D634-H637 VanDerWaalsContact CG-ND1 3.27Å; D634-H637 IonicContact OD1-CE1 3.15Å; D634-H637 IonicContact OD1-CG 2.95Å; D634-H637 PolarHBondContact OD1-N 3.31Å; D634-H637 IonicContact OD1-ND1 2.7Å; D634-H637 PolarHBondContact OD1-ND1 2.68Å; D634-H637 WeakPolarHBondContact OD2-CB 3.39Å; D634-H637 IonicContact OD2-CE1 3.52Å; D634-H637 IonicContact OD2-CG 2.65Å; D634-H637 IonicContact OD2-ND1 2.97Å; D634-H637 PolarHBondContact OD2-ND1 3.02Å; Q635-H637 VanDerWaalsContact C-N 3.27Å; Q635-H637 PolarHBondContact O-N 3.47Å; H637-F690 AromaticContact CE1-CD1 3.9Å; H637-F690 AromaticContact CE1-CE1 3.54Å; H637-F690 AromaticContact CE1-CE2 3.97Å; H637-F690 AromaticContact CE1-CZ 3.58Å; H637-F690 AromaticContact ND1-CE1 3.66Å; H637-F690 AromaticContact ND1-CZ 3.63Å; H637-E707 PolarHBondContact O-N 3.07Å; H637-E708 HydrophobicContact CB-CB 3.97Å; H637-E708 WeakPolarHBondContact O-CB 3.39Å; H637-E708 PolarHBondContact O-N 2.74Å; H637-E709 PolarHBondContact CD2-O 2.84Å; H637-Y710 HydrophobicContact CB-CE1 4.24Å; H637-Y710 AromaticContact CD2-CD1 3.58Å; H637-Y710 AromaticContact CD2-CE1 3.47Å; H637-Y710 VanDerWaalsContact CD2-CE1 3.47Å; H637-Y710 WeakPolarHBondContact CD2-CE1 3.09Å; H637-Y710 AromaticContact CE1-CD1 3.87Å; H637-Y710 AromaticContact CE1-CE1 3.78Å; H637-Y710 AromaticContact CG-CE1 3.57Å; H637-Y710 AromaticContact ND1-CE1 3.77Å; H637-Y710 AromaticContact NE2-CD1 3.42Å; H637-Y710 WeakPolarHBondContact NE2-CD1 3.44Å; H637-Y710 AromaticContact NE2-CE1 3.64Å; H637-E714 IonicContact CE1-OE1 3.67Å; H637-E714 PolarHBondContact CE1-OE1 2.92Å; H637-E714 IonicContact NE2-OE1 3.62Å; H637-E714 PolarHBondContact NE2-OE1 2.93Å; H637-E714 IonicContact NE2-OE2 2.84Å
638	N	89	Confident	82.9	Confident	2 Å²	2	13.4 Å²	13.4	1%	0.011	7%	0.068	C	C	.	.			trans	-80.8	133	162.6	-54.7	93.6	0	0	0	108.6	D634 Q635 D663 V704 D705 K918	D634-N638 PolarHBondContact O-OD1 3.12Å; Q635-N638 WeakPolarHBondContact CA-OD1 3.27Å; Q635-N638 PolarHBondContact O-N 2.71Å; N638-D663 HydrophobicContact CB-CB 4.27Å; N638-V704 PolarHBondContact ND2-O 3.2Å; N638-D705 PolarHBondContact ND2-O 2.89Å; N638-K918 PolarHBondContact O-NZ 3.19Å
639	L	82.7	Confident	82.5	Confident	7 Å²	7	12.2 Å²	12.2	4%	0.037	6%	0.06	C	C	.	.			trans	-86.5	169.2	165.9	-63	176.3	0	0	0	107.2	F646 E707 E708 L913	L639-F646 HydrophobicContact CB-CE2 4.07Å; L639-F646 HydrophobicContact CB-CZ 4.02Å; L639-F646 HydrophobicContact CD1-CE1 3.82Å; L639-F646 HydrophobicContact CD1-CE2 4.48Å; L639-F646 HydrophobicContact CD1-CZ 3.62Å; L639-F646 HydrophobicContact CG-CZ 4.46Å; L639-E707 VanDerWaalsContact CA-OE2 3.29Å; L639-E707 WeakPolarHBondContact CA-OE2 2.98Å; L639-E707 HydrophobicContact CB-CB 4.12Å; L639-E707 VanDerWaalsContact CB-OE2 3.25Å; L639-E707 WeakPolarHBondContact CB-OE2 3.33Å; L639-E707 HydrophobicContact CD1-CB 4.12Å; L639-E707 HydrophobicContact CG-CB 4.05Å; L639-E707 PolarHBondContact N-OE2 3.08Å; L639-E708 HydrophobicContact CD2-CB 4.28Å; L639-E708 HydrophobicContact CD2-CG 4.43Å; L639-E708 VanDerWaalsContact CD2-OE2 3.26Å; L639-E708 WeakPolarHBondContact CD2-OE2 2.99Å; L639-E708 HydrophobicContact CG-CB 4.25Å; L639-L913 HydrophobicContact CD1-CD1 3.62Å
640	R	70.4	Confident	82.1	Confident	24 Å²	24	10.1 Å²	10.1	9%	0.091	5%	0.051	C	C	.	.			trans	-129	134.4	173.1	164.8	167.5	179.5	-89.5	10.7	107.1	T385 P389 P643	T385-R640 WeakPolarHBondContact O-CD 3.39Å; T385-R640 PolarHBondContact O-NE 2.65Å; T385-R640 VanDerWaalsContact O-NE 3.16Å; T385-R640 VanDerWaalsContact OG1-CZ 3.31Å; T385-R640 PolarHBondContact OG1-NE 2.66Å; T385-R640 PolarHBondContact OG1-NH2 3.14Å; P389-R640 HydrophobicContact CG-CB 3.79Å; R640-P643 WeakPolarHBondContact O-CD 3.28Å; R640-P643 VanDerWaalsContact O-CG 3.23Å; R640-P643 WeakPolarHBondContact O-CG 3.34Å
641	Y	57.3	Low	81.6	Confident	30 Å²	30	10.4 Å²	10.4	12%	0.118	5%	0.053	C	C	.	.	S	Bend	trans	-62.4	140.6	165	-175.8	-99.5	0	0	0	112.9	P643 G644 L658 D659 W660	Y641-P643 VanDerWaalsContact C-CD 3.46Å; Y641-G644 VanDerWaalsContact CD2-O 3.31Å; Y641-G644 WeakPolarHBondContact CD2-O 3.05Å; Y641-L658 HydrophobicContact CD2-CD2 4.23Å; Y641-L658 HydrophobicContact CE1-CD1 3.99Å; Y641-L658 HydrophobicContact CE2-CB 4.43Å; Y641-L658 HydrophobicContact CE2-CD1 3.96Å; Y641-L658 HydrophobicContact CE2-CD2 3.64Å; Y641-L658 HydrophobicContact CE2-CG 4.2Å; Y641-L658 VanDerWaalsContact CZ-CD1 3.47Å; Y641-L658 VanDerWaalsContact OH-CD1 3.26Å; Y641-L658 WeakPolarHBondContact OH-CD1 3.4Å; Y641-D659 WeakPolarHBondContact CB-O 3.02Å; Y641-W660 HydrophobicContact CD1-CB 3.74Å; Y641-W660 HydrophobicContact CE1-CB 4.39Å; Y641-W660 HydrophobicContact CG-CB 4.49Å
642	P	50.3	Low	81	Confident	20 Å²	20	15.5 Å²	15.5	13%	0.13	7%	0.073	C	C	.	.	S	Bend	cis	-119.7	31.4	20.3	47.2	-42	0	0	0	119	F321 G644	F321-P642 HydrophobicContact CB-CG 3.67Å; F321-P642 HydrophobicContact CD2-CG 4.41Å; F321-P642 WeakPolarHBondContact O-CG 3.21Å; P642-G644 PolarHBondContact O-N 2.83Å
643	P	55.6	Low	80.1	Confident	58 Å²	58	18.6 Å²	18.6	38%	0.377	9%	0.088	S	C	.	.	S	Bend	trans	-61.6	-36.7	179	35.4	-35.3	0	0	0	109.3	R640 Y641 F646 Y916	R640-P643 WeakPolarHBondContact O-CD 3.28Å; R640-P643 VanDerWaalsContact O-CG 3.23Å; R640-P643 WeakPolarHBondContact O-CG 3.34Å; Y641-P643 VanDerWaalsContact C-CD 3.46Å; P643-F646 HydrophobicContact CG-CE2 4.48Å; P643-Y916 HydrophobicContact CB-CD1 3.36Å; P643-Y916 HydrophobicContact CB-CE1 3.91Å; P643-Y916 HydrophobicContact CB-CG 3.72Å; P643-Y916 HydrophobicContact CG-CD1 4.23Å; P643-Y916 HydrophobicContact CG-CG 4.09Å; P643-Y916 WeakPolarHBondContact O-CE1 3.38Å; P643-Y916 VanDerWaalsContact O-CE2 3.28Å; P643-Y916 WeakPolarHBondContact O-CE2 3.45Å; P643-Y916 PolarHBondContact O-OH 3.09Å
644	G	64.9	Low	79	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-130.4	178.4	172.8	0	0	0	0	0	115.4	Y641 P642 F646 D757	Y641-G644 VanDerWaalsContact CD2-O 3.31Å; Y641-G644 WeakPolarHBondContact CD2-O 3.05Å; P642-G644 PolarHBondContact O-N 2.83Å; G644-F646 PolarHBondContact O-N 2.77Å; G644-D757 WeakPolarHBondContact CA-OD2 3.46Å
645	Y	77.8	Confident	77.5	Confident	1 Å²	1	34.9 Å²	34.9	0%	0.004	17%	0.166	C	C	.	.			trans	-88.2	105.5	172.9	172.3	-156.5	0	0	0	110	P647 P657 L658 V743 F745 W754 P756 D757	Y645-P647 HydrophobicContact CE2-CB 3.93Å; Y645-P657 HydrophobicContact CE2-CB 4.36Å; Y645-L658 HydrophobicContact CD2-CD2 3.38Å; Y645-L658 HydrophobicContact CE2-CD2 3.7Å; Y645-L658 HydrophobicContact CG-CD2 4.37Å; Y645-V743 PolarHBondContact OH-O 2.82Å; Y645-V743 VanDerWaalsContact OH-O 3.05Å; Y645-F745 HydrophobicContact CD1-CD1 4.31Å; Y645-F745 AromaticContact CD1-CE1 3.87Å; Y645-F745 HydrophobicContact CD1-CE1 3.87Å; Y645-F745 HydrophobicContact CD2-CE1 4.08Å; Y645-F745 AromaticContact CE1-CD1 3.62Å; Y645-F745 HydrophobicContact CE1-CD1 3.62Å; Y645-F745 AromaticContact CE1-CE1 3.54Å; Y645-F745 HydrophobicContact CE1-CE1 3.54Å; Y645-F745 HydrophobicContact CE2-CD1 4.36Å; Y645-F745 AromaticContact CE2-CE1 3.77Å; Y645-F745 HydrophobicContact CE2-CE1 3.77Å; Y645-F745 HydrophobicContact CG-CE1 4.14Å; Y645-F745 AromaticContact CZ-CD1 3.66Å; Y645-F745 AromaticContact CZ-CE1 3.49Å; Y645-F745 VanDerWaalsContact CZ-CE1 3.49Å; Y645-W754 HydrophobicContact CD1-CB 3.87Å; Y645-W754 HydrophobicContact CG-CB 4.39Å; Y645-P756 HydrophobicContact CD1-CB 4.23Å; Y645-P756 HydrophobicContact CD1-CG 3.82Å; Y645-P756 VanDerWaalsContact CD1-N 3.32Å; Y645-P756 HydrophobicContact CE1-CB 4.34Å; Y645-P756 HydrophobicContact CE1-CG 3.51Å; Y645-P756 WeakPolarHBondContact O-CA 3.39Å; Y645-D757 PolarHBondContact N-OD2 3.1Å; Y645-D757 PolarHBondContact O-N 3.06Å
646	F	82.3	Confident	76.2	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.177	C	C	.	.			trans	-106.2	112.3	171	-54.4	-60.2	0	0	0	108.2	L639 P643 G644 D659 E707 D757 T758 L913 Y916	L639-F646 HydrophobicContact CB-CE2 4.07Å; L639-F646 HydrophobicContact CB-CZ 4.02Å; L639-F646 HydrophobicContact CD1-CE1 3.82Å; L639-F646 HydrophobicContact CD1-CE2 4.48Å; L639-F646 HydrophobicContact CD1-CZ 3.62Å; L639-F646 HydrophobicContact CG-CZ 4.46Å; P643-F646 HydrophobicContact CG-CE2 4.48Å; G644-F646 PolarHBondContact O-N 2.77Å; F646-D659 PolarHBondContact O-N 2.88Å; F646-E707 WeakPolarHBondContact CB-OE1 3.28Å; F646-D757 HydrophobicContact CE1-CB 4.08Å; F646-T758 HydrophobicContact CD1-CG2 3.49Å; F646-T758 VanDerWaalsContact CD1-CG2 3.49Å; F646-T758 HydrophobicContact CE1-CG2 3.85Å; F646-L913 HydrophobicContact CE1-CD1 4.02Å; F646-L913 HydrophobicContact CZ-CD1 4.42Å; F646-Y916 HydrophobicContact CZ-CD2 4.45Å
647	P	82.1	Confident	75.2	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.013	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-76	151.8	-177.7	34	-35.1	0	0	0	110.3	Y645 P657 W734 P756 T758 G759	Y645-P647 HydrophobicContact CE2-CB 3.93Å; P647-P657 CarbonylContact C-O 3.57Å; P647-P657 VanDerWaalsContact CA-O 3.23Å; P647-P657 WeakPolarHBondContact CA-O 3.3Å; P647-W734 HydrophobicContact CB-CH2 4.32Å; P647-W734 HydrophobicContact CB-CZ2 3.81Å; P647-W734 HydrophobicContact CG-CH2 3.84Å; P647-W734 HydrophobicContact CG-CZ2 3.48Å; P647-W734 VanDerWaalsContact CG-CZ2 3.48Å; P647-P756 HydrophobicContact CG-CB 4.13Å; P647-T758 WeakPolarHBondContact CD-O 3.46Å; P647-G759 WeakPolarHBondContact CD-O 3.29Å
648	R	83.7	Confident	74.3	Confident	10 Å²	10	38.9 Å²	38.9	4%	0.038	19%	0.191	C	C	.	.			trans	-60.5	155	173.4	-72.6	-165.8	177.6	-93.5	2.2	113.2	N650 D656 P657 L658 W734 S861 H862	R648-N650 PolarHBondContact O-N 3.07Å; R648-D656 WeakPolarHBondContact CD-O 3.4Å; R648-D656 IonicContact CZ-OD2 2.91Å; R648-D656 PolarHBondContact NE-O 2.81Å; R648-D656 VanDerWaalsContact NE-O 3.11Å; R648-D656 IonicContact NE-OD2 3.68Å; R648-D656 PolarHBondContact NE-OD2 3.08Å; R648-D656 IonicContact NH2-OD2 2.81Å; R648-D656 PolarHBondContact NH2-OD2 3.26Å; R648-P657 PolarHBondContact N-O 3.16Å; R648-L658 WeakPolarHBondContact CG-O 3.27Å; R648-L658 PolarHBondContact NE-O 3Å; R648-W734 PolarHBondContact O-NE1 3.29Å; R648-S861 PolarHBondContact NH1-OG 3.4Å; R648-H862 PolarHBondContact NE-NE2 3.04Å; R648-H862 PolarHBondContact NH1-CD2 2.93Å; R648-H862 PolarHBondContact NH1-NE2 3.06Å; R648-H862 PolarHBondContact NH2-NE2 2.93Å
649	D	85.1	Confident	73.6	Confident	3 Å²	3	39 Å²	39	2%	0.016	19%	0.192	C	C	.	.	S	Bend	trans	-55.5	-49.2	172.1	-53.9	-18.7	0	0	0	111.6	L651 W734 S797 N856	D649-L651 PolarHBondContact O-N 2.76Å; D649-W734 PolarHBondContact O-NE1 3.03Å; D649-W734 VanDerWaalsContact O-NE1 3.13Å; D649-S797 WeakPolarHBondContact O-CB 3.35Å; D649-N856 HydrophobicContact CB-CB 4.02Å
650	N	86.3	Confident	73.1	Confident	7 Å²	7	40.3 Å²	40.3	4%	0.037	20%	0.197	C	C	.	.			trans	-91.7	103.5	-176.5	-168.9	-20.9	0	0	0	112.9	R648 R652 M653	R648-N650 PolarHBondContact O-N 3.07Å; N650-R652 PolarHBondContact O-N 2.74Å; N650-R652 WeakPolarHBondContact OD1-CB 3.42Å; N650-R652 PolarHBondContact OD1-N 2.77Å; N650-M653 HydrophobicContact CB-CG 4.3Å; N650-M653 WeakPolarHBondContact O-CB 2.99Å; N650-M653 PolarHBondContact O-N 3.45Å
651	L	85.8	Confident	73.3	Confident	23 Å²	23	39.3 Å²	39.3	12%	0.12	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-11.4	-179.2	-71.4	170.6	0	0	0	115.1	D649 M653 W734 V739 V743 L781 S797	D649-L651 PolarHBondContact O-N 2.76Å; L651-M653 PolarHBondContact O-N 2.97Å; L651-W734 HydrophobicContact CD1-CD2 3.92Å; L651-W734 HydrophobicContact CD1-CE3 4.21Å; L651-W734 HydrophobicContact CD1-CG 4.31Å; L651-W734 HydrophobicContact CD1-CZ2 4.33Å; L651-W734 HydrophobicContact CD2-CD2 4.5Å; L651-W734 HydrophobicContact CD2-CH2 3.91Å; L651-W734 HydrophobicContact CD2-CZ2 3.44Å; L651-W734 VanDerWaalsContact CD2-CZ2 3.44Å; L651-W734 HydrophobicContact CG-CD2 4.31Å; L651-W734 HydrophobicContact CG-CZ2 4.07Å; L651-V739 HydrophobicContact CD1-CG1 3.96Å; L651-V743 HydrophobicContact CD2-CG1 4.34Å; L651-V743 HydrophobicContact CD2-CG2 4.09Å; L651-L781 HydrophobicContact CD1-CD1 4.01Å; L651-L781 HydrophobicContact CD1-CD2 3.32Å; L651-L781 HydrophobicContact CD1-CG 4.3Å; L651-S797 WeakPolarHBondContact CB-OG 3.35Å; L651-S797 PolarHBondContact N-OG 2.88Å; L651-S797 VanDerWaalsContact N-OG 3.14Å
652	R	84.3	Confident	74.1	Confident	109 Å²	109	38 Å²	38	41%	0.411	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-20.9	171.7	-69.7	-157.9	177.4	-85	-15.6	112.6	N650 K654 E783 E821	N650-R652 PolarHBondContact O-N 2.74Å; N650-R652 WeakPolarHBondContact OD1-CB 3.42Å; N650-R652 PolarHBondContact OD1-N 2.77Å; R652-K654 PolarHBondContact O-N 3.04Å; R652-E783 IonicContact CZ-OE1 3.51Å; R652-E783 VanDerWaalsContact CZ-OE1 3.28Å; R652-E783 IonicContact CZ-OE2 3.32Å; R652-E783 IonicContact NE-OE1 2.74Å; R652-E783 PolarHBondContact NE-OE1 2.86Å; R652-E783 IonicContact NE-OE2 3.77Å; R652-E783 PolarHBondContact NE-OE2 2.9Å; R652-E783 VanDerWaalsContact NH2-CD 3.27Å; R652-E783 IonicContact NH2-OE1 3.25Å; R652-E783 PolarHBondContact NH2-OE1 2.9Å; R652-E783 VanDerWaalsContact NH2-OE1 3.09Å; R652-E783 IonicContact NH2-OE2 2.7Å; R652-E783 PolarHBondContact NH2-OE2 3.06Å; R652-E821 IonicContact NH2-OE2 2.95Å
653	M	77.9	Confident	75.8	Confident	65 Å²	65	37.1 Å²	37.1	32%	0.32	18%	0.183	S	C	.	.			trans	-79.9	65	-176.6	-65.5	-59	-61.5	0	0	112.6	N650 L651 N655 D656 H862	N650-M653 HydrophobicContact CB-CG 4.3Å; N650-M653 WeakPolarHBondContact O-CB 2.99Å; N650-M653 PolarHBondContact O-N 3.45Å; L651-M653 PolarHBondContact O-N 2.97Å; M653-N655 PolarHBondContact O-N 3.2Å; M653-D656 PolarHBondContact O-N 2.9Å; M653-H862 VanDerWaalsContact CE-ND1 3.27Å; M653-H862 WeakPolarHBondContact CE-ND1 3.22Å; M653-H862 HydrophobicContact CG-CB 4.29Å
654	K	71.1	Confident	77.5	Confident	178 Å²	178	34.3 Å²	34.3	77%	0.774	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.5	-175.6	-63.5	-178.4	-178.9	179.1	0	115.2	R652	R652-K654 PolarHBondContact O-N 3.04Å
655	N	63.1	Low	78.8	Confident	165 Å²	165	34.4 Å²	34.4	88%	0.882	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-17.2	-175	-65.8	-14.4	0	0	0	113.1	M653	M653-N655 PolarHBondContact O-N 3.2Å
656	D	67.7	Low	79.5	Confident	44 Å²	44	34.6 Å²	34.6	24%	0.235	17%	0.166	C	C	.	.			trans	-141.5	84.1	178.5	-175.8	12.3	0	0	0	108.6	R648 M653 L658 W660	R648-D656 WeakPolarHBondContact CD-O 3.4Å; R648-D656 IonicContact CZ-OD2 2.91Å; R648-D656 PolarHBondContact NE-O 2.81Å; R648-D656 VanDerWaalsContact NE-O 3.11Å; R648-D656 IonicContact NE-OD2 3.68Å; R648-D656 PolarHBondContact NE-OD2 3.08Å; R648-D656 IonicContact NH2-OD2 2.81Å; R648-D656 PolarHBondContact NH2-OD2 3.26Å; M653-D656 PolarHBondContact O-N 2.9Å; D656-L658 PolarHBondContact O-N 3.32Å; D656-W660 PolarHBondContact OD2-NE1 2.92Å
657	P	69.3	Low	79.8	Confident	40 Å²	40	34.8 Å²	34.8	26%	0.26	17%	0.167	S	C	.	.			trans	-74.4	-10.1	-170.7	27.9	-32.6	0	0	0	113.7	Y645 P647 R648 F745	Y645-P657 HydrophobicContact CE2-CB 4.36Å; P647-P657 CarbonylContact C-O 3.57Å; P647-P657 VanDerWaalsContact CA-O 3.23Å; P647-P657 WeakPolarHBondContact CA-O 3.3Å; R648-P657 PolarHBondContact N-O 3.16Å; P657-F745 HydrophobicContact CG-CD1 4.42Å; P657-F745 HydrophobicContact CG-CE1 4.29Å
658	L	72.7	Confident	80.1	Confident	28 Å²	28	34.7 Å²	34.7	15%	0.147	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-102	142.2	-168.2	-60.2	168.1	0	0	0	111.5	Y641 Y645 R648 D656 F745	Y641-L658 HydrophobicContact CD2-CD2 4.23Å; Y641-L658 HydrophobicContact CE1-CD1 3.99Å; Y641-L658 HydrophobicContact CE2-CB 4.43Å; Y641-L658 HydrophobicContact CE2-CD1 3.96Å; Y641-L658 HydrophobicContact CE2-CD2 3.64Å; Y641-L658 HydrophobicContact CE2-CG 4.2Å; Y641-L658 VanDerWaalsContact CZ-CD1 3.47Å; Y641-L658 VanDerWaalsContact OH-CD1 3.26Å; Y641-L658 WeakPolarHBondContact OH-CD1 3.4Å; Y645-L658 HydrophobicContact CD2-CD2 3.38Å; Y645-L658 HydrophobicContact CE2-CD2 3.7Å; Y645-L658 HydrophobicContact CG-CD2 4.37Å; R648-L658 WeakPolarHBondContact CG-O 3.27Å; R648-L658 PolarHBondContact NE-O 3Å; D656-L658 PolarHBondContact O-N 3.32Å; L658-F745 HydrophobicContact CD2-CE1 4.46Å
659	D	75.3	Confident	80.5	Confident	4 Å²	4	34.2 Å²	34.2	2%	0.021	17%	0.165	C	C	.	.			trans	-90.5	100.4	163.8	-150.8	-41.6	0	0	0	111.8	Y641 F646 N661	Y641-D659 WeakPolarHBondContact CB-O 3.02Å; F646-D659 PolarHBondContact O-N 2.88Å; D659-N661 PolarHBondContact OD1-N 3.42Å; D659-N661 VanDerWaalsContact OD1-N 3.17Å
660	W	71.7	Confident	80.8	Confident	36 Å²	36	36.6 Å²	36.6	14%	0.136	17%	0.174	C	C	.	.			trans	-110.7	1.8	-176.8	58.1	-72.7	0	0	0	113	D347 T353 Y641 D656 G662	D347-W660 HydrophobicContact CB-CH2 3.45Å; D347-W660 VanDerWaalsContact CB-CH2 3.45Å; D347-W660 HydrophobicContact CB-CZ2 4.31Å; D347-W660 HydrophobicContact CB-CZ3 4.28Å; T353-W660 HydrophobicContact CG2-CH2 4.4Å; T353-W660 HydrophobicContact CG2-CZ3 4.43Å; Y641-W660 HydrophobicContact CD1-CB 3.74Å; Y641-W660 HydrophobicContact CE1-CB 4.39Å; Y641-W660 HydrophobicContact CG-CB 4.49Å; D656-W660 PolarHBondContact OD2-NE1 2.92Å; W660-G662 VanDerWaalsContact C-N 3.29Å; W660-G662 PolarHBondContact O-N 2.64Å
661	N	76	Confident	81.1	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.011	19%	0.187	C	C	.	.	S	Bend	trans	-83	-10	-174.7	-72.7	77.9	0	0	0	112.9	D659 T667 N668	D659-N661 PolarHBondContact OD1-N 3.42Å; D659-N661 VanDerWaalsContact OD1-N 3.17Å; N661-T667 WeakPolarHBondContact O-CB 3.49Å; N661-T667 PolarHBondContact O-OG1 3.03Å; N661-T667 VanDerWaalsContact O-OG1 3.09Å; N661-N668 HydrophobicContact CB-CB 3.89Å
662	G	73.6	Confident	81.6	Confident	2 Å²	2	38 Å²	38	2%	0.021	18%	0.181	C	C	.	.			trans	79.6	22.1	165.6	0	0	0	0	0	115	W660 H664	W660-G662 VanDerWaalsContact C-N 3.29Å; W660-G662 PolarHBondContact O-N 2.64Å; G662-H664 PolarHBondContact O-N 2.64Å; G662-H664 VanDerWaalsContact O-N 3.16Å
663	D	85.2	Confident	82.1	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.011	16%	0.163	C	C	.	.			trans	31.7	67.2	168.7	-53	-49.2	0	0	0	114.2	Q635 N638 N668 F669	Q635-D663 PolarHBondContact NE2-O 3.17Å; Q635-D663 PolarHBondContact OE1-O 2.96Å; N638-D663 HydrophobicContact CB-CB 4.27Å; D663-N668 VanDerWaalsContact CA-OD1 3.26Å; D663-N668 WeakPolarHBondContact CA-OD1 3.34Å; D663-N668 PolarHBondContact N-OD1 3.16Å; D663-N668 PolarHBondContact OD1-ND2 3.36Å; D663-F669 HydrophobicContact CB-CE2 4.14Å
664	H	91.2	Very high	82.9	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.			trans	-133.4	144.2	-177.8	-168.7	-73.6	0	0	0	110.3	L388 G391 Q635 G662 H666 T667 N668 F669	L388-H664 HydrophobicContact CD1-CB 3.99Å; L388-H664 HydrophobicContact CD2-CB 4.34Å; G391-H664 PolarHBondContact O-NE2 3.04Å; Q635-H664 VanDerWaalsContact CD-CD2 3.44Å; Q635-H664 PolarHBondContact OE1-CD2 3Å; G662-H664 PolarHBondContact O-N 2.64Å; G662-H664 VanDerWaalsContact O-N 3.16Å; H664-H666 AromaticContact CE1-CD2 3.38Å; H664-H666 PolarHBondContact CE1-CD2 3.17Å; H664-H666 AromaticContact CE1-CG 3.8Å; H664-H666 AromaticContact ND1-CD2 3.83Å; H664-H666 AromaticContact ND1-CG 3.78Å; H664-H666 PolarHBondContact ND1-N 3.49Å; H664-H666 PolarHBondContact O-N 2.99Å; H664-T667 HydrophobicContact CB-CG2 4.29Å; H664-T667 WeakPolarHBondContact CB-OG1 3.39Å; H664-T667 PolarHBondContact N-OG1 3.14Å; H664-T667 PolarHBondContact O-N 3.23Å; H664-T667 PolarHBondContact O-OG1 3.48Å; H664-T667 VanDerWaalsContact O-OG1 3.1Å; H664-N668 PolarHBondContact N-OD1 3.49Å; H664-N668 VanDerWaalsContact N-OD1 3.14Å; H664-F669 PolarHBondContact O-N 3.03Å
665	I	92.6	Very high	84	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-4.2	177.6	-165.2	158.9	0	0	0	115.4	W633 M672 Y673 V683 V685	W633-I665 HydrophobicContact CB-CD1 4.32Å; W633-I665 HydrophobicContact CD2-CB 4.32Å; W633-I665 HydrophobicContact CD2-CD1 4.34Å; W633-I665 HydrophobicContact CE3-CD1 4.27Å; W633-I665 HydrophobicContact CG-CB 4.46Å; W633-I665 HydrophobicContact CG-CD1 4.37Å; I665-M672 HydrophobicContact CD1-CE 3.89Å; I665-M672 HydrophobicContact CG1-CE 3.97Å; I665-Y673 HydrophobicContact CD1-CD2 3.66Å; I665-Y673 HydrophobicContact CD1-CG 4.43Å; I665-Y673 HydrophobicContact CG1-CD2 3.58Å; I665-Y673 HydrophobicContact CG1-CG 3.92Å; I665-Y673 VanDerWaalsContact O-CB 3.25Å; I665-Y673 WeakPolarHBondContact O-CB 3.42Å; I665-V683 HydrophobicContact CD1-CB 4.06Å; I665-V683 HydrophobicContact CD1-CG1 3.3Å; I665-V685 HydrophobicContact CG2-CG2 3.65Å
666	H	91.9	Very high	85.6	Confident	5 Å²	5	19.4 Å²	19.4	2%	0.023	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.5	2.3	-179.4	-57.1	-28.7	0	0	0	112.4	M383 Y392 W506 P507 H664 Y673	M383-H666 HydrophobicContact CE-CB 3.82Å; Y392-H666 AromaticContact CE1-CD2 3.6Å; Y392-H666 AromaticContact CE1-NE2 3.65Å; W506-H666 HydrophobicContact CH2-CB 3.99Å; P507-H666 HydrophobicContact CG-CB 4.45Å; P507-H666 WeakPolarHBondContact CG-CD2 3.37Å; H664-H666 AromaticContact CE1-CD2 3.38Å; H664-H666 PolarHBondContact CE1-CD2 3.17Å; H664-H666 AromaticContact CE1-CG 3.8Å; H664-H666 AromaticContact ND1-CD2 3.83Å; H664-H666 AromaticContact ND1-CG 3.78Å; H664-H666 PolarHBondContact ND1-N 3.49Å; H664-H666 PolarHBondContact O-N 2.99Å; H666-Y673 AromaticContact CE1-CD2 3.95Å; H666-Y673 AromaticContact CE1-CE1 3.94Å; H666-Y673 AromaticContact CE1-CE2 3.73Å; H666-Y673 AromaticContact CE1-CZ 3.71Å
667	T	90	Very high	86.9	Confident	4 Å²	4	19.5 Å²	19.5	3%	0.025	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-93.5	173.1	53.7	0	0	0	0	110.1	L388 N661 H664 R670	L388-T667 HydrophobicContact CD1-CG2 3.86Å; N661-T667 WeakPolarHBondContact O-CB 3.49Å; N661-T667 PolarHBondContact O-OG1 3.03Å; N661-T667 VanDerWaalsContact O-OG1 3.09Å; H664-T667 HydrophobicContact CB-CG2 4.29Å; H664-T667 WeakPolarHBondContact CB-OG1 3.39Å; H664-T667 PolarHBondContact N-OG1 3.14Å; H664-T667 PolarHBondContact O-N 3.23Å; H664-T667 PolarHBondContact O-OG1 3.48Å; H664-T667 VanDerWaalsContact O-OG1 3.1Å; T667-R670 WeakPolarHBondContact O-CB 3.49Å
668	N	87.8	Confident	88.1	Confident	1 Å²	1	21.8 Å²	21.8	1%	0.005	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-23	-176.1	64.7	-41.2	0	0	0	113	N661 D663 H664 R670 D859 D860	N661-N668 HydrophobicContact CB-CB 3.89Å; D663-N668 VanDerWaalsContact CA-OD1 3.26Å; D663-N668 WeakPolarHBondContact CA-OD1 3.34Å; D663-N668 PolarHBondContact N-OD1 3.16Å; D663-N668 PolarHBondContact OD1-ND2 3.36Å; H664-N668 PolarHBondContact N-OD1 3.49Å; H664-N668 VanDerWaalsContact N-OD1 3.14Å; N668-R670 VanDerWaalsContact C-N 3.31Å; N668-R670 PolarHBondContact O-N 2.87Å; N668-D859 VanDerWaalsContact CB-OD1 3.25Å; N668-D859 WeakPolarHBondContact CB-OD1 3.26Å; N668-D860 WeakPolarHBondContact O-CB 3.39Å; N668-D860 PolarHBondContact O-N 2.81Å
669	F	92.5	Very high	89.1	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	27.5	172.3	-64.7	-76.4	0	0	0	113.4	W633 D663 H664 M672 Y673 V704 L858 D859	W633-F669 HydrophobicContact CH2-CB 4.32Å; W633-F669 HydrophobicContact CH2-CD1 4.25Å; W633-F669 AromaticContact CH2-CD2 3.77Å; W633-F669 HydrophobicContact CH2-CD2 3.77Å; W633-F669 HydrophobicContact CH2-CE2 4.11Å; W633-F669 AromaticContact CH2-CG 3.84Å; W633-F669 HydrophobicContact CH2-CG 3.84Å; W633-F669 HydrophobicContact CH2-CZ 4.49Å; W633-F669 HydrophobicContact CZ2-CD2 4Å; W633-F669 HydrophobicContact CZ2-CE2 4.35Å; W633-F669 HydrophobicContact CZ2-CG 4.45Å; D663-F669 HydrophobicContact CB-CE2 4.14Å; H664-F669 PolarHBondContact O-N 3.03Å; F669-M672 HydrophobicContact CB-CE 4.11Å; F669-Y673 PolarHBondContact O-N 2.82Å; F669-Y673 VanDerWaalsContact O-N 3.09Å; F669-V704 HydrophobicContact CD1-CG1 4.49Å; F669-V704 HydrophobicContact CE1-CG1 3.71Å; F669-V704 HydrophobicContact CZ-CG1 3.74Å; F669-L858 HydrophobicContact CD1-CB 3.86Å; F669-L858 HydrophobicContact CE1-CB 3.82Å; F669-D859 HydrophobicContact CE1-CB 4.11Å; F669-D859 HydrophobicContact CZ-CB 4.47Å
670	R	91.8	Very high	90	Very high	53 Å²	53	25.7 Å²	25.7	20%	0.2	14%	0.137	C	C	.	.	H	α-helix	trans	-71.8	-40.9	-170.3	176.3	179	-179.4	-137	-0	112.6	Y351 W506 T667 N668 M672 Y673 Q674 D860	Y351-R670 PolarHBondContact OH-NH2 2.52Å; W506-R670 HydrophobicContact CH2-CG 3.78Å; W506-R670 HydrophobicContact CZ2-CG 3.75Å; W506-R670 VanDerWaalsContact CZ2-NE 3.32Å; T667-R670 WeakPolarHBondContact O-CB 3.49Å; N668-R670 VanDerWaalsContact C-N 3.31Å; N668-R670 PolarHBondContact O-N 2.87Å; R670-M672 VanDerWaalsContact C-N 3.35Å; R670-Y673 WeakPolarHBondContact O-CB 3.35Å; R670-Y673 PolarHBondContact O-N 2.88Å; R670-Q674 WeakPolarHBondContact O-CG 3.36Å; R670-Q674 PolarHBondContact O-N 3.34Å; R670-D860 PolarHBondContact N-OD2 3.14Å; R670-D860 VanDerWaalsContact N-OD2 3.17Å
671	D	92.6	Very high	91.1	Very high	60 Å²	60	24.2 Å²	24.2	32%	0.321	13%	0.131	S	C	.	.	H	α-helix	trans	-70.3	-36.4	178.6	-64.9	-20.2	0	0	0	110.7	Y673 Q674 H675 D860 R863 F868	D671-Y673 VanDerWaalsContact C-N 3.32Å; D671-Y673 PolarHBondContact O-N 2.8Å; D671-Q674 PolarHBondContact O-N 3.42Å; D671-H675 WeakPolarHBondContact O-CB 3.28Å; D671-H675 PolarHBondContact O-N 3.42Å; D671-D860 WeakPolarHBondContact CB-OD1 3.4Å; D671-D860 VanDerWaalsContact CG-OD1 3.3Å; D671-D860 PolarHBondContact N-OD2 3.27Å; D671-R863 IonicContact OD2-NH2 3.14Å; D671-R863 PolarHBondContact OD2-NH2 2.85Å; D671-R863 VanDerWaalsContact OD2-NH2 3.08Å; D671-F868 HydrophobicContact CB-CE2 4.12Å; D671-F868 HydrophobicContact CB-CZ 3.85Å
672	M	94.6	Very high	92.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-56.2	-48	171.4	-177.9	-155.1	69.5	0	0	110.4	W633 I665 F669 R670 Q674 H675 L676 L702 L858 F868 L871	W633-M672 HydrophobicContact CE3-CE 4Å; W633-M672 HydrophobicContact CH2-CE 4.38Å; W633-M672 HydrophobicContact CZ3-CE 3.59Å; W633-M672 HydrophobicContact CZ3-SD 4.19Å; I665-M672 HydrophobicContact CD1-CE 3.89Å; I665-M672 HydrophobicContact CG1-CE 3.97Å; F669-M672 HydrophobicContact CB-CE 4.11Å; R670-M672 VanDerWaalsContact C-N 3.35Å; M672-Q674 PolarHBondContact O-N 2.79Å; M672-H675 WeakPolarHBondContact O-CB 3.3Å; M672-H675 PolarHBondContact O-N 2.82Å; M672-L676 HydrophobicContact CE-CD1 4.23Å; M672-L676 HydrophobicContact CG-CD1 4.37Å; M672-L676 WeakPolarHBondContact O-CG 3.34Å; M672-L676 PolarHBondContact O-N 3.05Å; M672-L702 HydrophobicContact SD-CD2 4.49Å; M672-L858 HydrophobicContact CG-CD2 4.18Å; M672-L858 HydrophobicContact SD-CB 4.26Å; M672-L858 HydrophobicContact SD-CD1 4.04Å; M672-L858 HydrophobicContact SD-CD2 4.25Å; M672-L858 HydrophobicContact SD-CG 4.44Å; M672-F868 HydrophobicContact CB-CD1 4.49Å; M672-F868 HydrophobicContact CB-CE1 3.74Å; M672-F868 HydrophobicContact CB-CZ 4.23Å; M672-F868 HydrophobicContact CG-CE1 4.27Å; M672-L871 HydrophobicContact CG-CD2 3.62Å; M672-L871 HydrophobicContact SD-CD2 3.94Å
673	Y	95.3	Very high	93.1	Very high	5 Å²	5	25.4 Å²	25.4	2%	0.02	14%	0.136	C	C	.	.	H	α-helix	trans	-56.8	-49.1	175.3	176.9	-105.8	0	0	0	112.6	S510 I665 H666 F669 R670 D671 H675 L676 R677 V683	S510-Y673 PolarHBondContact OG-OH 3.21Å; I665-Y673 HydrophobicContact CD1-CD2 3.66Å; I665-Y673 HydrophobicContact CD1-CG 4.43Å; I665-Y673 HydrophobicContact CG1-CD2 3.58Å; I665-Y673 HydrophobicContact CG1-CG 3.92Å; I665-Y673 VanDerWaalsContact O-CB 3.25Å; I665-Y673 WeakPolarHBondContact O-CB 3.42Å; H666-Y673 AromaticContact CE1-CD2 3.95Å; H666-Y673 AromaticContact CE1-CE1 3.94Å; H666-Y673 AromaticContact CE1-CE2 3.73Å; H666-Y673 AromaticContact CE1-CZ 3.71Å; F669-Y673 PolarHBondContact O-N 2.82Å; F669-Y673 VanDerWaalsContact O-N 3.09Å; R670-Y673 WeakPolarHBondContact O-CB 3.35Å; R670-Y673 PolarHBondContact O-N 2.88Å; D671-Y673 VanDerWaalsContact C-N 3.32Å; D671-Y673 PolarHBondContact O-N 2.8Å; Y673-H675 VanDerWaalsContact C-N 3.27Å; Y673-H675 PolarHBondContact O-N 2.72Å; Y673-L676 PolarHBondContact O-N 3.47Å; Y673-R677 HydrophobicContact CD1-CG 4.23Å; Y673-R677 HydrophobicContact CD2-CG 4.23Å; Y673-R677 HydrophobicContact CE1-CG 3.8Å; Y673-R677 HydrophobicContact CE2-CG 3.82Å; Y673-R677 HydrophobicContact CG-CG 4.43Å; Y673-R677 WeakPolarHBondContact O-CB 3.38Å; Y673-R677 VanDerWaalsContact O-CG 3.26Å; Y673-R677 WeakPolarHBondContact O-CG 3.37Å; Y673-R677 PolarHBondContact O-N 3.38Å; Y673-V683 HydrophobicContact CD2-CB 4.25Å; Y673-V683 HydrophobicContact CE2-CB 4.13Å
674	Q	94.1	Very high	93.6	Very high	80 Å²	80	25.8 Å²	25.8	37%	0.374	14%	0.138	S	C	.	.	H	α-helix	trans	-61.1	-39.6	179.5	-70.5	177.3	37	0	0	111.7	R670 D671 M672 R677 S678	R670-Q674 WeakPolarHBondContact O-CG 3.36Å; R670-Q674 PolarHBondContact O-N 3.34Å; D671-Q674 PolarHBondContact O-N 3.42Å; M672-Q674 PolarHBondContact O-N 2.79Å; Q674-R677 PolarHBondContact O-N 3.42Å; Q674-S678 WeakPolarHBondContact O-CB 3.37Å; Q674-S678 PolarHBondContact O-N 2.99Å
675	H	95.6	Very high	93.7	Very high	41 Å²	41	26.5 Å²	26.5	19%	0.19	14%	0.142	C	C	.	.	H	α-helix	trans	-60.6	-52.9	175.2	-179	74.6	0	0	0	111.4	D671 M672 Y673 R677 S678 M679 F868 D872	D671-H675 WeakPolarHBondContact O-CB 3.28Å; D671-H675 PolarHBondContact O-N 3.42Å; M672-H675 WeakPolarHBondContact O-CB 3.3Å; M672-H675 PolarHBondContact O-N 2.82Å; Y673-H675 VanDerWaalsContact C-N 3.27Å; Y673-H675 PolarHBondContact O-N 2.72Å; H675-R677 VanDerWaalsContact C-N 3.29Å; H675-R677 PolarHBondContact O-N 3.34Å; H675-S678 WeakPolarHBondContact O-CA 3.41Å; H675-S678 WeakPolarHBondContact O-CB 3Å; H675-S678 PolarHBondContact O-N 3.45Å; H675-S678 PolarHBondContact O-OG 2.73Å; H675-M679 PolarHBondContact O-N 3.18Å; H675-M679 VanDerWaalsContact O-N 3.07Å; H675-F868 HydrophobicContact CB-CD2 3.95Å; H675-F868 HydrophobicContact CB-CE2 4.24Å; H675-F868 HydrophobicContact CB-CG 4.27Å; H675-F868 AromaticContact CG-CD2 3.89Å; H675-F868 AromaticContact CG-CG 3.98Å; H675-D872 IonicContact CD2-OD1 3.28Å; H675-D872 IonicContact CE1-OD2 2.81Å; H675-D872 PolarHBondContact CE1-OD2 3.17Å; H675-D872 IonicContact NE2-OD1 3.8Å; H675-D872 PolarHBondContact NE2-OD1 2.96Å; H675-D872 IonicContact NE2-OD2 2.65Å; H675-D872 PolarHBondContact NE2-OD2 3.24Å
676	L	95.9	Very high	93.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-57.4	-41.6	177.5	-69.4	179.4	0	0	0	112.4	M672 Y673 M679 G680 Y681 V683 L871 L875	M672-L676 HydrophobicContact CE-CD1 4.23Å; M672-L676 HydrophobicContact CG-CD1 4.37Å; M672-L676 WeakPolarHBondContact O-CG 3.34Å; M672-L676 PolarHBondContact O-N 3.05Å; Y673-L676 PolarHBondContact O-N 3.47Å; L676-M679 PolarHBondContact O-N 2.76Å; L676-G680 PolarHBondContact O-N 3.47Å; L676-Y681 HydrophobicContact CD2-CD2 4.42Å; L676-Y681 PolarHBondContact O-N 3.05Å; L676-V683 HydrophobicContact CB-CG2 3.91Å; L676-V683 HydrophobicContact CD1-CG2 3.85Å; L676-L871 HydrophobicContact CD1-CD2 4.25Å; L676-L871 HydrophobicContact CD2-CD2 3.83Å; L676-L871 HydrophobicContact CD2-CG 4.2Å; L676-L871 HydrophobicContact CG-CD2 4.18Å; L676-L875 HydrophobicContact CD2-CD1 3.33Å
677	R	95	Very high	93.8	Very high	45 Å²	45	27.8 Å²	27.8	17%	0.17	16%	0.156	C	C	.	.	H	α-helix	trans	-64.1	-39.2	175	-70	-57.5	-55.8	154.8	-3.1	112.1	S510 Y673 Q674 H675 M679 G680 Y681	S510-R677 PolarHBondContact O-NE 2.55Å; S510-R677 PolarHBondContact O-NH2 3.26Å; Y673-R677 HydrophobicContact CD1-CG 4.23Å; Y673-R677 HydrophobicContact CD2-CG 4.23Å; Y673-R677 HydrophobicContact CE1-CG 3.8Å; Y673-R677 HydrophobicContact CE2-CG 3.82Å; Y673-R677 HydrophobicContact CG-CG 4.43Å; Y673-R677 WeakPolarHBondContact O-CB 3.38Å; Y673-R677 VanDerWaalsContact O-CG 3.26Å; Y673-R677 WeakPolarHBondContact O-CG 3.37Å; Y673-R677 PolarHBondContact O-N 3.38Å; Q674-R677 PolarHBondContact O-N 3.42Å; H675-R677 VanDerWaalsContact C-N 3.29Å; H675-R677 PolarHBondContact O-N 3.34Å; R677-M679 PolarHBondContact O-N 3.21Å; R677-G680 PolarHBondContact O-N 3.12Å; R677-G680 VanDerWaalsContact O-N 3.09Å; R677-Y681 WeakPolarHBondContact CD-O 3.42Å; R677-Y681 PolarHBondContact NH1-O 3.25Å
678	S	94.9	Very high	93.8	Very high	89 Å²	89	28.3 Å²	28.3	62%	0.622	16%	0.161	S	C	*	.	H	α-helix	trans	-64.6	-29.8	176.4	83.5	0	0	0	0	112.8	Q674 H675 G680	Q674-S678 WeakPolarHBondContact O-CB 3.37Å; Q674-S678 PolarHBondContact O-N 2.99Å; H675-S678 WeakPolarHBondContact O-CA 3.41Å; H675-S678 WeakPolarHBondContact O-CB 3Å; H675-S678 PolarHBondContact O-N 3.45Å; H675-S678 PolarHBondContact O-OG 2.73Å; S678-G680 VanDerWaalsContact C-N 3.27Å; S678-G680 PolarHBondContact O-N 2.95Å
679	M	93.2	Very high	94.1	Very high	79 Å²	79	28.5 Å²	28.5	39%	0.389	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-0.2	175.3	-66.8	-62.3	-79.9	0	0	113.8	K629 H675 L676 R677 Y681	K629-M679 PolarHBondContact NZ-O 3.11Å; K629-M679 VanDerWaalsContact NZ-O 3.08Å; H675-M679 PolarHBondContact O-N 3.18Å; H675-M679 VanDerWaalsContact O-N 3.07Å; L676-M679 PolarHBondContact O-N 2.76Å; R677-M679 PolarHBondContact O-N 3.21Å; M679-Y681 HydrophobicContact CB-CD2 3.82Å; M679-Y681 HydrophobicContact CB-CE2 4.02Å
680	G	94.1	Very high	94.2	Very high	34 Å²	34	28.5 Å²	28.5	35%	0.351	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	19.5	176	0	0	0	0	0	114.8	L676 R677 S678	L676-G680 PolarHBondContact O-N 3.47Å; R677-G680 PolarHBondContact O-N 3.12Å; R677-G680 VanDerWaalsContact O-N 3.09Å; S678-G680 VanDerWaalsContact C-N 3.27Å; S678-G680 PolarHBondContact O-N 2.95Å
681	Y	95.6	Very high	94.3	Very high	5 Å²	5	27.9 Å²	27.9	2%	0.02	16%	0.164	C	C	.	.			trans	-82.3	141.9	170.7	-69.9	-84.2	0	0	0	111	K629 V631 L676 R677 M679 L875	K629-Y681 HydrophobicContact CD-CD1 3.92Å; K629-Y681 HydrophobicContact CD-CE1 3.91Å; K629-Y681 HydrophobicContact CD-CG 4.39Å; K629-Y681 CarbonylContact O-C 3.52Å; K629-Y681 WeakPolarHBondContact O-CA 3.07Å; V631-Y681 HydrophobicContact CG2-CD1 3.82Å; V631-Y681 HydrophobicContact CG2-CG 4.39Å; L676-Y681 HydrophobicContact CD2-CD2 4.42Å; L676-Y681 PolarHBondContact O-N 3.05Å; R677-Y681 WeakPolarHBondContact CD-O 3.42Å; R677-Y681 PolarHBondContact NH1-O 3.25Å; M679-Y681 HydrophobicContact CB-CD2 3.82Å; M679-Y681 HydrophobicContact CB-CE2 4.02Å; Y681-L875 HydrophobicContact CD2-CD1 4.35Å; Y681-L875 HydrophobicContact CE1-CB 4.27Å; Y681-L875 HydrophobicContact CE1-CD1 4.38Å; Y681-L875 HydrophobicContact CE2-CD1 4.14Å
682	F	96.1	Very high	94.3	Very high	26 Å²	26	26.7 Å²	26.7	11%	0.114	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	121.1	169.8	-67.3	-96.7	0	0	0	107.8	P512 Y514 I622 P625 K629 V631	P512-F682 HydrophobicContact CG-CE1 4.11Å; Y514-F682 HydrophobicContact CD1-CD1 4.26Å; Y514-F682 HydrophobicContact CE1-CB 4.22Å; Y514-F682 AromaticContact CE1-CD1 3.88Å; Y514-F682 HydrophobicContact CE1-CD1 3.88Å; Y514-F682 HydrophobicContact CE1-CG 4.15Å; I622-F682 HydrophobicContact CD1-CE1 3.6Å; I622-F682 HydrophobicContact CD1-CZ 3.45Å; I622-F682 VanDerWaalsContact CD1-CZ 3.45Å; P625-F682 HydrophobicContact CB-CD2 3.94Å; P625-F682 HydrophobicContact CB-CE2 3.72Å; P625-F682 HydrophobicContact CB-CZ 4.33Å; P625-F682 HydrophobicContact CG-CD2 3.85Å; P625-F682 HydrophobicContact CG-CE2 3.97Å; P625-F682 HydrophobicContact CG-CG 4.17Å; P625-F682 HydrophobicContact CG-CZ 4.39Å; K629-F682 PolarHBondContact O-N 2.98Å; V631-F682 PolarHBondContact N-O 2.72Å
683	V	95.7	Very high	94.3	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.018	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.3	-176.6	-161.4	0	0	0	0	108.9	Q511 V631 W633 I665 Y673 L676	Q511-V683 PolarHBondContact NE2-O 3.18Å; Q511-V683 PolarHBondContact OE1-O 2.71Å; V631-V683 HydrophobicContact CB-CG1 4.42Å; V631-V683 HydrophobicContact CG1-CG1 4.42Å; V631-V683 WeakPolarHBondContact O-CA 3.43Å; W633-V683 HydrophobicContact CB-CG1 4.32Å; I665-V683 HydrophobicContact CD1-CB 4.06Å; I665-V683 HydrophobicContact CD1-CG1 3.3Å; Y673-V683 HydrophobicContact CD2-CB 4.25Å; Y673-V683 HydrophobicContact CE2-CB 4.13Å; L676-V683 HydrophobicContact CB-CG2 3.91Å; L676-V683 HydrophobicContact CD1-CG2 3.85Å
684	E	94.7	Very high	94.2	Very high	10 Å²	10	31.3 Å²	31.3	5%	0.047	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	148.1	-172.9	-70.6	173.5	-160.5	0	0	110.4	Y514 G517 M518 V631 L632 W633 Y698	Y514-E684 VanDerWaalsContact CE1-OE1 3.27Å; Y514-E684 WeakPolarHBondContact CE1-OE1 3.42Å; Y514-E684 PolarHBondContact OH-OE1 3.2Å; G517-E684 WeakPolarHBondContact CA-OE2 3.29Å; M518-E684 HydrophobicContact CB-CB 4.12Å; M518-E684 HydrophobicContact CB-CG 4.5Å; M518-E684 WeakPolarHBondContact CB-OE2 3.39Å; M518-E684 HydrophobicContact CG-CB 4.26Å; M518-E684 PolarHBondContact N-OE2 3.37Å; V631-E684 PolarHBondContact O-N 3.29Å; L632-E684 HydrophobicContact CD1-CB 4.09Å; W633-E684 WeakPolarHBondContact CB-O 3.48Å; W633-E684 PolarHBondContact N-O 2.85Å; E684-Y698 WeakPolarHBondContact OE2-CE1 3.46Å; E684-Y698 PolarHBondContact OE2-OH 3.43Å
685	V	94.4	Very high	94.2	Very high	16 Å²	16	27.7 Å²	27.7	10%	0.097	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	121.3	-172.1	-177.7	0	0	0	0	109.3	Y392 Q635 I665	Y392-V685 HydrophobicContact CE2-CB 4.29Å; Y392-V685 HydrophobicContact CE2-CG2 4.46Å; Q635-V685 HydrophobicContact CB-CG1 3.55Å; Q635-V685 HydrophobicContact CG-CG1 3.99Å; I665-V685 HydrophobicContact CG2-CG2 3.65Å
686	L	93.6	Very high	94	Very high	1 Å²	1	29 Å²	29	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	104.1	174.6	-178.2	66.9	0	0	0	109.9	L632 W633 Q635 Y636 S688 F690 F693	L632-L686 HydrophobicContact CD1-CB 3.97Å; L632-L686 HydrophobicContact CD2-CB 4.27Å; L632-L686 HydrophobicContact CD2-CD1 4.47Å; L632-L686 HydrophobicContact CD2-CD2 4.09Å; L632-L686 HydrophobicContact CG-CB 4Å; W633-L686 WeakPolarHBondContact O-CB 3.42Å; W633-L686 PolarHBondContact O-N 2.68Å; Q635-L686 WeakPolarHBondContact CB-O 3.3Å; Q635-L686 PolarHBondContact N-O 2.95Å; Y636-L686 PolarHBondContact N-O 3.23Å; Y636-L686 VanDerWaalsContact N-O 3.11Å; L686-S688 WeakPolarHBondContact CD1-OG 3.37Å; L686-S688 WeakPolarHBondContact CG-O 3.29Å; L686-F690 HydrophobicContact CD2-CD1 3.75Å; L686-F690 HydrophobicContact CD2-CE1 4.06Å; L686-F693 HydrophobicContact CD1-CB 4.06Å; L686-F693 HydrophobicContact CD1-CD1 4.07Å; L686-F693 HydrophobicContact CD1-CG 4.31Å; L686-F693 HydrophobicContact CD2-CD1 3.71Å; L686-F693 HydrophobicContact CD2-CE1 3.89Å
687	G	91.3	Very high	94	Very high	31 Å²	31	31.7 Å²	31.7	32%	0.32	20%	0.195	S	C	.	.			trans	-97.7	23.1	176.4	0	0	0	0	0	114.4	Y636	Y636-G687 WeakPolarHBondContact CD2-O 3.41Å
688	S	91.9	Very high	94	Very high	16 Å²	16	29.6 Å²	29.6	11%	0.112	19%	0.187	C	C	.	.	S	Bend	trans	-142.6	162	-177.5	63.7	0	0	0	0	111.3	L686	L686-S688 WeakPolarHBondContact CD1-OG 3.37Å; L686-S688 WeakPolarHBondContact CG-O 3.29Å
689	P	93.4	Very high	94	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.032	16%	0.161	C	C	.	.			trans	-53.3	155.4	177.1	-24.9	32.1	0	0	0	113.4	Y636 T691 C692 E714 L932 P933	Y636-P689 HydrophobicContact CD1-CG 4.34Å; Y636-P689 HydrophobicContact CE1-CB 4.32Å; Y636-P689 HydrophobicContact CE1-CG 3.75Å; Y636-P689 HydrophobicContact CE2-CG 4.33Å; P689-T691 PolarHBondContact O-N 3.33Å; P689-T691 VanDerWaalsContact O-N 3.1Å; P689-C692 WeakPolarHBondContact O-CB 3.35Å; P689-C692 PolarHBondContact O-N 2.78Å; P689-E714 WeakPolarHBondContact CA-OE1 3.23Å; P689-E714 HydrophobicContact CB-CG 4.31Å; P689-E714 VanDerWaalsContact CB-OE1 3.25Å; P689-E714 WeakPolarHBondContact CB-OE1 3.37Å; P689-L932 HydrophobicContact CB-CD1 4.46Å; P689-P933 HydrophobicContact CG-CG 3.81Å
690	F	94.8	Very high	94.1	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-58.3	-28.4	179.1	-64.5	-19.8	0	0	0	112.4	D634 H637 L686 C692 F693 L701 M703 Y710 E714 K717 L718 L769	D634-F690 HydrophobicContact CB-CE1 4.22Å; D634-F690 WeakPolarHBondContact OD2-CE1 2.75Å; D634-F690 VanDerWaalsContact OD2-CZ 3.25Å; D634-F690 WeakPolarHBondContact OD2-CZ 3.23Å; H637-F690 AromaticContact CE1-CD1 3.9Å; H637-F690 AromaticContact CE1-CE1 3.54Å; H637-F690 AromaticContact CE1-CE2 3.97Å; H637-F690 AromaticContact CE1-CZ 3.58Å; H637-F690 AromaticContact ND1-CE1 3.66Å; H637-F690 AromaticContact ND1-CZ 3.63Å; L686-F690 HydrophobicContact CD2-CD1 3.75Å; L686-F690 HydrophobicContact CD2-CE1 4.06Å; F690-C692 PolarHBondContact O-N 2.94Å; F690-F693 HydrophobicContact CB-CE1 4.05Å; F690-F693 HydrophobicContact CD1-CE1 4.08Å; F690-F693 HydrophobicContact CG-CE1 4.36Å; F690-F693 VanDerWaalsContact O-CD1 3.25Å; F690-F693 WeakPolarHBondContact O-CD1 3.45Å; F690-F693 WeakPolarHBondContact O-CE1 3.46Å; F690-L701 HydrophobicContact CD1-CD2 4.49Å; F690-L701 HydrophobicContact CE1-CD2 4.08Å; F690-L701 HydrophobicContact CE2-CD2 4.5Å; F690-L701 HydrophobicContact CZ-CD2 4.09Å; F690-M703 HydrophobicContact CE2-CE 4.32Å; F690-M703 HydrophobicContact CE2-SD 4.32Å; F690-M703 HydrophobicContact CZ-CE 3.99Å; F690-M703 HydrophobicContact CZ-CG 4.49Å; F690-M703 HydrophobicContact CZ-SD 3.98Å; F690-Y710 HydrophobicContact CE2-CD1 4.03Å; F690-Y710 AromaticContact CE2-CE1 3.84Å; F690-Y710 HydrophobicContact CE2-CE1 3.84Å; F690-Y710 HydrophobicContact CZ-CE1 4.08Å; F690-E714 HydrophobicContact CB-CB 4.12Å; F690-E714 HydrophobicContact CB-CG 4.04Å; F690-E714 HydrophobicContact CD2-CB 4.19Å; F690-E714 PolarHBondContact N-OE1 3.04Å; F690-K717 HydrophobicContact CB-CD 4.4Å; F690-K717 VanDerWaalsContact O-CD 3.26Å; F690-K717 WeakPolarHBondContact O-CD 3.39Å; F690-K717 WeakPolarHBondContact O-CE 3.47Å; F690-K717 PolarHBondContact O-NZ 2.84Å; F690-L718 HydrophobicContact CD2-CB 4.49Å; F690-L718 HydrophobicContact CD2-CD2 4.36Å; F690-L718 HydrophobicContact CE2-CD2 4.22Å; F690-L769 HydrophobicContact CE2-CD2 4.4Å
691	T	94.2	Very high	94.3	Very high	40 Å²	40	20.4 Å²	20.4	25%	0.245	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-60.9	-14.9	176.2	55	0	0	0	0	114.1	P689 E713 E714 K717 L932	P689-T691 PolarHBondContact O-N 3.33Å; P689-T691 VanDerWaalsContact O-N 3.1Å; T691-E713 HydrophobicContact CG2-CB 4.05Å; T691-E714 HydrophobicContact CG2-CG 4.02Å; T691-K717 HydrophobicContact CG2-CB 4.41Å; T691-L932 HydrophobicContact CG2-CD1 4.38Å; T691-L932 HydrophobicContact CG2-CD2 4.16Å
692	C	92.8	Very high	94.4	Very high	35 Å²	35	20.1 Å²	20.1	24%	0.236	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-100.5	-4.3	-169	-59.8	0	0	0	0	116.5	P689 F690 C935	P689-C692 WeakPolarHBondContact O-CB 3.35Å; P689-C692 PolarHBondContact O-N 2.78Å; F690-C692 PolarHBondContact O-N 2.94Å; C692-C935 WeakPolarHBondContact CA-SG 3.36Å; C692-C935 HydrophobicContact CB-CB 3.66Å; C692-C935 WeakPolarHBondContact CB-SG 3.35Å; C692-C935 WeakPolarHBondContact SG-CA 3.3Å; C692-C935 WeakPolarHBondContact SG-CB 3.36Å; C692-C935 CovalentContact SG-SG 2.05Å; C692-C935 PolarHBondContact SG-SG 2.77Å
693	F	93.1	Very high	94.4	Very high	12 Å²	12	19 Å²	19	5%	0.053	12%	0.12	C	C	.	.	S	Bend	trans	-117.4	149.8	178.9	80.6	-86.7	0	0	0	113	M518 L632 L686 F690 A695 Y698 K717 L726	M518-F693 HydrophobicContact CE-CB 4.23Å; L632-F693 HydrophobicContact CD2-CD1 4.19Å; L632-F693 HydrophobicContact CD2-CD2 3.55Å; L632-F693 HydrophobicContact CD2-CE1 4.23Å; L632-F693 HydrophobicContact CD2-CE2 3.61Å; L632-F693 HydrophobicContact CD2-CG 3.86Å; L632-F693 HydrophobicContact CD2-CZ 3.96Å; L686-F693 HydrophobicContact CD1-CB 4.06Å; L686-F693 HydrophobicContact CD1-CD1 4.07Å; L686-F693 HydrophobicContact CD1-CG 4.31Å; L686-F693 HydrophobicContact CD2-CD1 3.71Å; L686-F693 HydrophobicContact CD2-CE1 3.89Å; F690-F693 HydrophobicContact CB-CE1 4.05Å; F690-F693 HydrophobicContact CD1-CE1 4.08Å; F690-F693 HydrophobicContact CG-CE1 4.36Å; F690-F693 VanDerWaalsContact O-CD1 3.25Å; F690-F693 WeakPolarHBondContact O-CD1 3.45Å; F690-F693 WeakPolarHBondContact O-CE1 3.46Å; F693-A695 HydrophobicContact CE2-CB 3.84Å; F693-A695 PolarHBondContact O-N 3.03Å; F693-Y698 HydrophobicContact CD2-CD2 4.09Å; F693-Y698 HydrophobicContact CD2-CE2 4.32Å; F693-Y698 HydrophobicContact CE2-CD2 4.41Å; F693-K717 VanDerWaalsContact CE1-NZ 3.32Å; F693-K717 PolarHBondContact O-NZ 3.17Å; F693-L726 HydrophobicContact CE2-CD2 4.47Å; F693-L726 HydrophobicContact CZ-CD2 4.25Å
694	D	93.6	Very high	94.3	Very high	89 Å²	89	18.9 Å²	18.9	48%	0.476	12%	0.119	S	C	.	.			trans	-84.1	107.7	173.6	177.7	7.6	0	0	0	110.7	S696 Q697 Y698	D694-S696 PolarHBondContact O-N 2.93Å; D694-S696 VanDerWaalsContact OD1-CB 3.26Å; D694-S696 WeakPolarHBondContact OD1-CB 3.39Å; D694-S696 PolarHBondContact OD1-N 3.17Å; D694-S696 PolarHBondContact OD1-OG 2.91Å; D694-S696 PolarHBondContact OD2-OG 2.77Å; D694-Q697 HydrophobicContact CB-CG 4.37Å; D694-Q697 PolarHBondContact O-N 3.44Å; D694-Y698 WeakPolarHBondContact O-CD2 3.28Å
695	A	93.8	Very high	94.1	Very high	4 Å²	4	18.4 Å²	18.4	3%	0.033	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-69.4	-18.2	-179.8	0	0	0	0	0	114.4	R627 F693 Q697 Y698 D721 L726	R627-A695 PolarHBondContact NH2-O 3.24Å; F693-A695 HydrophobicContact CE2-CB 3.84Å; F693-A695 PolarHBondContact O-N 3.03Å; A695-Q697 PolarHBondContact O-N 3.11Å; A695-Y698 PolarHBondContact O-N 2.99Å; A695-Y698 VanDerWaalsContact O-O 3.12Å; A695-D721 HydrophobicContact CB-CB 3.59Å; A695-D721 WeakPolarHBondContact CB-OD2 3.16Å; A695-L726 HydrophobicContact CB-CB 4.23Å; A695-L726 HydrophobicContact CB-CD1 4.33Å; A695-L726 HydrophobicContact CB-CD2 3.91Å; A695-L726 HydrophobicContact CB-CG 4.38Å
696	S	92.7	Very high	94	Very high	70 Å²	70	17.8 Å²	17.8	49%	0.49	11%	0.114	S	C	.	.	G	3₁₀ helix	trans	-64.5	-22.7	177.2	74.9	0	0	0	0	112.3	R627 D694	R627-S696 WeakPolarHBondContact CD-O 3.33Å; R627-S696 PolarHBondContact NE-O 3.17Å; D694-S696 PolarHBondContact O-N 2.93Å; D694-S696 VanDerWaalsContact OD1-CB 3.26Å; D694-S696 WeakPolarHBondContact OD1-CB 3.39Å; D694-S696 PolarHBondContact OD1-N 3.17Å; D694-S696 PolarHBondContact OD1-OG 2.91Å; D694-S696 PolarHBondContact OD2-OG 2.77Å
697	Q	94.1	Very high	93.9	Very high	56 Å²	56	17.9 Å²	17.9	26%	0.262	11%	0.114	S	C	.	.	G	3₁₀ helix	trans	-77.9	-22.5	178.1	-60.6	-55.2	-37.9	0	0	113.4	R630 D694 A695	R630-Q697 VanDerWaalsContact CD-O 3.25Å; R630-Q697 WeakPolarHBondContact CD-O 3.5Å; R630-Q697 PolarHBondContact NH1-O 3.37Å; R630-Q697 VanDerWaalsContact NH1-OE1 3.14Å; D694-Q697 HydrophobicContact CB-CG 4.37Å; D694-Q697 PolarHBondContact O-N 3.44Å; A695-Q697 PolarHBondContact O-N 3.11Å
698	Y	95.7	Very high	93.9	Very high	1 Å²	1	16.4 Å²	16.4	0%	0.004	10%	0.099	C	C	.	.			trans	-113.8	143	-170.2	-60.7	-82.4	0	0	0	112	M518 R627 R630 L632 E684 F693 D694 A695	M518-Y698 HydrophobicContact CE-CE2 4.03Å; M518-Y698 WeakPolarHBondContact CE-OH 3.02Å; M518-Y698 WeakPolarHBondContact CG-OH 3.45Å; M518-Y698 PolarHBondContact N-OH 3.07Å; R627-Y698 VanDerWaalsContact CZ-O 3.26Å; R627-Y698 PolarHBondContact NE-O 3.48Å; R627-Y698 PolarHBondContact NH2-O 3.16Å; R630-Y698 HydrophobicContact CB-CD1 4.11Å; L632-Y698 HydrophobicContact CB-CD1 3.9Å; L632-Y698 HydrophobicContact CB-CE1 4.37Å; L632-Y698 HydrophobicContact CB-CG 4.11Å; L632-Y698 HydrophobicContact CD1-CD1 4.46Å; L632-Y698 HydrophobicContact CD1-CE1 4.08Å; L632-Y698 HydrophobicContact CD2-CD2 4.18Å; L632-Y698 HydrophobicContact CD2-CE2 4.33Å; L632-Y698 HydrophobicContact CD2-CG 4.38Å; E684-Y698 WeakPolarHBondContact OE2-CE1 3.46Å; E684-Y698 PolarHBondContact OE2-OH 3.43Å; F693-Y698 HydrophobicContact CD2-CD2 4.09Å; F693-Y698 HydrophobicContact CD2-CE2 4.32Å; F693-Y698 HydrophobicContact CE2-CD2 4.41Å; D694-Y698 WeakPolarHBondContact O-CD2 3.28Å; A695-Y698 PolarHBondContact O-N 2.99Å; A695-Y698 VanDerWaalsContact O-O 3.12Å
699	G	94.6	Very high	93.9	Very high	8 Å²	8	16.3 Å²	16.3	8%	0.082	10%	0.096	C	C	.	.	S	Bend	trans	-84.5	-37.1	175.4	0	0	0	0	0	112.4	R627 R630 S727	R627-G699 WeakPolarHBondContact O-CA 3.19Å; R627-G699 PolarHBondContact O-N 2.95Å; R630-G699 PolarHBondContact O-N 2.64Å; G699-S727 WeakPolarHBondContact O-CB 3.42Å; G699-S727 PolarHBondContact O-N 3.2Å
700	T	96.6	Very high	94	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	132.3	-175.8	-58.4	0	0	0	0	111.3	V631 L632 S727 I729 L875 T878	V631-T700 WeakPolarHBondContact CA-O 3.25Å; L632-T700 PolarHBondContact N-O 2.91Å; T700-S727 CarbonylContact C-O 3.49Å; T700-S727 VanDerWaalsContact CA-O 3.3Å; T700-S727 WeakPolarHBondContact CA-O 3.36Å; T700-I729 HydrophobicContact CG2-CB 4.44Å; T700-I729 HydrophobicContact CG2-CD1 3.71Å; T700-I729 HydrophobicContact CG2-CG1 3.71Å; T700-L875 HydrophobicContact CG2-CD2 4.16Å; T700-T878 HydrophobicContact CG2-CG2 4.44Å; T700-T878 WeakPolarHBondContact OG1-CB 3Å; T700-T878 PolarHBondContact OG1-OG1 3.18Å
701	L	97.4	Very high	93.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	124.7	163.2	178.9	64.1	0	0	0	108.3	L632 D634 F690 M703 L718 L726 S727 L728 I729	L632-L701 HydrophobicContact CB-CD1 4.11Å; L632-L701 HydrophobicContact CD2-CD1 4.13Å; L632-L701 HydrophobicContact CG-CD1 4.12Å; D634-L701 HydrophobicContact CB-CD1 4.46Å; F690-L701 HydrophobicContact CD1-CD2 4.49Å; F690-L701 HydrophobicContact CE1-CD2 4.08Å; F690-L701 HydrophobicContact CE2-CD2 4.5Å; F690-L701 HydrophobicContact CZ-CD2 4.09Å; L701-M703 HydrophobicContact CD2-CG 4.48Å; L701-M703 HydrophobicContact CD2-SD 4.42Å; L701-M703 HydrophobicContact CG-CG 4.27Å; L701-L718 HydrophobicContact CD2-CD1 3.79Å; L701-L726 HydrophobicContact CB-CD1 4.48Å; L701-L726 HydrophobicContact CB-CD2 4.28Å; L701-S727 PolarHBondContact N-O 2.77Å; L701-L728 HydrophobicContact CB-CD1 4.18Å; L701-L728 HydrophobicContact CD2-CD1 4Å; L701-L728 HydrophobicContact CG-CD1 4.14Å; L701-I729 PolarHBondContact O-N 3.27Å
702	L	97.1	Very high	93.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	115.6	179.5	178.4	60.7	0	0	0	108.4	V631 L632 W633 D634 M672 V704 I729 F731 L871	V631-L702 HydrophobicContact CG1-CB 3.9Å; V631-L702 HydrophobicContact CG1-CD2 4.34Å; L632-L702 PolarHBondContact O-N 2.95Å; W633-L702 HydrophobicContact CE3-CD2 3.89Å; W633-L702 HydrophobicContact CE3-CG 4.12Å; W633-L702 HydrophobicContact CZ3-CD2 4.16Å; W633-L702 HydrophobicContact CZ3-CG 4.4Å; D634-L702 PolarHBondContact N-O 3Å; D634-L702 VanDerWaalsContact N-O 3.08Å; M672-L702 HydrophobicContact SD-CD2 4.49Å; L702-V704 HydrophobicContact CD1-CG2 3.81Å; L702-V704 HydrophobicContact CD2-CG2 4.36Å; L702-V704 HydrophobicContact CG-CG2 3.81Å; L702-I729 HydrophobicContact CD1-CB 3.89Å; L702-I729 HydrophobicContact CD1-CG2 3.8Å; L702-F731 HydrophobicContact CD1-CD2 4.05Å; L702-F731 HydrophobicContact CD1-CE2 4.25Å; L702-L871 HydrophobicContact CD1-CD1 4.37Å
703	M	96.1	Very high	93.9	Very high	1 Å²	1	21 Å²	21	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.4	175.8	-62.1	174.1	64.5	0	0	107.7	D634 F690 L701 Y710 L728 I729 V730 F731 L766 L769	D634-M703 HydrophobicContact CB-CG 4.15Å; F690-M703 HydrophobicContact CE2-CE 4.32Å; F690-M703 HydrophobicContact CE2-SD 4.32Å; F690-M703 HydrophobicContact CZ-CE 3.99Å; F690-M703 HydrophobicContact CZ-CG 4.49Å; F690-M703 HydrophobicContact CZ-SD 3.98Å; L701-M703 HydrophobicContact CD2-CG 4.48Å; L701-M703 HydrophobicContact CD2-SD 4.42Å; L701-M703 HydrophobicContact CG-CG 4.27Å; M703-Y710 HydrophobicContact CE-CE1 3.8Å; M703-Y710 WeakPolarHBondContact CE-OH 3.31Å; M703-L728 HydrophobicContact CG-CD1 4.2Å; M703-L728 HydrophobicContact SD-CD1 3.64Å; M703-I729 PolarHBondContact N-O 3.41Å; M703-V730 HydrophobicContact CB-CG2 4.49Å; M703-V730 WeakPolarHBondContact O-CA 3.26Å; M703-V730 HydrophobicContact SD-CG2 4.39Å; M703-F731 PolarHBondContact O-N 3.29Å; M703-L766 HydrophobicContact CE-CD2 3.88Å; M703-L769 HydrophobicContact CE-CD2 3.67Å; M703-L769 HydrophobicContact SD-CD2 4.14Å
704	V	93.9	Very high	94	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	126.3	-178.5	-174.9	0	0	0	0	107.1	W633 N638 F669 L702 S706 F731 L858	W633-V704 HydrophobicContact CE3-CG2 4.19Å; W633-V704 HydrophobicContact CH2-CB 3.43Å; W633-V704 VanDerWaalsContact CH2-CB 3.43Å; W633-V704 HydrophobicContact CH2-CG1 3.97Å; W633-V704 HydrophobicContact CH2-CG2 3.73Å; W633-V704 HydrophobicContact CZ2-CB 4.3Å; W633-V704 HydrophobicContact CZ3-CB 3.63Å; W633-V704 HydrophobicContact CZ3-CG1 4.36Å; W633-V704 HydrophobicContact CZ3-CG2 3.32Å; N638-V704 PolarHBondContact ND2-O 3.2Å; F669-V704 HydrophobicContact CD1-CG1 4.49Å; F669-V704 HydrophobicContact CE1-CG1 3.71Å; F669-V704 HydrophobicContact CZ-CG1 3.74Å; L702-V704 HydrophobicContact CD1-CG2 3.81Å; L702-V704 HydrophobicContact CD2-CG2 4.36Å; L702-V704 HydrophobicContact CG-CG2 3.81Å; V704-S706 PolarHBondContact O-N 3.1Å; V704-F731 WeakPolarHBondContact CA-O 3.26Å; V704-F731 HydrophobicContact CB-CB 4.35Å; V704-F731 HydrophobicContact CG1-CB 4.04Å; V704-F731 HydrophobicContact CG2-CB 4.13Å; V704-F731 HydrophobicContact CG2-CD2 4.31Å; V704-F731 HydrophobicContact CG2-CG 4.5Å; V704-L858 HydrophobicContact CG1-CD1 4.12Å; V704-L858 HydrophobicContact CG2-CD1 4.16Å
705	D	90.6	Very high	94	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	10%	0.1	C	C	.	.	S	Bend	trans	50.5	55.9	175	-168.8	26.4	0	0	0	114	N638 E707 F731	N638-D705 PolarHBondContact ND2-O 2.89Å; D705-E707 PolarHBondContact O-N 3.43Å; D705-F731 PolarHBondContact N-O 3.02Å
706	S	92.3	Very high	94.1	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.021	13%	0.125	C	C	.	.			trans	-79.9	121.8	179.9	65.9	0	0	0	0	111	V704 Y710 N762 L766	V704-S706 PolarHBondContact O-N 3.1Å; S706-Y710 VanDerWaalsContact CB-OH 3.23Å; S706-Y710 WeakPolarHBondContact CB-OH 3.22Å; S706-Y710 PolarHBondContact OG-OH 3.42Å; S706-Y710 VanDerWaalsContact OG-OH 3.04Å; S706-N762 PolarHBondContact O-N 2.95Å; S706-L766 WeakPolarHBondContact OG-CD1 3.44Å; S706-L766 VanDerWaalsContact OG-CD2 3.26Å; S706-L766 WeakPolarHBondContact OG-CD2 3.28Å; S706-L766 VanDerWaalsContact OG-CG 3.31Å; S706-L766 WeakPolarHBondContact OG-CG 3.36Å
707	E	91	Very high	94.2	Very high	3 Å²	3	19.9 Å²	19.9	1%	0.014	11%	0.107	C	C	.	.			trans	-104.8	-12.7	-177.1	-59.2	172.4	120.9	0	0	113.3	H637 L639 F646 D705 T758 N762	H637-E707 PolarHBondContact O-N 3.07Å; L639-E707 VanDerWaalsContact CA-OE2 3.29Å; L639-E707 WeakPolarHBondContact CA-OE2 2.98Å; L639-E707 HydrophobicContact CB-CB 4.12Å; L639-E707 VanDerWaalsContact CB-OE2 3.25Å; L639-E707 WeakPolarHBondContact CB-OE2 3.33Å; L639-E707 HydrophobicContact CD1-CB 4.12Å; L639-E707 HydrophobicContact CG-CB 4.05Å; L639-E707 PolarHBondContact N-OE2 3.08Å; F646-E707 WeakPolarHBondContact CB-OE1 3.28Å; D705-E707 PolarHBondContact O-N 3.43Å; E707-T758 HydrophobicContact CB-CG2 4.11Å; E707-T758 HydrophobicContact CG-CG2 4.43Å; E707-N762 WeakPolarHBondContact O-CB 3.31Å; E707-N762 PolarHBondContact O-ND2 3.49Å
708	E	91.6	Very high	94.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-92.4	161.1	-175.5	-173.4	56.9	-77.8	0	0	113.1	H637 L639 S917 K918 V919	H637-E708 HydrophobicContact CB-CB 3.97Å; H637-E708 WeakPolarHBondContact O-CB 3.39Å; H637-E708 PolarHBondContact O-N 2.74Å; L639-E708 HydrophobicContact CD2-CB 4.28Å; L639-E708 HydrophobicContact CD2-CG 4.43Å; L639-E708 VanDerWaalsContact CD2-OE2 3.26Å; L639-E708 WeakPolarHBondContact CD2-OE2 2.99Å; L639-E708 HydrophobicContact CG-CB 4.25Å; E708-S917 VanDerWaalsContact OE1-CB 3.24Å; E708-S917 WeakPolarHBondContact OE1-CB 3.3Å; E708-S917 PolarHBondContact OE1-OG 2.71Å; E708-S917 VanDerWaalsContact OE2-CA 3.28Å; E708-S917 WeakPolarHBondContact OE2-CA 3.37Å; E708-K918 WeakPolarHBondContact OE2-CB 3.46Å; E708-K918 PolarHBondContact OE2-N 3.25Å; E708-V919 HydrophobicContact CG-CG2 4.07Å
709	E	92.9	Very high	94.2	Very high	13 Å²	13	23.2 Å²	23.2	6%	0.061	12%	0.118	C	C	.	.			trans	-79.2	165.2	170.1	-67.9	-75.4	176.2	0	0	112.5	H637 N762 A765 R907 L913 V919 L920	H637-E709 PolarHBondContact CD2-O 2.84Å; E709-N762 PolarHBondContact OE1-ND2 2.9Å; E709-A765 VanDerWaalsContact OE2-CB 3.25Å; E709-A765 WeakPolarHBondContact OE2-CB 3.38Å; E709-R907 IonicContact OE1-CZ 2.61Å; E709-R907 IonicContact OE1-NE 3.39Å; E709-R907 PolarHBondContact OE1-NE 3.38Å; E709-R907 IonicContact OE1-NH2 3.96Å; E709-R907 PolarHBondContact OE1-NH2 3.34Å; E709-R907 IonicContact OE2-CZ 3.67Å; E709-R907 IonicContact OE2-NE 2.9Å; E709-R907 IonicContact OE2-NH2 3.82Å; E709-R907 PolarHBondContact OE2-NH2 3.14Å; E709-L913 HydrophobicContact CG-CD2 4.24Å; E709-V919 HydrophobicContact CB-CB 4.02Å; E709-V919 HydrophobicContact CB-CG1 3.99Å; E709-V919 VanDerWaalsContact O-CG2 3.25Å; E709-V919 WeakPolarHBondContact O-CG2 3.2Å; E709-L920 HydrophobicContact CB-CG 4.36Å; E709-L920 HydrophobicContact CG-CD1 3.79Å; E709-L920 HydrophobicContact CG-CD2 4.33Å; E709-L920 HydrophobicContact CG-CG 3.93Å
710	Y	94.3	Very high	94.2	Very high	15 Å²	15	30.7 Å²	30.7	6%	0.059	14%	0.144	C	C	.	.			trans	-113.9	141.4	178.7	-59.6	-83.3	0	0	0	111.4	H637 F690 M703 S706 A765 L766 L769	H637-Y710 HydrophobicContact CB-CE1 4.24Å; H637-Y710 AromaticContact CD2-CD1 3.58Å; H637-Y710 AromaticContact CD2-CE1 3.47Å; H637-Y710 VanDerWaalsContact CD2-CE1 3.47Å; H637-Y710 WeakPolarHBondContact CD2-CE1 3.09Å; H637-Y710 AromaticContact CE1-CD1 3.87Å; H637-Y710 AromaticContact CE1-CE1 3.78Å; H637-Y710 AromaticContact CG-CE1 3.57Å; H637-Y710 AromaticContact ND1-CE1 3.77Å; H637-Y710 AromaticContact NE2-CD1 3.42Å; H637-Y710 WeakPolarHBondContact NE2-CD1 3.44Å; H637-Y710 AromaticContact NE2-CE1 3.64Å; F690-Y710 HydrophobicContact CE2-CD1 4.03Å; F690-Y710 AromaticContact CE2-CE1 3.84Å; F690-Y710 HydrophobicContact CE2-CE1 3.84Å; F690-Y710 HydrophobicContact CZ-CE1 4.08Å; M703-Y710 HydrophobicContact CE-CE1 3.8Å; M703-Y710 WeakPolarHBondContact CE-OH 3.31Å; S706-Y710 VanDerWaalsContact CB-OH 3.23Å; S706-Y710 WeakPolarHBondContact CB-OH 3.22Å; S706-Y710 PolarHBondContact OG-OH 3.42Å; S706-Y710 VanDerWaalsContact OG-OH 3.04Å; Y710-A765 HydrophobicContact CD2-CB 4.08Å; Y710-A765 WeakPolarHBondContact CD2-O 3.3Å; Y710-A765 HydrophobicContact CE2-CB 4.11Å; Y710-L766 HydrophobicContact CE2-CD2 4.22Å; Y710-L766 WeakPolarHBondContact OH-CD2 3.37Å; Y710-L769 HydrophobicContact CD1-CD1 4.42Å; Y710-L769 HydrophobicContact CD1-CD2 4.25Å; Y710-L769 HydrophobicContact CD2-CB 4.06Å; Y710-L769 HydrophobicContact CD2-CD2 4.39Å; Y710-L769 HydrophobicContact CE1-CD2 3.95Å; Y710-L769 HydrophobicContact CE2-CB 4.31Å; Y710-L769 HydrophobicContact CE2-CD2 4.13Å; Y710-L769 HydrophobicContact CG-CB 4.46Å; Y710-L769 HydrophobicContact CG-CD1 4.36Å; Y710-L769 HydrophobicContact CG-CD2 4.47Å
711	F	94.4	Very high	94.2	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	15%	0.149	C	C	.	.			trans	-69.4	142.7	170	-66.4	-76.3	0	0	0	110.3	E713 E714 I715 V919 R930 L932 P933	F711-E713 PolarHBondContact O-N 3.19Å; F711-E713 VanDerWaalsContact O-N 3.14Å; F711-E714 HydrophobicContact CB-CG 4.06Å; F711-E714 WeakPolarHBondContact CB-OE2 3.17Å; F711-E714 VanDerWaalsContact CD2-OE2 3.24Å; F711-E714 WeakPolarHBondContact CD2-OE2 2.87Å; F711-E714 PolarHBondContact N-OE2 3.37Å; F711-E714 WeakPolarHBondContact O-CB 3.15Å; F711-E714 PolarHBondContact O-N 3.08Å; F711-I715 PolarHBondContact O-N 2.91Å; F711-V919 HydrophobicContact CD1-CG1 3.83Å; F711-V919 HydrophobicContact CD2-CG1 4.42Å; F711-V919 HydrophobicContact CD2-CG2 4.05Å; F711-V919 HydrophobicContact CE1-CB 4.25Å; F711-V919 HydrophobicContact CE1-CG1 3.78Å; F711-V919 HydrophobicContact CE1-CG2 4.36Å; F711-V919 HydrophobicContact CE2-CB 4.38Å; F711-V919 HydrophobicContact CE2-CG1 4.4Å; F711-V919 HydrophobicContact CE2-CG2 3.62Å; F711-V919 HydrophobicContact CG-CG1 4.15Å; F711-V919 HydrophobicContact CZ-CB 4.08Å; F711-V919 HydrophobicContact CZ-CG1 4.08Å; F711-V919 HydrophobicContact CZ-CG2 3.79Å; F711-R930 HydrophobicContact CE1-CB 4.38Å; F711-R930 WeakPolarHBondContact CE1-O 3.42Å; F711-L932 HydrophobicContact CB-CD1 3.95Å; F711-L932 HydrophobicContact CD1-CD1 4.34Å; F711-L932 HydrophobicContact CD2-CD1 3.58Å; F711-L932 HydrophobicContact CE2-CD1 4.13Å; F711-L932 HydrophobicContact CG-CD1 3.7Å; F711-P933 HydrophobicContact CE2-CG 4.35Å
712	P	91.8	Very high	94.2	Very high	71 Å²	71	31.7 Å²	31.7	46%	0.461	15%	0.149	S	C	.	.	H	α-helix	trans	-54.2	-35.1	175.6	-26.8	35.1	0	0	0	113.4	E714 I715 T716	P712-E714 VanDerWaalsContact C-N 3.32Å; P712-E714 PolarHBondContact O-N 3Å; P712-I715 PolarHBondContact O-N 3.22Å; P712-T716 PolarHBondContact O-N 3.39Å
713	E	94.3	Very high	94	Very high	92 Å²	92	34.2 Å²	34.2	43%	0.43	16%	0.162	S	C	.	.	H	α-helix	trans	-63.1	-36.7	176	-64.1	79.9	-177.4	0	0	112.1	T691 F711 T716 K717 L932	T691-E713 HydrophobicContact CG2-CB 4.05Å; F711-E713 PolarHBondContact O-N 3.19Å; F711-E713 VanDerWaalsContact O-N 3.14Å; E713-T716 PolarHBondContact O-N 3.3Å; E713-T716 PolarHBondContact O-OG1 2.94Å; E713-K717 VanDerWaalsContact O-CB 3.32Å; E713-K717 WeakPolarHBondContact O-CB 3.24Å; E713-K717 PolarHBondContact O-N 2.96Å; E713-L932 HydrophobicContact CB-CD2 4.31Å; E713-L932 HydrophobicContact CG-CD2 4.4Å
714	E	95.3	Very high	93.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.2	-41.5	177.6	-69.1	178.9	111.4	0	0	111.8	H637 P689 F690 T691 F711 P712 T716 K717 L718	H637-E714 IonicContact CE1-OE1 3.67Å; H637-E714 PolarHBondContact CE1-OE1 2.92Å; H637-E714 IonicContact NE2-OE1 3.62Å; H637-E714 PolarHBondContact NE2-OE1 2.93Å; H637-E714 IonicContact NE2-OE2 2.84Å; P689-E714 WeakPolarHBondContact CA-OE1 3.23Å; P689-E714 HydrophobicContact CB-CG 4.31Å; P689-E714 VanDerWaalsContact CB-OE1 3.25Å; P689-E714 WeakPolarHBondContact CB-OE1 3.37Å; F690-E714 HydrophobicContact CB-CB 4.12Å; F690-E714 HydrophobicContact CB-CG 4.04Å; F690-E714 HydrophobicContact CD2-CB 4.19Å; F690-E714 PolarHBondContact N-OE1 3.04Å; T691-E714 HydrophobicContact CG2-CG 4.02Å; F711-E714 HydrophobicContact CB-CG 4.06Å; F711-E714 WeakPolarHBondContact CB-OE2 3.17Å; F711-E714 VanDerWaalsContact CD2-OE2 3.24Å; F711-E714 WeakPolarHBondContact CD2-OE2 2.87Å; F711-E714 PolarHBondContact N-OE2 3.37Å; F711-E714 WeakPolarHBondContact O-CB 3.15Å; F711-E714 PolarHBondContact O-N 3.08Å; P712-E714 VanDerWaalsContact C-N 3.32Å; P712-E714 PolarHBondContact O-N 3Å; E714-T716 VanDerWaalsContact C-N 3.34Å; E714-T716 PolarHBondContact O-N 3.42Å; E714-K717 PolarHBondContact O-N 3.41Å; E714-L718 WeakPolarHBondContact O-CB 3.36Å; E714-L718 PolarHBondContact O-N 3.31Å
715	I	94.5	Very high	93.8	Very high	33 Å²	33	40.2 Å²	40.2	17%	0.169	20%	0.197	C	C	.	.	H	α-helix	trans	-58.8	-48.5	177.6	-57	176.3	0	0	0	109.9	F711 P712 K717 L718 R719 L769 V772	F711-I715 PolarHBondContact O-N 2.91Å; P712-I715 PolarHBondContact O-N 3.22Å; I715-K717 VanDerWaalsContact C-N 3.34Å; I715-K717 PolarHBondContact O-N 3.4Å; I715-L718 PolarHBondContact O-N 3.06Å; I715-R719 PolarHBondContact O-N 2.94Å; I715-R719 VanDerWaalsContact O-N 3.08Å; I715-L769 HydrophobicContact CB-CD1 4.26Å; I715-L769 HydrophobicContact CG1-CD1 3.8Å; I715-L769 HydrophobicContact CG2-CD1 4.47Å; I715-V772 HydrophobicContact CG2-CG2 3.4Å
716	T	94.6	Very high	94.1	Very high	90 Å²	90	40.1 Å²	40.1	55%	0.552	20%	0.196	S	C	*	.	H	α-helix	trans	-65.8	-36.8	179.1	64.6	0	0	0	0	112.8	P712 E713 E714 R720	P712-T716 PolarHBondContact O-N 3.39Å; E713-T716 PolarHBondContact O-N 3.3Å; E713-T716 PolarHBondContact O-OG1 2.94Å; E714-T716 VanDerWaalsContact C-N 3.34Å; E714-T716 PolarHBondContact O-N 3.42Å; T716-R720 PolarHBondContact O-N 3.44Å
717	K	95.4	Very high	94.3	Very high	28 Å²	28	40.2 Å²	40.2	12%	0.122	20%	0.197	C	C	.	.	H	α-helix	trans	-68.5	-47.8	178	-175.3	-90.5	-173.9	177.1	0	111.3	F690 T691 F693 E713 E714 I715 R719 R720 D721	F690-K717 HydrophobicContact CB-CD 4.4Å; F690-K717 VanDerWaalsContact O-CD 3.26Å; F690-K717 WeakPolarHBondContact O-CD 3.39Å; F690-K717 WeakPolarHBondContact O-CE 3.47Å; F690-K717 PolarHBondContact O-NZ 2.84Å; T691-K717 HydrophobicContact CG2-CB 4.41Å; F693-K717 VanDerWaalsContact CE1-NZ 3.32Å; F693-K717 PolarHBondContact O-NZ 3.17Å; E713-K717 VanDerWaalsContact O-CB 3.32Å; E713-K717 WeakPolarHBondContact O-CB 3.24Å; E713-K717 PolarHBondContact O-N 2.96Å; E714-K717 PolarHBondContact O-N 3.41Å; I715-K717 VanDerWaalsContact C-N 3.34Å; I715-K717 PolarHBondContact O-N 3.4Å; K717-R719 VanDerWaalsContact C-N 3.31Å; K717-R719 PolarHBondContact O-N 3.46Å; K717-R720 WeakPolarHBondContact O-CB 2.98Å; K717-R720 PolarHBondContact O-N 2.86Å; K717-D721 WeakPolarHBondContact CD-OD2 3.39Å; K717-D721 WeakPolarHBondContact CE-OD2 2.9Å; K717-D721 IonicContact NZ-OD2 3.76Å; K717-D721 PolarHBondContact NZ-OD2 3.3Å; K717-D721 PolarHBondContact O-N 3.22Å
718	L	95.9	Very high	94.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61	-42.7	179.9	-175.7	65.5	0	0	0	110.9	F690 L701 E714 I715 R720 D721 V722 L726 L728 L769 W773	F690-L718 HydrophobicContact CD2-CB 4.49Å; F690-L718 HydrophobicContact CD2-CD2 4.36Å; F690-L718 HydrophobicContact CE2-CD2 4.22Å; L701-L718 HydrophobicContact CD2-CD1 3.79Å; E714-L718 WeakPolarHBondContact O-CB 3.36Å; E714-L718 PolarHBondContact O-N 3.31Å; I715-L718 PolarHBondContact O-N 3.06Å; L718-R720 VanDerWaalsContact C-N 3.34Å; L718-R720 PolarHBondContact O-N 3.23Å; L718-D721 PolarHBondContact O-N 3.41Å; L718-V722 HydrophobicContact CD1-CG2 4.29Å; L718-V722 HydrophobicContact CG-CG2 4.36Å; L718-V722 VanDerWaalsContact O-CG2 3.32Å; L718-V722 WeakPolarHBondContact O-CG2 2.99Å; L718-V722 PolarHBondContact O-N 3.41Å; L718-L726 HydrophobicContact CD1-CD2 4.06Å; L718-L728 HydrophobicContact CD2-CD2 4.32Å; L718-L769 HydrophobicContact CD2-CD1 3.75Å; L718-L769 HydrophobicContact CD2-CD2 3.99Å; L718-L769 HydrophobicContact CD2-CG 4.05Å; L718-W773 HydrophobicContact CD2-CH2 4.08Å; L718-W773 HydrophobicContact CG-CH2 4.08Å
719	R	94.8	Very high	94.9	Very high	127 Å²	127	40.1 Å²	40.1	48%	0.479	20%	0.196	S	C	.	.	H	α-helix	trans	-52.1	-53.2	173.1	-173.8	-159.5	-177.1	141.1	-1	111.6	I715 K717 D721 V722 D723 V772 W773	I715-R719 PolarHBondContact O-N 2.94Å; I715-R719 VanDerWaalsContact O-N 3.08Å; K717-R719 VanDerWaalsContact C-N 3.31Å; K717-R719 PolarHBondContact O-N 3.46Å; R719-D721 VanDerWaalsContact C-N 3.3Å; R719-D721 PolarHBondContact O-N 2.83Å; R719-V722 PolarHBondContact O-N 2.73Å; R719-D723 VanDerWaalsContact O-CG 3.27Å; R719-D723 PolarHBondContact O-N 2.81Å; R719-V772 HydrophobicContact CB-CG1 4.09Å; R719-V772 VanDerWaalsContact CD-CG1 3.42Å; R719-V772 HydrophobicContact CG-CG1 3.63Å; R719-W773 HydrophobicContact CB-CZ2 4.49Å
720	R	94.6	Very high	95.1	Very high	166 Å²	166	39.5 Å²	39.5	63%	0.626	19%	0.194	S	C	*	.	H	α-helix	trans	-59.9	-41.2	-179.8	-177.9	-174.2	-64.2	162.9	2.5	111.8	T716 K717 L718 D723 N724	T716-R720 PolarHBondContact O-N 3.44Å; K717-R720 WeakPolarHBondContact O-CB 2.98Å; K717-R720 PolarHBondContact O-N 2.86Å; L718-R720 VanDerWaalsContact C-N 3.34Å; L718-R720 PolarHBondContact O-N 3.23Å; R720-D723 PolarHBondContact O-N 3.09Å; R720-N724 WeakPolarHBondContact O-CB 3.48Å; R720-N724 VanDerWaalsContact O-CG 3.24Å; R720-N724 PolarHBondContact O-N 3.07Å; R720-N724 PolarHBondContact O-ND2 3.37Å
721	D	96.1	Very high	95.2	Very high	21 Å²	21	38.9 Å²	38.9	11%	0.112	19%	0.191	C	C	.	.	H	α-helix	trans	-68.5	-39.3	-178.9	-73.2	-7.9	0	0	0	112.5	A695 K717 L718 R719 N724 G725 L726	A695-D721 HydrophobicContact CB-CB 3.59Å; A695-D721 WeakPolarHBondContact CB-OD2 3.16Å; K717-D721 WeakPolarHBondContact CD-OD2 3.39Å; K717-D721 WeakPolarHBondContact CE-OD2 2.9Å; K717-D721 IonicContact NZ-OD2 3.76Å; K717-D721 PolarHBondContact NZ-OD2 3.3Å; K717-D721 PolarHBondContact O-N 3.22Å; L718-D721 PolarHBondContact O-N 3.41Å; R719-D721 VanDerWaalsContact C-N 3.3Å; R719-D721 PolarHBondContact O-N 2.83Å; D721-N724 CarbonylContact O-C 3.38Å; D721-N724 PolarHBondContact O-N 2.92Å; D721-G725 PolarHBondContact O-N 2.82Å; D721-L726 HydrophobicContact CB-CB 4.14Å; D721-L726 HydrophobicContact CB-CD2 3.91Å; D721-L726 VanDerWaalsContact O-CB 3.26Å; D721-L726 WeakPolarHBondContact O-CB 3.38Å; D721-L726 PolarHBondContact O-N 2.97Å
722	V	96	Very high	95.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66.7	-41.7	174.9	175	0	0	0	0	110.4	L718 R719 N724 G725 L726 W773 V841 G847 I849	L718-V722 HydrophobicContact CD1-CG2 4.29Å; L718-V722 HydrophobicContact CG-CG2 4.36Å; L718-V722 VanDerWaalsContact O-CG2 3.32Å; L718-V722 WeakPolarHBondContact O-CG2 2.99Å; L718-V722 PolarHBondContact O-N 3.41Å; R719-V722 PolarHBondContact O-N 2.73Å; V722-N724 PolarHBondContact O-N 2.03Å; V722-G725 PolarHBondContact O-N 3.34Å; V722-L726 WeakPolarHBondContact CA-O 3.44Å; V722-W773 HydrophobicContact CB-CZ2 3.83Å; V722-W773 HydrophobicContact CG1-CZ2 4.07Å; V722-W773 HydrophobicContact CG2-CH2 4.23Å; V722-W773 HydrophobicContact CG2-CZ2 3.81Å; V722-V841 HydrophobicContact CG1-CG2 3.75Å; V722-G847 WeakPolarHBondContact O-CA 3.33Å; V722-G847 PolarHBondContact O-N 2.84Å; V722-I849 HydrophobicContact CG1-CD1 4.15Å; V722-I849 HydrophobicContact CG1-CG1 4.13Å
723	D	94.1	Very high	95.2	Very high	53 Å²	53	35.4 Å²	35.4	28%	0.283	17%	0.169	S	C	.	.	H	α-helix	trans	-59.6	-31.2	174.1	-69.4	-19.5	0	0	0	111.7	R719 R720 G725 S843	R719-D723 VanDerWaalsContact O-CG 3.27Å; R719-D723 PolarHBondContact O-N 2.81Å; R720-D723 PolarHBondContact O-N 3.09Å; D723-G725 VanDerWaalsContact C-N 3.32Å; D723-S843 PolarHBondContact O-OG 2.92Å
724	N	93.4	Very high	95.1	Very high	117 Å²	117	31.1 Å²	31.1	63%	0.626	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	12.1	175	-68.4	-34	0	0	0	114.3	R720 D721 V722	R720-N724 WeakPolarHBondContact O-CB 3.48Å; R720-N724 VanDerWaalsContact O-CG 3.24Å; R720-N724 PolarHBondContact O-N 3.07Å; R720-N724 PolarHBondContact O-ND2 3.37Å; D721-N724 CarbonylContact O-C 3.38Å; D721-N724 PolarHBondContact O-N 2.92Å; V722-N724 PolarHBondContact O-N 2.03Å
725	G	93.1	Very high	95	Very high	10 Å²	10	31.3 Å²	31.3	10%	0.103	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.5	11.6	170.4	0	0	0	0	0	116	R627 D721 V722 D723 G845	R627-G725 PolarHBondContact NH1-O 3.4Å; R627-G725 VanDerWaalsContact NH2-C 3.27Å; R627-G725 PolarHBondContact NH2-O 2.53Å; D721-G725 PolarHBondContact O-N 2.82Å; V722-G725 PolarHBondContact O-N 3.34Å; D723-G725 VanDerWaalsContact C-N 3.32Å; G725-G845 WeakPolarHBondContact CA-O 3.43Å
726	L	96	Very high	95	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.146	C	C	.	.			trans	-71	129.2	164.7	-179.8	68.6	0	0	0	109.2	F693 A695 L701 L718 D721 V722 G847	F693-L726 HydrophobicContact CE2-CD2 4.47Å; F693-L726 HydrophobicContact CZ-CD2 4.25Å; A695-L726 HydrophobicContact CB-CB 4.23Å; A695-L726 HydrophobicContact CB-CD1 4.33Å; A695-L726 HydrophobicContact CB-CD2 3.91Å; A695-L726 HydrophobicContact CB-CG 4.38Å; L701-L726 HydrophobicContact CB-CD1 4.48Å; L701-L726 HydrophobicContact CB-CD2 4.28Å; L718-L726 HydrophobicContact CD1-CD2 4.06Å; D721-L726 HydrophobicContact CB-CB 4.14Å; D721-L726 HydrophobicContact CB-CD2 3.91Å; D721-L726 VanDerWaalsContact O-CB 3.26Å; D721-L726 WeakPolarHBondContact O-CB 3.38Å; D721-L726 PolarHBondContact O-N 2.97Å; V722-L726 WeakPolarHBondContact CA-O 3.44Å; L726-G847 WeakPolarHBondContact O-CA 3.45Å
727	S	97.1	Very high	94.8	Very high	5 Å²	5	27.9 Å²	27.9	4%	0.035	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	153.1	172	-59.4	0	0	0	0	111.6	G699 T700 L701 R848 T878	G699-S727 WeakPolarHBondContact O-CB 3.42Å; G699-S727 PolarHBondContact O-N 3.2Å; T700-S727 CarbonylContact C-O 3.49Å; T700-S727 VanDerWaalsContact CA-O 3.3Å; T700-S727 WeakPolarHBondContact CA-O 3.36Å; L701-S727 PolarHBondContact N-O 2.77Å; S727-R848 CarbonylContact C-O 3.6Å; S727-R848 WeakPolarHBondContact CA-O 3.37Å; S727-R848 VanDerWaalsContact CB-O 3.28Å; S727-R848 WeakPolarHBondContact CB-O 3.06Å; S727-R848 PolarHBondContact OG-N 2.96Å; S727-T878 VanDerWaalsContact CB-CB 3.48Å; S727-T878 PolarHBondContact OG-O 2.85Å
728	L	96.6	Very high	94.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	131	-176	-177.1	63.8	0	0	0	110	L701 M703 L718 V730 L770 W773 R848 I849 V850	L701-L728 HydrophobicContact CB-CD1 4.18Å; L701-L728 HydrophobicContact CD2-CD1 4Å; L701-L728 HydrophobicContact CG-CD1 4.14Å; M703-L728 HydrophobicContact CG-CD1 4.2Å; M703-L728 HydrophobicContact SD-CD1 3.64Å; L718-L728 HydrophobicContact CD2-CD2 4.32Å; L728-V730 HydrophobicContact CD1-CG2 4.24Å; L728-V730 HydrophobicContact CD2-CG2 3.98Å; L728-V730 HydrophobicContact CG-CG2 3.85Å; L728-L770 HydrophobicContact CD2-CD2 4.31Å; L728-W773 HydrophobicContact CD2-CH2 4.49Å; L728-W773 HydrophobicContact CD2-CZ3 4.44Å; L728-R848 PolarHBondContact N-O 2.86Å; L728-I849 HydrophobicContact CB-CG1 4.38Å; L728-I849 HydrophobicContact CB-CG2 4.44Å; L728-I849 HydrophobicContact CD2-CG2 4.27Å; L728-I849 CarbonylContact O-C 3.29Å; L728-I849 WeakPolarHBondContact O-CA 3.48Å; L728-V850 PolarHBondContact O-N 2.76Å
729	I	97.6	Very high	94.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	122	168.9	-58.1	178.7	0	0	0	107.6	T700 L701 L702 M703 F731 V850 L874 L875 T878	T700-I729 HydrophobicContact CG2-CB 4.44Å; T700-I729 HydrophobicContact CG2-CD1 3.71Å; T700-I729 HydrophobicContact CG2-CG1 3.71Å; L701-I729 PolarHBondContact O-N 3.27Å; L702-I729 HydrophobicContact CD1-CB 3.89Å; L702-I729 HydrophobicContact CD1-CG2 3.8Å; M703-I729 PolarHBondContact N-O 3.41Å; I729-F731 HydrophobicContact CG2-CD2 3.75Å; I729-F731 HydrophobicContact CG2-CE2 3.49Å; I729-F731 VanDerWaalsContact CG2-CE2 3.49Å; I729-V850 HydrophobicContact CG1-CB 4.23Å; I729-V850 HydrophobicContact CG1-CG2 4.4Å; I729-V850 HydrophobicContact CG2-CB 4.38Å; I729-V850 HydrophobicContact CG2-CG1 4.43Å; I729-L874 HydrophobicContact CD1-CB 4.04Å; I729-L874 HydrophobicContact CG2-CD1 4.38Å; I729-L875 HydrophobicContact CD1-CD2 3.78Å; I729-L875 HydrophobicContact CD1-CG 4.12Å; I729-T878 HydrophobicContact CD1-CG2 3.83Å; I729-T878 HydrophobicContact CG1-CG2 3.6Å
730	V	97.6	Very high	94.1	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	116.7	177.3	-172.7	0	0	0	0	108.8	M703 L728 L766 F777 V850 L851 Y852	M703-V730 HydrophobicContact CB-CG2 4.49Å; M703-V730 WeakPolarHBondContact O-CA 3.26Å; M703-V730 HydrophobicContact SD-CG2 4.39Å; L728-V730 HydrophobicContact CD1-CG2 4.24Å; L728-V730 HydrophobicContact CD2-CG2 3.98Å; L728-V730 HydrophobicContact CG-CG2 3.85Å; V730-L766 HydrophobicContact CG1-CD1 4.46Å; V730-L766 HydrophobicContact CG1-CD2 4.11Å; V730-F777 HydrophobicContact CG1-CE2 4.28Å; V730-F777 HydrophobicContact CG1-CZ 4.47Å; V730-V850 PolarHBondContact N-O 3.01Å; V730-L851 HydrophobicContact CB-CD2 3.84Å; V730-L851 HydrophobicContact CG2-CD2 3.94Å; V730-Y852 PolarHBondContact O-N 3.43Å
731	F	96.3	Very high	93.8	Very high	1 Å²	1	20.8 Å²	20.8	0%	0.004	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	114.5	161.1	-74.8	-103.4	0	0	0	106.9	L702 M703 V704 D705 I729 Y852 D854 L858 L871 L874	L702-F731 HydrophobicContact CD1-CD2 4.05Å; L702-F731 HydrophobicContact CD1-CE2 4.25Å; M703-F731 PolarHBondContact O-N 3.29Å; V704-F731 WeakPolarHBondContact CA-O 3.26Å; V704-F731 HydrophobicContact CB-CB 4.35Å; V704-F731 HydrophobicContact CG1-CB 4.04Å; V704-F731 HydrophobicContact CG2-CB 4.13Å; V704-F731 HydrophobicContact CG2-CD2 4.31Å; V704-F731 HydrophobicContact CG2-CG 4.5Å; D705-F731 PolarHBondContact N-O 3.02Å; I729-F731 HydrophobicContact CG2-CD2 3.75Å; I729-F731 HydrophobicContact CG2-CE2 3.49Å; I729-F731 VanDerWaalsContact CG2-CE2 3.49Å; F731-Y852 WeakPolarHBondContact CA-O 3.26Å; F731-Y852 AromaticContact CD1-CD1 3.49Å; F731-Y852 HydrophobicContact CD1-CD1 3.49Å; F731-Y852 VanDerWaalsContact CD1-CD1 3.49Å; F731-Y852 HydrophobicContact CD1-CE1 4.28Å; F731-Y852 HydrophobicContact CD1-CG 4.33Å; F731-Y852 AromaticContact CE1-CD1 3.46Å; F731-Y852 HydrophobicContact CE1-CD1 3.46Å; F731-Y852 VanDerWaalsContact CE1-CD1 3.46Å; F731-Y852 HydrophobicContact CE1-CE1 4.09Å; F731-Y852 HydrophobicContact CE1-CG 4.16Å; F731-Y852 HydrophobicContact CZ-CD1 4.5Å; F731-D854 WeakPolarHBondContact CD1-O 3.07Å; F731-L858 HydrophobicContact CB-CD1 4.36Å; F731-L858 HydrophobicContact CD1-CD1 3.59Å; F731-L858 HydrophobicContact CD1-CG 4.18Å; F731-L858 HydrophobicContact CD2-CD1 3.86Å; F731-L858 HydrophobicContact CE1-CD1 3.75Å; F731-L858 HydrophobicContact CE1-CD2 4.48Å; F731-L858 HydrophobicContact CE1-CG 4.11Å; F731-L858 HydrophobicContact CE2-CD1 3.98Å; F731-L858 HydrophobicContact CG-CD1 3.68Å; F731-L858 HydrophobicContact CZ-CD1 3.95Å; F731-L871 HydrophobicContact CE2-CD1 3.88Å; F731-L871 HydrophobicContact CZ-CD1 4.2Å; F731-L874 HydrophobicContact CE2-CD1 4.12Å; F731-L874 HydrophobicContact CZ-CD1 3.83Å
732	S	93.6	Very high	93.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.125	C	C	.	.			trans	-106.7	175.4	173.9	65.4	0	0	0	0	110.3	F777 C799 Y852 G853 D854 S855	S732-F777 WeakPolarHBondContact OG-CZ 3.2Å; S732-C799 PolarHBondContact OG-SG 3.35Å; S732-Y852 PolarHBondContact N-O 3.39Å; S732-G853 CarbonylContact O-C 3.06Å; S732-G853 VanDerWaalsContact O-O 3.12Å; S732-G853 WeakPolarHBondContact OG-CA 3.35Å; S732-D854 CarbonylContact O-C 3.56Å; S732-D854 VanDerWaalsContact O-C 3.25Å; S732-D854 WeakPolarHBondContact O-CA 2.95Å; S732-D854 PolarHBondContact O-N 3.44Å; S732-S855 PolarHBondContact O-N 2.82Å; S732-S855 VanDerWaalsContact O-N 3.16Å
733	D	93.1	Very high	92.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.			trans	-123	-155.9	169.6	-71.8	-69.2	0	0	0	110.1	A761 I763 C799 S855	D733-A761 HydrophobicContact CB-CB 4.14Å; D733-I763 WeakPolarHBondContact O-CD1 3.43Å; D733-C799 PolarHBondContact O-SG 3.02Å; D733-S855 VanDerWaalsContact CG-OG 3.31Å; D733-S855 PolarHBondContact OD1-N 3.46Å; D733-S855 PolarHBondContact OD1-OG 3.28Å; D733-S855 WeakPolarHBondContact OD2-CB 3.2Å; D733-S855 PolarHBondContact OD2-OG 3.04Å
734	W	92.6	Very high	92.2	Very high	1 Å²	1	27.6 Å²	27.6	0%	0.004	14%	0.14	C	C	.	.			trans	-84.1	152.4	-179.1	63.2	-77.7	0	0	0	113.8	P647 R648 D649 L651 V739 M740 G759 G760 A761 L781 S797	P647-W734 HydrophobicContact CB-CH2 4.32Å; P647-W734 HydrophobicContact CB-CZ2 3.81Å; P647-W734 HydrophobicContact CG-CH2 3.84Å; P647-W734 HydrophobicContact CG-CZ2 3.48Å; P647-W734 VanDerWaalsContact CG-CZ2 3.48Å; R648-W734 PolarHBondContact O-NE1 3.29Å; D649-W734 PolarHBondContact O-NE1 3.03Å; D649-W734 VanDerWaalsContact O-NE1 3.13Å; L651-W734 HydrophobicContact CD1-CD2 3.92Å; L651-W734 HydrophobicContact CD1-CE3 4.21Å; L651-W734 HydrophobicContact CD1-CG 4.31Å; L651-W734 HydrophobicContact CD1-CZ2 4.33Å; L651-W734 HydrophobicContact CD2-CD2 4.5Å; L651-W734 HydrophobicContact CD2-CH2 3.91Å; L651-W734 HydrophobicContact CD2-CZ2 3.44Å; L651-W734 VanDerWaalsContact CD2-CZ2 3.44Å; L651-W734 HydrophobicContact CG-CD2 4.31Å; L651-W734 HydrophobicContact CG-CZ2 4.07Å; W734-V739 HydrophobicContact CE3-CG1 4.38Å; W734-V739 HydrophobicContact CH2-CG1 4.39Å; W734-V739 HydrophobicContact CZ3-CB 4.25Å; W734-V739 HydrophobicContact CZ3-CG1 3.84Å; W734-M740 HydrophobicContact CH2-CG 3.98Å; W734-M740 HydrophobicContact CZ3-CG 3.65Å; W734-G759 CarbonylContact O-C 2.87Å; W734-G759 WeakPolarHBondContact O-CA 2.81Å; W734-G760 PolarHBondContact O-N 3.21Å; W734-A761 PolarHBondContact O-N 2.84Å; W734-L781 HydrophobicContact CB-CD1 3.34Å; W734-L781 HydrophobicContact CG-CD1 3.87Å; W734-S797 WeakPolarHBondContact CB-O 3.21Å
735	Y	93.3	Very high	91.3	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.016	12%	0.121	C	C	.	.			trans	-151	116	165.3	-173.2	-75.4	0	0	0	108.4	T737 M740 A761 I763 P764 P905 E906 R907 M908	Y735-T737 HydrophobicContact CE1-CG2 3.97Å; Y735-M740 HydrophobicContact CD1-SD 4.33Å; Y735-M740 HydrophobicContact CD2-SD 4.18Å; Y735-M740 HydrophobicContact CE1-SD 4.1Å; Y735-M740 HydrophobicContact CE2-CE 4.12Å; Y735-M740 HydrophobicContact CE2-SD 3.96Å; Y735-M740 HydrophobicContact CG-SD 4.35Å; Y735-A761 WeakPolarHBondContact CD2-O 3.42Å; Y735-I763 VanDerWaalsContact CB-CD1 3.48Å; Y735-I763 VanDerWaalsContact CB-CG1 3.48Å; Y735-I763 HydrophobicContact CG-CB 4.28Å; Y735-P764 HydrophobicContact CD1-CG 3.97Å; Y735-P764 HydrophobicContact CD2-CG 4.42Å; Y735-P764 HydrophobicContact CE1-CG 3.57Å; Y735-P764 HydrophobicContact CE2-CG 4.05Å; Y735-P764 HydrophobicContact CG-CG 4.38Å; Y735-P905 HydrophobicContact CD1-CB 3.67Å; Y735-P905 HydrophobicContact CE1-CB 4.19Å; Y735-E906 VanDerWaalsContact CE1-O 3.25Å; Y735-E906 WeakPolarHBondContact CE1-O 3.29Å; Y735-E906 PolarHBondContact OH-O 2.85Å; Y735-R907 WeakPolarHBondContact OH-CA 3.35Å; Y735-M908 PolarHBondContact OH-N 3.21Å; Y735-M908 VanDerWaalsContact OH-N 3.09Å
736	N	92.9	Very high	89.9	Confident	17 Å²	17	28.2 Å²	28.2	9%	0.091	13%	0.132	C	C	.	.			trans	-147	116.7	176.1	-176.4	-61.1	0	0	0	109.6	S738 V739 M740 D779	N736-S738 VanDerWaalsContact C-N 3.26Å; N736-S738 PolarHBondContact O-N 2.65Å; N736-S738 WeakPolarHBondContact OD1-CA 3.26Å; N736-S738 WeakPolarHBondContact OD1-CB 3.14Å; N736-S738 PolarHBondContact OD1-N 3.14Å; N736-V739 HydrophobicContact CB-CB 4.04Å; N736-V739 HydrophobicContact CB-CG2 4Å; N736-V739 PolarHBondContact O-N 2.81Å; N736-V739 VanDerWaalsContact O-N 3.13Å; N736-V739 PolarHBondContact OD1-N 2.82Å; N736-V739 VanDerWaalsContact OD1-N 3.1Å; N736-M740 VanDerWaalsContact O-CG 3.22Å; N736-M740 WeakPolarHBondContact O-CG 3.25Å; N736-M740 PolarHBondContact O-N 3.1Å; N736-D779 PolarHBondContact ND2-O 3.37Å
737	T	91.4	Very high	87.9	Confident	34 Å²	34	29.1 Å²	29.1	21%	0.209	14%	0.137	C	C	.	.	H	α-helix	trans	-61.3	-33.8	-174.2	58.2	0	0	0	0	112.9	Y735 R741 E906 M908	Y735-T737 HydrophobicContact CE1-CG2 3.97Å; T737-R741 WeakPolarHBondContact O-CB 3.26Å; T737-R741 VanDerWaalsContact O-CG 3.22Å; T737-R741 WeakPolarHBondContact O-CG 3.25Å; T737-R741 PolarHBondContact O-N 2.92Å; T737-E906 WeakPolarHBondContact CG2-O 3.36Å; T737-M908 HydrophobicContact CG2-CB 4.37Å
738	S	90.9	Very high	85.4	Confident	55 Å²	55	36.2 Å²	36.2	39%	0.385	17%	0.17	S	C	.	.	H	α-helix	trans	-70.1	-42.3	177.7	-63.4	0	0	0	0	111.3	N736 K742	N736-S738 VanDerWaalsContact C-N 3.26Å; N736-S738 PolarHBondContact O-N 2.65Å; N736-S738 WeakPolarHBondContact OD1-CA 3.26Å; N736-S738 WeakPolarHBondContact OD1-CB 3.14Å; N736-S738 PolarHBondContact OD1-N 3.14Å; S738-K742 PolarHBondContact O-N 2.97Å
739	V	90	Very high	82.7	Confident	0 Å²	0	37 Å²	37	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.8	-46.7	175.4	175.6	0	0	0	0	110.4	L651 W734 N736 R741 K742 V743 L781 V822 L823	L651-V739 HydrophobicContact CD1-CG1 3.96Å; W734-V739 HydrophobicContact CE3-CG1 4.38Å; W734-V739 HydrophobicContact CH2-CG1 4.39Å; W734-V739 HydrophobicContact CZ3-CB 4.25Å; W734-V739 HydrophobicContact CZ3-CG1 3.84Å; N736-V739 HydrophobicContact CB-CB 4.04Å; N736-V739 HydrophobicContact CB-CG2 4Å; N736-V739 PolarHBondContact O-N 2.81Å; N736-V739 VanDerWaalsContact O-N 3.13Å; N736-V739 PolarHBondContact OD1-N 2.82Å; N736-V739 VanDerWaalsContact OD1-N 3.1Å; V739-R741 VanDerWaalsContact C-N 3.29Å; V739-R741 PolarHBondContact O-N 2.86Å; V739-K742 CarbonylContact O-C 3.47Å; V739-K742 WeakPolarHBondContact O-CA 3.14Å; V739-K742 WeakPolarHBondContact O-CB 3.42Å; V739-K742 PolarHBondContact O-N 3.49Å; V739-V743 HydrophobicContact CG1-CG2 3.72Å; V739-V743 WeakPolarHBondContact O-CG2 3.16Å; V739-V743 PolarHBondContact O-N 3.19Å; V739-L781 HydrophobicContact CG1-CD2 4.37Å; V739-L781 HydrophobicContact CG2-CD2 4.16Å; V739-V822 HydrophobicContact CG1-CG1 4.1Å; V739-L823 HydrophobicContact CG2-CD1 4.42Å; V739-L823 HydrophobicContact CG2-CG 4.27Å
740	M	89.6	Confident	80.2	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-54.5	-44.6	176.7	-68.4	164.9	69.1	0	0	111.8	W734 Y735 N736 K742 V743 K744 P756 T758 M908	W734-M740 HydrophobicContact CH2-CG 3.98Å; W734-M740 HydrophobicContact CZ3-CG 3.65Å; Y735-M740 HydrophobicContact CD1-SD 4.33Å; Y735-M740 HydrophobicContact CD2-SD 4.18Å; Y735-M740 HydrophobicContact CE1-SD 4.1Å; Y735-M740 HydrophobicContact CE2-CE 4.12Å; Y735-M740 HydrophobicContact CE2-SD 3.96Å; Y735-M740 HydrophobicContact CG-SD 4.35Å; N736-M740 VanDerWaalsContact O-CG 3.22Å; N736-M740 WeakPolarHBondContact O-CG 3.25Å; N736-M740 PolarHBondContact O-N 3.1Å; M740-K742 PolarHBondContact O-N 3.21Å; M740-V743 PolarHBondContact O-N 3.4Å; M740-K744 PolarHBondContact O-N 2.97Å; M740-K744 VanDerWaalsContact O-N 3.12Å; M740-P756 HydrophobicContact CB-CB 4.26Å; M740-P756 HydrophobicContact CB-CG 4.09Å; M740-P756 HydrophobicContact CE-CB 4Å; M740-P756 HydrophobicContact CG-CB 4.29Å; M740-P756 HydrophobicContact CG-CG 4.47Å; M740-P756 WeakPolarHBondContact O-CD 3.26Å; M740-T758 VanDerWaalsContact CE-C 3.43Å; M740-M908 HydrophobicContact CB-SD 4.22Å; M740-M908 HydrophobicContact CE-CB 4.33Å; M740-M908 HydrophobicContact CE-SD 3.94Å
741	R	88.8	Confident	77.4	Confident	117 Å²	117	43.3 Å²	43.3	44%	0.442	20%	0.199	S	C	.	.	H	α-helix	trans	-63.3	-21.7	174.8	-74.5	172.2	-175.8	164.9	0.4	113.8	T737 V739 K744 M908	T737-R741 WeakPolarHBondContact O-CB 3.26Å; T737-R741 VanDerWaalsContact O-CG 3.22Å; T737-R741 WeakPolarHBondContact O-CG 3.25Å; T737-R741 PolarHBondContact O-N 2.92Å; V739-R741 VanDerWaalsContact C-N 3.29Å; V739-R741 PolarHBondContact O-N 2.86Å; R741-K744 WeakPolarHBondContact O-CD 3.28Å; R741-K744 WeakPolarHBondContact O-CE 3.2Å; R741-K744 WeakPolarHBondContact O-CG 3.37Å; R741-M908 HydrophobicContact CG-CE 3.75Å; R741-M908 HydrophobicContact CG-SD 4.47Å
742	K	87	Confident	75.4	Confident	98 Å²	98	48.3 Å²	48.3	43%	0.426	22%	0.222	S	C	.	.	H	α-helix	trans	-93.6	-34.4	178.3	-170.1	166.6	-173.2	174.9	0	113.1	S738 V739 M740 K744 V822 L823	S738-K742 PolarHBondContact O-N 2.97Å; V739-K742 CarbonylContact O-C 3.47Å; V739-K742 WeakPolarHBondContact O-CA 3.14Å; V739-K742 WeakPolarHBondContact O-CB 3.42Å; V739-K742 PolarHBondContact O-N 3.49Å; M740-K742 PolarHBondContact O-N 3.21Å; K742-K744 PolarHBondContact O-N 3.02Å; K742-V822 HydrophobicContact CD-CG1 4.17Å; K742-V822 VanDerWaalsContact CD-O 3.23Å; K742-V822 WeakPolarHBondContact CD-O 3.35Å; K742-V822 WeakPolarHBondContact CE-O 3.25Å; K742-V822 PolarHBondContact NZ-O 2.57Å; K742-L823 HydrophobicContact CB-CD2 4.35Å; K742-L823 HydrophobicContact CD-CD2 4.04Å; K742-L823 VanDerWaalsContact NZ-C 3.35Å; K742-L823 PolarHBondContact NZ-O 2.66Å
743	V	83.8	Confident	74.1	Confident	41 Å²	41	55.1 Å²	55.1	25%	0.248	25%	0.248	C	C	.	.	H	α-helix	trans	-82.2	-0	177.1	-171.1	0	0	0	0	111.5	Y645 L651 V739 M740 F745 V822	Y645-V743 PolarHBondContact OH-O 2.82Å; Y645-V743 VanDerWaalsContact OH-O 3.05Å; L651-V743 HydrophobicContact CD2-CG1 4.34Å; L651-V743 HydrophobicContact CD2-CG2 4.09Å; V739-V743 HydrophobicContact CG1-CG2 3.72Å; V739-V743 WeakPolarHBondContact O-CG2 3.16Å; V739-V743 PolarHBondContact O-N 3.19Å; M740-V743 PolarHBondContact O-N 3.4Å; V743-F745 PolarHBondContact O-N 3.42Å; V743-V822 HydrophobicContact CG2-CG1 4.42Å
744	K	82.7	Confident	73.1	Confident	78 Å²	78	57.3 Å²	57.3	34%	0.339	26%	0.256	S	S	.	.			trans	-52.4	128.3	161.1	76	-179.3	179.9	178.4	0	108.8	M740 R741 K742 W753 W754 M755	M740-K744 PolarHBondContact O-N 2.97Å; M740-K744 VanDerWaalsContact O-N 3.12Å; R741-K744 WeakPolarHBondContact O-CD 3.28Å; R741-K744 WeakPolarHBondContact O-CE 3.2Å; R741-K744 WeakPolarHBondContact O-CG 3.37Å; K742-K744 PolarHBondContact O-N 3.02Å; K744-W753 HydrophobicContact CB-CE3 4.35Å; K744-W753 HydrophobicContact CD-CD2 4.26Å; K744-W753 HydrophobicContact CD-CE3 3.69Å; K744-W753 HydrophobicContact CD-CZ3 4.21Å; K744-W753 HydrophobicContact CG-CE3 3.62Å; K744-W753 HydrophobicContact CG-CZ3 3.91Å; K744-W754 VanDerWaalsContact CA-O 3.23Å; K744-W754 WeakPolarHBondContact CA-O 3.41Å; K744-W754 VanDerWaalsContact CB-O 3.28Å; K744-W754 WeakPolarHBondContact CB-O 3.49Å; K744-M755 HydrophobicContact CB-CG 4.26Å; K744-M755 HydrophobicContact CD-CG 4.42Å
745	F	73.2	Confident	72.6	Confident	54 Å²	54	60.3 Å²	60.3	24%	0.237	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	139.9	169.4	63.3	-83.4	0	0	0	107.6	Y645 P657 L658 V743 D747 W754	Y645-F745 HydrophobicContact CD1-CD1 4.31Å; Y645-F745 AromaticContact CD1-CE1 3.87Å; Y645-F745 HydrophobicContact CD1-CE1 3.87Å; Y645-F745 HydrophobicContact CD2-CE1 4.08Å; Y645-F745 AromaticContact CE1-CD1 3.62Å; Y645-F745 HydrophobicContact CE1-CD1 3.62Å; Y645-F745 AromaticContact CE1-CE1 3.54Å; Y645-F745 HydrophobicContact CE1-CE1 3.54Å; Y645-F745 HydrophobicContact CE2-CD1 4.36Å; Y645-F745 AromaticContact CE2-CE1 3.77Å; Y645-F745 HydrophobicContact CE2-CE1 3.77Å; Y645-F745 HydrophobicContact CG-CE1 4.14Å; Y645-F745 AromaticContact CZ-CD1 3.66Å; Y645-F745 AromaticContact CZ-CE1 3.49Å; Y645-F745 VanDerWaalsContact CZ-CE1 3.49Å; P657-F745 HydrophobicContact CG-CD1 4.42Å; P657-F745 HydrophobicContact CG-CE1 4.29Å; L658-F745 HydrophobicContact CD2-CE1 4.46Å; V743-F745 PolarHBondContact O-N 3.42Å; F745-D747 VanDerWaalsContact C-N 3.31Å; F745-D747 HydrophobicContact CD2-CB 3.89Å; F745-D747 HydrophobicContact CE2-CB 3.62Å; F745-D747 WeakPolarHBondContact CE2-OD1 3.38Å; F745-D747 PolarHBondContact O-N 3.04Å; F745-D747 VanDerWaalsContact O-N 3.09Å; F745-W754 HydrophobicContact CD1-CB 4.42Å; F745-W754 HydrophobicContact CE1-CB 3.98Å; F745-W754 HydrophobicContact CE2-CB 4.33Å; F745-W754 HydrophobicContact CE2-CG 4.36Å; F745-W754 HydrophobicContact CZ-CB 3.93Å; F745-W754 HydrophobicContact CZ-CG 4.11Å; F745-W754 PolarHBondContact N-O 2.66Å; F745-W754 PolarHBondContact O-N 3.45Å
746	Y	63.3	Low	72.2	Confident	86 Å²	86	60.2 Å²	60.2	34%	0.337	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	105.6	161.6	-173.4	-108.6	0	0	0	104.8	E748 R751 W753	Y746-E748 HydrophobicContact CD1-CG 4.18Å; Y746-E748 PolarHBondContact O-N 2.77Å; Y746-R751 HydrophobicContact CE2-CB 4.45Å; Y746-R751 WeakPolarHBondContact OH-CA 3.5Å; Y746-R751 WeakPolarHBondContact OH-CB 3.26Å; Y746-R751 WeakPolarHBondContact OH-CG 3.25Å; Y746-W753 AromaticContact CD2-CD1 3.94Å; Y746-W753 AromaticContact CD2-CD2 3.88Å; Y746-W753 HydrophobicContact CD2-CD2 3.88Å; Y746-W753 AromaticContact CD2-CE2 3.66Å; Y746-W753 HydrophobicContact CD2-CE3 4.48Å; Y746-W753 HydrophobicContact CD2-CG 4.1Å; Y746-W753 HydrophobicContact CD2-CZ2 4.14Å; Y746-W753 AromaticContact CD2-NE1 3.66Å; Y746-W753 HydrophobicContact CG-CD2 4.48Å; Y746-W753 HydrophobicContact CG-CZ2 4.35Å
747	D	55.3	Low	71.9	Confident	19 Å²	19	59.8 Å²	59.8	10%	0.102	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	100	168.2	-165	39.8	0	0	0	103.8	F745 N749 T750 R751 Q752 W754	F745-D747 VanDerWaalsContact C-N 3.31Å; F745-D747 HydrophobicContact CD2-CB 3.89Å; F745-D747 HydrophobicContact CE2-CB 3.62Å; F745-D747 WeakPolarHBondContact CE2-OD1 3.38Å; F745-D747 PolarHBondContact O-N 3.04Å; F745-D747 VanDerWaalsContact O-N 3.09Å; D747-N749 HydrophobicContact CB-CB 4.16Å; D747-N749 VanDerWaalsContact CG-CA 3.48Å; D747-N749 CarbonylContact O-C 3.55Å; D747-N749 WeakPolarHBondContact O-CA 3.42Å; D747-N749 PolarHBondContact O-N 2.91Å; D747-N749 WeakPolarHBondContact OD1-CB 3.45Å; D747-N749 PolarHBondContact OD1-ND2 2.98Å; D747-N749 WeakPolarHBondContact OD2-CB 3.37Å; D747-T750 PolarHBondContact O-N 3.05Å; D747-T750 VanDerWaalsContact O-N 3.1Å; D747-T750 VanDerWaalsContact OD2-CG2 3.22Å; D747-T750 WeakPolarHBondContact OD2-CG2 3.23Å; D747-T750 PolarHBondContact OD2-N 3.07Å; D747-T750 PolarHBondContact OD2-OG1 3.29Å; D747-R751 WeakPolarHBondContact O-CA 3.16Å; D747-R751 PolarHBondContact O-N 3.48Å; D747-Q752 PolarHBondContact N-O 3.47Å; D747-W754 HydrophobicContact CB-CG 4.17Å; D747-W754 VanDerWaalsContact CG-NE1 3.29Å; D747-W754 PolarHBondContact OD2-NE1 2.79Å
748	E	44.2	Very low	71.8	Confident	155 Å²	155	58.2 Å²	58.2	72%	0.724	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-45.9	174.6	-64.9	-172.8	166.9	0	0	110.2	T58 Y746 R751	T58-E748 WeakPolarHBondContact CG2-O 3.42Å; Y746-E748 HydrophobicContact CD1-CG 4.18Å; Y746-E748 PolarHBondContact O-N 2.77Å; E748-R751 VanDerWaalsContact O-CG 3.26Å; E748-R751 WeakPolarHBondContact O-CG 3.47Å
749	N	40.5	Very low	71.6	Confident	17 Å²	17	55.6 Å²	55.6	9%	0.091	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn		34.9	-135	111	-38.5	-13.1	0	0	0	121.6	T56 S57 T58 V59 D747 R751	T56-N749 WeakPolarHBondContact CB-ND2 3.4Å; S57-N749 VanDerWaalsContact C-CB 3.48Å; S57-N749 VanDerWaalsContact C-ND2 3.28Å; S57-N749 PolarHBondContact N-ND2 3.31Å; S57-N749 VanDerWaalsContact O-CB 3.24Å; S57-N749 WeakPolarHBondContact O-CB 3.48Å; S57-N749 VanDerWaalsContact O-CG 3.32Å; S57-N749 PolarHBondContact O-ND2 2.05Å; T58-N749 CarbonylContact C-O 3.51Å; T58-N749 VanDerWaalsContact C-O 3.26Å; T58-N749 VanDerWaalsContact CA-CG 3.41Å; T58-N749 WeakPolarHBondContact CA-O 3.33Å; T58-N749 VanDerWaalsContact CB-CA 3.44Å; T58-N749 WeakPolarHBondContact CB-O 3.03Å; T58-N749 WeakPolarHBondContact CB-OD1 3.45Å; T58-N749 HydrophobicContact CG2-CB 3.58Å; T58-N749 WeakPolarHBondContact CG2-O 3.47Å; T58-N749 WeakPolarHBondContact CG2-OD1 2.94Å; T58-N749 PolarHBondContact N-OD1 3.44Å; T58-N749 PolarHBondContact OG1-O 2.95Å; V59-N749 CarbonylContact C-O 3.56Å; V59-N749 PolarHBondContact N-O 3.48Å; D747-N749 HydrophobicContact CB-CB 4.16Å; D747-N749 VanDerWaalsContact CG-CA 3.48Å; D747-N749 CarbonylContact O-C 3.55Å; D747-N749 WeakPolarHBondContact O-CA 3.42Å; D747-N749 PolarHBondContact O-N 2.91Å; D747-N749 WeakPolarHBondContact OD1-CB 3.45Å; D747-N749 PolarHBondContact OD1-ND2 2.98Å; D747-N749 WeakPolarHBondContact OD2-CB 3.37Å; N749-R751 PolarHBondContact O-N 2.88Å; N749-R751 VanDerWaalsContact O-N 3.14Å
750	T	43.7	Very low	71.5	Confident	6 Å²	6	55.6 Å²	55.6	4%	0.037	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-4.6	173	60.9	0	0	0	0	117	V59 D747 Q752 W754	V59-T750 VanDerWaalsContact CB-CA 3.45Å; V59-T750 HydrophobicContact CB-CG2 3.57Å; V59-T750 HydrophobicContact CG2-CG2 3.44Å; V59-T750 VanDerWaalsContact CG2-CG2 3.44Å; V59-T750 CarbonylContact O-C 3.54Å; V59-T750 WeakPolarHBondContact O-CA 3.39Å; D747-T750 PolarHBondContact O-N 3.05Å; D747-T750 VanDerWaalsContact O-N 3.1Å; D747-T750 VanDerWaalsContact OD2-CG2 3.22Å; D747-T750 WeakPolarHBondContact OD2-CG2 3.23Å; D747-T750 PolarHBondContact OD2-N 3.07Å; D747-T750 PolarHBondContact OD2-OG1 3.29Å; T750-Q752 WeakPolarHBondContact O-CG 3.38Å; T750-Q752 PolarHBondContact O-N 2.91Å; T750-Q752 WeakPolarHBondContact OG1-CB 2.91Å; T750-Q752 PolarHBondContact OG1-N 2.94Å; T750-W754 HydrophobicContact CG2-CZ2 3.78Å; T750-W754 VanDerWaalsContact OG1-CD1 3.26Å; T750-W754 PolarHBondContact OG1-NE1 2.73Å
751	R	40.4	Very low	71.6	Confident	127 Å²	127	55.6 Å²	55.6	48%	0.479	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	26.9	-164.8	-64.8	-162.5	-173.4	175.1	-4.1	111.9	E61 Y746 D747 E748 N749	E61-R751 VanDerWaalsContact CD-NH1 3.32Å; E61-R751 HydrophobicContact CG-CB 3.74Å; E61-R751 HydrophobicContact CG-CG 4.24Å; E61-R751 VanDerWaalsContact OE1-CB 3.26Å; E61-R751 WeakPolarHBondContact OE1-CB 3.28Å; E61-R751 WeakPolarHBondContact OE1-CD 3.25Å; E61-R751 IonicContact OE1-NH1 2.68Å; E61-R751 IonicContact OE2-CZ 3.69Å; E61-R751 IonicContact OE2-NH1 2.61Å; E61-R751 PolarHBondContact OE2-NH1 3.4Å; Y746-R751 HydrophobicContact CE2-CB 4.45Å; Y746-R751 WeakPolarHBondContact OH-CA 3.5Å; Y746-R751 WeakPolarHBondContact OH-CB 3.26Å; Y746-R751 WeakPolarHBondContact OH-CG 3.25Å; D747-R751 WeakPolarHBondContact O-CA 3.16Å; D747-R751 PolarHBondContact O-N 3.48Å; E748-R751 VanDerWaalsContact O-CG 3.26Å; E748-R751 WeakPolarHBondContact O-CG 3.47Å; N749-R751 PolarHBondContact O-N 2.88Å; N749-R751 VanDerWaalsContact O-N 3.14Å
752	Q	53.7	Low	71.8	Confident	105 Å²	105	50.1 Å²	50.1	49%	0.491	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	140.8	170.2	-64.1	174	-2.4	0	0	105.3	D747 T750 W754	D747-Q752 PolarHBondContact N-O 3.47Å; T750-Q752 WeakPolarHBondContact O-CG 3.38Å; T750-Q752 PolarHBondContact O-N 2.91Å; T750-Q752 WeakPolarHBondContact OG1-CB 2.91Å; T750-Q752 PolarHBondContact OG1-N 2.94Å; Q752-W754 PolarHBondContact O-N 2.62Å; Q752-W754 VanDerWaalsContact O-N 3.11Å
753	W	66.3	Low	72.2	Confident	144 Å²	144	45.5 Å²	45.5	55%	0.545	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	111.5	161.3	-71.7	95.5	0	0	0	106.8	K744 Y746 M755	K744-W753 HydrophobicContact CB-CE3 4.35Å; K744-W753 HydrophobicContact CD-CD2 4.26Å; K744-W753 HydrophobicContact CD-CE3 3.69Å; K744-W753 HydrophobicContact CD-CZ3 4.21Å; K744-W753 HydrophobicContact CG-CE3 3.62Å; K744-W753 HydrophobicContact CG-CZ3 3.91Å; Y746-W753 AromaticContact CD2-CD1 3.94Å; Y746-W753 AromaticContact CD2-CD2 3.88Å; Y746-W753 HydrophobicContact CD2-CD2 3.88Å; Y746-W753 AromaticContact CD2-CE2 3.66Å; Y746-W753 HydrophobicContact CD2-CE3 4.48Å; Y746-W753 HydrophobicContact CD2-CG 4.1Å; Y746-W753 HydrophobicContact CD2-CZ2 4.14Å; Y746-W753 AromaticContact CD2-NE1 3.66Å; Y746-W753 HydrophobicContact CG-CD2 4.48Å; Y746-W753 HydrophobicContact CG-CZ2 4.35Å; W753-M755 PolarHBondContact O-N 3.37Å
754	W	72.6	Confident	72.7	Confident	45 Å²	45	43.8 Å²	43.8	17%	0.17	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	110.6	166.7	-75.2	71	0	0	0	106.4	Y645 K744 F745 D747 T750 Q752	Y645-W754 HydrophobicContact CD1-CB 3.87Å; Y645-W754 HydrophobicContact CG-CB 4.39Å; K744-W754 VanDerWaalsContact CA-O 3.23Å; K744-W754 WeakPolarHBondContact CA-O 3.41Å; K744-W754 VanDerWaalsContact CB-O 3.28Å; K744-W754 WeakPolarHBondContact CB-O 3.49Å; F745-W754 HydrophobicContact CD1-CB 4.42Å; F745-W754 HydrophobicContact CE1-CB 3.98Å; F745-W754 HydrophobicContact CE2-CB 4.33Å; F745-W754 HydrophobicContact CE2-CG 4.36Å; F745-W754 HydrophobicContact CZ-CB 3.93Å; F745-W754 HydrophobicContact CZ-CG 4.11Å; F745-W754 PolarHBondContact N-O 2.66Å; F745-W754 PolarHBondContact O-N 3.45Å; D747-W754 HydrophobicContact CB-CG 4.17Å; D747-W754 VanDerWaalsContact CG-NE1 3.29Å; D747-W754 PolarHBondContact OD2-NE1 2.79Å; T750-W754 HydrophobicContact CG2-CZ2 3.78Å; T750-W754 VanDerWaalsContact OG1-CD1 3.26Å; T750-W754 PolarHBondContact OG1-NE1 2.73Å; Q752-W754 PolarHBondContact O-N 2.62Å; Q752-W754 VanDerWaalsContact O-N 3.11Å
755	M	80.8	Confident	73.3	Confident	65 Å²	65	40.1 Å²	40.1	32%	0.32	17%	0.174	S	C	.	.			trans	-94.6	135.9	170.9	-62.3	-166.8	-58.5	0	0	107.5	K744 W753 D757 M908	K744-M755 HydrophobicContact CB-CG 4.26Å; K744-M755 HydrophobicContact CD-CG 4.42Å; W753-M755 PolarHBondContact O-N 3.37Å; M755-D757 PolarHBondContact O-N 3.42Å; M755-M908 HydrophobicContact CB-CE 4.16Å; M755-M908 HydrophobicContact CE-CE 4.26Å; M755-M908 HydrophobicContact CG-CE 4.49Å; M755-M908 HydrophobicContact SD-CE 3.79Å
756	P	85.6	Confident	74.3	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.006	16%	0.162	C	C	.	.			trans	-54.5	130.6	173.4	-24.5	33.1	0	0	0	110.5	Y645 P647 M740 T758	Y645-P756 HydrophobicContact CD1-CB 4.23Å; Y645-P756 HydrophobicContact CD1-CG 3.82Å; Y645-P756 VanDerWaalsContact CD1-N 3.32Å; Y645-P756 HydrophobicContact CE1-CB 4.34Å; Y645-P756 HydrophobicContact CE1-CG 3.51Å; Y645-P756 WeakPolarHBondContact O-CA 3.39Å; P647-P756 HydrophobicContact CG-CB 4.13Å; M740-P756 HydrophobicContact CB-CB 4.26Å; M740-P756 HydrophobicContact CB-CG 4.09Å; M740-P756 HydrophobicContact CE-CB 4Å; M740-P756 HydrophobicContact CG-CB 4.29Å; M740-P756 HydrophobicContact CG-CG 4.47Å; M740-P756 WeakPolarHBondContact O-CD 3.26Å; P756-T758 WeakPolarHBondContact CB-O 3.41Å
757	D	86.1	Confident	75.9	Confident	8 Å²	8	34.1 Å²	34.1	4%	0.043	15%	0.15	C	C	.	.	S	Bend	trans	-77.9	-28.4	175.4	-74.3	-63.4	0	0	0	111.2	G644 Y645 F646 M755 H912 L913 Y916	G644-D757 WeakPolarHBondContact CA-OD2 3.46Å; Y645-D757 PolarHBondContact N-OD2 3.1Å; Y645-D757 PolarHBondContact O-N 3.06Å; F646-D757 HydrophobicContact CE1-CB 4.08Å; M755-D757 PolarHBondContact O-N 3.42Å; D757-H912 WeakPolarHBondContact OD1-CA 3.34Å; D757-H912 WeakPolarHBondContact OD1-CB 3.5Å; D757-H912 PolarHBondContact OD1-N 3.42Å; D757-L913 HydrophobicContact CB-CD1 4.38Å; D757-Y916 WeakPolarHBondContact OD2-CE2 3.2Å
758	T	88.7	Confident	77.8	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.006	16%	0.163	C	C	.	.	S	Bend	trans	-140.5	173.2	166.6	-175.8	0	0	0	0	110.5	F646 P647 E707 M740 P756 A761 N762	F646-T758 HydrophobicContact CD1-CG2 3.49Å; F646-T758 VanDerWaalsContact CD1-CG2 3.49Å; F646-T758 HydrophobicContact CE1-CG2 3.85Å; P647-T758 WeakPolarHBondContact CD-O 3.46Å; E707-T758 HydrophobicContact CB-CG2 4.11Å; E707-T758 HydrophobicContact CG-CG2 4.43Å; M740-T758 VanDerWaalsContact CE-C 3.43Å; P756-T758 WeakPolarHBondContact CB-O 3.41Å; T758-A761 PolarHBondContact OG1-O 3.2Å; T758-N762 VanDerWaalsContact OG1-CA 3.3Å; T758-N762 WeakPolarHBondContact OG1-CA 3.38Å; T758-N762 PolarHBondContact OG1-N 3.07Å
759	G	88.3	Confident	80.2	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.129	C	C	.	.			trans	-71.3	-154.9	168.2	0	0	0	0	0	111.5	P647 W734 A761	P647-G759 WeakPolarHBondContact CD-O 3.29Å; W734-G759 CarbonylContact O-C 2.87Å; W734-G759 WeakPolarHBondContact O-CA 2.81Å; G759-A761 VanDerWaalsContact C-N 3.34Å
760	G	87.6	Confident	82.8	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-57.9	-52.4	166.9	0	0	0	0	0	109.6	W734	W734-G760 PolarHBondContact O-N 3.21Å
761	A	91.3	Very high	85.2	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-116.6	158.3	169.9	0	0	0	0	0	111.8	D733 W734 Y735 T758 G759 I763 L766	D733-A761 HydrophobicContact CB-CB 4.14Å; W734-A761 PolarHBondContact O-N 2.84Å; Y735-A761 WeakPolarHBondContact CD2-O 3.42Å; T758-A761 PolarHBondContact OG1-O 3.2Å; G759-A761 VanDerWaalsContact C-N 3.34Å; A761-I763 VanDerWaalsContact C-N 3.31Å; A761-I763 PolarHBondContact O-N 3.46Å; A761-L766 HydrophobicContact CB-CD1 4.45Å
762	N	93.4	Very high	87.8	Confident	3 Å²	3	27.5 Å²	27.5	2%	0.016	14%	0.136	C	C	.	.			trans	-80.9	74.4	172.5	-170.3	-9.3	0	0	0	111.2	S706 E707 E709 T758 A765 L766	S706-N762 PolarHBondContact O-N 2.95Å; E707-N762 WeakPolarHBondContact O-CB 3.31Å; E707-N762 PolarHBondContact O-ND2 3.49Å; E709-N762 PolarHBondContact OE1-ND2 2.9Å; T758-N762 VanDerWaalsContact OG1-CA 3.3Å; T758-N762 WeakPolarHBondContact OG1-CA 3.38Å; T758-N762 PolarHBondContact OG1-N 3.07Å; N762-A765 HydrophobicContact CB-CB 4.17Å; N762-A765 VanDerWaalsContact CG-CB 3.45Å; N762-A765 PolarHBondContact O-N 2.74Å; N762-A765 WeakPolarHBondContact OD1-CB 3.49Å; N762-A765 PolarHBondContact OD1-N 2.7Å; N762-L766 PolarHBondContact O-N 3.05Å
763	I	95.1	Very high	89.7	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-58.5	-42	-178.6	-58	-178	0	0	0	113.3	D733 Y735 A761 A765 L766 N767 F777 C799 P905	D733-I763 WeakPolarHBondContact O-CD1 3.43Å; Y735-I763 VanDerWaalsContact CB-CD1 3.48Å; Y735-I763 VanDerWaalsContact CB-CG1 3.48Å; Y735-I763 HydrophobicContact CG-CB 4.28Å; A761-I763 VanDerWaalsContact C-N 3.31Å; A761-I763 PolarHBondContact O-N 3.46Å; I763-A765 VanDerWaalsContact C-N 3.29Å; I763-A765 PolarHBondContact O-N 3.39Å; I763-L766 CarbonylContact O-C 3.52Å; I763-L766 PolarHBondContact O-N 2.97Å; I763-N767 WeakPolarHBondContact O-CB 3.28Å; I763-N767 PolarHBondContact O-N 3.27Å; I763-F777 HydrophobicContact CG2-CB 3.59Å; I763-F777 HydrophobicContact CG2-CD2 4.41Å; I763-F777 HydrophobicContact CG2-CG 4.42Å; I763-C799 HydrophobicContact CD1-CB 3.57Å; I763-P905 HydrophobicContact CB-CG 4.03Å; I763-P905 HydrophobicContact CG2-CG 3.51Å
764	P	94.6	Very high	90.9	Very high	5 Å²	5	21.6 Å²	21.6	3%	0.032	12%	0.116	C	C	.	.	H	α-helix	trans	-55.4	-43.6	176.1	-27.3	35.5	0	0	0	112.9	Y735 N767 D768 P905 R907	Y735-P764 HydrophobicContact CD1-CG 3.97Å; Y735-P764 HydrophobicContact CD2-CG 4.42Å; Y735-P764 HydrophobicContact CE1-CG 3.57Å; Y735-P764 HydrophobicContact CE2-CG 4.05Å; Y735-P764 HydrophobicContact CG-CG 4.38Å; P764-N767 PolarHBondContact O-N 3.3Å; P764-D768 PolarHBondContact O-N 2.87Å; P764-P905 HydrophobicContact CG-CB 4.22Å; P764-P905 HydrophobicContact CG-CG 4.48Å; P764-R907 HydrophobicContact CB-CG 3.8Å; P764-R907 HydrophobicContact CG-CG 4.32Å
765	A	94.4	Very high	92	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.008	11%	0.109	C	C	.	.	H	α-helix	trans	-65.5	-42.9	175.5	0	0	0	0	0	112.4	E709 Y710 N762 I763 N767 D768 L769	E709-A765 VanDerWaalsContact OE2-CB 3.25Å; E709-A765 WeakPolarHBondContact OE2-CB 3.38Å; Y710-A765 HydrophobicContact CD2-CB 4.08Å; Y710-A765 WeakPolarHBondContact CD2-O 3.3Å; Y710-A765 HydrophobicContact CE2-CB 4.11Å; N762-A765 HydrophobicContact CB-CB 4.17Å; N762-A765 VanDerWaalsContact CG-CB 3.45Å; N762-A765 PolarHBondContact O-N 2.74Å; N762-A765 WeakPolarHBondContact OD1-CB 3.49Å; N762-A765 PolarHBondContact OD1-N 2.7Å; I763-A765 VanDerWaalsContact C-N 3.29Å; I763-A765 PolarHBondContact O-N 3.39Å; A765-N767 VanDerWaalsContact C-N 3.3Å; A765-N767 PolarHBondContact O-N 3.48Å; A765-D768 PolarHBondContact O-N 3.29Å; A765-L769 PolarHBondContact O-N 2.79Å
766	L	95.4	Very high	92.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.5	-39.1	173.6	-79.9	172	0	0	0	112.2	M703 S706 Y710 V730 A761 N762 I763 L769 L770	M703-L766 HydrophobicContact CE-CD2 3.88Å; S706-L766 WeakPolarHBondContact OG-CD1 3.44Å; S706-L766 VanDerWaalsContact OG-CD2 3.26Å; S706-L766 WeakPolarHBondContact OG-CD2 3.28Å; S706-L766 VanDerWaalsContact OG-CG 3.31Å; S706-L766 WeakPolarHBondContact OG-CG 3.36Å; Y710-L766 HydrophobicContact CE2-CD2 4.22Å; Y710-L766 WeakPolarHBondContact OH-CD2 3.37Å; V730-L766 HydrophobicContact CG1-CD1 4.46Å; V730-L766 HydrophobicContact CG1-CD2 4.11Å; A761-L766 HydrophobicContact CB-CD1 4.45Å; N762-L766 PolarHBondContact O-N 3.05Å; I763-L766 CarbonylContact O-C 3.52Å; I763-L766 PolarHBondContact O-N 2.97Å; L766-L769 WeakPolarHBondContact O-CB 3.06Å; L766-L769 PolarHBondContact O-N 3.46Å; L766-L770 WeakPolarHBondContact O-CB 3.39Å; L766-L770 WeakPolarHBondContact O-CG 3.04Å; L766-L770 PolarHBondContact O-N 2.95Å
767	N	95.8	Very high	93.3	Very high	15 Å²	15	16.7 Å²	16.7	8%	0.08	10%	0.096	C	C	.	.	H	α-helix	trans	-67.3	-38	177.1	-79.2	-10.3	0	0	0	111.7	I763 P764 A765 L769 L770 S771 A776 F777	I763-N767 WeakPolarHBondContact O-CB 3.28Å; I763-N767 PolarHBondContact O-N 3.27Å; P764-N767 PolarHBondContact O-N 3.3Å; A765-N767 VanDerWaalsContact C-N 3.3Å; A765-N767 PolarHBondContact O-N 3.48Å; N767-L769 VanDerWaalsContact C-N 3.31Å; N767-L769 PolarHBondContact O-N 2.97Å; N767-L770 PolarHBondContact O-N 2.84Å; N767-S771 WeakPolarHBondContact O-CA 3.36Å; N767-S771 VanDerWaalsContact O-CB 3.3Å; N767-S771 WeakPolarHBondContact O-CB 3.03Å; N767-S771 PolarHBondContact O-N 2.86Å; N767-A776 WeakPolarHBondContact OD1-CA 3.41Å; N767-F777 PolarHBondContact ND2-O 3.23Å; N767-F777 PolarHBondContact OD1-N 2.97Å
768	D	94.8	Very high	93.7	Very high	71 Å²	71	16.4 Å²	16.4	38%	0.38	9%	0.094	S	C	.	.	H	α-helix	trans	-61.6	-42	173	-71.6	-21.3	0	0	0	110.8	P764 A765 S771 R907	P764-D768 PolarHBondContact O-N 2.87Å; A765-D768 PolarHBondContact O-N 3.29Å; D768-S771 PolarHBondContact O-OG 3.47Å; D768-R907 IonicContact OD2-CZ 3.85Å; D768-R907 VanDerWaalsContact OD2-CZ 3.25Å; D768-R907 IonicContact OD2-NH1 2.87Å; D768-R907 PolarHBondContact OD2-NH1 3.32Å; D768-R907 IonicContact OD2-NH2 2.82Å; D768-R907 PolarHBondContact OD2-NH2 3.45Å
769	L	95.5	Very high	93.8	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-63.6	-42.8	174.1	-177.1	70.4	0	0	0	112.8	F690 M703 Y710 I715 L718 A765 L766 N767 V772	F690-L769 HydrophobicContact CE2-CD2 4.4Å; M703-L769 HydrophobicContact CE-CD2 3.67Å; M703-L769 HydrophobicContact SD-CD2 4.14Å; Y710-L769 HydrophobicContact CD1-CD1 4.42Å; Y710-L769 HydrophobicContact CD1-CD2 4.25Å; Y710-L769 HydrophobicContact CD2-CB 4.06Å; Y710-L769 HydrophobicContact CD2-CD2 4.39Å; Y710-L769 HydrophobicContact CE1-CD2 3.95Å; Y710-L769 HydrophobicContact CE2-CB 4.31Å; Y710-L769 HydrophobicContact CE2-CD2 4.13Å; Y710-L769 HydrophobicContact CG-CB 4.46Å; Y710-L769 HydrophobicContact CG-CD1 4.36Å; Y710-L769 HydrophobicContact CG-CD2 4.47Å; I715-L769 HydrophobicContact CB-CD1 4.26Å; I715-L769 HydrophobicContact CG1-CD1 3.8Å; I715-L769 HydrophobicContact CG2-CD1 4.47Å; L718-L769 HydrophobicContact CD2-CD1 3.75Å; L718-L769 HydrophobicContact CD2-CD2 3.99Å; L718-L769 HydrophobicContact CD2-CG 4.05Å; A765-L769 PolarHBondContact O-N 2.79Å; L766-L769 WeakPolarHBondContact O-CB 3.06Å; L766-L769 PolarHBondContact O-N 3.46Å; N767-L769 VanDerWaalsContact C-N 3.31Å; N767-L769 PolarHBondContact O-N 2.97Å; L769-V772 WeakPolarHBondContact O-CG2 3.13Å
770	L	95.4	Very high	93.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-82.8	-17	-175.5	-69.8	173.8	0	0	0	113.9	L728 L766 N767 V772 W773 M775 F777 L851	L728-L770 HydrophobicContact CD2-CD2 4.31Å; L766-L770 WeakPolarHBondContact O-CB 3.39Å; L766-L770 WeakPolarHBondContact O-CG 3.04Å; L766-L770 PolarHBondContact O-N 2.95Å; N767-L770 PolarHBondContact O-N 2.84Å; L770-V772 PolarHBondContact O-N 2.78Å; L770-W773 HydrophobicContact CD2-CE3 4.22Å; L770-W773 HydrophobicContact CD2-CZ3 4.2Å; L770-W773 PolarHBondContact O-N 2.86Å; L770-M775 CarbonylContact C-O 3.59Å; L770-M775 HydrophobicContact CB-CB 4.07Å; L770-M775 PolarHBondContact O-N 3.43Å; L770-F777 HydrophobicContact CD1-CD2 4.07Å; L770-F777 HydrophobicContact CD1-CE2 3.7Å; L770-L851 HydrophobicContact CD1-CD1 4.15Å; L770-L851 HydrophobicContact CD1-CD2 3.67Å; L770-L851 HydrophobicContact CD2-CD2 3.91Å; L770-L851 HydrophobicContact CG-CD2 4.47Å
771	S	94	Very high	94.1	Very high	72 Å²	72	19 Å²	19	50%	0.503	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-53.1	-29.5	-178.5	68.4	0	0	0	0	113.2	N767 D768 W773 N774	N767-S771 WeakPolarHBondContact O-CA 3.36Å; N767-S771 VanDerWaalsContact O-CB 3.3Å; N767-S771 WeakPolarHBondContact O-CB 3.03Å; N767-S771 PolarHBondContact O-N 2.86Å; D768-S771 PolarHBondContact O-OG 3.47Å; S771-W773 PolarHBondContact O-N 2.88Å; S771-N774 PolarHBondContact O-N 2.99Å
772	V	93.7	Very high	94.2	Very high	41 Å²	41	20.1 Å²	20.1	25%	0.248	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-61.5	-26.9	-179.3	-158	0	0	0	0	112.9	I715 R719 L769 L770	I715-V772 HydrophobicContact CG2-CG2 3.4Å; R719-V772 HydrophobicContact CB-CG1 4.09Å; R719-V772 VanDerWaalsContact CD-CG1 3.42Å; R719-V772 HydrophobicContact CG-CG1 3.63Å; L769-V772 WeakPolarHBondContact O-CG2 3.13Å; L770-V772 PolarHBondContact O-N 2.78Å
773	W	93.5	Very high	94.1	Very high	25 Å²	25	20.8 Å²	20.8	10%	0.095	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-105.4	15.2	175.9	-57.7	-78.3	0	0	0	113	L718 R719 V722 L728 L770 S771 M775 P805 I849	L718-W773 HydrophobicContact CD2-CH2 4.08Å; L718-W773 HydrophobicContact CG-CH2 4.08Å; R719-W773 HydrophobicContact CB-CZ2 4.49Å; V722-W773 HydrophobicContact CB-CZ2 3.83Å; V722-W773 HydrophobicContact CG1-CZ2 4.07Å; V722-W773 HydrophobicContact CG2-CH2 4.23Å; V722-W773 HydrophobicContact CG2-CZ2 3.81Å; L728-W773 HydrophobicContact CD2-CH2 4.49Å; L728-W773 HydrophobicContact CD2-CZ3 4.44Å; L770-W773 HydrophobicContact CD2-CE3 4.22Å; L770-W773 HydrophobicContact CD2-CZ3 4.2Å; L770-W773 PolarHBondContact O-N 2.86Å; S771-W773 PolarHBondContact O-N 2.88Å; W773-M775 HydrophobicContact CB-CE 4.01Å; W773-M775 HydrophobicContact CB-CG 4.18Å; W773-M775 HydrophobicContact CB-SD 4.1Å; W773-M775 PolarHBondContact O-N 2.92Å; W773-P805 WeakPolarHBondContact O-CG 3.17Å; W773-I849 HydrophobicContact CB-CD1 4.29Å; W773-I849 HydrophobicContact CD2-CD1 3.41Å; W773-I849 VanDerWaalsContact CD2-CD1 3.41Å; W773-I849 VanDerWaalsContact CE2-CD1 3.48Å; W773-I849 HydrophobicContact CE3-CD1 3.94Å; W773-I849 HydrophobicContact CG-CD1 3.57Å; W773-I849 HydrophobicContact CZ2-CD1 4.05Å; W773-I849 HydrophobicContact CZ3-CD1 4.47Å
774	N	93.4	Very high	94	Very high	99 Å²	99	21.5 Å²	21.5	53%	0.529	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	39.5	-173.8	-167.5	39.6	0	0	0	112.7	S771	S771-N774 PolarHBondContact O-N 2.99Å
775	M	95.5	Very high	93.9	Very high	2 Å²	2	26 Å²	26	1%	0.01	15%	0.15	C	C	.	.			trans	-113.6	143.3	177.8	-68.4	176.3	-169.7	0	0	110.4	L770 W773 K803 F804 P805 Y839 I849 L851	L770-M775 CarbonylContact C-O 3.59Å; L770-M775 HydrophobicContact CB-CB 4.07Å; L770-M775 PolarHBondContact O-N 3.43Å; W773-M775 HydrophobicContact CB-CE 4.01Å; W773-M775 HydrophobicContact CB-CG 4.18Å; W773-M775 HydrophobicContact CB-SD 4.1Å; W773-M775 PolarHBondContact O-N 2.92Å; M775-K803 WeakPolarHBondContact CA-O 3.4Å; M775-F804 HydrophobicContact CE-CD2 4.42Å; M775-F804 HydrophobicContact CE-CE2 3.88Å; M775-F804 HydrophobicContact CE-CZ 4.14Å; M775-F804 HydrophobicContact CG-CD2 3.9Å; M775-F804 HydrophobicContact CG-CE2 4.11Å; M775-F804 HydrophobicContact SD-CD2 4.25Å; M775-F804 HydrophobicContact SD-CE2 3.83Å; M775-P805 HydrophobicContact CE-CG 3.75Å; M775-P805 HydrophobicContact CG-CG 4.29Å; M775-Y839 VanDerWaalsContact CE-CB 3.43Å; M775-Y839 HydrophobicContact CE-CD1 3.31Å; M775-Y839 HydrophobicContact CE-CD2 4.28Å; M775-Y839 HydrophobicContact CE-CE1 4.1Å; M775-Y839 HydrophobicContact CE-CG 3.41Å; M775-Y839 VanDerWaalsContact CE-CG 3.41Å; M775-I849 HydrophobicContact CE-CB 4.26Å; M775-I849 HydrophobicContact CE-CD1 4.23Å; M775-I849 HydrophobicContact CE-CG2 4.28Å; M775-I849 HydrophobicContact SD-CB 4.43Å; M775-I849 HydrophobicContact SD-CD1 4.46Å; M775-I849 HydrophobicContact SD-CG2 3.82Å; M775-L851 HydrophobicContact CB-CD1 4Å; M775-L851 HydrophobicContact CG-CD1 4.31Å; M775-L851 HydrophobicContact SD-CD1 4.01Å; M775-L851 HydrophobicContact SD-CG 4.44Å
776	A	96.1	Very high	93.7	Very high	7 Å²	7	26.6 Å²	26.6	6%	0.058	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	146	173.1	0	0	0	0	0	111.4	N767 A802 K803 L904	N767-A776 WeakPolarHBondContact OD1-CA 3.41Å; A776-A802 PolarHBondContact O-N 3.05Å; A776-K803 HydrophobicContact CB-CB 4.05Å; A776-K803 HydrophobicContact CB-CD 4.34Å; A776-K803 HydrophobicContact CB-CG 4.39Å; A776-K803 PolarHBondContact N-O 3.41Å; A776-K803 PolarHBondContact O-N 2.83Å; A776-L904 HydrophobicContact CB-CD2 3.64Å
777	F	96.2	Very high	93.4	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	155	164.9	-64	-76.1	0	0	0	111.2	V730 S732 I763 N767 L770 C799 S800 I801 L851 P905	V730-F777 HydrophobicContact CG1-CE2 4.28Å; V730-F777 HydrophobicContact CG1-CZ 4.47Å; S732-F777 WeakPolarHBondContact OG-CZ 3.2Å; I763-F777 HydrophobicContact CG2-CB 3.59Å; I763-F777 HydrophobicContact CG2-CD2 4.41Å; I763-F777 HydrophobicContact CG2-CG 4.42Å; N767-F777 PolarHBondContact ND2-O 3.23Å; N767-F777 PolarHBondContact OD1-N 2.97Å; L770-F777 HydrophobicContact CD1-CD2 4.07Å; L770-F777 HydrophobicContact CD1-CE2 3.7Å; F777-C799 VanDerWaalsContact CD1-SG 3.56Å; F777-S800 CarbonylContact C-O 3.59Å; F777-S800 WeakPolarHBondContact CA-O 3.49Å; F777-I801 HydrophobicContact CD1-CG1 4.19Å; F777-I801 HydrophobicContact CE1-CG1 4.14Å; F777-L851 HydrophobicContact CE1-CB 4.02Å; F777-L851 HydrophobicContact CE2-CD2 4.23Å; F777-L851 HydrophobicContact CZ-CB 3.75Å; F777-L851 HydrophobicContact CZ-CD1 4.27Å; F777-L851 HydrophobicContact CZ-CD2 4.01Å; F777-L851 HydrophobicContact CZ-CG 4.22Å; F777-P905 WeakPolarHBondContact O-CD 3.39Å
778	S	94.1	Very high	92.9	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.007	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	171.3	176	78.6	0	0	0	0	111.5	G780 S800	S778-G780 VanDerWaalsContact C-N 3.27Å; S778-G780 PolarHBondContact OG-N 3.2Å; S778-S800 PolarHBondContact N-O 2.89Å; S778-S800 PolarHBondContact OG-O 3.02Å; S778-S800 PolarHBondContact OG-OG 3.17Å
779	D	91.2	Very high	92.3	Very high	40 Å²	40	28.8 Å²	28.8	21%	0.214	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	3.2	167.7	70.6	-26.4	0	0	0	113.4	N736 S903 P905	N736-D779 PolarHBondContact ND2-O 3.37Å; D779-S903 VanDerWaalsContact CG-OG 3.22Å; D779-S903 PolarHBondContact N-O 3.29Å; D779-S903 WeakPolarHBondContact OD1-CB 3.33Å; D779-S903 PolarHBondContact OD1-OG 3.08Å; D779-S903 PolarHBondContact OD2-OG 3.45Å; D779-P905 HydrophobicContact CB-CB 4.02Å
780	G	89.9	Confident	91.7	Very high	14 Å²	14	36.8 Å²	36.8	14%	0.144	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	135.1	-179	0	0	0	0	0	111.2	S778 Y782 C799	S778-G780 VanDerWaalsContact C-N 3.27Å; S778-G780 PolarHBondContact OG-N 3.2Å; G780-Y782 VanDerWaalsContact C-CE2 3.47Å; G780-C799 VanDerWaalsContact O-CA 3.26Å; G780-C799 WeakPolarHBondContact O-CA 3.35Å
781	L	92.1	Very high	91.4	Very high	2 Å²	2	41 Å²	41	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	117.6	-175.6	175.1	70.6	0	0	0	110.1	L651 W734 V739 S797 Q818 G819	L651-L781 HydrophobicContact CD1-CD1 4.01Å; L651-L781 HydrophobicContact CD1-CD2 3.32Å; L651-L781 HydrophobicContact CD1-CG 4.3Å; W734-L781 HydrophobicContact CB-CD1 3.34Å; W734-L781 HydrophobicContact CG-CD1 3.87Å; V739-L781 HydrophobicContact CG1-CD2 4.37Å; V739-L781 HydrophobicContact CG2-CD2 4.16Å; L781-S797 WeakPolarHBondContact CD1-O 3.26Å; L781-Q818 HydrophobicContact CD2-CB 4.26Å; L781-Q818 HydrophobicContact CD2-CG 4.42Å; L781-Q818 HydrophobicContact CG-CB 4.12Å; L781-Q818 PolarHBondContact O-N 3.04Å; L781-G819 PolarHBondContact O-N 2.94Å
782	Y	93.6	Very high	91.2	Very high	23 Å²	23	43.7 Å²	43.7	9%	0.09	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	151.4	-170.3	-56.7	-77.9	0	0	0	112.9	G780 S797 G798 S800 F815 K816 V830 V833	G780-Y782 VanDerWaalsContact C-CE2 3.47Å; Y782-S797 WeakPolarHBondContact O-CA 3.38Å; Y782-S797 PolarHBondContact O-N 3.48Å; Y782-G798 PolarHBondContact N-O 3.41Å; Y782-G798 PolarHBondContact O-N 2.94Å; Y782-S800 WeakPolarHBondContact CE2-OG 3.31Å; Y782-F815 HydrophobicContact CD1-CB 4.37Å; Y782-F815 HydrophobicContact CG-CB 4.47Å; Y782-K816 WeakPolarHBondContact CA-O 3.49Å; Y782-V830 HydrophobicContact CE1-CB 4.09Å; Y782-V830 HydrophobicContact CE1-CG1 4.23Å; Y782-V830 HydrophobicContact CE1-CG2 4.18Å; Y782-V833 HydrophobicContact CD1-CG1 4.15Å; Y782-V833 HydrophobicContact CD1-CG2 3.84Å; Y782-V833 HydrophobicContact CD2-CG1 3.53Å; Y782-V833 HydrophobicContact CE1-CG1 4.22Å; Y782-V833 HydrophobicContact CE1-CG2 3.73Å; Y782-V833 HydrophobicContact CE2-CG1 3.61Å; Y782-V833 HydrophobicContact CG-CG1 3.8Å; Y782-V833 HydrophobicContact CG-CG2 4.3Å
783	E	92.8	Very high	91	Very high	18 Å²	18	41.8 Å²	41.8	8%	0.084	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	142.1	177.6	-161.6	-155	139.1	0	0	112.2	R652 Y795 K816 Q818	R652-E783 IonicContact CZ-OE1 3.51Å; R652-E783 VanDerWaalsContact CZ-OE1 3.28Å; R652-E783 IonicContact CZ-OE2 3.32Å; R652-E783 IonicContact NE-OE1 2.74Å; R652-E783 PolarHBondContact NE-OE1 2.86Å; R652-E783 IonicContact NE-OE2 3.77Å; R652-E783 PolarHBondContact NE-OE2 2.9Å; R652-E783 VanDerWaalsContact NH2-CD 3.27Å; R652-E783 IonicContact NH2-OE1 3.25Å; R652-E783 PolarHBondContact NH2-OE1 2.9Å; R652-E783 VanDerWaalsContact NH2-OE1 3.09Å; R652-E783 IonicContact NH2-OE2 2.7Å; R652-E783 PolarHBondContact NH2-OE2 3.06Å; E783-Y795 VanDerWaalsContact CA-O 3.31Å; E783-Y795 WeakPolarHBondContact CA-O 3.31Å; E783-Y795 WeakPolarHBondContact CG-O 3.2Å; E783-K816 PolarHBondContact N-O 3.17Å; E783-K816 WeakPolarHBondContact O-CB 3.24Å; E783-K816 PolarHBondContact O-N 3.11Å; E783-Q818 HydrophobicContact CB-CB 4.01Å; E783-Q818 HydrophobicContact CB-CG 4.37Å; E783-Q818 PolarHBondContact OE2-NE2 3.3Å
784	G	91.9	Very high	90.9	Very high	14 Å²	14	41 Å²	41	14%	0.144	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.3	165.4	164.9	0	0	0	0	0	114.4	Y795 F815	G784-Y795 PolarHBondContact N-O 3.16Å; G784-Y795 PolarHBondContact O-N 2.92Å; G784-F815 WeakPolarHBondContact O-CE1 3.15Å
785	D	92.1	Very high	90.8	Very high	100 Å²	100	36.3 Å²	36.3	54%	0.535	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	136.9	169.6	-70.6	-35	0	0	0	110.1	M793 N794	D785-M793 WeakPolarHBondContact CA-O 3.46Å; D785-N794 PolarHBondContact OD1-ND2 2.98Å
786	F	90.7	Very high	90.6	Very high	13 Å²	13	36.2 Å²	36.2	6%	0.057	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	164	175.4	70	-78.2	0	0	0	110.9	M788 M793 Y795 Q813 F815 I835	F786-M788 HydrophobicContact CD2-CB 4.14Å; F786-M788 HydrophobicContact CE2-CB 3.88Å; F786-M788 HydrophobicContact CE2-CE 4.27Å; F786-M788 HydrophobicContact CE2-SD 4.41Å; F786-M793 HydrophobicContact CD1-CB 4.12Å; F786-M793 HydrophobicContact CE1-CB 3.66Å; F786-M793 HydrophobicContact CE2-CB 4.14Å; F786-M793 HydrophobicContact CE2-SD 4.11Å; F786-M793 HydrophobicContact CZ-CB 3.68Å; F786-M793 HydrophobicContact CZ-CE 4Å; F786-M793 HydrophobicContact CZ-CG 4.39Å; F786-M793 HydrophobicContact CZ-SD 3.91Å; F786-M793 PolarHBondContact N-O 3.1Å; F786-M793 PolarHBondContact O-N 3.42Å; F786-Y795 HydrophobicContact CE1-CD2 4.23Å; F786-Q813 HydrophobicContact CB-CG 4.39Å; F786-Q813 HydrophobicContact CD2-CG 3.74Å; F786-Q813 HydrophobicContact CE2-CG 4.21Å; F786-Q813 HydrophobicContact CG-CG 4.16Å; F786-F815 HydrophobicContact CB-CE1 4.15Å; F786-F815 HydrophobicContact CB-CZ 4.36Å; F786-F815 AromaticContact CD1-CE1 3.6Å; F786-F815 HydrophobicContact CD1-CE1 3.6Å; F786-F815 AromaticContact CD1-CZ 3.56Å; F786-F815 HydrophobicContact CD1-CZ 3.56Å; F786-F815 HydrophobicContact CE1-CE1 4.3Å; F786-F815 AromaticContact CE1-CZ 3.93Å; F786-F815 HydrophobicContact CE1-CZ 3.93Å; F786-F815 HydrophobicContact CG-CE1 4.13Å; F786-F815 HydrophobicContact CG-CZ 4Å; F786-I835 HydrophobicContact CE1-CD1 4.39Å; F786-I835 HydrophobicContact CE2-CD1 3.94Å; F786-I835 HydrophobicContact CZ-CD1 3.82Å
787	T	88.8	Confident	90.3	Very high	94 Å²	94	35.9 Å²	35.9	58%	0.577	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114	132.8	173.2	54.7	0	0	0	0	109.4	H791 E792	T787-H791 WeakPolarHBondContact CA-O 3.41Å; T787-E792 HydrophobicContact CG2-CG 3.96Å
788	M	85.6	Confident	90.1	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.02	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	127.9	175	-171.5	169.7	59.6	0	0	108	F786 N790 H791 M793 I811 L836 W869 L870 L887	F786-M788 HydrophobicContact CD2-CB 4.14Å; F786-M788 HydrophobicContact CE2-CB 3.88Å; F786-M788 HydrophobicContact CE2-CE 4.27Å; F786-M788 HydrophobicContact CE2-SD 4.41Å; M788-N790 VanDerWaalsContact C-N 3.27Å; M788-N790 PolarHBondContact O-N 3.49Å; M788-H791 PolarHBondContact N-O 2.9Å; M788-H791 WeakPolarHBondContact O-CB 3.3Å; M788-H791 PolarHBondContact O-N 3.25Å; M788-M793 HydrophobicContact CE-SD 3.89Å; M788-I811 HydrophobicContact SD-CD1 4.36Å; M788-I811 HydrophobicContact SD-CG2 4.4Å; M788-L836 HydrophobicContact CE-CD2 4.47Å; M788-W869 HydrophobicContact CB-CH2 4.07Å; M788-W869 HydrophobicContact CB-CZ2 4.02Å; M788-W869 HydrophobicContact CE-CH2 3.55Å; M788-W869 HydrophobicContact CE-CZ2 3.73Å; M788-W869 HydrophobicContact CG-CH2 3.9Å; M788-W869 HydrophobicContact CG-CZ2 4.33Å; M788-W869 WeakPolarHBondContact O-CZ2 3.42Å; M788-W869 HydrophobicContact SD-CH2 4.45Å; M788-L870 HydrophobicContact CE-CD1 3.74Å; M788-L870 HydrophobicContact CE-CD2 4Å; M788-L870 HydrophobicContact CE-CG 4.37Å; M788-L887 HydrophobicContact CE-CD2 4.33Å; M788-L887 HydrophobicContact CG-CD2 4.36Å; M788-L887 HydrophobicContact SD-CD2 3.9Å
789	A	82	Confident	90	Very high	34 Å²	34	35.9 Å²	35.9	28%	0.281	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	34.7	179.7	0	0	0	0	0	115.4	H791 W869 S886	A789-H791 PolarHBondContact O-CD2 2.89Å; A789-H791 VanDerWaalsContact O-CD2 3.27Å; A789-H791 PolarHBondContact O-N 2.85Å; A789-W869 HydrophobicContact CB-CH2 3.75Å; A789-W869 HydrophobicContact CB-CZ3 3.85Å; A789-S886 VanDerWaalsContact CB-CB 3.48Å
790	N	84	Confident	90.2	Very high	169 Å²	169	34 Å²	34	90%	0.904	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.2	13.5	-173	-52.9	-39.9	0	0	0	115.5	M788	M788-N790 VanDerWaalsContact C-N 3.27Å; M788-N790 PolarHBondContact O-N 3.49Å
791	H	87.4	Confident	90.4	Very high	89 Å²	89	33.3 Å²	33.3	41%	0.412	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133.1	170.8	-66.3	-88.9	0	0	0	109.7	T787 M788 A789 W869	T787-H791 WeakPolarHBondContact CA-O 3.41Å; M788-H791 PolarHBondContact N-O 2.9Å; M788-H791 WeakPolarHBondContact O-CB 3.3Å; M788-H791 PolarHBondContact O-N 3.25Å; A789-H791 PolarHBondContact O-CD2 2.89Å; A789-H791 VanDerWaalsContact O-CD2 3.27Å; A789-H791 PolarHBondContact O-N 2.85Å; H791-W869 HydrophobicContact CB-CD2 4.04Å; H791-W869 VanDerWaalsContact CB-CE2 3.47Å; H791-W869 HydrophobicContact CB-CG 4.21Å; H791-W869 HydrophobicContact CB-CZ2 3.87Å; H791-W869 VanDerWaalsContact CB-NE1 3.31Å; H791-W869 AromaticContact CD2-CD2 3.76Å; H791-W869 AromaticContact CG-CD1 3.79Å; H791-W869 AromaticContact CG-CD2 3.8Å; H791-W869 AromaticContact CG-CE2 3.79Å; H791-W869 AromaticContact CG-CG 3.8Å; H791-W869 AromaticContact CG-NE1 3.77Å; H791-W869 AromaticContact ND1-CD1 3.91Å; H791-W869 AromaticContact ND1-CG 3.92Å
792	E	90.3	Very high	90.5	Very high	128 Å²	128	33.3 Å²	33.3	60%	0.598	18%	0.18	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80	130	170.3	-68.5	-175.8	-164.3	0	0	109.7	T787 K865	T787-E792 HydrophobicContact CG2-CG 3.96Å; E792-K865 HydrophobicContact CB-CD 4.28Å; E792-K865 IonicContact OE2-NZ 3.18Å; E792-K865 PolarHBondContact OE2-NZ 3.41Å
793	M	90.3	Very high	90.6	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	159.8	179.1	-65.5	-174.6	62.7	0	0	110.1	D785 F786 M788 C867 W869 L870	D785-M793 WeakPolarHBondContact CA-O 3.46Å; F786-M793 HydrophobicContact CD1-CB 4.12Å; F786-M793 HydrophobicContact CE1-CB 3.66Å; F786-M793 HydrophobicContact CE2-CB 4.14Å; F786-M793 HydrophobicContact CE2-SD 4.11Å; F786-M793 HydrophobicContact CZ-CB 3.68Å; F786-M793 HydrophobicContact CZ-CE 4Å; F786-M793 HydrophobicContact CZ-CG 4.39Å; F786-M793 HydrophobicContact CZ-SD 3.91Å; F786-M793 PolarHBondContact N-O 3.1Å; F786-M793 PolarHBondContact O-N 3.42Å; M788-M793 HydrophobicContact CE-SD 3.89Å; M793-C867 HydrophobicContact CE-CB 3.38Å; M793-W869 HydrophobicContact CG-CZ2 4.26Å; M793-W869 VanDerWaalsContact SD-CE2 3.59Å; M793-W869 HydrophobicContact SD-CH2 4.45Å; M793-W869 HydrophobicContact SD-CZ2 3.3Å; M793-W869 WeakPolarHBondContact SD-CZ2 3.37Å; M793-W869 PolarHBondContact SD-NE1 3Å; M793-W869 VanDerWaalsContact SD-NE1 3.41Å; M793-L870 HydrophobicContact CE-CB 4.32Å; M793-L870 HydrophobicContact CE-CD2 3.81Å
794	N	91.5	Very high	90.7	Very high	9 Å²	9	34.7 Å²	34.7	5%	0.048	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	131.4	172.4	-176.8	-107.5	0	0	0	107.7	D785 K865	D785-N794 PolarHBondContact OD1-ND2 2.98Å; N794-K865 HydrophobicContact CB-CB 4.42Å
795	Y	91.6	Very high	90.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	108.8	169.7	-154	-106.9	0	0	0	107.6	E783 G784 F786 C799 F815 I835 Y852 G853 D854	E783-Y795 VanDerWaalsContact CA-O 3.31Å; E783-Y795 WeakPolarHBondContact CA-O 3.31Å; E783-Y795 WeakPolarHBondContact CG-O 3.2Å; G784-Y795 PolarHBondContact N-O 3.16Å; G784-Y795 PolarHBondContact O-N 2.92Å; F786-Y795 HydrophobicContact CE1-CD2 4.23Å; Y795-C799 PolarHBondContact OH-O 3Å; Y795-F815 VanDerWaalsContact CB-CE1 3.5Å; Y795-F815 HydrophobicContact CD1-CD2 4.48Å; Y795-F815 HydrophobicContact CD1-CE2 4.23Å; Y795-F815 HydrophobicContact CD1-CZ 4.31Å; Y795-F815 HydrophobicContact CD2-CZ 4.28Å; Y795-F815 HydrophobicContact CG-CE1 4.18Å; Y795-F815 HydrophobicContact CG-CE2 4.16Å; Y795-F815 AromaticContact CG-CZ 3.82Å; Y795-F815 HydrophobicContact CG-CZ 3.82Å; Y795-I835 HydrophobicContact CD2-CG2 4.47Å; Y795-I835 HydrophobicContact CE1-CG2 4.05Å; Y795-I835 HydrophobicContact CE2-CB 3.99Å; Y795-I835 HydrophobicContact CE2-CG2 3.88Å; Y795-Y852 WeakPolarHBondContact CD2-OH 3.39Å; Y795-Y852 HydrophobicContact CE2-CE1 4.29Å; Y795-Y852 HydrophobicContact CE2-CE2 4.06Å; Y795-Y852 AromaticContact CE2-CZ 3.79Å; Y795-G853 WeakPolarHBondContact OH-CA 3.42Å; Y795-G853 PolarHBondContact OH-N 2.79Å; Y795-G853 PolarHBondContact OH-O 3.48Å; Y795-D854 VanDerWaalsContact CA-OD2 3.31Å; Y795-D854 WeakPolarHBondContact CA-OD2 3.49Å; Y795-D854 HydrophobicContact CD2-CB 3.68Å; Y795-D854 HydrophobicContact CE1-CB 4.38Å; Y795-D854 HydrophobicContact CE2-CB 3.39Å; Y795-D854 HydrophobicContact CG-CB 4.28Å
796	A	90	Very high	90.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	91.6	-168.5	0	0	0	0	0	111	G798 D854 N856	A796-G798 VanDerWaalsContact C-N 3.32Å; A796-G798 PolarHBondContact O-N 2.99Å; A796-D854 PolarHBondContact N-OD2 3.45Å; A796-N856 HydrophobicContact CB-CB 4.08Å; A796-N856 VanDerWaalsContact CB-ND2 3.3Å; A796-N856 WeakPolarHBondContact CB-ND2 3.21Å
797	S	89.9	Confident	90.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	59.7	41.3	177.8	-62	0	0	0	0	112.7	D649 L651 W734 L781 Y782 Q818	D649-S797 WeakPolarHBondContact O-CB 3.35Å; L651-S797 WeakPolarHBondContact CB-OG 3.35Å; L651-S797 PolarHBondContact N-OG 2.88Å; L651-S797 VanDerWaalsContact N-OG 3.14Å; W734-S797 WeakPolarHBondContact CB-O 3.21Å; L781-S797 WeakPolarHBondContact CD1-O 3.26Å; Y782-S797 WeakPolarHBondContact O-CA 3.38Å; Y782-S797 PolarHBondContact O-N 3.48Å; S797-Q818 VanDerWaalsContact CB-OE1 3.28Å; S797-Q818 PolarHBondContact OG-NE2 2.97Å; S797-Q818 PolarHBondContact OG-OE1 3.49Å
798	G	91.5	Very high	90.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	161.5	179.8	0	0	0	0	0	113.6	Y782 A796 G853	Y782-G798 PolarHBondContact N-O 3.41Å; Y782-G798 PolarHBondContact O-N 2.94Å; A796-G798 VanDerWaalsContact C-N 3.32Å; A796-G798 PolarHBondContact O-N 2.99Å; G798-G853 CarbonylContact C-O 3.32Å; G798-G853 WeakPolarHBondContact CA-O 3.44Å
799	C	93.4	Very high	90.8	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.007	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	166.3	173.7	65.7	0	0	0	0	112.9	S732 D733 I763 F777 G780 Y795 G853	S732-C799 PolarHBondContact OG-SG 3.35Å; D733-C799 PolarHBondContact O-SG 3.02Å; I763-C799 HydrophobicContact CD1-CB 3.57Å; F777-C799 VanDerWaalsContact CD1-SG 3.56Å; G780-C799 VanDerWaalsContact O-CA 3.26Å; G780-C799 WeakPolarHBondContact O-CA 3.35Å; Y795-C799 PolarHBondContact OH-O 3Å; C799-G853 PolarHBondContact N-O 3.22Å
800	S	94.5	Very high	91.3	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	165.6	172.8	72	0	0	0	0	112.5	F777 S778 Y782 V833 P834	F777-S800 CarbonylContact C-O 3.59Å; F777-S800 WeakPolarHBondContact CA-O 3.49Å; S778-S800 PolarHBondContact N-O 2.89Å; S778-S800 PolarHBondContact OG-O 3.02Å; S778-S800 PolarHBondContact OG-OG 3.17Å; Y782-S800 WeakPolarHBondContact CE2-OG 3.31Å; S800-V833 VanDerWaalsContact CB-CG1 3.49Å; S800-P834 CarbonylContact C-O 3.45Å; S800-P834 WeakPolarHBondContact CA-O 3.44Å; S800-P834 WeakPolarHBondContact CB-O 3.5Å
801	I	95.3	Very high	91.7	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	117.2	177.3	-57.1	172.2	0	0	0	109.4	F777 K803 F804 P834 G837 L851 P897	F777-I801 HydrophobicContact CD1-CG1 4.19Å; F777-I801 HydrophobicContact CE1-CG1 4.14Å; I801-K803 WeakPolarHBondContact CG2-O 2.9Å; I801-F804 HydrophobicContact CG2-CB 4.03Å; I801-F804 HydrophobicContact CG2-CD2 4.06Å; I801-F804 HydrophobicContact CG2-CG 4.41Å; I801-P834 HydrophobicContact CB-CB 4.25Å; I801-P834 HydrophobicContact CB-CG 4.35Å; I801-P834 PolarHBondContact N-O 3.04Å; I801-P834 WeakPolarHBondContact O-CG 3.34Å; I801-G837 VanDerWaalsContact CD1-N 3.35Å; I801-L851 HydrophobicContact CD1-CB 4.11Å; I801-P897 HydrophobicContact CG2-CG 4.35Å; I801-P897 WeakPolarHBondContact O-CG 3.36Å
802	A	94.2	Very high	92	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.008	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-39.5	179.2	0	0	0	0	0	113.1	A776 P897 G899 Y902 L904	A776-A802 PolarHBondContact O-N 3.05Å; A802-P897 WeakPolarHBondContact O-CB 3.09Å; A802-G899 VanDerWaalsContact O-CA 3.26Å; A802-G899 WeakPolarHBondContact O-CA 3.48Å; A802-G899 PolarHBondContact O-N 2.92Å; A802-Y902 HydrophobicContact CB-CG 4.23Å; A802-L904 HydrophobicContact CB-CD2 3.76Å
803	K	94.8	Very high	92.1	Very high	65 Å²	65	20.7 Å²	20.7	28%	0.283	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	134.1	-178	-68.4	-179.9	-179.4	178	0	109.9	M775 A776 I801 P897	M775-K803 WeakPolarHBondContact CA-O 3.4Å; A776-K803 HydrophobicContact CB-CB 4.05Å; A776-K803 HydrophobicContact CB-CD 4.34Å; A776-K803 HydrophobicContact CB-CG 4.39Å; A776-K803 PolarHBondContact N-O 3.41Å; A776-K803 PolarHBondContact O-N 2.83Å; I801-K803 WeakPolarHBondContact CG2-O 2.9Å; K803-P897 WeakPolarHBondContact CA-O 3.44Å
804	F	95.3	Very high	92.2	Very high	5 Å²	5	23.8 Å²	23.8	2%	0.022	12%	0.121	C	C	.	.			trans	-151.7	146.3	174.3	-153.6	-105.7	0	0	0	110.8	M775 I801 V810 G837 L851 P896 P897	M775-F804 HydrophobicContact CE-CD2 4.42Å; M775-F804 HydrophobicContact CE-CE2 3.88Å; M775-F804 HydrophobicContact CE-CZ 4.14Å; M775-F804 HydrophobicContact CG-CD2 3.9Å; M775-F804 HydrophobicContact CG-CE2 4.11Å; M775-F804 HydrophobicContact SD-CD2 4.25Å; M775-F804 HydrophobicContact SD-CE2 3.83Å; I801-F804 HydrophobicContact CG2-CB 4.03Å; I801-F804 HydrophobicContact CG2-CD2 4.06Å; I801-F804 HydrophobicContact CG2-CG 4.41Å; F804-V810 HydrophobicContact CB-CG2 4.08Å; F804-V810 HydrophobicContact CD1-CG2 3.46Å; F804-V810 VanDerWaalsContact CD1-CG2 3.46Å; F804-V810 HydrophobicContact CE1-CG2 4.06Å; F804-V810 HydrophobicContact CG-CG2 3.9Å; F804-G837 VanDerWaalsContact CZ-C 3.45Å; F804-L851 HydrophobicContact CD2-CD1 4.09Å; F804-L851 HydrophobicContact CE2-CD1 3.89Å; F804-L851 HydrophobicContact CE2-CG 4.18Å; F804-P896 HydrophobicContact CB-CB 4.16Å; F804-P896 HydrophobicContact CD1-CB 4.38Å; F804-P897 HydrophobicContact CB-CG 4.39Å; F804-P897 PolarHBondContact N-O 3.41Å
805	P	93.9	Very high	92.3	Very high	10 Å²	10	23.6 Å²	23.6	7%	0.065	12%	0.12	C	C	.	.			trans	-56.6	143.2	177.5	-27.7	35.5	0	0	0	113.5	W773 M775 D807 G808 Y839 P896	W773-P805 WeakPolarHBondContact O-CG 3.17Å; M775-P805 HydrophobicContact CE-CG 3.75Å; M775-P805 HydrophobicContact CG-CG 4.29Å; P805-D807 PolarHBondContact O-N 3.13Å; P805-G808 PolarHBondContact O-N 3.17Å; P805-Y839 HydrophobicContact CB-CD2 3.77Å; P805-Y839 HydrophobicContact CB-CE2 3.43Å; P805-Y839 VanDerWaalsContact CB-CE2 3.43Å; P805-Y839 HydrophobicContact CG-CD2 3.86Å; P805-Y839 HydrophobicContact CG-CE1 4.39Å; P805-Y839 HydrophobicContact CG-CE2 3.73Å; P805-Y839 HydrophobicContact CG-CG 4.28Å; P805-P896 WeakPolarHBondContact O-CB 3.44Å; P805-P896 WeakPolarHBondContact O-CG 3.06Å
806	E	88.3	Confident	92.4	Very high	172 Å²	172	28.4 Å²	28.4	80%	0.804	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-30.5	-174.9	-63.6	-170.2	167.8	0	0	113.7	G808	E806-G808 VanDerWaalsContact C-N 3.28Å
807	D	88.2	Confident	92.5	Very high	117 Å²	117	30.2 Å²	30.2	63%	0.626	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-3.7	178.4	35.3	-46.1	0	0	0	112.9	P805	P805-D807 PolarHBondContact O-N 3.13Å
808	G	89.7	Confident	92.4	Very high	3 Å²	3	30.4 Å²	30.4	3%	0.031	15%	0.152	C	C	.	.	S	Bend	trans	-77.3	164.2	174.1	0	0	0	0	0	114.7	P805 E806 P896	P805-G808 PolarHBondContact O-N 3.17Å; E806-G808 VanDerWaalsContact C-N 3.28Å; G808-P896 WeakPolarHBondContact O-CG 3.47Å
809	I	91.1	Very high	92.2	Very high	27 Å²	27	30.6 Å²	30.6	14%	0.138	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.4	171.5	-55.1	175.1	0	0	0	108	G837 L838 T883 R893	I809-G837 CarbonylContact O-C 3.59Å; I809-G837 WeakPolarHBondContact O-CA 3.36Å; I809-L838 HydrophobicContact CB-CB 4.24Å; I809-L838 PolarHBondContact N-O 3.21Å; I809-L838 PolarHBondContact O-N 3.22Å; I809-T883 HydrophobicContact CD1-CG2 4.06Å; I809-R893 HydrophobicContact CG2-CG 4.45Å
810	V	93.1	Very high	92	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.2	175.3	178.6	0	0	0	0	109.9	F804 P834 L836 R893 Q894 P896	F804-V810 HydrophobicContact CB-CG2 4.08Å; F804-V810 HydrophobicContact CD1-CG2 3.46Å; F804-V810 VanDerWaalsContact CD1-CG2 3.46Å; F804-V810 HydrophobicContact CE1-CG2 4.06Å; F804-V810 HydrophobicContact CG-CG2 3.9Å; V810-P834 HydrophobicContact CG1-CB 3.5Å; V810-P834 VanDerWaalsContact CG1-CB 3.5Å; V810-L836 CarbonylContact C-O 3.01Å; V810-L836 WeakPolarHBondContact CA-O 3.28Å; V810-R893 WeakPolarHBondContact O-CA 3.39Å; V810-Q894 PolarHBondContact O-N 2.83Å; V810-P896 HydrophobicContact CG2-CB 4.11Å; V810-P896 HydrophobicContact CG2-CG 4.15Å
811	I	92.4	Very high	91.7	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.3	173.2	-54.6	-173.5	0	0	0	108.2	M788 I835 L836 L887 N892	M788-I811 HydrophobicContact SD-CD1 4.36Å; M788-I811 HydrophobicContact SD-CG2 4.4Å; I811-I835 PolarHBondContact O-N 3.05Å; I811-L836 HydrophobicContact CB-CB 4.31Å; I811-L836 HydrophobicContact CD1-CD2 4.15Å; I811-L836 PolarHBondContact N-O 3.23Å; I811-L836 PolarHBondContact O-N 2.94Å; I811-L887 HydrophobicContact CD1-CB 4.2Å; I811-L887 HydrophobicContact CD1-CD2 3.82Å; I811-N892 HydrophobicContact CG2-CB 4.45Å
812	A	92.1	Very high	91.2	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	159.9	177.3	0	0	0	0	0	111.5	V833 N892 Q894	A812-V833 CarbonylContact C-O 3.59Å; A812-V833 WeakPolarHBondContact CA-O 3.33Å; A812-V833 WeakPolarHBondContact CB-O 3.26Å; A812-N892 PolarHBondContact N-O 2.9Å; A812-N892 WeakPolarHBondContact O-CB 3.46Å; A812-Q894 HydrophobicContact CB-CB 4.47Å; A812-Q894 HydrophobicContact CB-CG 3.85Å
813	Q	92.4	Very high	90.9	Very high	19 Å²	19	39.6 Å²	39.6	9%	0.089	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	165.1	175.8	-70.5	-65.2	-8.7	0	0	110	F786 F815 N832 V833 I835 N892	F786-Q813 HydrophobicContact CB-CG 4.39Å; F786-Q813 HydrophobicContact CD2-CG 3.74Å; F786-Q813 HydrophobicContact CE2-CG 4.21Å; F786-Q813 HydrophobicContact CG-CG 4.16Å; Q813-F815 HydrophobicContact CB-CD2 4.14Å; Q813-F815 HydrophobicContact CB-CE1 4.41Å; Q813-F815 HydrophobicContact CB-CE2 3.4Å; Q813-F815 VanDerWaalsContact CB-CE2 3.4Å; Q813-F815 HydrophobicContact CB-CZ 3.57Å; Q813-F815 HydrophobicContact CG-CE2 4.36Å; Q813-F815 HydrophobicContact CG-CZ 4.23Å; Q813-N832 PolarHBondContact O-N 3.06Å; Q813-V833 PolarHBondContact N-O 2.91Å; Q813-V833 WeakPolarHBondContact O-CB 3.33Å; Q813-V833 PolarHBondContact O-N 3.42Å; Q813-I835 HydrophobicContact CB-CD1 4.1Å; Q813-I835 HydrophobicContact CG-CD1 3.6Å; Q813-I835 HydrophobicContact CG-CG1 4.29Å; Q813-N892 VanDerWaalsContact CD-ND2 3.32Å; Q813-N892 PolarHBondContact NE2-ND2 3.01Å; Q813-N892 VanDerWaalsContact NE2-ND2 3.14Å; Q813-N892 PolarHBondContact OE1-ND2 3.14Å
814	T	93	Very high	90.5	Very high	67 Å²	67	43 Å²	43	41%	0.411	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.5	176.5	-61.6	0	0	0	0	109.3	I829 V830 E831	T814-I829 HydrophobicContact CG2-CG2 3.44Å; T814-I829 VanDerWaalsContact CG2-CG2 3.44Å; T814-V830 WeakPolarHBondContact CA-O 3.32Å; T814-E831 HydrophobicContact CG2-CB 4.48Å; T814-E831 HydrophobicContact CG2-CG 3.92Å
815	F	94.2	Very high	89.9	Confident	5 Å²	5	51 Å²	51	2%	0.022	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	168.6	-176.7	-69.2	-59.5	0	0	0	112.4	Y782 G784 F786 Y795 Q813 I829 V830 V833 I835	Y782-F815 HydrophobicContact CD1-CB 4.37Å; Y782-F815 HydrophobicContact CG-CB 4.47Å; G784-F815 WeakPolarHBondContact O-CE1 3.15Å; F786-F815 HydrophobicContact CB-CE1 4.15Å; F786-F815 HydrophobicContact CB-CZ 4.36Å; F786-F815 AromaticContact CD1-CE1 3.6Å; F786-F815 HydrophobicContact CD1-CE1 3.6Å; F786-F815 AromaticContact CD1-CZ 3.56Å; F786-F815 HydrophobicContact CD1-CZ 3.56Å; F786-F815 HydrophobicContact CE1-CE1 4.3Å; F786-F815 AromaticContact CE1-CZ 3.93Å; F786-F815 HydrophobicContact CE1-CZ 3.93Å; F786-F815 HydrophobicContact CG-CE1 4.13Å; F786-F815 HydrophobicContact CG-CZ 4Å; Y795-F815 VanDerWaalsContact CB-CE1 3.5Å; Y795-F815 HydrophobicContact CD1-CD2 4.48Å; Y795-F815 HydrophobicContact CD1-CE2 4.23Å; Y795-F815 HydrophobicContact CD1-CZ 4.31Å; Y795-F815 HydrophobicContact CD2-CZ 4.28Å; Y795-F815 HydrophobicContact CG-CE1 4.18Å; Y795-F815 HydrophobicContact CG-CE2 4.16Å; Y795-F815 AromaticContact CG-CZ 3.82Å; Y795-F815 HydrophobicContact CG-CZ 3.82Å; Q813-F815 HydrophobicContact CB-CD2 4.14Å; Q813-F815 HydrophobicContact CB-CE1 4.41Å; Q813-F815 HydrophobicContact CB-CE2 3.4Å; Q813-F815 VanDerWaalsContact CB-CE2 3.4Å; Q813-F815 HydrophobicContact CB-CZ 3.57Å; Q813-F815 HydrophobicContact CG-CE2 4.36Å; Q813-F815 HydrophobicContact CG-CZ 4.23Å; F815-I829 WeakPolarHBondContact O-CA 3.32Å; F815-V830 PolarHBondContact N-O 2.77Å; F815-V830 PolarHBondContact O-N 2.95Å; F815-V833 HydrophobicContact CD2-CB 4.07Å; F815-V833 HydrophobicContact CD2-CG1 4.29Å; F815-I835 HydrophobicContact CD2-CG2 4.23Å; F815-I835 HydrophobicContact CE2-CD1 4.03Å; F815-I835 HydrophobicContact CE2-CG2 3.53Å; F815-I835 HydrophobicContact CZ-CD1 4.05Å; F815-I835 HydrophobicContact CZ-CG2 4.45Å
816	K	92.7	Very high	89.5	Confident	102 Å²	102	55.8 Å²	55.8	44%	0.443	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	138.3	166.9	-62.5	175.4	-176.6	173.7	0	109.1	Y782 E783 Q818 A828	Y782-K816 WeakPolarHBondContact CA-O 3.49Å; E783-K816 PolarHBondContact N-O 3.17Å; E783-K816 WeakPolarHBondContact O-CB 3.24Å; E783-K816 PolarHBondContact O-N 3.11Å; K816-Q818 PolarHBondContact O-N 3.29Å; K816-Q818 VanDerWaalsContact O-N 3.14Å; K816-A828 CarbonylContact C-O 3.45Å; K816-A828 WeakPolarHBondContact CA-O 3.33Å
817	D	91.9	Very high	89.2	Confident	37 Å²	37	52.6 Å²	52.6	20%	0.198	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	97.5	170.9	-173.7	-21.2	0	0	0	109.1	G819 L820 E821 A828 V830	D817-G819 VanDerWaalsContact C-N 3.33Å; D817-G819 WeakPolarHBondContact OD1-CA 3.33Å; D817-G819 PolarHBondContact OD1-N 2.81Å; D817-L820 HydrophobicContact CB-CB 4.11Å; D817-L820 PolarHBondContact OD1-N 2.86Å; D817-E821 PolarHBondContact O-N 3.07Å; D817-A828 HydrophobicContact CB-CB 4.41Å; D817-A828 PolarHBondContact N-O 2.7Å; D817-V830 HydrophobicContact CB-CG2 4Å
818	Q	89	Confident	89.3	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.019	25%	0.251	C	S	.	.	H	α-helix	trans	-77.6	-24.2	-179.5	-167.9	-162.8	52.6	0	0	111	L781 E783 S797 K816 E821 V822	L781-Q818 HydrophobicContact CD2-CB 4.26Å; L781-Q818 HydrophobicContact CD2-CG 4.42Å; L781-Q818 HydrophobicContact CG-CB 4.12Å; L781-Q818 PolarHBondContact O-N 3.04Å; E783-Q818 HydrophobicContact CB-CB 4.01Å; E783-Q818 HydrophobicContact CB-CG 4.37Å; E783-Q818 PolarHBondContact OE2-NE2 3.3Å; S797-Q818 VanDerWaalsContact CB-OE1 3.28Å; S797-Q818 PolarHBondContact OG-NE2 2.97Å; S797-Q818 PolarHBondContact OG-OE1 3.49Å; K816-Q818 PolarHBondContact O-N 3.29Å; K816-Q818 VanDerWaalsContact O-N 3.14Å; Q818-E821 PolarHBondContact O-N 3.03Å; Q818-V822 HydrophobicContact CG-CG2 4.35Å; Q818-V822 WeakPolarHBondContact O-CB 3.46Å; Q818-V822 VanDerWaalsContact O-CG2 3.29Å; Q818-V822 WeakPolarHBondContact O-CG2 3.34Å; Q818-V822 PolarHBondContact O-N 3.09Å
819	G	87.2	Confident	89.3	Confident	5 Å²	5	54.3 Å²	54.3	5%	0.052	28%	0.279	C	S	.	.	H	α-helix	trans	-60.7	-47.2	171.4	0	0	0	0	0	111.7	L781 D817 V822 L823	L781-G819 PolarHBondContact O-N 2.94Å; D817-G819 VanDerWaalsContact C-N 3.33Å; D817-G819 WeakPolarHBondContact OD1-CA 3.33Å; D817-G819 PolarHBondContact OD1-N 2.81Å; G819-V822 PolarHBondContact O-N 3.14Å; G819-L823 VanDerWaalsContact O-CB 3.3Å; G819-L823 WeakPolarHBondContact O-CB 3.49Å; G819-L823 WeakPolarHBondContact O-CG 3.29Å; G819-L823 PolarHBondContact O-N 3.21Å
820	L	88.4	Confident	89.2	Confident	37 Å²	37	55.1 Å²	55.1	19%	0.194	29%	0.285	C	S	.	.	H	α-helix	trans	-64.9	-39.8	174.5	-164.5	73.6	0	0	0	112	D817 L823 K824 Q825 E826 A828	D817-L820 HydrophobicContact CB-CB 4.11Å; D817-L820 PolarHBondContact OD1-N 2.86Å; L820-L823 PolarHBondContact O-N 2.88Å; L820-K824 HydrophobicContact CD1-CB 4.46Å; L820-K824 HydrophobicContact CD1-CD 3.64Å; L820-K824 HydrophobicContact CD1-CG 4.11Å; L820-K824 WeakPolarHBondContact O-CA 3.44Å; L820-K824 PolarHBondContact O-N 3.09Å; L820-Q825 PolarHBondContact O-N 3.34Å; L820-E826 CarbonylContact C-O 3.52Å; L820-E826 HydrophobicContact CD2-CB 4.28Å; L820-E826 HydrophobicContact CG-CB 4.42Å; L820-A828 HydrophobicContact CD2-CB 3.63Å
821	E	87.8	Confident	89	Confident	53 Å²	53	61.6 Å²	61.6	25%	0.248	32%	0.315	C	S	.	.	H	α-helix	trans	-60.6	-47.6	175.7	-172.9	-177.3	161.8	0	0	110.9	R652 D817 Q818 Q825 E826 T827	R652-E821 IonicContact NH2-OE2 2.95Å; D817-E821 PolarHBondContact O-N 3.07Å; Q818-E821 PolarHBondContact O-N 3.03Å; E821-Q825 WeakPolarHBondContact O-CA 3.44Å; E821-Q825 PolarHBondContact O-N 2.76Å; E821-E826 WeakPolarHBondContact CA-O 3.47Å; E821-E826 PolarHBondContact N-O 2.97Å; E821-T827 HydrophobicContact CG-CG2 4.09Å
822	V	86.2	Confident	88.8	Confident	39 Å²	39	65.5 Å²	65.5	24%	0.236	34%	0.336	C	S	.	.	H	α-helix	trans	-66.1	-42.7	179.2	172.9	0	0	0	0	110.4	V739 K742 V743 Q818 G819	V739-V822 HydrophobicContact CG1-CG1 4.1Å; K742-V822 HydrophobicContact CD-CG1 4.17Å; K742-V822 VanDerWaalsContact CD-O 3.23Å; K742-V822 WeakPolarHBondContact CD-O 3.35Å; K742-V822 WeakPolarHBondContact CE-O 3.25Å; K742-V822 PolarHBondContact NZ-O 2.57Å; V743-V822 HydrophobicContact CG2-CG1 4.42Å; Q818-V822 HydrophobicContact CG-CG2 4.35Å; Q818-V822 WeakPolarHBondContact O-CB 3.46Å; Q818-V822 VanDerWaalsContact O-CG2 3.29Å; Q818-V822 WeakPolarHBondContact O-CG2 3.34Å; Q818-V822 PolarHBondContact O-N 3.09Å; G819-V822 PolarHBondContact O-N 3.14Å
823	L	87.6	Confident	88.8	Confident	62 Å²	62	65.6 Å²	65.6	33%	0.325	34%	0.337	S	S	.	.	H	α-helix	trans	-77.9	-46.5	-174.9	-68.6	172.7	0	0	0	114	V739 K742 G819 L820	V739-L823 HydrophobicContact CG2-CD1 4.42Å; V739-L823 HydrophobicContact CG2-CG 4.27Å; K742-L823 HydrophobicContact CB-CD2 4.35Å; K742-L823 HydrophobicContact CD-CD2 4.04Å; K742-L823 VanDerWaalsContact NZ-C 3.35Å; K742-L823 PolarHBondContact NZ-O 2.66Å; G819-L823 VanDerWaalsContact O-CB 3.3Å; G819-L823 WeakPolarHBondContact O-CB 3.49Å; G819-L823 WeakPolarHBondContact O-CG 3.29Å; G819-L823 PolarHBondContact O-N 3.21Å; L820-L823 PolarHBondContact O-N 2.88Å
824	K	86.6	Confident	88.9	Confident	136 Å²	136	64.8 Å²	64.8	59%	0.591	33%	0.333	S	S	*	.	H	α-helix	trans	-113.9	-5.2	-172.5	-60	-170.7	-168.8	168.9	0	114.6	L820 E826	L820-K824 HydrophobicContact CD1-CB 4.46Å; L820-K824 HydrophobicContact CD1-CD 3.64Å; L820-K824 HydrophobicContact CD1-CG 4.11Å; L820-K824 WeakPolarHBondContact O-CA 3.44Å; L820-K824 PolarHBondContact O-N 3.09Å; K824-E826 HydrophobicContact CB-CB 4.36Å; K824-E826 HydrophobicContact CB-CG 4.23Å; K824-E826 PolarHBondContact O-N 2.65Å
825	Q	82.3	Confident	88.9	Confident	172 Å²	172	61.6 Å²	61.6	80%	0.804	31%	0.314	S	S	*	.	S	Bend	trans	59.9	21	-171.8	-58.2	179.7	-17.6	0	0	113.5	L820 E821	L820-Q825 PolarHBondContact O-N 3.34Å; E821-Q825 WeakPolarHBondContact O-CA 3.44Å; E821-Q825 PolarHBondContact O-N 2.76Å
826	E	85.3	Confident	88.9	Confident	112 Å²	112	61.4 Å²	61.4	52%	0.523	31%	0.313	S	S	.	.			trans	-102.6	138	175.7	-69.5	176.2	171.5	0	0	109.2	L820 E821 K824	L820-E826 CarbonylContact C-O 3.52Å; L820-E826 HydrophobicContact CD2-CB 4.28Å; L820-E826 HydrophobicContact CG-CB 4.42Å; E821-E826 WeakPolarHBondContact CA-O 3.47Å; E821-E826 PolarHBondContact N-O 2.97Å; K824-E826 HydrophobicContact CB-CB 4.36Å; K824-E826 HydrophobicContact CB-CG 4.23Å; K824-E826 PolarHBondContact O-N 2.65Å
827	T	82.3	Confident	89	Confident	105 Å²	105	56.5 Å²	56.5	64%	0.644	29%	0.292	S	S	*	.			trans	-101.9	115.1	175.4	50.7	0	0	0	0	108.8	E821	E821-T827 HydrophobicContact CG-CG2 4.09Å
828	A	89.8	Confident	89.1	Confident	34 Å²	34	54.9 Å²	54.9	28%	0.281	28%	0.283	S	S	.	.			trans	-111.6	141.4	172	0	0	0	0	0	109.2	K816 D817 L820	K816-A828 CarbonylContact C-O 3.45Å; K816-A828 WeakPolarHBondContact CA-O 3.33Å; D817-A828 HydrophobicContact CB-CB 4.41Å; D817-A828 PolarHBondContact N-O 2.7Å; L820-A828 HydrophobicContact CD2-CB 3.63Å
829	I	90.4	Very high	89.4	Confident	121 Å²	121	55.8 Å²	55.8	62%	0.621	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	125.9	172.5	-61.8	172.8	0	0	0	107	T814 F815	T814-I829 HydrophobicContact CG2-CG2 3.44Å; T814-I829 VanDerWaalsContact CG2-CG2 3.44Å; F815-I829 WeakPolarHBondContact O-CA 3.32Å
830	V	89.8	Confident	89.6	Confident	45 Å²	45	59 Å²	59	27%	0.273	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	116.2	176.7	-175.9	0	0	0	0	107.3	Y782 T814 F815 D817 V833	Y782-V830 HydrophobicContact CE1-CB 4.09Å; Y782-V830 HydrophobicContact CE1-CG1 4.23Å; Y782-V830 HydrophobicContact CE1-CG2 4.18Å; T814-V830 WeakPolarHBondContact CA-O 3.32Å; F815-V830 PolarHBondContact N-O 2.77Å; F815-V830 PolarHBondContact O-N 2.95Å; D817-V830 HydrophobicContact CB-CG2 4Å; V830-V833 HydrophobicContact CB-CG2 3.95Å; V830-V833 HydrophobicContact CG1-CG2 3.67Å
831	E	88.2	Confident	89.8	Confident	136 Å²	136	57.6 Å²	57.6	64%	0.636	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	155.4	172.7	-62.9	-177.9	175.6	0	0	109.9	T814 V833	T814-E831 HydrophobicContact CG2-CB 4.48Å; T814-E831 HydrophobicContact CG2-CG 3.92Å; E831-V833 PolarHBondContact O-N 3.05Å
832	N	88.7	Confident	89.7	Confident	83 Å²	83	60.1 Å²	60.1	44%	0.444	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	64.2	38.5	168.2	-57.3	-33.9	0	0	0	114.7	Q813 P834 Q894	Q813-N832 PolarHBondContact O-N 3.06Å; N832-P834 WeakPolarHBondContact O-CD 3.24Å; N832-Q894 PolarHBondContact OD1-NE2 3.41Å
833	V	91.6	Very high	89.6	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.018	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	116.2	175.4	-178.6	0	0	0	0	110.1	Y782 S800 A812 Q813 F815 V830 E831 I835	Y782-V833 HydrophobicContact CD1-CG1 4.15Å; Y782-V833 HydrophobicContact CD1-CG2 3.84Å; Y782-V833 HydrophobicContact CD2-CG1 3.53Å; Y782-V833 HydrophobicContact CE1-CG1 4.22Å; Y782-V833 HydrophobicContact CE1-CG2 3.73Å; Y782-V833 HydrophobicContact CE2-CG1 3.61Å; Y782-V833 HydrophobicContact CG-CG1 3.8Å; Y782-V833 HydrophobicContact CG-CG2 4.3Å; S800-V833 VanDerWaalsContact CB-CG1 3.49Å; A812-V833 CarbonylContact C-O 3.59Å; A812-V833 WeakPolarHBondContact CA-O 3.33Å; A812-V833 WeakPolarHBondContact CB-O 3.26Å; Q813-V833 PolarHBondContact N-O 2.91Å; Q813-V833 WeakPolarHBondContact O-CB 3.33Å; Q813-V833 PolarHBondContact O-N 3.42Å; F815-V833 HydrophobicContact CD2-CB 4.07Å; F815-V833 HydrophobicContact CD2-CG1 4.29Å; V830-V833 HydrophobicContact CB-CG2 3.95Å; V830-V833 HydrophobicContact CG1-CG2 3.67Å; E831-V833 PolarHBondContact O-N 3.05Å; V833-I835 HydrophobicContact CG1-CG2 4.2Å; V833-I835 PolarHBondContact O-N 3.03Å
834	P	93.6	Very high	89.2	Confident	3 Å²	3	67 Å²	67	2%	0.019	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	119.4	179.6	30.3	-35	0	0	0	111	S800 I801 V810 N832 P897	S800-P834 CarbonylContact C-O 3.45Å; S800-P834 WeakPolarHBondContact CA-O 3.44Å; S800-P834 WeakPolarHBondContact CB-O 3.5Å; I801-P834 HydrophobicContact CB-CB 4.25Å; I801-P834 HydrophobicContact CB-CG 4.35Å; I801-P834 PolarHBondContact N-O 3.04Å; I801-P834 WeakPolarHBondContact O-CG 3.34Å; V810-P834 HydrophobicContact CG1-CB 3.5Å; V810-P834 VanDerWaalsContact CG1-CB 3.5Å; N832-P834 WeakPolarHBondContact O-CD 3.24Å; P834-P897 HydrophobicContact CG-CG 4.46Å
835	I	93.5	Very high	88.9	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	-23.3	-174.7	57	165.2	0	0	0	114.8	F786 Y795 I811 Q813 F815 V833 Y852 G853	F786-I835 HydrophobicContact CE1-CD1 4.39Å; F786-I835 HydrophobicContact CE2-CD1 3.94Å; F786-I835 HydrophobicContact CZ-CD1 3.82Å; Y795-I835 HydrophobicContact CD2-CG2 4.47Å; Y795-I835 HydrophobicContact CE1-CG2 4.05Å; Y795-I835 HydrophobicContact CE2-CB 3.99Å; Y795-I835 HydrophobicContact CE2-CG2 3.88Å; I811-I835 PolarHBondContact O-N 3.05Å; Q813-I835 HydrophobicContact CB-CD1 4.1Å; Q813-I835 HydrophobicContact CG-CD1 3.6Å; Q813-I835 HydrophobicContact CG-CG1 4.29Å; F815-I835 HydrophobicContact CD2-CG2 4.23Å; F815-I835 HydrophobicContact CE2-CD1 4.03Å; F815-I835 HydrophobicContact CE2-CG2 3.53Å; F815-I835 HydrophobicContact CZ-CD1 4.05Å; F815-I835 HydrophobicContact CZ-CG2 4.45Å; V833-I835 HydrophobicContact CG1-CG2 4.2Å; V833-I835 PolarHBondContact O-N 3.03Å; I835-Y852 HydrophobicContact CD1-CE2 4.32Å; I835-Y852 WeakPolarHBondContact O-CA 3.46Å; I835-Y852 WeakPolarHBondContact O-CD2 3.38Å; I835-G853 PolarHBondContact O-N 3.5Å
836	L	94.6	Very high	89.1	Confident	0 Å²	0	56 Å²	56	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	123	-178.9	176.8	63	0	0	0	109.9	M788 V810 I811 L838 V850 L851 Y852 L870 L874 L887	M788-L836 HydrophobicContact CE-CD2 4.47Å; V810-L836 CarbonylContact C-O 3.01Å; V810-L836 WeakPolarHBondContact CA-O 3.28Å; I811-L836 HydrophobicContact CB-CB 4.31Å; I811-L836 HydrophobicContact CD1-CD2 4.15Å; I811-L836 PolarHBondContact N-O 3.23Å; I811-L836 PolarHBondContact O-N 2.94Å; L836-L838 HydrophobicContact CD1-CD2 4.28Å; L836-V850 HydrophobicContact CD1-CG1 3.87Å; L836-L851 WeakPolarHBondContact CA-O 3.45Å; L836-Y852 HydrophobicContact CB-CD2 4.17Å; L836-Y852 HydrophobicContact CD1-CD2 4.18Å; L836-L870 HydrophobicContact CD2-CD1 4.06Å; L836-L874 HydrophobicContact CD1-CD1 4.49Å; L836-L874 HydrophobicContact CD1-CD2 3.94Å; L836-L874 HydrophobicContact CD2-CD2 4.39Å; L836-L887 HydrophobicContact CD2-CD1 4.41Å; L836-L887 HydrophobicContact CD2-CD2 4.16Å
837	G	94.9	Very high	89.5	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.4	175.1	0	0	0	0	0	111.2	I801 F804 I809 V850 L851	I801-G837 VanDerWaalsContact CD1-N 3.35Å; F804-G837 VanDerWaalsContact CZ-C 3.45Å; I809-G837 CarbonylContact O-C 3.59Å; I809-G837 WeakPolarHBondContact O-CA 3.36Å; G837-V850 VanDerWaalsContact O-CA 3.3Å; G837-V850 WeakPolarHBondContact O-CA 3.4Å; G837-L851 PolarHBondContact N-O 3.42Å; G837-L851 PolarHBondContact O-N 3.17Å
838	L	94.4	Very high	90.1	Very high	2 Å²	2	48 Å²	48	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.5	171.8	-52.2	174.2	0	0	0	109.2	I809 L836 V850 L874 Y877 T883 L887	I809-L838 HydrophobicContact CB-CB 4.24Å; I809-L838 PolarHBondContact N-O 3.21Å; I809-L838 PolarHBondContact O-N 3.22Å; L836-L838 HydrophobicContact CD1-CD2 4.28Å; L838-V850 HydrophobicContact CD2-CB 4.3Å; L838-V850 HydrophobicContact CD2-CG1 3.89Å; L838-V850 HydrophobicContact CD2-CG2 3.65Å; L838-L874 HydrophobicContact CD2-CD2 3.79Å; L838-Y877 HydrophobicContact CB-CE1 3.92Å; L838-Y877 HydrophobicContact CD2-CD1 3.98Å; L838-Y877 HydrophobicContact CD2-CE1 4.12Å; L838-T883 HydrophobicContact CD1-CG2 4.26Å; L838-L887 HydrophobicContact CD1-CD1 4.27Å
839	Y	94	Very high	90.4	Very high	23 Å²	23	46.3 Å²	46.3	9%	0.09	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	144.5	179.8	-175.1	-113.8	0	0	0	111.2	M775 P805 V841 P842 R848 I849 Y877	M775-Y839 VanDerWaalsContact CE-CB 3.43Å; M775-Y839 HydrophobicContact CE-CD1 3.31Å; M775-Y839 HydrophobicContact CE-CD2 4.28Å; M775-Y839 HydrophobicContact CE-CE1 4.1Å; M775-Y839 HydrophobicContact CE-CG 3.41Å; M775-Y839 VanDerWaalsContact CE-CG 3.41Å; P805-Y839 HydrophobicContact CB-CD2 3.77Å; P805-Y839 HydrophobicContact CB-CE2 3.43Å; P805-Y839 VanDerWaalsContact CB-CE2 3.43Å; P805-Y839 HydrophobicContact CG-CD2 3.86Å; P805-Y839 HydrophobicContact CG-CE1 4.39Å; P805-Y839 HydrophobicContact CG-CE2 3.73Å; P805-Y839 HydrophobicContact CG-CG 4.28Å; Y839-V841 HydrophobicContact CD1-CG2 4.15Å; Y839-V841 HydrophobicContact CE1-CG2 3.98Å; Y839-P842 WeakPolarHBondContact OH-CD 3.48Å; Y839-R848 WeakPolarHBondContact O-CA 3.49Å; Y839-I849 HydrophobicContact CD1-CD1 4.39Å; Y839-I849 PolarHBondContact N-O 3.06Å; Y839-I849 PolarHBondContact O-N 3.43Å; Y839-Y877 PolarHBondContact O-OH 3.1Å
840	Q	92.8	Very high	90.7	Very high	73 Å²	73	40.6 Å²	40.6	34%	0.341	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120.5	173.9	170.3	63.9	67.4	0	0	106.7	G846 G847	Q840-G846 PolarHBondContact NE2-O 2.92Å; Q840-G847 PolarHBondContact NE2-O 3.19Å
841	V	91.9	Very high	91.1	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.042	21%	0.214	C	C	.	.			trans	-66.9	135.7	179.7	178.8	0	0	0	0	109.2	V722 Y839 S843 G847 I849	V722-V841 HydrophobicContact CG1-CG2 3.75Å; Y839-V841 HydrophobicContact CD1-CG2 4.15Å; Y839-V841 HydrophobicContact CE1-CG2 3.98Å; V841-S843 PolarHBondContact O-N 2.95Å; V841-G847 WeakPolarHBondContact CB-O 3.35Å; V841-G847 WeakPolarHBondContact CG2-O 3.3Å; V841-G847 PolarHBondContact N-O 2.97Å; V841-I849 HydrophobicContact CG2-CD1 4.14Å; V841-I849 HydrophobicContact CG2-CG1 4.38Å
842	P	86.3	Confident	91.5	Very high	106 Å²	106	32 Å²	32	69%	0.688	18%	0.184	S	C	*	.	S	Bend	trans	-73.6	-2.6	-173.4	27.4	-36.1	0	0	0	114.7	Y839	Y839-P842 WeakPolarHBondContact OH-CD 3.48Å
843	S	84.3	Confident	91.7	Very high	41 Å²	41	28 Å²	28	29%	0.287	16%	0.163	S	C	.	.	S	Bend	trans	-67.2	149.5	174.6	58	0	0	0	0	111.6	D723 V841 G845 G846	D723-S843 PolarHBondContact O-OG 2.92Å; V841-S843 PolarHBondContact O-N 2.95Å; S843-G845 PolarHBondContact O-N 2.79Å; S843-G846 PolarHBondContact O-N 3.31Å; S843-G846 WeakPolarHBondContact OG-CA 3.3Å
844	E	78.6	Confident	91.8	Very high	206 Å²	206	27.9 Å²	27.9	96%	0.963	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	111.6	174.9	-71.7	-166.2	165.4	0	0	110.2	G846	E844-G846 VanDerWaalsContact C-N 3.29Å
845	G	79.4	Confident	91.7	Very high	68 Å²	68	27.7 Å²	27.7	70%	0.701	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.4	15.1	-174.5	0	0	0	0	0	114.4	G725 S843	G725-G845 WeakPolarHBondContact CA-O 3.43Å; S843-G845 PolarHBondContact O-N 2.79Å
846	G	87.5	Confident	91.6	Very high	7 Å²	7	27.9 Å²	27.9	7%	0.072	16%	0.162	C	C	.	.			trans	-56.7	151.8	176.3	0	0	0	0	0	113.7	Q840 S843 E844	Q840-G846 PolarHBondContact NE2-O 2.92Å; S843-G846 PolarHBondContact O-N 3.31Å; S843-G846 WeakPolarHBondContact OG-CA 3.3Å; E844-G846 VanDerWaalsContact C-N 3.29Å
847	G	93.5	Very high	91.3	Very high	1 Å²	1	28 Å²	28	1%	0.01	16%	0.163	C	C	.	.			trans	-68.7	174	178.1	0	0	0	0	0	113.2	V722 L726 Q840 V841	V722-G847 WeakPolarHBondContact O-CA 3.33Å; V722-G847 PolarHBondContact O-N 2.84Å; L726-G847 WeakPolarHBondContact O-CA 3.45Å; Q840-G847 PolarHBondContact NE2-O 3.19Å; V841-G847 WeakPolarHBondContact CB-O 3.35Å; V841-G847 WeakPolarHBondContact CG2-O 3.3Å; V841-G847 PolarHBondContact N-O 2.97Å
848	R	94.9	Very high	91.2	Very high	48 Å²	48	28 Å²	28	18%	0.181	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	141.1	174.2	-71.2	172.9	-164.2	111.5	15.5	110.1	S727 L728 Y839 Y877 T878 G881	S727-R848 CarbonylContact C-O 3.6Å; S727-R848 WeakPolarHBondContact CA-O 3.37Å; S727-R848 VanDerWaalsContact CB-O 3.28Å; S727-R848 WeakPolarHBondContact CB-O 3.06Å; S727-R848 PolarHBondContact OG-N 2.96Å; L728-R848 PolarHBondContact N-O 2.86Å; Y839-R848 WeakPolarHBondContact O-CA 3.49Å; R848-Y877 HydrophobicContact CB-CD1 4.21Å; R848-Y877 HydrophobicContact CB-CE1 3.66Å; R848-Y877 WeakPolarHBondContact CD-O 3.21Å; R848-Y877 HydrophobicContact CG-CE1 3.97Å; R848-Y877 PolarHBondContact NE-O 3.31Å; R848-Y877 PolarHBondContact NH1-O 3.38Å; R848-T878 HydrophobicContact CB-CG2 4.38Å; R848-T878 PolarHBondContact NH1-O 3.4Å; R848-G881 VanDerWaalsContact CZ-N 3.32Å
849	I	96.3	Very high	91	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.2	179.7	-54.5	176.3	0	0	0	108.2	V722 L728 W773 M775 Y839 V841 L851	V722-I849 HydrophobicContact CG1-CD1 4.15Å; V722-I849 HydrophobicContact CG1-CG1 4.13Å; L728-I849 HydrophobicContact CB-CG1 4.38Å; L728-I849 HydrophobicContact CB-CG2 4.44Å; L728-I849 HydrophobicContact CD2-CG2 4.27Å; L728-I849 CarbonylContact O-C 3.29Å; L728-I849 WeakPolarHBondContact O-CA 3.48Å; W773-I849 HydrophobicContact CB-CD1 4.29Å; W773-I849 HydrophobicContact CD2-CD1 3.41Å; W773-I849 VanDerWaalsContact CD2-CD1 3.41Å; W773-I849 VanDerWaalsContact CE2-CD1 3.48Å; W773-I849 HydrophobicContact CE3-CD1 3.94Å; W773-I849 HydrophobicContact CG-CD1 3.57Å; W773-I849 HydrophobicContact CZ2-CD1 4.05Å; W773-I849 HydrophobicContact CZ3-CD1 4.47Å; M775-I849 HydrophobicContact CE-CB 4.26Å; M775-I849 HydrophobicContact CE-CD1 4.23Å; M775-I849 HydrophobicContact CE-CG2 4.28Å; M775-I849 HydrophobicContact SD-CB 4.43Å; M775-I849 HydrophobicContact SD-CD1 4.46Å; M775-I849 HydrophobicContact SD-CG2 3.82Å; Y839-I849 HydrophobicContact CD1-CD1 4.39Å; Y839-I849 PolarHBondContact N-O 3.06Å; Y839-I849 PolarHBondContact O-N 3.43Å; V841-I849 HydrophobicContact CG2-CD1 4.14Å; V841-I849 HydrophobicContact CG2-CG1 4.38Å; I849-L851 HydrophobicContact CG2-CD2 4.3Å
850	V	96.8	Very high	90.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.3	176.1	178.7	0	0	0	0	109.4	L728 I729 V730 L836 G837 L838 L874 Y877 T878	L728-V850 PolarHBondContact O-N 2.76Å; I729-V850 HydrophobicContact CG1-CB 4.23Å; I729-V850 HydrophobicContact CG1-CG2 4.4Å; I729-V850 HydrophobicContact CG2-CB 4.38Å; I729-V850 HydrophobicContact CG2-CG1 4.43Å; V730-V850 PolarHBondContact N-O 3.01Å; L836-V850 HydrophobicContact CD1-CG1 3.87Å; G837-V850 VanDerWaalsContact O-CA 3.3Å; G837-V850 WeakPolarHBondContact O-CA 3.4Å; L838-V850 HydrophobicContact CD2-CB 4.3Å; L838-V850 HydrophobicContact CD2-CG1 3.89Å; L838-V850 HydrophobicContact CD2-CG2 3.65Å; V850-L874 HydrophobicContact CG1-CB 4.48Å; V850-L874 HydrophobicContact CG1-CD1 3.76Å; V850-L874 HydrophobicContact CG1-CD2 3.72Å; V850-L874 HydrophobicContact CG1-CG 4.13Å; V850-Y877 HydrophobicContact CG2-CD1 3.69Å; V850-Y877 HydrophobicContact CG2-CE1 3.94Å; V850-T878 HydrophobicContact CG2-CG2 3.95Å
851	L	97	Very high	89.8	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.4	174.1	-58.4	-174.6	0	0	0	109.7	V730 L770 M775 F777 I801 F804 L836 G837 I849	V730-L851 HydrophobicContact CB-CD2 3.84Å; V730-L851 HydrophobicContact CG2-CD2 3.94Å; L770-L851 HydrophobicContact CD1-CD1 4.15Å; L770-L851 HydrophobicContact CD1-CD2 3.67Å; L770-L851 HydrophobicContact CD2-CD2 3.91Å; L770-L851 HydrophobicContact CG-CD2 4.47Å; M775-L851 HydrophobicContact CB-CD1 4Å; M775-L851 HydrophobicContact CG-CD1 4.31Å; M775-L851 HydrophobicContact SD-CD1 4.01Å; M775-L851 HydrophobicContact SD-CG 4.44Å; F777-L851 HydrophobicContact CE1-CB 4.02Å; F777-L851 HydrophobicContact CE2-CD2 4.23Å; F777-L851 HydrophobicContact CZ-CB 3.75Å; F777-L851 HydrophobicContact CZ-CD1 4.27Å; F777-L851 HydrophobicContact CZ-CD2 4.01Å; F777-L851 HydrophobicContact CZ-CG 4.22Å; I801-L851 HydrophobicContact CD1-CB 4.11Å; F804-L851 HydrophobicContact CD2-CD1 4.09Å; F804-L851 HydrophobicContact CE2-CD1 3.89Å; F804-L851 HydrophobicContact CE2-CG 4.18Å; L836-L851 WeakPolarHBondContact CA-O 3.45Å; G837-L851 PolarHBondContact N-O 3.42Å; G837-L851 PolarHBondContact O-N 3.17Å; I849-L851 HydrophobicContact CG2-CD2 4.3Å
852	Y	96.3	Very high	88.9	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	131.7	171.6	-173.5	-105.8	0	0	0	109.6	V730 F731 S732 Y795 I835 L836 D854 L870	V730-Y852 PolarHBondContact O-N 3.43Å; F731-Y852 WeakPolarHBondContact CA-O 3.26Å; F731-Y852 AromaticContact CD1-CD1 3.49Å; F731-Y852 HydrophobicContact CD1-CD1 3.49Å; F731-Y852 VanDerWaalsContact CD1-CD1 3.49Å; F731-Y852 HydrophobicContact CD1-CE1 4.28Å; F731-Y852 HydrophobicContact CD1-CG 4.33Å; F731-Y852 AromaticContact CE1-CD1 3.46Å; F731-Y852 HydrophobicContact CE1-CD1 3.46Å; F731-Y852 VanDerWaalsContact CE1-CD1 3.46Å; F731-Y852 HydrophobicContact CE1-CE1 4.09Å; F731-Y852 HydrophobicContact CE1-CG 4.16Å; F731-Y852 HydrophobicContact CZ-CD1 4.5Å; S732-Y852 PolarHBondContact N-O 3.39Å; Y795-Y852 WeakPolarHBondContact CD2-OH 3.39Å; Y795-Y852 HydrophobicContact CE2-CE1 4.29Å; Y795-Y852 HydrophobicContact CE2-CE2 4.06Å; Y795-Y852 AromaticContact CE2-CZ 3.79Å; I835-Y852 HydrophobicContact CD1-CE2 4.32Å; I835-Y852 WeakPolarHBondContact O-CA 3.46Å; I835-Y852 WeakPolarHBondContact O-CD2 3.38Å; L836-Y852 HydrophobicContact CB-CD2 4.17Å; L836-Y852 HydrophobicContact CD1-CD2 4.18Å; Y852-D854 HydrophobicContact CD1-CB 4.49Å; Y852-D854 WeakPolarHBondContact CD1-O 3.18Å; Y852-D854 HydrophobicContact CE1-CB 3.88Å; Y852-D854 WeakPolarHBondContact CE1-O 3.36Å; Y852-D854 PolarHBondContact O-N 2.99Å; Y852-L870 HydrophobicContact CD2-CD2 4.01Å; Y852-L870 HydrophobicContact CE1-CD2 4.33Å; Y852-L870 HydrophobicContact CE2-CD2 3.78Å; Y852-L870 HydrophobicContact CG-CD2 4.38Å
853	G	93.4	Very high	88.5	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-91.2	10.8	-165.2	0	0	0	0	0	117	S732 Y795 G798 C799 I835	S732-G853 CarbonylContact O-C 3.06Å; S732-G853 VanDerWaalsContact O-O 3.12Å; S732-G853 WeakPolarHBondContact OG-CA 3.35Å; Y795-G853 WeakPolarHBondContact OH-CA 3.42Å; Y795-G853 PolarHBondContact OH-N 2.79Å; Y795-G853 PolarHBondContact OH-O 3.48Å; G798-G853 CarbonylContact C-O 3.32Å; G798-G853 WeakPolarHBondContact CA-O 3.44Å; C799-G853 PolarHBondContact N-O 3.22Å; I835-G853 PolarHBondContact O-N 3.5Å
854	D	93.4	Very high	88.2	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.154	C	C	.	.			trans	-139.3	124.7	178.6	170.9	18.5	0	0	0	110.8	F731 S732 Y795 A796 Y852 N856	F731-D854 WeakPolarHBondContact CD1-O 3.07Å; S732-D854 CarbonylContact O-C 3.56Å; S732-D854 VanDerWaalsContact O-C 3.25Å; S732-D854 WeakPolarHBondContact O-CA 2.95Å; S732-D854 PolarHBondContact O-N 3.44Å; Y795-D854 VanDerWaalsContact CA-OD2 3.31Å; Y795-D854 WeakPolarHBondContact CA-OD2 3.49Å; Y795-D854 HydrophobicContact CD2-CB 3.68Å; Y795-D854 HydrophobicContact CE1-CB 4.38Å; Y795-D854 HydrophobicContact CE2-CB 3.39Å; Y795-D854 HydrophobicContact CG-CB 4.28Å; A796-D854 PolarHBondContact N-OD2 3.45Å; Y852-D854 HydrophobicContact CD1-CB 4.49Å; Y852-D854 WeakPolarHBondContact CD1-O 3.18Å; Y852-D854 HydrophobicContact CE1-CB 3.88Å; Y852-D854 WeakPolarHBondContact CE1-O 3.36Å; Y852-D854 PolarHBondContact O-N 2.99Å; D854-N856 WeakPolarHBondContact OD1-CB 3.43Å; D854-N856 PolarHBondContact OD1-N 2.84Å
855	S	92.2	Very high	88.6	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.			trans	-102.5	-17.7	178.4	94.8	0	0	0	0	114.1	S732 D733 C857 L858	S732-S855 PolarHBondContact O-N 2.82Å; S732-S855 VanDerWaalsContact O-N 3.16Å; D733-S855 VanDerWaalsContact CG-OG 3.31Å; D733-S855 PolarHBondContact OD1-N 3.46Å; D733-S855 PolarHBondContact OD1-OG 3.28Å; D733-S855 WeakPolarHBondContact OD2-CB 3.2Å; D733-S855 PolarHBondContact OD2-OG 3.04Å; S855-C857 PolarHBondContact O-N 2.93Å; S855-L858 WeakPolarHBondContact O-CB 3.02Å; S855-L858 PolarHBondContact O-N 2.89Å
856	N	90.4	Very high	89.1	Confident	4 Å²	4	22.4 Å²	22.4	2%	0.021	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.7	-176.4	172.2	92.1	0	0	0	113	D649 A796 D854 L858 D859	D649-N856 HydrophobicContact CB-CB 4.02Å; A796-N856 HydrophobicContact CB-CB 4.08Å; A796-N856 VanDerWaalsContact CB-ND2 3.3Å; A796-N856 WeakPolarHBondContact CB-ND2 3.21Å; D854-N856 WeakPolarHBondContact OD1-CB 3.43Å; D854-N856 PolarHBondContact OD1-N 2.84Å; N856-L858 PolarHBondContact O-N 3.01Å; N856-D859 PolarHBondContact O-N 2.53Å
857	C	89.9	Confident	89.3	Confident	3 Å²	3	22 Å²	22	2%	0.02	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-13.7	174	74.3	0	0	0	0	114.3	S855 R863 C867	S855-C857 PolarHBondContact O-N 2.93Å; C857-R863 WeakPolarHBondContact O-CD 3.23Å; C857-C867 HydrophobicContact CB-CB 3.52Å; C857-C867 WeakPolarHBondContact CB-SG 3.39Å; C857-C867 PolarHBondContact O-N 3.12Å; C857-C867 PolarHBondContact O-SG 2.7Å; C857-C867 VanDerWaalsContact O-SG 3.37Å; C857-C867 WeakPolarHBondContact SG-CB 3.07Å; C857-C867 CovalentContact SG-SG 2.03Å; C857-C867 PolarHBondContact SG-SG 3Å
858	L	92.4	Very high	89.3	Confident	0 Å²	0	23 Å²	23	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-25	174.1	-60.8	179.2	0	0	0	113.1	F669 M672 V704 F731 S855 N856 C867 F868 L871	F669-L858 HydrophobicContact CD1-CB 3.86Å; F669-L858 HydrophobicContact CE1-CB 3.82Å; M672-L858 HydrophobicContact CG-CD2 4.18Å; M672-L858 HydrophobicContact SD-CB 4.26Å; M672-L858 HydrophobicContact SD-CD1 4.04Å; M672-L858 HydrophobicContact SD-CD2 4.25Å; M672-L858 HydrophobicContact SD-CG 4.44Å; V704-L858 HydrophobicContact CG1-CD1 4.12Å; V704-L858 HydrophobicContact CG2-CD1 4.16Å; F731-L858 HydrophobicContact CB-CD1 4.36Å; F731-L858 HydrophobicContact CD1-CD1 3.59Å; F731-L858 HydrophobicContact CD1-CG 4.18Å; F731-L858 HydrophobicContact CD2-CD1 3.86Å; F731-L858 HydrophobicContact CE1-CD1 3.75Å; F731-L858 HydrophobicContact CE1-CD2 4.48Å; F731-L858 HydrophobicContact CE1-CG 4.11Å; F731-L858 HydrophobicContact CE2-CD1 3.98Å; F731-L858 HydrophobicContact CG-CD1 3.68Å; F731-L858 HydrophobicContact CZ-CD1 3.95Å; S855-L858 WeakPolarHBondContact O-CB 3.02Å; S855-L858 PolarHBondContact O-N 2.89Å; N856-L858 PolarHBondContact O-N 3.01Å; L858-C867 WeakPolarHBondContact CD2-SG 3.34Å; L858-F868 HydrophobicContact CD2-CD1 4.21Å; L858-F868 HydrophobicContact CD2-CE1 4.43Å; L858-L871 HydrophobicContact CD2-CB 4.34Å; L858-L871 HydrophobicContact CD2-CD2 3.97Å
859	D	89.8	Confident	89.2	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.005	10%	0.104	C	C	.	.			trans	-68.7	149	177.4	-176.3	5.2	0	0	0	111.3	N668 F669 N856 S861 R863	N668-D859 VanDerWaalsContact CB-OD1 3.25Å; N668-D859 WeakPolarHBondContact CB-OD1 3.26Å; F669-D859 HydrophobicContact CE1-CB 4.11Å; F669-D859 HydrophobicContact CZ-CB 4.47Å; N856-D859 PolarHBondContact O-N 2.53Å; D859-S861 WeakPolarHBondContact OD1-CB 3.21Å; D859-S861 PolarHBondContact OD1-N 3.23Å; D859-S861 PolarHBondContact OD1-OG 2.77Å; D859-S861 WeakPolarHBondContact OD2-CB 3.36Å; D859-S861 PolarHBondContact OD2-OG 2.93Å; D859-R863 WeakPolarHBondContact O-CB 3.28Å; D859-R863 VanDerWaalsContact O-CD 3.28Å; D859-R863 WeakPolarHBondContact O-CD 3.42Å; D859-R863 PolarHBondContact O-NH1 3.04Å
860	D	84.4	Confident	89	Confident	29 Å²	29	22.2 Å²	22.2	16%	0.155	10%	0.104	C	C	.	.	S	Bend	trans	-94.9	-15.5	174.2	-64.2	-30.5	0	0	0	112.8	N668 R670 D671 R863	N668-D860 WeakPolarHBondContact O-CB 3.39Å; N668-D860 PolarHBondContact O-N 2.81Å; R670-D860 PolarHBondContact N-OD2 3.14Å; R670-D860 VanDerWaalsContact N-OD2 3.17Å; D671-D860 WeakPolarHBondContact CB-OD1 3.4Å; D671-D860 VanDerWaalsContact CG-OD1 3.3Å; D671-D860 PolarHBondContact N-OD2 3.27Å; D860-R863 IonicContact OD1-CZ 2.74Å; D860-R863 VanDerWaalsContact OD1-CZ 3.28Å; D860-R863 IonicContact OD1-NH1 3.81Å; D860-R863 PolarHBondContact OD1-NH1 3.25Å; D860-R863 IonicContact OD1-NH2 3.44Å; D860-R863 PolarHBondContact OD1-NH2 2.89Å
861	S	77.5	Confident	88.9	Confident	14 Å²	14	22.2 Å²	22.2	10%	0.098	10%	0.104	C	C	.	.	S	Bend	trans	-69.8	-46.3	-167.9	82.7	0	0	0	0	112.8	R648 D859	R648-S861 PolarHBondContact NH1-OG 3.4Å; D859-S861 WeakPolarHBondContact OD1-CB 3.21Å; D859-S861 PolarHBondContact OD1-N 3.23Å; D859-S861 PolarHBondContact OD1-OG 2.77Å; D859-S861 WeakPolarHBondContact OD2-CB 3.36Å; D859-S861 PolarHBondContact OD2-OG 2.93Å
862	H	73.3	Confident	88.7	Confident	48 Å²	48	23.1 Å²	23.1	22%	0.222	11%	0.109	C	C	.	.	S	Bend	trans	-135.3	21.1	-177.7	-59.5	-62	0	0	0	114.2	R648 M653 Q864	R648-H862 PolarHBondContact NE-NE2 3.04Å; R648-H862 PolarHBondContact NH1-CD2 2.93Å; R648-H862 PolarHBondContact NH1-NE2 3.06Å; R648-H862 PolarHBondContact NH2-NE2 2.93Å; M653-H862 VanDerWaalsContact CE-ND1 3.27Å; M653-H862 WeakPolarHBondContact CE-ND1 3.22Å; M653-H862 HydrophobicContact CG-CB 4.29Å; H862-Q864 PolarHBondContact O-N 3.45Å
863	R	77.3	Confident	88.6	Confident	62 Å²	62	23.8 Å²	23.8	23%	0.234	11%	0.114	C	C	.	.			trans	-64.4	124.3	-178.6	179.3	176	75.8	-144.8	-2.3	112.6	D671 C857 D859 D860 K865	D671-R863 IonicContact OD2-NH2 3.14Å; D671-R863 PolarHBondContact OD2-NH2 2.85Å; D671-R863 VanDerWaalsContact OD2-NH2 3.08Å; C857-R863 WeakPolarHBondContact O-CD 3.23Å; D859-R863 WeakPolarHBondContact O-CB 3.28Å; D859-R863 VanDerWaalsContact O-CD 3.28Å; D859-R863 WeakPolarHBondContact O-CD 3.42Å; D859-R863 PolarHBondContact O-NH1 3.04Å; D860-R863 IonicContact OD1-CZ 2.74Å; D860-R863 VanDerWaalsContact OD1-CZ 3.28Å; D860-R863 IonicContact OD1-NH1 3.81Å; D860-R863 PolarHBondContact OD1-NH1 3.25Å; D860-R863 IonicContact OD1-NH2 3.44Å; D860-R863 PolarHBondContact OD1-NH2 2.89Å; R863-K865 WeakPolarHBondContact CG-O 3.26Å
864	Q	77.9	Confident	88.6	Confident	116 Å²	116	23.8 Å²	23.8	54%	0.542	11%	0.114	S	C	.	.	S	Bend	trans	-84.2	-46.3	172.1	-61.5	-175.3	12.4	0	0	111.5	H862	H862-Q864 PolarHBondContact O-N 3.45Å
865	K	86.4	Confident	88.7	Confident	61 Å²	61	23.8 Å²	23.8	27%	0.265	11%	0.114	S	C	.	.	S	Bend	trans	-139.5	138.8	-179.5	-66.9	178.9	174.7	176.5	0	109.1	E792 N794 R863	E792-K865 HydrophobicContact CB-CD 4.28Å; E792-K865 IonicContact OE2-NZ 3.18Å; E792-K865 PolarHBondContact OE2-NZ 3.41Å; N794-K865 HydrophobicContact CB-CB 4.42Å; R863-K865 WeakPolarHBondContact CG-O 3.26Å
866	D	89.9	Confident	88.7	Confident	76 Å²	76	27.6 Å²	27.6	41%	0.406	13%	0.131	S	C	.	.			trans	-84.6	149.1	178.7	68.6	91.5	0	0	0	113.8	F868	D866-F868 HydrophobicContact CB-CD1 4.45Å; D866-F868 HydrophobicContact CB-CD2 4.17Å; D866-F868 HydrophobicContact CB-CE2 4.32Å; D866-F868 HydrophobicContact CB-CG 4.25Å
867	C	92.3	Very high	88.8	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.132	C	C	.	.			trans	-112.8	24.3	175.8	66	0	0	0	0	112.5	M793 C857 L858 W869 L870 L871	M793-C867 HydrophobicContact CE-CB 3.38Å; C857-C867 HydrophobicContact CB-CB 3.52Å; C857-C867 WeakPolarHBondContact CB-SG 3.39Å; C857-C867 PolarHBondContact O-N 3.12Å; C857-C867 PolarHBondContact O-SG 2.7Å; C857-C867 VanDerWaalsContact O-SG 3.37Å; C857-C867 WeakPolarHBondContact SG-CB 3.07Å; C857-C867 CovalentContact SG-SG 2.03Å; C857-C867 PolarHBondContact SG-SG 3Å; L858-C867 WeakPolarHBondContact CD2-SG 3.34Å; C867-W869 PolarHBondContact O-N 2.82Å; C867-L870 HydrophobicContact CB-CB 4.34Å; C867-L870 WeakPolarHBondContact O-CA 3.18Å; C867-L870 WeakPolarHBondContact O-CB 3.19Å; C867-L870 PolarHBondContact O-N 3.22Å; C867-L871 PolarHBondContact O-N 3.46Å
868	F	93.5	Very high	88.9	Confident	22 Å²	22	28 Å²	28	10%	0.096	13%	0.133	C	C	.	.	H	α-helix	trans	-60.4	-33.1	-177.5	-64.9	-17.6	0	0	0	112.9	D671 M672 H675 L858 D866 L870 L871 D872	D671-F868 HydrophobicContact CB-CE2 4.12Å; D671-F868 HydrophobicContact CB-CZ 3.85Å; M672-F868 HydrophobicContact CB-CD1 4.49Å; M672-F868 HydrophobicContact CB-CE1 3.74Å; M672-F868 HydrophobicContact CB-CZ 4.23Å; M672-F868 HydrophobicContact CG-CE1 4.27Å; H675-F868 HydrophobicContact CB-CD2 3.95Å; H675-F868 HydrophobicContact CB-CE2 4.24Å; H675-F868 HydrophobicContact CB-CG 4.27Å; H675-F868 AromaticContact CG-CD2 3.89Å; H675-F868 AromaticContact CG-CG 3.98Å; L858-F868 HydrophobicContact CD2-CD1 4.21Å; L858-F868 HydrophobicContact CD2-CE1 4.43Å; D866-F868 HydrophobicContact CB-CD1 4.45Å; D866-F868 HydrophobicContact CB-CD2 4.17Å; D866-F868 HydrophobicContact CB-CE2 4.32Å; D866-F868 HydrophobicContact CB-CG 4.25Å; F868-L870 VanDerWaalsContact C-N 3.29Å; F868-L870 PolarHBondContact O-N 2.86Å; F868-L871 PolarHBondContact O-N 3.02Å; F868-D872 PolarHBondContact O-N 3.44Å
869	W	92.4	Very high	88.8	Confident	30 Å²	30	29 Å²	29	11%	0.114	14%	0.14	C	C	.	.	H	α-helix	trans	-62.8	-35.9	173.6	79.3	-92.8	0	0	0	112.4	M788 A789 H791 M793 C867 S873	M788-W869 HydrophobicContact CB-CH2 4.07Å; M788-W869 HydrophobicContact CB-CZ2 4.02Å; M788-W869 HydrophobicContact CE-CH2 3.55Å; M788-W869 HydrophobicContact CE-CZ2 3.73Å; M788-W869 HydrophobicContact CG-CH2 3.9Å; M788-W869 HydrophobicContact CG-CZ2 4.33Å; M788-W869 WeakPolarHBondContact O-CZ2 3.42Å; M788-W869 HydrophobicContact SD-CH2 4.45Å; A789-W869 HydrophobicContact CB-CH2 3.75Å; A789-W869 HydrophobicContact CB-CZ3 3.85Å; H791-W869 HydrophobicContact CB-CD2 4.04Å; H791-W869 VanDerWaalsContact CB-CE2 3.47Å; H791-W869 HydrophobicContact CB-CG 4.21Å; H791-W869 HydrophobicContact CB-CZ2 3.87Å; H791-W869 VanDerWaalsContact CB-NE1 3.31Å; H791-W869 AromaticContact CD2-CD2 3.76Å; H791-W869 AromaticContact CG-CD1 3.79Å; H791-W869 AromaticContact CG-CD2 3.8Å; H791-W869 AromaticContact CG-CE2 3.79Å; H791-W869 AromaticContact CG-CG 3.8Å; H791-W869 AromaticContact CG-NE1 3.77Å; H791-W869 AromaticContact ND1-CD1 3.91Å; H791-W869 AromaticContact ND1-CG 3.92Å; M793-W869 HydrophobicContact CG-CZ2 4.26Å; M793-W869 VanDerWaalsContact SD-CE2 3.59Å; M793-W869 HydrophobicContact SD-CH2 4.45Å; M793-W869 HydrophobicContact SD-CZ2 3.3Å; M793-W869 WeakPolarHBondContact SD-CZ2 3.37Å; M793-W869 PolarHBondContact SD-NE1 3Å; M793-W869 VanDerWaalsContact SD-NE1 3.41Å; C867-W869 PolarHBondContact O-N 2.82Å; W869-S873 WeakPolarHBondContact O-CB 3.36Å; W869-S873 PolarHBondContact O-N 3.15Å; W869-S873 VanDerWaalsContact O-N 3.09Å; W869-S873 PolarHBondContact O-OG 2.88Å
870	L	93.4	Very high	88.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-69	-50.5	177	173.8	59.2	0	0	0	108	M788 M793 L836 Y852 C867 F868 D872 S873 L874	M788-L870 HydrophobicContact CE-CD1 3.74Å; M788-L870 HydrophobicContact CE-CD2 4Å; M788-L870 HydrophobicContact CE-CG 4.37Å; M793-L870 HydrophobicContact CE-CB 4.32Å; M793-L870 HydrophobicContact CE-CD2 3.81Å; L836-L870 HydrophobicContact CD2-CD1 4.06Å; Y852-L870 HydrophobicContact CD2-CD2 4.01Å; Y852-L870 HydrophobicContact CE1-CD2 4.33Å; Y852-L870 HydrophobicContact CE2-CD2 3.78Å; Y852-L870 HydrophobicContact CG-CD2 4.38Å; C867-L870 HydrophobicContact CB-CB 4.34Å; C867-L870 WeakPolarHBondContact O-CA 3.18Å; C867-L870 WeakPolarHBondContact O-CB 3.19Å; C867-L870 PolarHBondContact O-N 3.22Å; F868-L870 VanDerWaalsContact C-N 3.29Å; F868-L870 PolarHBondContact O-N 2.86Å; L870-D872 VanDerWaalsContact C-N 3.26Å; L870-D872 PolarHBondContact O-N 3.44Å; L870-S873 CarbonylContact O-C 3.38Å; L870-S873 WeakPolarHBondContact O-CA 3.5Å; L870-S873 VanDerWaalsContact O-CB 3.28Å; L870-S873 WeakPolarHBondContact O-CB 3.29Å; L870-S873 PolarHBondContact O-N 3.42Å; L870-L874 HydrophobicContact CD1-CD1 4.16Å; L870-L874 HydrophobicContact CD1-CD2 3.91Å; L870-L874 HydrophobicContact CD1-CG 3.9Å; L870-L874 HydrophobicContact CG-CD1 3.96Å; L870-L874 HydrophobicContact CG-CG 4.13Å; L870-L874 VanDerWaalsContact O-CG 3.29Å; L870-L874 WeakPolarHBondContact O-CG 3.45Å; L870-L874 PolarHBondContact O-N 3.33Å
871	L	94.6	Very high	88.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-52.9	-43.5	176.2	-179	60.7	0	0	0	112.2	M672 L676 L702 F731 L858 C867 F868 S873 L874 L875	M672-L871 HydrophobicContact CG-CD2 3.62Å; M672-L871 HydrophobicContact SD-CD2 3.94Å; L676-L871 HydrophobicContact CD1-CD2 4.25Å; L676-L871 HydrophobicContact CD2-CD2 3.83Å; L676-L871 HydrophobicContact CD2-CG 4.2Å; L676-L871 HydrophobicContact CG-CD2 4.18Å; L702-L871 HydrophobicContact CD1-CD1 4.37Å; F731-L871 HydrophobicContact CE2-CD1 3.88Å; F731-L871 HydrophobicContact CZ-CD1 4.2Å; L858-L871 HydrophobicContact CD2-CB 4.34Å; L858-L871 HydrophobicContact CD2-CD2 3.97Å; C867-L871 PolarHBondContact O-N 3.46Å; F868-L871 PolarHBondContact O-N 3.02Å; L871-S873 VanDerWaalsContact C-N 3.33Å; L871-S873 PolarHBondContact O-N 3.27Å; L871-L874 PolarHBondContact O-N 3.46Å; L871-L875 HydrophobicContact CD1-CD1 4.29Å; L871-L875 HydrophobicContact CD1-CG 4.33Å; L871-L875 HydrophobicContact CG-CD1 4.14Å; L871-L875 WeakPolarHBondContact O-CB 3.48Å; L871-L875 WeakPolarHBondContact O-CG 3.3Å; L871-L875 PolarHBondContact O-N 3.45Å
872	D	92.9	Very high	88.9	Confident	19 Å²	19	37.7 Å²	37.7	10%	0.102	19%	0.187	C	C	.	.	H	α-helix	trans	-60.5	-42.3	174.6	-73.7	-22.7	0	0	0	112.5	H675 F868 L870 L875 Q876	H675-D872 IonicContact CD2-OD1 3.28Å; H675-D872 IonicContact CE1-OD2 2.81Å; H675-D872 PolarHBondContact CE1-OD2 3.17Å; H675-D872 IonicContact NE2-OD1 3.8Å; H675-D872 PolarHBondContact NE2-OD1 2.96Å; H675-D872 IonicContact NE2-OD2 2.65Å; H675-D872 PolarHBondContact NE2-OD2 3.24Å; F868-D872 PolarHBondContact O-N 3.44Å; L870-D872 VanDerWaalsContact C-N 3.26Å; L870-D872 PolarHBondContact O-N 3.44Å; D872-L875 PolarHBondContact O-N 3.2Å; D872-Q876 VanDerWaalsContact O-CG 3.29Å; D872-Q876 WeakPolarHBondContact O-CG 3.44Å; D872-Q876 PolarHBondContact O-N 3.19Å
873	S	92.4	Very high	89.3	Confident	15 Å²	15	37.6 Å²	37.6	11%	0.105	19%	0.189	C	C	.	.	H	α-helix	trans	-65.8	-40.6	178.7	-60.9	0	0	0	0	111.3	W869 L870 L871 Q876 Y877	W869-S873 WeakPolarHBondContact O-CB 3.36Å; W869-S873 PolarHBondContact O-N 3.15Å; W869-S873 VanDerWaalsContact O-N 3.09Å; W869-S873 PolarHBondContact O-OG 2.88Å; L870-S873 CarbonylContact O-C 3.38Å; L870-S873 WeakPolarHBondContact O-CA 3.5Å; L870-S873 VanDerWaalsContact O-CB 3.28Å; L870-S873 WeakPolarHBondContact O-CB 3.29Å; L870-S873 PolarHBondContact O-N 3.42Å; L871-S873 VanDerWaalsContact C-N 3.33Å; L871-S873 PolarHBondContact O-N 3.27Å; S873-Q876 PolarHBondContact O-N 3.33Å; S873-Y877 PolarHBondContact O-N 2.92Å
874	L	94.7	Very high	89.2	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-67.5	-43.2	176.2	-60.1	-179.2	0	0	0	111.1	I729 F731 L836 L838 V850 L870 L871 Q876 Y877 T878 L887	I729-L874 HydrophobicContact CD1-CB 4.04Å; I729-L874 HydrophobicContact CG2-CD1 4.38Å; F731-L874 HydrophobicContact CE2-CD1 4.12Å; F731-L874 HydrophobicContact CZ-CD1 3.83Å; L836-L874 HydrophobicContact CD1-CD1 4.49Å; L836-L874 HydrophobicContact CD1-CD2 3.94Å; L836-L874 HydrophobicContact CD2-CD2 4.39Å; L838-L874 HydrophobicContact CD2-CD2 3.79Å; V850-L874 HydrophobicContact CG1-CB 4.48Å; V850-L874 HydrophobicContact CG1-CD1 3.76Å; V850-L874 HydrophobicContact CG1-CD2 3.72Å; V850-L874 HydrophobicContact CG1-CG 4.13Å; L870-L874 HydrophobicContact CD1-CD1 4.16Å; L870-L874 HydrophobicContact CD1-CD2 3.91Å; L870-L874 HydrophobicContact CD1-CG 3.9Å; L870-L874 HydrophobicContact CG-CD1 3.96Å; L870-L874 HydrophobicContact CG-CG 4.13Å; L870-L874 VanDerWaalsContact O-CG 3.29Å; L870-L874 WeakPolarHBondContact O-CG 3.45Å; L870-L874 PolarHBondContact O-N 3.33Å; L871-L874 PolarHBondContact O-N 3.46Å; L874-Q876 VanDerWaalsContact C-N 3.3Å; L874-Q876 PolarHBondContact O-N 3.5Å; L874-Y877 WeakPolarHBondContact O-CB 3.46Å; L874-Y877 PolarHBondContact O-N 3.45Å; L874-T878 WeakPolarHBondContact O-CG2 3.33Å; L874-T878 PolarHBondContact O-N 3.21Å; L874-T878 PolarHBondContact O-OG1 3.4Å; L874-L887 HydrophobicContact CD2-CD1 4.46Å
875	L	94.5	Very high	89.1	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.5	-33.5	175.2	-75.6	171.3	0	0	0	112.5	V631 L676 Y681 T700 I729 L871 D872 T878 S879	V631-L875 HydrophobicContact CG2-CD2 3.86Å; L676-L875 HydrophobicContact CD2-CD1 3.33Å; Y681-L875 HydrophobicContact CD2-CD1 4.35Å; Y681-L875 HydrophobicContact CE1-CB 4.27Å; Y681-L875 HydrophobicContact CE1-CD1 4.38Å; Y681-L875 HydrophobicContact CE2-CD1 4.14Å; T700-L875 HydrophobicContact CG2-CD2 4.16Å; I729-L875 HydrophobicContact CD1-CD2 3.78Å; I729-L875 HydrophobicContact CD1-CG 4.12Å; L871-L875 HydrophobicContact CD1-CD1 4.29Å; L871-L875 HydrophobicContact CD1-CG 4.33Å; L871-L875 HydrophobicContact CG-CD1 4.14Å; L871-L875 WeakPolarHBondContact O-CB 3.48Å; L871-L875 WeakPolarHBondContact O-CG 3.3Å; L871-L875 PolarHBondContact O-N 3.45Å; D872-L875 PolarHBondContact O-N 3.2Å; L875-T878 WeakPolarHBondContact CA-OG1 3.42Å; L875-T878 PolarHBondContact O-OG1 3.35Å; L875-S879 WeakPolarHBondContact O-CB 3.47Å; L875-S879 PolarHBondContact O-N 3Å; L875-S879 PolarHBondContact O-OG 2.56Å
876	Q	92	Very high	88.5	Confident	79 Å²	79	32.9 Å²	32.9	37%	0.369	18%	0.184	S	C	.	.	H	α-helix	trans	-66.1	-42.8	172.5	-76.1	174.7	36.4	0	0	111.8	D872 S873 L874 Y880	D872-Q876 VanDerWaalsContact O-CG 3.29Å; D872-Q876 WeakPolarHBondContact O-CG 3.44Å; D872-Q876 PolarHBondContact O-N 3.19Å; S873-Q876 PolarHBondContact O-N 3.33Å; L874-Q876 VanDerWaalsContact C-N 3.3Å; L874-Q876 PolarHBondContact O-N 3.5Å; Q876-Y880 PolarHBondContact O-N 2.86Å
877	Y	93.1	Very high	87.9	Confident	10 Å²	10	29.3 Å²	29.3	4%	0.039	17%	0.165	C	C	.	.	H	α-helix	trans	-60.4	-53.7	174.8	173.5	-107.9	0	0	0	111	L838 Y839 R848 V850 S873 L874 S879 G881 V882	L838-Y877 HydrophobicContact CB-CE1 3.92Å; L838-Y877 HydrophobicContact CD2-CD1 3.98Å; L838-Y877 HydrophobicContact CD2-CE1 4.12Å; Y839-Y877 PolarHBondContact O-OH 3.1Å; R848-Y877 HydrophobicContact CB-CD1 4.21Å; R848-Y877 HydrophobicContact CB-CE1 3.66Å; R848-Y877 WeakPolarHBondContact CD-O 3.21Å; R848-Y877 HydrophobicContact CG-CE1 3.97Å; R848-Y877 PolarHBondContact NE-O 3.31Å; R848-Y877 PolarHBondContact NH1-O 3.38Å; V850-Y877 HydrophobicContact CG2-CD1 3.69Å; V850-Y877 HydrophobicContact CG2-CE1 3.94Å; S873-Y877 PolarHBondContact O-N 2.92Å; L874-Y877 WeakPolarHBondContact O-CB 3.46Å; L874-Y877 PolarHBondContact O-N 3.45Å; Y877-S879 PolarHBondContact O-N 3.34Å; Y877-G881 WeakPolarHBondContact O-CA 3.43Å; Y877-G881 PolarHBondContact O-N 2.97Å; Y877-V882 WeakPolarHBondContact CA-O 3.34Å
878	T	93	Very high	86.8	Confident	5 Å²	5	31.3 Å²	31.3	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-63.3	-41	-179.6	60.2	0	0	0	0	112.6	T700 S727 I729 R848 V850 L874 L875	T700-T878 HydrophobicContact CG2-CG2 4.44Å; T700-T878 WeakPolarHBondContact OG1-CB 3Å; T700-T878 PolarHBondContact OG1-OG1 3.18Å; S727-T878 VanDerWaalsContact CB-CB 3.48Å; S727-T878 PolarHBondContact OG-O 2.85Å; I729-T878 HydrophobicContact CD1-CG2 3.83Å; I729-T878 HydrophobicContact CG1-CG2 3.6Å; R848-T878 HydrophobicContact CB-CG2 4.38Å; R848-T878 PolarHBondContact NH1-O 3.4Å; V850-T878 HydrophobicContact CG2-CG2 3.95Å; L874-T878 WeakPolarHBondContact O-CG2 3.33Å; L874-T878 PolarHBondContact O-N 3.21Å; L874-T878 PolarHBondContact O-OG1 3.4Å; L875-T878 WeakPolarHBondContact CA-OG1 3.42Å; L875-T878 PolarHBondContact O-OG1 3.35Å
879	S	89.1	Confident	85.4	Confident	21 Å²	21	37.7 Å²	37.7	15%	0.147	21%	0.209	C	C	.	.	H	α-helix	trans	-82.7	-34.1	-172.1	-58	0	0	0	0	114.5	S628 L875 Y877	S628-S879 WeakPolarHBondContact O-CB 2.98Å; S628-S879 PolarHBondContact O-OG 2.99Å; S628-S879 VanDerWaalsContact O-OG 3.08Å; L875-S879 WeakPolarHBondContact O-CB 3.47Å; L875-S879 PolarHBondContact O-N 3Å; L875-S879 PolarHBondContact O-OG 2.56Å; Y877-S879 PolarHBondContact O-N 3.34Å
880	Y	86.9	Confident	84.3	Confident	118 Å²	118	37.4 Å²	37.4	46%	0.463	21%	0.212	S	C	.	.	H	α-helix	trans	-122.8	-16.2	-172.1	-57.8	-77	0	0	0	114.5	K629 Q876 V882	K629-Y880 WeakPolarHBondContact CE-OH 3.25Å; Q876-Y880 PolarHBondContact O-N 2.86Å; Y880-V882 PolarHBondContact O-N 3.17Å
881	G	83.9	Confident	83.1	Confident	28 Å²	28	46.5 Å²	46.5	29%	0.289	25%	0.254	S	S	.	.			trans	79.2	15.2	178.6	0	0	0	0	0	114.9	R848 Y877	R848-G881 VanDerWaalsContact CZ-N 3.32Å; Y877-G881 WeakPolarHBondContact O-CA 3.43Å; Y877-G881 PolarHBondContact O-N 2.97Å
882	V	83.1	Confident	82.3	Confident	82 Å²	82	49.4 Å²	49.4	50%	0.497	27%	0.27	S	S	.	.			trans	-90.2	108.6	172.6	-176.7	0	0	0	0	106.1	Y877 Y880 P884	Y877-V882 WeakPolarHBondContact CA-O 3.34Å; Y880-V882 PolarHBondContact O-N 3.17Å; V882-P884 VanDerWaalsContact O-CD 3.26Å; V882-P884 WeakPolarHBondContact O-CD 3.37Å
883	T	81.2	Confident	81.9	Confident	45 Å²	45	54.8 Å²	54.8	28%	0.276	29%	0.288	S	S	.	.			trans	-66.3	119.1	164.6	-48.1	0	0	0	0	107.4	I809 L838	I809-T883 HydrophobicContact CD1-CG2 4.06Å; L838-T883 HydrophobicContact CD1-CG2 4.26Å
884	P	76.5	Confident	81.6	Confident	5 Å²	5	56.8 Å²	56.8	3%	0.032	30%	0.296	C	S	.	.			trans	-56.7	133.1	-179.5	-25.6	34.9	0	0	0	110.5	V882 S886 L887 S888	V882-P884 VanDerWaalsContact O-CD 3.26Å; V882-P884 WeakPolarHBondContact O-CD 3.37Å; P884-S886 WeakPolarHBondContact CB-OG 3.25Å; P884-S886 PolarHBondContact O-N 3.12Å; P884-S886 VanDerWaalsContact O-N 3.1Å; P884-L887 HydrophobicContact CB-CD1 4.33Å; P884-L887 HydrophobicContact CB-CG 4.27Å; P884-L887 HydrophobicContact CG-CD1 3.99Å; P884-L887 HydrophobicContact CG-CG 4.47Å; P884-L887 PolarHBondContact O-N 3.24Å; P884-S888 PolarHBondContact O-N 3.22Å
885	P	74.8	Confident	81.1	Confident	86 Å²	86	68 Å²	68	56%	0.558	34%	0.338	S	S	*	.	H	α-helix	trans	-54.8	-32.2	178.7	-28.2	35.1	0	0	0	113.1	L887 S888 H889	P885-L887 VanDerWaalsContact C-N 3.29Å; P885-L887 PolarHBondContact O-N 3.42Å; P885-S888 VanDerWaalsContact CA-OG 3.28Å; P885-S888 WeakPolarHBondContact CA-OG 3.4Å; P885-S888 PolarHBondContact O-N 3.14Å; P885-S888 PolarHBondContact O-OG 2.97Å; P885-H889 WeakPolarHBondContact O-CB 3.35Å; P885-H889 PolarHBondContact O-CD2 2.81Å; P885-H889 PolarHBondContact O-N 3.39Å
886	S	73.6	Confident	80.8	Confident	50 Å²	50	69.2 Å²	69.2	35%	0.35	35%	0.347	S	S	.	.	H	α-helix	trans	-60	-34.4	174.5	42.9	0	0	0	0	113.9	A789 P884	A789-S886 VanDerWaalsContact CB-CB 3.48Å; P884-S886 WeakPolarHBondContact CB-OG 3.25Å; P884-S886 PolarHBondContact O-N 3.12Å; P884-S886 VanDerWaalsContact O-N 3.1Å
887	L	78.2	Confident	80.7	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-90.7	-32.6	177.9	-61.8	178.4	0	0	0	111.4	M788 I811 L836 L838 L874 P884 P885	M788-L887 HydrophobicContact CE-CD2 4.33Å; M788-L887 HydrophobicContact CG-CD2 4.36Å; M788-L887 HydrophobicContact SD-CD2 3.9Å; I811-L887 HydrophobicContact CD1-CB 4.2Å; I811-L887 HydrophobicContact CD1-CD2 3.82Å; L836-L887 HydrophobicContact CD2-CD1 4.41Å; L836-L887 HydrophobicContact CD2-CD2 4.16Å; L838-L887 HydrophobicContact CD1-CD1 4.27Å; L874-L887 HydrophobicContact CD2-CD1 4.46Å; P884-L887 HydrophobicContact CB-CD1 4.33Å; P884-L887 HydrophobicContact CB-CG 4.27Å; P884-L887 HydrophobicContact CG-CD1 3.99Å; P884-L887 HydrophobicContact CG-CG 4.47Å; P884-L887 PolarHBondContact O-N 3.24Å; P885-L887 VanDerWaalsContact C-N 3.29Å; P885-L887 PolarHBondContact O-N 3.42Å
888	S	68.9	Low	80.3	Confident	42 Å²	42	70.1 Å²	70.1	29%	0.294	36%	0.363	S	S	.	.	H	α-helix	trans	-72	-30.3	179.8	68.3	0	0	0	0	113.8	P884 P885	P884-S888 PolarHBondContact O-N 3.22Å; P885-S888 VanDerWaalsContact CA-OG 3.28Å; P885-S888 WeakPolarHBondContact CA-OG 3.4Å; P885-S888 PolarHBondContact O-N 3.14Å; P885-S888 PolarHBondContact O-OG 2.97Å
889	H	64.6	Low	79.5	Confident	155 Å²	155	70.7 Å²	70.7	72%	0.718	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	13.6	179.8	-62.7	-62.5	0	0	0	113.6	P885 E891	P885-H889 WeakPolarHBondContact O-CB 3.35Å; P885-H889 PolarHBondContact O-CD2 2.81Å; P885-H889 PolarHBondContact O-N 3.39Å; H889-E891 PolarHBondContact O-N 2.96Å
890	S	69.4	Low	78.7	Confident	24 Å²	24	73.6 Å²	73.6	17%	0.168	40%	0.395	C	S	.	.			trans	-62.6	127.8	177.4	-174.9	0	0	0	0	110.6	N892 R893	S890-N892 PolarHBondContact O-N 3.45Å; S890-R893 PolarHBondContact O-N 2.84Å
891	E	67.4	Low	77.9	Confident	192 Å²	192	72 Å²	72	90%	0.897	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.2	177.8	-64.9	-173.4	165.6	0	0	112.3	H889 R893	H889-E891 PolarHBondContact O-N 2.96Å; E891-R893 PolarHBondContact O-N 3.31Å
892	N	79.1	Confident	77.5	Confident	61 Å²	61	74.5 Å²	74.5	33%	0.326	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	21.3	-175.5	-54.9	-22.3	0	0	0	113.8	I811 A812 Q813 S890	I811-N892 HydrophobicContact CG2-CB 4.45Å; A812-N892 PolarHBondContact N-O 2.9Å; A812-N892 WeakPolarHBondContact O-CB 3.46Å; Q813-N892 VanDerWaalsContact CD-ND2 3.32Å; Q813-N892 PolarHBondContact NE2-ND2 3.01Å; Q813-N892 VanDerWaalsContact NE2-ND2 3.14Å; Q813-N892 PolarHBondContact OE1-ND2 3.14Å; S890-N892 PolarHBondContact O-N 3.45Å
893	R	83.8	Confident	77.5	Confident	131 Å²	131	73.8 Å²	73.8	49%	0.494	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	132.9	175.2	-175.2	177.5	176.2	-178.9	-0.7	110.3	I809 V810 S890 E891	I809-R893 HydrophobicContact CG2-CG 4.45Å; V810-R893 WeakPolarHBondContact O-CA 3.39Å; S890-R893 PolarHBondContact O-N 2.84Å; E891-R893 PolarHBondContact O-N 3.31Å
894	Q	84.8	Confident	77.9	Confident	58 Å²	58	75.1 Å²	75.1	27%	0.271	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	165.9	-179.6	-65.7	-167.5	4.4	0	0	112.7	V810 A812 N832	V810-Q894 PolarHBondContact O-N 2.83Å; A812-Q894 HydrophobicContact CB-CB 4.47Å; A812-Q894 HydrophobicContact CB-CG 3.85Å; N832-Q894 PolarHBondContact OD1-NE2 3.41Å
895	R	85.7	Confident	78.6	Confident	234 Å²	234	75.5 Å²	75.5	88%	0.883	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-66	134.8	169.3	-70.8	-174.4	-178.3	178.2	0.6	108.6
896	P	88.5	Confident	79.3	Confident	27 Å²	27	78.8 Å²	78.8	18%	0.175	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-53.7	136.1	176.1	-30.2	39	0	0	0	112	F804 P805 G808 V810	F804-P896 HydrophobicContact CB-CB 4.16Å; F804-P896 HydrophobicContact CD1-CB 4.38Å; P805-P896 WeakPolarHBondContact O-CB 3.44Å; P805-P896 WeakPolarHBondContact O-CG 3.06Å; G808-P896 WeakPolarHBondContact O-CG 3.47Å; V810-P896 HydrophobicContact CG2-CB 4.11Å; V810-P896 HydrophobicContact CG2-CG 4.15Å
897	P	89.3	Confident	80	Confident	15 Å²	15	81.4 Å²	81.4	10%	0.097	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-72.4	132.8	-179.6	30	-34.6	0	0	0	110.3	I801 A802 K803 F804 P834 G899 Y902	I801-P897 HydrophobicContact CG2-CG 4.35Å; I801-P897 WeakPolarHBondContact O-CG 3.36Å; A802-P897 WeakPolarHBondContact O-CB 3.09Å; K803-P897 WeakPolarHBondContact CA-O 3.44Å; F804-P897 HydrophobicContact CB-CG 4.39Å; F804-P897 PolarHBondContact N-O 3.41Å; P834-P897 HydrophobicContact CG-CG 4.46Å; P897-G899 VanDerWaalsContact C-N 3.28Å; P897-G899 PolarHBondContact O-N 2.86Å; P897-Y902 HydrophobicContact CB-CD2 4.37Å; P897-Y902 HydrophobicContact CB-CE2 3.88Å
898	S	83.8	Confident	80.4	Confident	93 Å²	93	81.6 Å²	81.6	65%	0.65	43%	0.433	S	S	*	.	B	Isolated β-bridge	trans	-84.1	-0.1	179.7	59.5	0	0	0	0	113.7	A900	S898-A900 VanDerWaalsContact C-N 3.34Å
899	G	77.8	Confident	81.1	Confident	16 Å²	16	87.4 Å²	87.4	17%	0.165	46%	0.455	C	S	.	.	S	Bend	trans	87.6	-8.3	-171.4	0	0	0	0	0	114.9	A802 P897 G901	A802-G899 VanDerWaalsContact O-CA 3.26Å; A802-G899 WeakPolarHBondContact O-CA 3.48Å; A802-G899 PolarHBondContact O-N 2.92Å; P897-G899 VanDerWaalsContact C-N 3.28Å; P897-G899 PolarHBondContact O-N 2.86Å; G899-G901 PolarHBondContact O-N 3.21Å
900	A	71.9	Confident	81.6	Confident	82 Å²	82	82.6 Å²	82.6	68%	0.678	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	117.9	175.3	0	0	0	0	0	110.6	S898	S898-A900 VanDerWaalsContact C-N 3.34Å
901	G	68.9	Low	82.1	Confident	85 Å²	85	83.1 Å²	83.1	88%	0.876	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	96	-1.4	178.8	0	0	0	0	0	115.7	G899	G899-G901 PolarHBondContact O-N 3.21Å
902	Y	76.8	Confident	82.9	Confident	80 Å²	80	77.4 Å²	77.4	31%	0.314	42%	0.422	S	S	.	.			trans	-110.7	133.5	173.5	-65.5	-84.5	0	0	0	110.5	A802 P897	A802-Y902 HydrophobicContact CB-CG 4.23Å; P897-Y902 HydrophobicContact CB-CD2 4.37Å; P897-Y902 HydrophobicContact CB-CE2 3.88Å
903	S	82.3	Confident	83.2	Confident	67 Å²	67	74.6 Å²	74.6	47%	0.469	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-77.9	135.1	167.3	26.3	0	0	0	0	110	D779	D779-S903 VanDerWaalsContact CG-OG 3.22Å; D779-S903 PolarHBondContact N-O 3.29Å; D779-S903 WeakPolarHBondContact OD1-CB 3.33Å; D779-S903 PolarHBondContact OD1-OG 3.08Å; D779-S903 PolarHBondContact OD2-OG 3.45Å
904	L	89.6	Confident	83.3	Confident	73 Å²	73	70 Å²	70	38%	0.382	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-86.2	140.3	169.4	-65.5	178.1	0	0	0	108.6	A776 A802	A776-L904 HydrophobicContact CB-CD2 3.64Å; A802-L904 HydrophobicContact CB-CD2 3.76Å
905	P	90.6	Very high	83.1	Confident	13 Å²	13	74.3 Å²	74.3	8%	0.084	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-68.6	134.1	177.7	26.2	-30.8	0	0	0	110.6	Y735 I763 P764 F777 D779	Y735-P905 HydrophobicContact CD1-CB 3.67Å; Y735-P905 HydrophobicContact CE1-CB 4.19Å; I763-P905 HydrophobicContact CB-CG 4.03Å; I763-P905 HydrophobicContact CG2-CG 3.51Å; P764-P905 HydrophobicContact CG-CB 4.22Å; P764-P905 HydrophobicContact CG-CG 4.48Å; F777-P905 WeakPolarHBondContact O-CD 3.39Å; D779-P905 HydrophobicContact CB-CB 4.02Å
906	E	90.1	Very high	82.9	Confident	156 Å²	156	66.2 Å²	66.2	73%	0.729	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-101.9	150	175	-66.6	-179.4	172	0	0	110.9	Y735 T737 M908	Y735-E906 VanDerWaalsContact CE1-O 3.25Å; Y735-E906 WeakPolarHBondContact CE1-O 3.29Å; Y735-E906 PolarHBondContact OH-O 2.85Å; T737-E906 WeakPolarHBondContact CG2-O 3.36Å; E906-M908 PolarHBondContact O-N 2.71Å
907	R	89.6	Confident	82.8	Confident	104 Å²	104	65 Å²	65	39%	0.392	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-59.7	136.1	174.2	-70.4	-178.3	174.7	84.6	-2.5	109.9	E709 Y735 P764 D768 E909	E709-R907 IonicContact OE1-CZ 2.61Å; E709-R907 IonicContact OE1-NE 3.39Å; E709-R907 PolarHBondContact OE1-NE 3.38Å; E709-R907 IonicContact OE1-NH2 3.96Å; E709-R907 PolarHBondContact OE1-NH2 3.34Å; E709-R907 IonicContact OE2-CZ 3.67Å; E709-R907 IonicContact OE2-NE 2.9Å; E709-R907 IonicContact OE2-NH2 3.82Å; E709-R907 PolarHBondContact OE2-NH2 3.14Å; Y735-R907 WeakPolarHBondContact OH-CA 3.35Å; P764-R907 HydrophobicContact CB-CG 3.8Å; P764-R907 HydrophobicContact CG-CG 4.32Å; D768-R907 IonicContact OD2-CZ 3.85Å; D768-R907 VanDerWaalsContact OD2-CZ 3.25Å; D768-R907 IonicContact OD2-NH1 2.87Å; D768-R907 PolarHBondContact OD2-NH1 3.32Å; D768-R907 IonicContact OD2-NH2 2.82Å; D768-R907 PolarHBondContact OD2-NH2 3.45Å; R907-E909 PolarHBondContact O-N 3.27Å
908	M	86.7	Confident	82.7	Confident	6 Å²	6	66.8 Å²	66.8	3%	0.03	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-69.6	121.5	-176.6	178.3	166.7	169.4	0	0	110.9	Y735 T737 M740 R741 M755 E906 G910 N911	Y735-M908 PolarHBondContact OH-N 3.21Å; Y735-M908 VanDerWaalsContact OH-N 3.09Å; T737-M908 HydrophobicContact CG2-CB 4.37Å; M740-M908 HydrophobicContact CB-SD 4.22Å; M740-M908 HydrophobicContact CE-CB 4.33Å; M740-M908 HydrophobicContact CE-SD 3.94Å; R741-M908 HydrophobicContact CG-CE 3.75Å; R741-M908 HydrophobicContact CG-SD 4.47Å; M755-M908 HydrophobicContact CB-CE 4.16Å; M755-M908 HydrophobicContact CE-CE 4.26Å; M755-M908 HydrophobicContact CG-CE 4.49Å; M755-M908 HydrophobicContact SD-CE 3.79Å; E906-M908 PolarHBondContact O-N 2.71Å; M908-G910 PolarHBondContact O-N 3.2Å; M908-N911 HydrophobicContact CB-CB 4.4Å; M908-N911 WeakPolarHBondContact O-CB 3.44Å; M908-N911 VanDerWaalsContact O-CG 3.28Å; M908-N911 PolarHBondContact O-N 3.48Å
909	E	82.6	Confident	83	Confident	164 Å²	164	62.5 Å²	62.5	77%	0.766	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	130.2	173.9	-67.6	-178.2	166.6	0	0	111.6	R907	R907-E909 PolarHBondContact O-N 3.27Å
910	G	74.9	Confident	83.5	Confident	54 Å²	54	62.8 Å²	62.8	56%	0.557	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	17.2	180	0	0	0	0	0	114.9	M908	M908-G910 PolarHBondContact O-N 3.2Å
911	N	80.3	Confident	84.2	Confident	34 Å²	34	64.2 Å²	64.2	18%	0.182	33%	0.333	C	S	.	.			trans	-70	155.8	171.4	72.7	-3.7	0	0	0	112.1	M908	M908-N911 HydrophobicContact CB-CB 4.4Å; M908-N911 WeakPolarHBondContact O-CB 3.44Å; M908-N911 VanDerWaalsContact O-CG 3.28Å; M908-N911 PolarHBondContact O-N 3.48Å
912	H	83.1	Confident	84.8	Confident	72 Å²	72	63.3 Å²	63.3	33%	0.333	32%	0.317	S	S	.	.			trans	-114.9	21.4	-177.9	-55.2	103.8	0	0	0	112.6	D757 H914 R915	D757-H912 WeakPolarHBondContact OD1-CA 3.34Å; D757-H912 WeakPolarHBondContact OD1-CB 3.5Å; D757-H912 PolarHBondContact OD1-N 3.42Å; H912-H914 PolarHBondContact O-N 3.01Å; H912-R915 HydrophobicContact CB-CG 4.32Å; H912-R915 WeakPolarHBondContact O-CB 3.22Å; H912-R915 WeakPolarHBondContact O-CG 3.43Å; H912-R915 PolarHBondContact O-N 2.86Å
913	L	85.9	Confident	84.8	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.01	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-51.4	-35.1	-178.4	-172.5	64	0	0	0	112.6	L639 F646 E709 D757 R915 Y916 S917	L639-L913 HydrophobicContact CD1-CD1 3.62Å; F646-L913 HydrophobicContact CE1-CD1 4.02Å; F646-L913 HydrophobicContact CZ-CD1 4.42Å; E709-L913 HydrophobicContact CG-CD2 4.24Å; D757-L913 HydrophobicContact CB-CD1 4.38Å; L913-R915 PolarHBondContact O-N 3.31Å; L913-Y916 PolarHBondContact O-N 3.29Å; L913-S917 VanDerWaalsContact O-CB 3.28Å; L913-S917 WeakPolarHBondContact O-CB 3.46Å; L913-S917 PolarHBondContact O-N 3.49Å
914	H	85.7	Confident	84	Confident	35 Å²	35	69.7 Å²	69.7	16%	0.162	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-57.3	-20.9	177.1	68.3	-92.8	0	0	0	115.3	H912 Y916 L920 P927	H912-H914 PolarHBondContact O-N 3.01Å; H914-Y916 VanDerWaalsContact C-N 3.27Å; H914-L920 HydrophobicContact CB-CB 3.85Å; H914-L920 HydrophobicContact CB-CD1 4.49Å; H914-P927 HydrophobicContact CB-CB 3.99Å; H914-P927 HydrophobicContact CB-CG 4.17Å
915	R	81.6	Confident	83.1	Confident	148 Å²	148	69.4 Å²	69.4	56%	0.558	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-71.4	-25.7	175.9	-65	-175.5	-179.8	166.8	1.7	112.4	H912 L913	H912-R915 HydrophobicContact CB-CG 4.32Å; H912-R915 WeakPolarHBondContact O-CB 3.22Å; H912-R915 WeakPolarHBondContact O-CG 3.43Å; H912-R915 PolarHBondContact O-N 2.86Å; L913-R915 PolarHBondContact O-N 3.31Å
916	Y	81.2	Confident	82.2	Confident	65 Å²	65	75.4 Å²	75.4	26%	0.255	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	-22.1	-169.2	-41.7	-46.1	0	0	0	112.2	P643 F646 D757 L913 H914	P643-Y916 HydrophobicContact CB-CD1 3.36Å; P643-Y916 HydrophobicContact CB-CE1 3.91Å; P643-Y916 HydrophobicContact CB-CG 3.72Å; P643-Y916 HydrophobicContact CG-CD1 4.23Å; P643-Y916 HydrophobicContact CG-CG 4.09Å; P643-Y916 WeakPolarHBondContact O-CE1 3.38Å; P643-Y916 VanDerWaalsContact O-CE2 3.28Å; P643-Y916 WeakPolarHBondContact O-CE2 3.45Å; P643-Y916 PolarHBondContact O-OH 3.09Å; F646-Y916 HydrophobicContact CZ-CD2 4.45Å; D757-Y916 WeakPolarHBondContact OD2-CE2 3.2Å; L913-Y916 PolarHBondContact O-N 3.29Å; H914-Y916 VanDerWaalsContact C-N 3.27Å
917	S	86.9	Confident	81.7	Confident	2 Å²	2	70.2 Å²	70.2	1%	0.014	37%	0.373	C	S	.	.			trans	-62.9	135	176.6	178.5	0	0	0	0	111.9	E708 L913 V919 L920 R930	E708-S917 VanDerWaalsContact OE1-CB 3.24Å; E708-S917 WeakPolarHBondContact OE1-CB 3.3Å; E708-S917 PolarHBondContact OE1-OG 2.71Å; E708-S917 VanDerWaalsContact OE2-CA 3.28Å; E708-S917 WeakPolarHBondContact OE2-CA 3.37Å; L913-S917 VanDerWaalsContact O-CB 3.28Å; L913-S917 WeakPolarHBondContact O-CB 3.46Å; L913-S917 PolarHBondContact O-N 3.49Å; S917-V919 PolarHBondContact OG-N 3.02Å; S917-L920 PolarHBondContact OG-N 3.43Å; S917-R930 PolarHBondContact O-NH2 3.06Å
918	K	87.3	Confident	81.4	Confident	52 Å²	52	70.6 Å²	70.6	23%	0.226	38%	0.378	C	S	.	.	S	Bend	trans	-74.2	-17.2	169.2	-55.9	164.6	-151.6	167	0	111	Y636 N638 E708	Y636-K918 HydrophobicContact CD2-CD 4.45Å; Y636-K918 HydrophobicContact CE2-CD 4.04Å; Y636-K918 PolarHBondContact O-NZ 3.02Å; N638-K918 PolarHBondContact O-NZ 3.19Å; E708-K918 WeakPolarHBondContact OE2-CB 3.46Å; E708-K918 PolarHBondContact OE2-N 3.25Å
919	V	89.6	Confident	81.3	Confident	2 Å²	2	73.9 Å²	73.9	1%	0.012	40%	0.399	C	S	.	.	S	Bend	trans	-107.2	-33.8	-173.3	-179.5	0	0	0	0	112.3	E708 E709 F711 S917 P929 R930	E708-V919 HydrophobicContact CG-CG2 4.07Å; E709-V919 HydrophobicContact CB-CB 4.02Å; E709-V919 HydrophobicContact CB-CG1 3.99Å; E709-V919 VanDerWaalsContact O-CG2 3.25Å; E709-V919 WeakPolarHBondContact O-CG2 3.2Å; F711-V919 HydrophobicContact CD1-CG1 3.83Å; F711-V919 HydrophobicContact CD2-CG1 4.42Å; F711-V919 HydrophobicContact CD2-CG2 4.05Å; F711-V919 HydrophobicContact CE1-CB 4.25Å; F711-V919 HydrophobicContact CE1-CG1 3.78Å; F711-V919 HydrophobicContact CE1-CG2 4.36Å; F711-V919 HydrophobicContact CE2-CB 4.38Å; F711-V919 HydrophobicContact CE2-CG1 4.4Å; F711-V919 HydrophobicContact CE2-CG2 3.62Å; F711-V919 HydrophobicContact CG-CG1 4.15Å; F711-V919 HydrophobicContact CZ-CB 4.08Å; F711-V919 HydrophobicContact CZ-CG1 4.08Å; F711-V919 HydrophobicContact CZ-CG2 3.79Å; S917-V919 PolarHBondContact OG-N 3.02Å; V919-P929 CarbonylContact O-C 3.59Å; V919-P929 VanDerWaalsContact O-CA 3.3Å; V919-P929 WeakPolarHBondContact O-CA 3.12Å; V919-R930 WeakPolarHBondContact O-CB 3.48Å; V919-R930 PolarHBondContact O-N 3.26Å
920	L	88.6	Confident	81.7	Confident	22 Å²	22	71 Å²	71	12%	0.115	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	145.5	-176.5	-62.2	179.5	0	0	0	113.5	E709 H914 S917 P927 K928 R930	E709-L920 HydrophobicContact CB-CG 4.36Å; E709-L920 HydrophobicContact CG-CD1 3.79Å; E709-L920 HydrophobicContact CG-CD2 4.33Å; E709-L920 HydrophobicContact CG-CG 3.93Å; H914-L920 HydrophobicContact CB-CB 3.85Å; H914-L920 HydrophobicContact CB-CD1 4.49Å; S917-L920 PolarHBondContact OG-N 3.43Å; L920-P927 HydrophobicContact CB-CB 4.26Å; L920-P927 HydrophobicContact CD1-CB 4.13Å; L920-P927 HydrophobicContact CD2-CB 4.28Å; L920-P927 HydrophobicContact CG-CB 4.48Å; L920-K928 CarbonylContact C-O 3.52Å; L920-K928 WeakPolarHBondContact CA-O 3.3Å; L920-R930 PolarHBondContact O-NE 2.95Å; L920-R930 PolarHBondContact O-NH2 2.88Å
921	E	86.2	Confident	82.4	Confident	113 Å²	113	73.6 Å²	73.6	53%	0.528	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	150	171.5	-169	173.4	-168.5	0	0	111.1	H923 P927 K928 R930	E921-H923 PolarHBondContact O-N 2.74Å; E921-P927 WeakPolarHBondContact O-CA 3.08Å; E921-K928 PolarHBondContact N-O 3.32Å; E921-K928 PolarHBondContact O-N 2.7Å; E921-R930 HydrophobicContact CB-CG 3.82Å
922	A	81.5	Confident	82.8	Confident	66 Å²	66	74.9 Å²	74.9	55%	0.545	40%	0.397	S	S	.	.			trans	-66.1	129.6	174.4	0	0	0	0	0	111.1
923	H	77.1	Confident	83.1	Confident	102 Å²	102	73.8 Å²	73.8	47%	0.472	40%	0.397	S	S	.	.			trans	-138.7	157.8	174	-160.4	51.4	0	0	0	111	E921 G925 K928	E921-H923 PolarHBondContact O-N 2.74Å; H923-G925 PolarHBondContact O-N 3.32Å; H923-K928 HydrophobicContact CB-CD 4.41Å; H923-K928 HydrophobicContact CB-CG 4.26Å; H923-K928 WeakPolarHBondContact CD2-CE 3.23Å; H923-K928 PolarHBondContact CD2-NZ 2.84Å; H923-K928 VanDerWaalsContact CD2-NZ 3.31Å; H923-K928 PolarHBondContact NE2-NZ 3.45Å
924	L	65.6	Low	83.2	Confident	178 Å²	178	78.4 Å²	78.4	93%	0.932	44%	0.435	S	S	*	.	S	Bend	trans	-66.4	96.6	173.8	-91.2	140.8	0	0	0	109
925	G	70.6	Confident	83.3	Confident	67 Å²	67	79.4 Å²	79.4	69%	0.691	45%	0.446	S	S	*	.	S	Bend	trans	117	-133.5	-172.2	0	0	0	0	0	110.9	H923	H923-G925 PolarHBondContact O-N 3.32Å
926	D	70.9	Confident	83.4	Confident	140 Å²	140	76.5 Å²	76.5	75%	0.749	45%	0.446	S	S	*	.	S	Bend	trans	-76.2	144	178	-62.6	-38.4	0	0	0	111.9
927	P	79.1	Confident	83.3	Confident	47 Å²	47	81.5 Å²	81.5	31%	0.305	47%	0.471	S	S	.	.			trans	-55	139.8	173.9	-22.1	32	0	0	0	111.7	H914 L920 E921	H914-P927 HydrophobicContact CB-CB 3.99Å; H914-P927 HydrophobicContact CB-CG 4.17Å; L920-P927 HydrophobicContact CB-CB 4.26Å; L920-P927 HydrophobicContact CD1-CB 4.13Å; L920-P927 HydrophobicContact CD2-CB 4.28Å; L920-P927 HydrophobicContact CG-CB 4.48Å; E921-P927 WeakPolarHBondContact O-CA 3.08Å
928	K	83.6	Confident	83.3	Confident	112 Å²	112	83.9 Å²	83.9	49%	0.487	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	148.7	176.2	-76.5	-176.2	173.2	168.2	0	110.9	L920 E921 H923 R930	L920-K928 CarbonylContact C-O 3.52Å; L920-K928 WeakPolarHBondContact CA-O 3.3Å; E921-K928 PolarHBondContact N-O 3.32Å; E921-K928 PolarHBondContact O-N 2.7Å; H923-K928 HydrophobicContact CB-CD 4.41Å; H923-K928 HydrophobicContact CB-CG 4.26Å; H923-K928 WeakPolarHBondContact CD2-CE 3.23Å; H923-K928 PolarHBondContact CD2-NZ 2.84Å; H923-K928 VanDerWaalsContact CD2-NZ 3.31Å; H923-K928 PolarHBondContact NE2-NZ 3.45Å; K928-R930 PolarHBondContact O-N 3.24Å
929	P	85.9	Confident	83.4	Confident	74 Å²	74	85.1 Å²	85.1	48%	0.481	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	134	170.9	27.5	-32.9	0	0	0	109.9	V919	V919-P929 CarbonylContact O-C 3.59Å; V919-P929 VanDerWaalsContact O-CA 3.3Å; V919-P929 WeakPolarHBondContact O-CA 3.12Å
930	R	89.8	Confident	83.5	Confident	104 Å²	104	89.9 Å²	89.9	39%	0.392	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-61	163.2	168.3	-69.9	178.7	-170.3	-136.4	4.1	109.3	F711 S917 V919 L920 E921 K928 L932	F711-R930 HydrophobicContact CE1-CB 4.38Å; F711-R930 WeakPolarHBondContact CE1-O 3.42Å; S917-R930 PolarHBondContact O-NH2 3.06Å; V919-R930 WeakPolarHBondContact O-CB 3.48Å; V919-R930 PolarHBondContact O-N 3.26Å; L920-R930 PolarHBondContact O-NE 2.95Å; L920-R930 PolarHBondContact O-NH2 2.88Å; E921-R930 HydrophobicContact CB-CG 3.82Å; K928-R930 PolarHBondContact O-N 3.24Å; R930-L932 PolarHBondContact O-N 2.78Å
931	S	89.1	Confident	83.8	Confident	108 Å²	108	90 Å²	90	76%	0.755	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-63.7	133.3	167.8	58.8	0	0	0	0	110.3
932	L	89.8	Confident	84.1	Confident	61 Å²	61	93.5 Å²	93.5	32%	0.319	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-48.3	123.4	173.8	-176.7	75.3	0	0	0	110	P689 T691 F711 E713 R930	P689-L932 HydrophobicContact CB-CD1 4.46Å; T691-L932 HydrophobicContact CG2-CD1 4.38Å; T691-L932 HydrophobicContact CG2-CD2 4.16Å; F711-L932 HydrophobicContact CB-CD1 3.95Å; F711-L932 HydrophobicContact CD1-CD1 4.34Å; F711-L932 HydrophobicContact CD2-CD1 3.58Å; F711-L932 HydrophobicContact CE2-CD1 4.13Å; F711-L932 HydrophobicContact CG-CD1 3.7Å; E713-L932 HydrophobicContact CB-CD2 4.31Å; E713-L932 HydrophobicContact CG-CD2 4.4Å; R930-L932 PolarHBondContact O-N 2.78Å
933	P	88.9	Confident	84.6	Confident	50 Å²	50	94.3 Å²	94.3	33%	0.325	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-67.1	146.2	178.3	27.4	-33.6	0	0	0	110.3	P689 F711 C935	P689-P933 HydrophobicContact CG-CG 3.81Å; F711-P933 HydrophobicContact CE2-CG 4.35Å; P933-C935 PolarHBondContact O-N 2.97Å
934	A	87.8	Confident	85.4	Confident	98 Å²	98	93.5 Å²	93.5	81%	0.81	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-62.5	138.3	173.5	0	0	0	0	0	110
935	C	88.5	Confident	86.6	Confident	57 Å²	57	88.7 Å²	88.7	39%	0.385	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-59.5	140.4	178	-67.2	0	0	0	0	111.5	C692 P933 H937	C692-C935 WeakPolarHBondContact CA-SG 3.36Å; C692-C935 HydrophobicContact CB-CB 3.66Å; C692-C935 WeakPolarHBondContact CB-SG 3.35Å; C692-C935 WeakPolarHBondContact SG-CA 3.3Å; C692-C935 WeakPolarHBondContact SG-CB 3.36Å; C692-C935 CovalentContact SG-SG 2.05Å; C692-C935 PolarHBondContact SG-SG 2.77Å; P933-C935 PolarHBondContact O-N 2.97Å; C935-H937 PolarHBondContact O-N 3.35Å
936	P	83.2	Confident	87.6	Confident	87 Å²	87	87.5 Å²	87.5	57%	0.565	49%	0.487	S	S	*	.			trans	-63.2	101.5	-178.8	25.8	-33.2	0	0	0	109.5	L938	P936-L938 PolarHBondContact O-N 3.38Å
937	H	80	Confident	88.5	Confident	170 Å²	170	87.5 Å²	87.5	79%	0.787	49%	0.487	S	S	*	.			trans	-85	102.8	177.9	-174.6	-74.8	0	0	0	109.5	C935 S939	C935-H937 PolarHBondContact O-N 3.35Å; H937-S939 PolarHBondContact O-N 3.25Å; H937-S939 VanDerWaalsContact O-N 3.15Å
938	L	85.4	Confident	89	Confident	52 Å²	52	91.1 Å²	91.1	27%	0.272	50%	0.5	S	S	.	.			trans	-69.1	111.5	175.4	-65.2	-179	0	0	0	110.2	P519 A556 P936 W940	P519-L938 HydrophobicContact CB-CD1 4.01Å; P519-L938 HydrophobicContact CG-CD1 3.54Å; A556-L938 HydrophobicContact CB-CB 3.83Å; A556-L938 HydrophobicContact CB-CD2 4.15Å; A556-L938 HydrophobicContact CB-CG 4.39Å; P936-L938 PolarHBondContact O-N 3.38Å; L938-W940 HydrophobicContact CB-CZ2 4.28Å; L938-W940 HydrophobicContact CD1-CH2 3.87Å; L938-W940 HydrophobicContact CD1-CZ2 4.11Å; L938-W940 PolarHBondContact O-N 2.74Å; L938-W940 VanDerWaalsContact O-N 3.14Å
939	S	89.8	Confident	89	Confident	78 Å²	78	91 Å²	91	55%	0.545	51%	0.508	S	S	.	.			trans	-78.1	95.9	169.6	63.7	0	0	0	0	109.3	H937 A941	H937-S939 PolarHBondContact O-N 3.25Å; H937-S939 VanDerWaalsContact O-N 3.15Å; S939-A941 PolarHBondContact O-N 2.9Å
940	W	93	Very high	88.9	Confident	102 Å²	102	88 Å²	88	39%	0.386	49%	0.49	S	S	.	.	B	Isolated β-bridge	trans	-56.9	130.4	176.1	-58.2	110.5	0	0	0	111.3	P519 E554 A556 L938	P519-W940 HydrophobicContact CG-CH2 4.27Å; E554-W940 HydrophobicContact CB-CD2 4.17Å; E554-W940 HydrophobicContact CB-CE3 3.68Å; E554-W940 HydrophobicContact CB-CZ3 4.05Å; A556-W940 HydrophobicContact CB-CD2 4.48Å; A556-W940 HydrophobicContact CB-CE3 3.86Å; A556-W940 HydrophobicContact CB-CZ3 4.05Å; L938-W940 HydrophobicContact CB-CZ2 4.28Å; L938-W940 HydrophobicContact CD1-CH2 3.87Å; L938-W940 HydrophobicContact CD1-CZ2 4.11Å; L938-W940 PolarHBondContact O-N 2.74Å; L938-W940 VanDerWaalsContact O-N 3.14Å
941	A	93.4	Very high	88.6	Confident	23 Å²	23	85.9 Å²	85.9	19%	0.19	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-67.5	138.6	178.7	0	0	0	0	0	110.4	W542 V555 F557 S939 P943	W542-A941 HydrophobicContact CB-CB 3.84Å; V555-A941 VanDerWaalsContact O-CB 3.31Å; V555-A941 WeakPolarHBondContact O-CB 3.3Å; V555-A941 PolarHBondContact O-N 3.28Å; F557-A941 HydrophobicContact CD2-CB 4.13Å; F557-A941 HydrophobicContact CE2-CB 3.5Å; F557-A941 VanDerWaalsContact CE2-CB 3.5Å; F557-A941 HydrophobicContact CZ-CB 4.32Å; S939-A941 PolarHBondContact O-N 2.9Å; A941-P943 WeakPolarHBondContact O-CD 3.49Å
942	K	92.6	Very high	87.9	Confident	188 Å²	188	86.1 Å²	86.1	82%	0.817	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-69.6	119.4	173.7	-68.4	-177.8	179.9	179.2	0	108.5	Q944	K942-Q944 PolarHBondContact O-N 2.8Å
943	P	92.3	Very high	87.2	Confident	82 Å²	82	88.1 Å²	88.1	53%	0.532	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-68.6	132.9	-177.6	26.9	-33.2	0	0	0	110.8	P544 A941 P945	P544-P943 HydrophobicContact CG-CB 3.87Å; A941-P943 WeakPolarHBondContact O-CD 3.49Å; P943-P945 VanDerWaalsContact O-CD 3.26Å; P943-P945 WeakPolarHBondContact O-CD 3.15Å
944	Q	93.6	Very high	86.7	Confident	86 Å²	86	87.5 Å²	87.5	40%	0.402	50%	0.496	S	S	.	.			trans	-106.2	85.6	169.8	-68.4	-179.8	5.7	0	0	108.8	W542 Q543 K942	W542-Q944 PolarHBondContact O-N 2.98Å; Q543-Q944 WeakPolarHBondContact CA-O 3.19Å; Q543-Q944 HydrophobicContact CG-CB 4.02Å; K942-Q944 PolarHBondContact O-N 2.8Å
945	P	91.3	Very high	86.1	Confident	77 Å²	77	85.9 Å²	85.9	50%	0.5	47%	0.469	S	S	.	.			trans	-67.1	137.6	-169.8	27.5	-35	0	0	0	112.3	P544 L546 P943	P544-P945 HydrophobicContact CG-CB 4.39Å; L546-P945 HydrophobicContact CD1-CB 4.07Å; L546-P945 HydrophobicContact CD2-CB 3.69Å; L546-P945 HydrophobicContact CG-CB 3.88Å; P943-P945 VanDerWaalsContact O-CD 3.26Å; P943-P945 WeakPolarHBondContact O-CD 3.15Å
946	L	91.8	Very high	84.7	Confident	41 Å²	41	91.1 Å²	91.1	22%	0.215	49%	0.485	C	S	.	.	B	Isolated β-bridge	trans	-111.6	132.1	176.5	-63.8	178	0	0	0	110.7	Q543 P544 Y545 L546 E948	Q543-L946 HydrophobicContact CB-CD1 3.92Å; Q543-L946 HydrophobicContact CB-CG 4.29Å; Q543-L946 HydrophobicContact CG-CD1 4.46Å; P544-L946 PolarHBondContact O-N 2.76Å; Y545-L946 HydrophobicContact CD1-CB 4.47Å; Y545-L946 HydrophobicContact CE1-CD1 4.37Å; L546-L946 PolarHBondContact N-O 3.29Å; L946-E948 PolarHBondContact O-N 3.28Å
947	N	90.2	Very high	83.2	Confident	140 Å²	140	94.1 Å²	94.1	75%	0.749	49%	0.491	S	S	*	.			trans	-89.2	45.4	172.3	-160.4	15.5	0	0	0	111.3	L546	L546-N947 HydrophobicContact CD1-CB 4.47Å
948	E	88.8	Confident	81.6	Confident	124 Å²	124	89 Å²	89	58%	0.579	47%	0.468	S	S	*	.	S	Bend	trans	-119.1	149.8	178.5	-66.8	-174.7	178	0	0	109.5	Y545 P547 L946	Y545-E948 WeakPolarHBondContact CD1-O 3.35Å; P547-E948 WeakPolarHBondContact CD-O 3.25Å; L946-E948 PolarHBondContact O-N 3.28Å
949	T	84.9	Confident	79.4	Confident	109 Å²	109	95.5 Å²	95.5	67%	0.669	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-76.9	130	176.9	54.3	0	0	0	0	110.8
950	A	82.9	Confident	76.9	Confident	12 Å²	12	99.6 Å²	99.6	10%	0.099	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-59.1	151.2	174.4	0	0	0	0	0	112.2	Y545 Q548 Q588 S952	Y545-A950 HydrophobicContact CD1-CB 4.43Å; Y545-A950 HydrophobicContact CD2-CB 3.42Å; Y545-A950 VanDerWaalsContact CD2-CB 3.42Å; Y545-A950 HydrophobicContact CE2-CB 3.86Å; Y545-A950 HydrophobicContact CG-CB 3.76Å; Q548-A950 HydrophobicContact CB-CB 4.33Å; Q548-A950 HydrophobicContact CG-CB 3.87Å; Q588-A950 HydrophobicContact CB-CB 4.06Å; A950-S952 PolarHBondContact O-N 3.09Å
951	P	83.6	Confident	74.2	Confident	58 Å²	58	100.7 Å²	100.7	38%	0.377	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-60.9	128.8	176.2	-17.2	28.9	0	0	0	111.3	N953 L954	P951-N953 VanDerWaalsContact C-N 3.3Å; P951-N953 PolarHBondContact O-N 3.45Å; P951-L954 HydrophobicContact CB-CD2 4.3Å; P951-L954 HydrophobicContact CG-CD2 4.45Å
952	S	74.3	Confident	71.4	Confident	114 Å²	114	104.7 Å²	104.7	80%	0.797	55%	0.548	S	S	*	.	S	Bend	trans	-65.6	-30.8	-176.9	63.5	0	0	0	0	113.9	A950	A950-S952 PolarHBondContact O-N 3.09Å
953	N	75.8	Confident	68.8	Low	103 Å²	103	98.6 Å²	98.6	55%	0.551	52%	0.524	S	S	*	.			trans	-129.8	106.6	178.2	-74.3	-31.3	0	0	0	109.3	P951 W955	P951-N953 VanDerWaalsContact C-N 3.3Å; P951-N953 PolarHBondContact O-N 3.45Å; N953-W955 VanDerWaalsContact C-N 3.32Å
954	L	78.8	Confident	66.1	Low	37 Å²	37	98.6 Å²	98.6	19%	0.194	52%	0.52	C	S	.	.	S	Bend	trans	-67.1	-38.5	173.7	-61.1	-174.4	0	0	0	110.9	Y496 D498 P616 K618 P951	Y496-L954 HydrophobicContact CD2-CB 3.92Å; Y496-L954 HydrophobicContact CD2-CD1 4.11Å; Y496-L954 HydrophobicContact CE2-CB 4.38Å; Y496-L954 HydrophobicContact CG-CB 4.06Å; D498-L954 HydrophobicContact CB-CD1 4.12Å; P616-L954 HydrophobicContact CB-CD1 4.11Å; P616-L954 HydrophobicContact CB-CD2 3.43Å; P616-L954 VanDerWaalsContact CB-CD2 3.43Å; P616-L954 HydrophobicContact CB-CG 4.33Å; P616-L954 HydrophobicContact CG-CD2 4.07Å; K618-L954 HydrophobicContact CB-CD1 3.75Å; K618-L954 HydrophobicContact CD-CD1 4.3Å; P951-L954 HydrophobicContact CB-CD2 4.3Å; P951-L954 HydrophobicContact CG-CD2 4.45Å
955	W	73.6	Confident	63.5	Low	64 Å²	64	99.4 Å²	99.4	24%	0.242	53%	0.526	C	S	.	.	S	Bend	trans	-106.7	126.3	168.9	-173.9	75.4	0	0	0	110.9	R460 Y496 N953 H957	R460-W955 HydrophobicContact CB-CZ2 4.37Å; R460-W955 HydrophobicContact CG-CZ2 4.3Å; Y496-W955 HydrophobicContact CE1-CB 3.95Å; Y496-W955 HydrophobicContact CE1-CG 4.47Å; N953-W955 VanDerWaalsContact C-N 3.32Å; W955-H957 HydrophobicContact CH2-CB 4.19Å; W955-H957 AromaticContact CH2-CG 3.85Å; W955-H957 AromaticContact CH2-ND1 3.42Å; W955-H957 WeakPolarHBondContact CH2-ND1 3.45Å; W955-H957 HydrophobicContact CZ3-CB 4.09Å; W955-H957 AromaticContact CZ3-CD2 3.82Å; W955-H957 AromaticContact CZ3-CE1 3.29Å; W955-H957 WeakPolarHBondContact CZ3-CE1 3.44Å; W955-H957 AromaticContact CZ3-CG 3.37Å; W955-H957 AromaticContact CZ3-ND1 3.03Å; W955-H957 WeakPolarHBondContact CZ3-ND1 3.42Å; W955-H957 AromaticContact CZ3-NE2 3.77Å
956	K	60.3	Low	60.9	Low	166 Å²	166	103 Å²	103	72%	0.722	54%	0.541	S	S	*	.			trans	-94.9	116.5	170.9	-70.2	179.9	-178.5	174.6	0	108.3	Q958	K956-Q958 PolarHBondContact O-N 3.4Å
957	H	50.5	Low	58.3	Low	150 Å²	150	109.2 Å²	109.2	69%	0.694	57%	0.566	S	S	*	*			trans	-48.3	117.2	166.2	-69.2	-90.8	0	0	0	108.3	W955 K959	W955-H957 HydrophobicContact CH2-CB 4.19Å; W955-H957 AromaticContact CH2-CG 3.85Å; W955-H957 AromaticContact CH2-ND1 3.42Å; W955-H957 WeakPolarHBondContact CH2-ND1 3.45Å; W955-H957 HydrophobicContact CZ3-CB 4.09Å; W955-H957 AromaticContact CZ3-CD2 3.82Å; W955-H957 AromaticContact CZ3-CE1 3.29Å; W955-H957 WeakPolarHBondContact CZ3-CE1 3.44Å; W955-H957 AromaticContact CZ3-CG 3.37Å; W955-H957 AromaticContact CZ3-ND1 3.03Å; W955-H957 WeakPolarHBondContact CZ3-ND1 3.42Å; W955-H957 AromaticContact CZ3-NE2 3.77Å; H957-K959 PolarHBondContact O-N 2.98Å
958	Q	47.8	Very low	55.7	Low	63 Å²	63	104.9 Å²	104.9	29%	0.294	55%	0.545	S	S	.	.			trans	-70.7	99.6	178.8	-62.4	-177.6	1.4	0	0	107	R478 K956 L960	R478-Q958 VanDerWaalsContact CZ-NE2 3.29Å; R478-Q958 VanDerWaalsContact CZ-OE1 3.27Å; R478-Q958 VanDerWaalsContact NH1-CG 3.33Å; K956-Q958 PolarHBondContact O-N 3.4Å; Q958-L960 PolarHBondContact O-N 3.46Å
959	K	39	Very low	53.1	Low	188 Å²	188	103.7 Å²	103.7	82%	0.817	56%	0.556	S	S	*	*			trans	-54.5	129.7	164.4	-78.8	-177.3	178.4	179.4	0	106	H957 L961	H957-K959 PolarHBondContact O-N 2.98Å; K959-L961 VanDerWaalsContact C-N 3.28Å; K959-L961 PolarHBondContact O-N 3.03Å
960	L	36	Very low	50.6	Low	164 Å²	164	103.1 Å²	103.1	86%	0.859	55%	0.548	S	S	*	.			trans	-48	103.7	162.7	-82.6	149.7	0	0	0	105.6	Q958 S962	Q958-L960 PolarHBondContact O-N 3.46Å; L960-S962 PolarHBondContact O-N 3.39Å
961	L	37	Very low	48.3	Very low	126 Å²	126	106.8 Å²	106.8	66%	0.66	57%	0.571	S	S	*	*			trans	-60	105.5	159	-82	159.9	0	0	0	102.3	K959 I963	K959-L961 VanDerWaalsContact C-N 3.28Å; K959-L961 PolarHBondContact O-N 3.03Å; L961-I963 PolarHBondContact O-N 2.67Å
962	S	34.7	Very low	45.7	Very low	106 Å²	106	110 Å²	110	74%	0.741	60%	0.595	S	S	*	*			trans	-51.7	102.3	151.8	49	0	0	0	0	103.4	L960 D964	L960-S962 PolarHBondContact O-N 3.39Å; S962-D964 PolarHBondContact O-N 2.88Å
963	I	38.2	Very low	43.7	Very low	61 Å²	61	113.5 Å²	113.5	31%	0.313	60%	0.596	S	S	.	*			trans	-59	105.1	171.7	-64.9	170.8	0	0	0	103.1	L477 L961 L965 V968	L477-I963 HydrophobicContact CB-CD1 4.26Å; L477-I963 HydrophobicContact CD1-CD1 3.5Å; L961-I963 PolarHBondContact O-N 2.67Å; I963-L965 HydrophobicContact CG2-CG 4.33Å; I963-L965 PolarHBondContact O-N 2.98Å; I963-V968 HydrophobicContact CG2-CG2 4.25Å
964	D	34.8	Very low	41.6	Very low	82 Å²	82	120 Å²	120	44%	0.439	61%	0.613	S	S	.	*			trans	-68.4	88.8	170.3	-157.2	9.1	0	0	0	103.7	S962 D966 K967	S962-D964 PolarHBondContact O-N 2.88Å; D964-D966 PolarHBondContact O-N 3.05Å; D964-K967 HydrophobicContact CB-CD 4.48Å; D964-K967 HydrophobicContact CB-CG 4.42Å; D964-K967 PolarHBondContact O-N 2.81Å
965	L	39	Very low	39.5	Very low	103 Å²	103	125.6 Å²	125.6	54%	0.539	64%	0.638	S	S	.	*	G	3₁₀ helix	trans	-54.1	-20.9	-178.3	-85.6	152.1	0	0	0	111	I963 K967 V968	I963-L965 HydrophobicContact CG2-CG 4.33Å; I963-L965 PolarHBondContact O-N 2.98Å; L965-K967 VanDerWaalsContact C-N 3.3Å; L965-K967 PolarHBondContact O-N 3.24Å; L965-V968 PolarHBondContact O-N 3.13Å
966	D	38	Very low	37.5	Very low	151 Å²	151	130.4 Å²	130.4	81%	0.807	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-71.6	-17.8	175.2	-64.3	-16.4	0	0	0	113.9	D964	D964-D966 PolarHBondContact O-N 3.05Å
967	K	35.4	Very low	36	Very low	173 Å²	173	132 Å²	132	75%	0.752	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-96.1	-9.7	174.7	-70.2	-174.6	-178.2	176.8	0	113.9	D964 L965 A969	D964-K967 HydrophobicContact CB-CD 4.48Å; D964-K967 HydrophobicContact CB-CG 4.42Å; D964-K967 PolarHBondContact O-N 2.81Å; L965-K967 VanDerWaalsContact C-N 3.3Å; L965-K967 PolarHBondContact O-N 3.24Å; K967-A969 PolarHBondContact O-N 3.1Å
968	V	35.8	Very low	35	Very low	49 Å²	49	130.8 Å²	130.8	30%	0.297	68%	0.676	S	S	.	*	S	Bend	trans	-83.7	103	167.9	179.2	0	0	0	0	106.1	M213 I963 L965 L970	M213-V968 HydrophobicContact CE-CG1 3.73Å; I963-V968 HydrophobicContact CG2-CG2 4.25Å; L965-V968 PolarHBondContact O-N 3.13Å; V968-L970 VanDerWaalsContact C-N 3.26Å; V968-L970 HydrophobicContact CG1-CD2 4.48Å; V968-L970 PolarHBondContact O-N 2.83Å
969	A	34.6	Very low	34.1	Very low	98 Å²	98	136.5 Å²	136.5	81%	0.81	70%	0.702	S	S	*	*			trans	-64.7	89.3	174.4	0	0	0	0	0	109.4	K967 P971	K967-A969 PolarHBondContact O-N 3.1Å; A969-P971 WeakPolarHBondContact O-CD 3.37Å
970	L	33.5	Very low	33.7	Very low	97 Å²	97	134.2 Å²	134.2	51%	0.508	70%	0.704	S	S	.	*			trans	-65.7	122.9	170.5	-70.3	167.7	0	0	0	107.7	M213 V968 S972	M213-L970 HydrophobicContact CG-CD2 4.31Å; V968-L970 VanDerWaalsContact C-N 3.26Å; V968-L970 HydrophobicContact CG1-CD2 4.48Å; V968-L970 PolarHBondContact O-N 2.83Å; L970-S972 PolarHBondContact O-N 3.06Å
971	P	33.1	Very low	33.2	Very low	90 Å²	90	137.3 Å²	137.3	58%	0.584	70%	0.704	S	S	*	*			trans	-63.2	123.6	172.6	22.8	-28.7	0	0	0	108.9	A969 F973	A969-P971 WeakPolarHBondContact O-CD 3.37Å; P971-F973 PolarHBondContact O-N 3.29Å
972	S	29.9	Very low	32.8	Very low	124 Å²	124	136.9 Å²	136.9	87%	0.867	71%	0.709	S	S	*	*			trans	-68	92.4	178.4	67.5	0	0	0	0	110.1	L970	L970-S972 PolarHBondContact O-N 3.06Å
973	F	32.8	Very low	32.5	Very low	189 Å²	189	140.3 Å²	140.3	83%	0.829	72%	0.718	S	S	*	*			trans	-85.5	115.3	169.7	-104.1	-88.2	0	0	0	110.1	P971 Q975	P971-F973 PolarHBondContact O-N 3.29Å; F973-Q975 PolarHBondContact O-N 2.75Å
974	R	30.9	Very low	32	Very low	239 Å²	239	142.8 Å²	142.8	90%	0.902	74%	0.74	S	S	*	*			trans	-58.2	117.3	164.7	-79	-179.7	174	178.3	-2	108.6	N976	R974-N976 PolarHBondContact O-N 2.83Å; R974-N976 VanDerWaalsContact O-N 3.14Å
975	Q	33.9	Very low	31.9	Very low	155 Å²	155	145.1 Å²	145.1	72%	0.724	76%	0.76	S	S	*	*			trans	-67.8	105.6	172.2	-74	-178.3	-7.1	0	0	110.1	F973 R977	F973-Q975 PolarHBondContact O-N 2.75Å; Q975-R977 PolarHBondContact O-N 3.44Å
976	N	31.7	Very low	31.4	Very low	164 Å²	164	143.6 Å²	143.6	88%	0.877	77%	0.769	S	S	*	*			trans	-89.5	88.5	151.5	-85.3	-8.3	0	0	0	107.7	R974	R974-N976 PolarHBondContact O-N 2.83Å; R974-N976 VanDerWaalsContact O-N 3.14Å
977	R	29.6	Very low	30.9	Very low	199 Å²	199	145.3 Å²	145.3	75%	0.751	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-84.9	131.4	162.5	-89.5	-178.1	172.6	179.5	-1.2	108.8	Q975 Q979	Q975-R977 PolarHBondContact O-N 3.44Å; R977-Q979 PolarHBondContact O-N 3.49Å
978	P	29.8	Very low	30.6	Very low	126 Å²	126	143.1 Å²	143.1	82%	0.818	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-70.5	120.3	158.7	16.3	-8.6	0	0	0	108.9
979	Q	28.5	Very low	30.1	Very low	182 Å²	182	144.2 Å²	144.2	85%	0.85	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-70.3	126.5	178.8	-74.5	-171	-12.8	0	0	111.4	R977	R977-Q979 PolarHBondContact O-N 3.49Å
980	V	30.9	Very low	29.8	Very low	140 Å²	140	143.8 Å²	143.8	85%	0.848	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-85.5	119.1	156.3	177.2	0	0	0	0	106.9
981	R	24.2	Very low	29.4	Very low	230 Å²	230	150 Å²	150	87%	0.868	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-63	134.4	-179.6	-71.1	177.4	178.1	175.4	-1.7	111.8
982	P	29.1	Very low	29.1	Very low	116 Å²	116	152.1 Å²	152.1	75%	0.753	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-94.2	137.7	149.5	3.4	16.6	0	0	0	109.7
983	L	29.4	Very low	28.8	Very low	179 Å²	179	153.6 Å²	153.6	94%	0.937	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-61.8	129.9	172	-75	149.6	0	0	0	110.4
984	S	27.8	Very low	28.9	Very low	112 Å²	112	150.4 Å²	150.4	78%	0.783	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-78.1	156.9	165	-51.8	0	0	0	0	110.5
985	P	32.8	Very low	28.7	Very low	132 Å²	132	142.7 Å²	142.7	86%	0.857	81%	0.809	S	S	*	*				-141	153.2	108.4	34.3	-20.1	0	0	0	114
986	G	28.1	Very low	28.3	Very low	70 Å²	70	138.6 Å²	138.6	72%	0.722	81%	0.809	S	S	*	*			trans	114.2	78.5	148.6	0	0	0	0	0	117.8
987	E	28.2	Very low	28.1	Very low	188 Å²	188	139.1 Å²	139.1	88%	0.879	81%	0.81	S	S	*	*				57.2	135.9	128.7	-69	-176.5	152.3	0	0	124.2
988	S	28.1	Very low	27.8	Very low	126 Å²	126	137.5 Å²	137.5	88%	0.881	81%	0.813	S	S	*	*			trans	74.3	128.5	152.9	75	0	0	0	0	116.2
989	G	25.9	Very low	28.5	Very low	73 Å²	73	137.3 Å²	137.3	75%	0.753	81%	0.812	S	S	*	*			cis	166.1	157.8	3.9	0	0	0	0	0	107.6
990	A	28.2	Very low	28.4	Very low	88 Å²	88	132 Å²	132	73%	0.727	81%	0.806	S	S	*	*			trans	80.2	92.3	160.1	0	0	0	0	0	119.8
991	W	25.5	Very low	28.2	Very low	228 Å²	228	136.5 Å²	136.5	86%	0.864	81%	0.808	S	S	*	*				59.6	130.1	110.1	-64.5	110.2	0	0	0	121.1
992	D	26.5	Very low	28.3	Very low	135 Å²	135	134.9 Å²	134.9	72%	0.722	80%	0.803	S	S	*	*			trans	94.5	82.4	143.1	-59.4	-24.8	0	0	0	121.3
993	I	23.1	Very low	28.3	Very low	155 Å²	155	135.6 Å²	135.6	80%	0.795	80%	0.8	S	S	*	*				-32.4	154.9	124.4	-60.9	173.3	0	0	0	111.6
994	P	35.6	Very low	28.3	Very low	121 Å²	121	135.1 Å²	135.1	79%	0.786	79%	0.793	S	S	*	*			cis	-138.5	169.1	18	15.1	12.2	0	0	0	117.1
995	G	26.6	Very low	28.4	Very low	77 Å²	77	137.3 Å²	137.3	79%	0.794	80%	0.796	S	S	*	*				115.3	104.1	117.2	0	0	0	0	0	117.5
996	G	24.4	Very low	28.6	Very low	70 Å²	70	138 Å²	138	72%	0.722	80%	0.798	S	S	*	*				106.3	120.3	117.9	0	0	0	0	0	118.3
997	I	28	Very low	28.8	Very low	174 Å²	174	137.8 Å²	137.8	89%	0.892	80%	0.795	S	S	*	*			trans	89.1	94.8	139.7	-50.5	169.9	0	0	0	116.5
998	M	23	Very low	29.3	Very low	166 Å²	166	137.8 Å²	137.8	82%	0.818	80%	0.795	S	S	*	*			trans	-54.8	173.1	147.3	-78.3	-82.6	-131.9	0	0	112.3
999	P	45.2	Very low	30	Very low	122 Å²	122	137.3 Å²	137.3	79%	0.792	79%	0.787	S	S	*	*			cis	-137	176.8	-15.3	27.7	-5.3	0	0	0	113.4
1000	G	26.1	Very low	31.2	Very low	71 Å²	71	141.5 Å²	141.5	73%	0.732	79%	0.791	S	S	*	*			trans	134.7	103.8	141.8	0	0	0	0	0	119.2
1001	R	26	Very low	32	Very low	234 Å²	234	141.6 Å²	141.6	88%	0.883	78%	0.784	S	S	*	*			trans	55.1	127.2	136.5	-81.2	-171.9	170.8	173.1	-2.4	122.6
1002	Y	26.9	Very low	33.1	Very low	195 Å²	195	135.3 Å²	135.3	77%	0.765	77%	0.77	S	S	*	*			trans	85	102.9	135.1	-99.8	-102.6	0	0	0	120.6
1003	N	28.4	Very low	34.2	Very low	131 Å²	131	136.4 Å²	136.4	70%	0.701	77%	0.769	S	S	*	*				61.6	145.1	129.7	-86.3	-0.8	0	0	0	123.2
1004	Q	30	Very low	35.6	Very low	169 Å²	169	132.4 Å²	132.4	79%	0.79	76%	0.759	S	S	*	*			trans	79.4	101.7	163.7	-73.2	169.3	-36.5	0	0	115.6
1005	D	29.3	Very low	36.3	Very low	158 Å²	158	134.3 Å²	134.3	85%	0.845	76%	0.755	S	S	*	*				-167.6	144.3	84	-95.5	-33.6	0	0	0	114
1006	V	37.3	Very low	37.7	Very low	148 Å²	148	135.6 Å²	135.6	90%	0.897	74%	0.743	S	S	*	*			trans	-87.6	126.4	174.3	173.2	0	0	0	0	107.6
1007	G	32	Very low	39.4	Very low	64 Å²	64	134.1 Å²	134.1	66%	0.66	73%	0.728	S	S	*	*			trans	-170.8	111.9	171.2	0	0	0	0	0	113.5
1008	Q	39.5	Very low	41.2	Very low	188 Å²	188	128.4 Å²	128.4	88%	0.879	71%	0.707	S	S	*	*			trans	85.8	86.3	159.4	-54.2	-168.8	-13.3	0	0	118.7
1009	T	43.2	Very low	43	Very low	116 Å²	116	126 Å²	126	71%	0.712	70%	0.695	S	S	*	*			trans	-159.4	53.4	136.6	38.6	0	0	0	0	109.9
1010	I	49.6	Very low	44.1	Very low	162 Å²	162	125 Å²	125	83%	0.831	69%	0.686	S	S	*	*			trans	-113.8	72.6	174.4	-52.6	172.2	0	0	0	107.7
1011	P	46.8	Very low	46.2	Very low	89 Å²	89	125.7 Å²	125.7	58%	0.578	68%	0.676	S	S	*	*	S	Bend	trans	-142.4	-1.4	134.1	26.3	-7.3	0	0	0	115.4
1012	V	47.6	Very low	48.1	Very low	96 Å²	96	119.4 Å²	119.4	58%	0.582	66%	0.66	S	S	*	*	H	α-helix	trans	-87.1	-34.1	-174.5	-177.6	0	0	0	0	112.5	L1016	V1012-L1016 HydrophobicContact CG1-CD1 4.4Å; V1012-L1016 PolarHBondContact O-N 2.96Å
1013	F	50.3	Low	50.1	Low	159 Å²	159	112.9 Å²	112.9	70%	0.697	65%	0.646	S	S	*	*	H	α-helix	trans	-75.8	-28.1	-178.2	-70.7	-74	0	0	0	114	G1017	F1013-G1017 PolarHBondContact O-N 3.06Å; F1013-G1017 VanDerWaalsContact O-N 3.09Å
1014	A	51.1	Low	52.2	Low	71 Å²	71	113 Å²	113	59%	0.587	64%	0.64	S	S	*	*	H	α-helix	trans	-68.9	-36.1	176.5	0	0	0	0	0	111.9	A1018	A1014-A1018 PolarHBondContact O-N 3.19Å
1015	F	50.4	Low	54	Low	160 Å²	160	111.1 Å²	111.1	70%	0.702	63%	0.63	S	S	*	*	H	α-helix	trans	-70.9	-38.7	177	-106.4	-85.5	0	0	0	112.8	A1018 M1019	F1015-A1018 PolarHBondContact O-N 3.23Å; F1015-M1019 PolarHBondContact O-N 3.38Å
1016	L	56	Low	56.1	Low	104 Å²	104	107.4 Å²	107.4	55%	0.545	61%	0.613	S	S	.	*	H	α-helix	trans	-66.1	-38.1	174.7	-94	153.6	0	0	0	112.2	V1012 M1019 V1020	V1012-L1016 HydrophobicContact CG1-CD1 4.4Å; V1012-L1016 PolarHBondContact O-N 2.96Å; L1016-M1019 PolarHBondContact O-N 2.92Å; L1016-V1020 WeakPolarHBondContact O-CG2 3.38Å; L1016-V1020 PolarHBondContact O-N 3.29Å
1017	G	61.3	Low	57.8	Low	40 Å²	40	104.3 Å²	104.3	41%	0.412	59%	0.594	S	S	.	*	H	α-helix	trans	-62.4	-43.1	175.2	0	0	0	0	0	112.9	F1013 M1019 V1020 V1021	F1013-G1017 PolarHBondContact O-N 3.06Å; F1013-G1017 VanDerWaalsContact O-N 3.09Å; G1017-M1019 PolarHBondContact O-N 3.31Å; G1017-V1020 PolarHBondContact O-N 2.83Å; G1017-V1021 WeakPolarHBondContact O-CG2 3.09Å; G1017-V1021 PolarHBondContact O-N 2.87Å
1018	A	64.6	Low	59.3	Low	53 Å²	53	106.1 Å²	106.1	44%	0.438	59%	0.585	S	S	.	*	H	α-helix	trans	-65.7	-38.1	-179.5	0	0	0	0	0	112.9	A1014 F1015 V1021 L1022	A1014-A1018 PolarHBondContact O-N 3.19Å; F1015-A1018 PolarHBondContact O-N 3.23Å; A1018-V1021 PolarHBondContact O-N 2.86Å; A1018-L1022 PolarHBondContact O-N 2.78Å; A1018-L1022 VanDerWaalsContact O-N 3.12Å
1019	M	60.6	Low	60.5	Low	117 Å²	117	101.8 Å²	101.8	58%	0.576	57%	0.567	S	S	*	*	H	α-helix	trans	-67.2	-36.7	178.4	-78.2	-73.4	114.7	0	0	113	F1015 L1016 G1017 L1022 A1023	F1015-M1019 PolarHBondContact O-N 3.38Å; L1016-M1019 PolarHBondContact O-N 2.92Å; G1017-M1019 PolarHBondContact O-N 3.31Å; M1019-L1022 HydrophobicContact CE-CD1 4.13Å; M1019-L1022 PolarHBondContact O-N 2.9Å; M1019-A1023 WeakPolarHBondContact O-CB 3.26Å; M1019-A1023 PolarHBondContact O-N 2.64Å
1020	V	68.9	Low	61.2	Low	99 Å²	99	101.1 Å²	101.1	60%	0.6	56%	0.559	S	S	*	*	H	α-helix	trans	-69.3	-36.8	178.5	174.3	0	0	0	0	111.4	L1016 G1017 A1023 F1024	L1016-V1020 WeakPolarHBondContact O-CG2 3.38Å; L1016-V1020 PolarHBondContact O-N 3.29Å; G1017-V1020 PolarHBondContact O-N 2.83Å; V1020-A1023 PolarHBondContact O-N 2.91Å; V1020-F1024 PolarHBondContact O-N 3.49Å
1021	V	69.6	Low	61.3	Low	86 Å²	86	100.1 Å²	100.1	52%	0.521	55%	0.549	S	S	.	.	H	α-helix	trans	-69	-39.6	176.8	176.7	0	0	0	0	111	G1017 A1018 F1024 F1025	G1017-V1021 WeakPolarHBondContact O-CG2 3.09Å; G1017-V1021 PolarHBondContact O-N 2.87Å; A1018-V1021 PolarHBondContact O-N 2.86Å; V1021-F1024 PolarHBondContact O-N 2.74Å; V1021-F1025 HydrophobicContact CG1-CD2 4.17Å; V1021-F1025 HydrophobicContact CG1-CE2 4.31Å; V1021-F1025 PolarHBondContact O-N 3.26Å; V1021-F1025 VanDerWaalsContact O-N 3.14Å
1022	L	67	Low	61.5	Low	103 Å²	103	99.8 Å²	99.8	54%	0.539	55%	0.554	S	S	.	*	H	α-helix	trans	-63.2	-43.2	174.5	-109.8	150.9	0	0	0	112.1	A1018 M1019 F1024 F1025 V1026	A1018-L1022 PolarHBondContact O-N 2.78Å; A1018-L1022 VanDerWaalsContact O-N 3.12Å; M1019-L1022 HydrophobicContact CE-CD1 4.13Å; M1019-L1022 PolarHBondContact O-N 2.9Å; L1022-F1024 VanDerWaalsContact C-N 3.3Å; L1022-F1024 PolarHBondContact O-N 3.31Å; L1022-F1025 PolarHBondContact O-N 3.01Å; L1022-V1026 WeakPolarHBondContact O-CG2 3.21Å; L1022-V1026 PolarHBondContact O-N 2.94Å; L1022-V1026 VanDerWaalsContact O-N 3.08Å
1023	A	69.1	Low	61.4	Low	58 Å²	58	103.7 Å²	103.7	48%	0.479	56%	0.563	S	S	.	*	H	α-helix	trans	-62.1	-38	175.5	0	0	0	0	0	112.2	M1019 V1020 V1026 V1027	M1019-A1023 WeakPolarHBondContact O-CB 3.26Å; M1019-A1023 PolarHBondContact O-N 2.64Å; V1020-A1023 PolarHBondContact O-N 2.91Å; A1023-V1026 PolarHBondContact O-N 2.83Å; A1023-V1027 VanDerWaalsContact O-CG2 3.29Å; A1023-V1027 WeakPolarHBondContact O-CG2 3.4Å; A1023-V1027 PolarHBondContact O-N 2.87Å; A1023-V1027 VanDerWaalsContact O-N 3.14Å
1024	F	71.8	Confident	61.3	Low	132 Å²	132	100.3 Å²	100.3	58%	0.579	56%	0.559	S	S	*	*	H	α-helix	trans	-65.5	-40.4	177.7	-170.3	-97.1	0	0	0	112.6	V1020 V1021 L1022 V1027 Q1028	V1020-F1024 PolarHBondContact O-N 3.49Å; V1021-F1024 PolarHBondContact O-N 2.74Å; L1022-F1024 VanDerWaalsContact C-N 3.3Å; L1022-F1024 PolarHBondContact O-N 3.31Å; F1024-V1027 PolarHBondContact O-N 2.99Å; F1024-Q1028 HydrophobicContact CD1-CG 4.45Å; F1024-Q1028 HydrophobicContact CE1-CG 4.16Å; F1024-Q1028 PolarHBondContact O-N 3.36Å; F1024-Q1028 VanDerWaalsContact O-N 3.16Å
1025	F	67.8	Low	60.8	Low	131 Å²	131	107.7 Å²	107.7	58%	0.575	57%	0.572	S	S	*	*	H	α-helix	trans	-70	-38	177.5	-92.6	-81.4	0	0	0	113	V1021 L1022 V1027 Q1028 I1029	V1021-F1025 HydrophobicContact CG1-CD2 4.17Å; V1021-F1025 HydrophobicContact CG1-CE2 4.31Å; V1021-F1025 PolarHBondContact O-N 3.26Å; V1021-F1025 VanDerWaalsContact O-N 3.14Å; L1022-F1025 PolarHBondContact O-N 3.01Å; F1025-V1027 VanDerWaalsContact C-N 3.32Å; F1025-V1027 PolarHBondContact O-N 2.97Å; F1025-Q1028 PolarHBondContact O-N 3.22Å; F1025-I1029 WeakPolarHBondContact O-CG1 3.34Å; F1025-I1029 PolarHBondContact O-N 3.04Å
1026	V	73.3	Confident	60.3	Low	80 Å²	80	106.1 Å²	106.1	49%	0.485	58%	0.577	S	S	.	*	H	α-helix	trans	-63.5	-38.2	175.5	172.9	0	0	0	0	111.4	L1022 A1023 I1029 N1030	L1022-V1026 WeakPolarHBondContact O-CG2 3.21Å; L1022-V1026 PolarHBondContact O-N 2.94Å; L1022-V1026 VanDerWaalsContact O-N 3.08Å; A1023-V1026 PolarHBondContact O-N 2.83Å; V1026-I1029 PolarHBondContact O-N 3.3Å; V1026-N1030 PolarHBondContact O-N 3.19Å
1027	V	72.6	Confident	59.6	Low	83 Å²	83	111.4 Å²	111.4	50%	0.503	60%	0.596	S	S	.	*	H	α-helix	trans	-68.3	-37.6	176.9	171.4	0	0	0	0	112.1	A1023 F1024 F1025 K1031	A1023-V1027 VanDerWaalsContact O-CG2 3.29Å; A1023-V1027 WeakPolarHBondContact O-CG2 3.4Å; A1023-V1027 PolarHBondContact O-N 2.87Å; A1023-V1027 VanDerWaalsContact O-N 3.14Å; F1024-V1027 PolarHBondContact O-N 2.99Å; F1025-V1027 VanDerWaalsContact C-N 3.32Å; F1025-V1027 PolarHBondContact O-N 2.97Å; V1027-K1031 PolarHBondContact O-N 3.21Å
1028	Q	63.7	Low	58.5	Low	101 Å²	101	121.3 Å²	121.3	47%	0.472	62%	0.621	S	S	.	*	H	α-helix	trans	-67.3	-40.9	175.8	-76.9	-73.6	-3.9	0	0	112.1	F1024 F1025 K1031 A1032	F1024-Q1028 HydrophobicContact CD1-CG 4.45Å; F1024-Q1028 HydrophobicContact CE1-CG 4.16Å; F1024-Q1028 PolarHBondContact O-N 3.36Å; F1024-Q1028 VanDerWaalsContact O-N 3.16Å; F1025-Q1028 PolarHBondContact O-N 3.22Å; Q1028-K1031 PolarHBondContact O-N 3.26Å; Q1028-A1032 PolarHBondContact O-N 2.99Å; Q1028-A1032 VanDerWaalsContact O-N 3.11Å
1029	I	65.9	Low	57.1	Low	98 Å²	98	130.6 Å²	130.6	50%	0.503	64%	0.644	S	S	.	*	H	α-helix	trans	-67.6	-37.2	178.3	-66.9	168.5	0	0	0	111.2	F1025 V1026 A1032 K1033	F1025-I1029 WeakPolarHBondContact O-CG1 3.34Å; F1025-I1029 PolarHBondContact O-N 3.04Å; V1026-I1029 PolarHBondContact O-N 3.3Å; I1029-A1032 PolarHBondContact O-N 3.47Å; I1029-K1033 PolarHBondContact O-N 2.59Å
1030	N	57.7	Low	56	Low	101 Å²	101	134.6 Å²	134.6	54%	0.54	66%	0.659	S	S	.	*	H	α-helix	trans	-72.7	-29.1	174.9	-84.3	-18.7	0	0	0	113.6	V1026 A1032 S1034	V1026-N1030 PolarHBondContact O-N 3.19Å; N1030-A1032 VanDerWaalsContact C-N 3.33Å; N1030-S1034 PolarHBondContact O-OG 3.28Å
1031	K	51.2	Low	54.6	Low	142 Å²	142	135.9 Å²	135.9	62%	0.617	67%	0.669	S	S	*	*	H	α-helix	trans	-70.9	-26.7	171.1	-95.5	-177.9	173.1	175.5	0	113.4	V1027 Q1028	V1027-K1031 PolarHBondContact O-N 3.21Å; Q1028-K1031 PolarHBondContact O-N 3.26Å
1032	A	51.6	Low	52.7	Low	82 Å²	82	143.8 Å²	143.8	68%	0.678	69%	0.69	S	S	*	*	H	α-helix	trans	-76.2	-25	177.1	0	0	0	0	0	113.2	Q1028 I1029 N1030	Q1028-A1032 PolarHBondContact O-N 2.99Å; Q1028-A1032 VanDerWaalsContact O-N 3.11Å; I1029-A1032 PolarHBondContact O-N 3.47Å; N1030-A1032 VanDerWaalsContact C-N 3.33Å
1033	K	45.3	Very low	51.3	Low	177 Å²	177	145.4 Å²	145.4	77%	0.77	70%	0.703	S	S	*	*	S	Bend	trans	-85.3	-8.7	-179.6	-76.5	-176.6	175.9	179	0	115.1	I1029	I1029-K1033 PolarHBondContact O-N 2.59Å
1034	S	47.7	Very low	49.6	Very low	88 Å²	88	152.4 Å²	152.4	62%	0.615	72%	0.723	S	S	*	*			trans	-119.2	44.3	-172.9	56.8	0	0	0	0	114.6	N1030	N1030-S1034 PolarHBondContact O-OG 3.28Å
1035	R	41.5	Very low	47.6	Very low	227 Å²	227	157.4 Å²	157.4	86%	0.857	74%	0.738	S	S	*	*			trans	-115.6	124.9	166.6	-76.6	-171.7	172.7	-169.3	-1.4	112.1
1036	P	39.7	Very low	46.5	Very low	126 Å²	126	156.7 Å²	156.7	82%	0.818	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-74.3	139.7	176.6	28	-30.9	0	0	0	112.1	R1038	P1036-R1038 PolarHBondContact O-N 3.35Å
1037	K	40.2	Very low	44.5	Very low	215 Å²	215	162.6 Å²	162.6	94%	0.935	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-63.7	118.3	178.4	-74.3	177	176	174.6	0	111.3
1038	R	38.8	Very low	42.6	Very low	248 Å²	248	166 Å²	166	94%	0.936	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-99.3	132.2	167.3	-111.9	-179.6	175.8	-177.6	-1.4	110.9	P1036	P1036-R1038 PolarHBondContact O-N 3.35Å
1039	R	35	Very low	41	Very low	248 Å²	248	168.5 Å²	168.5	94%	0.936	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-67.6	144.2	-175.8	-77.3	175.1	167.1	174.5	-4.5	112.8
1040	K	37.1	Very low	39.3	Very low	201 Å²	201	171.7 Å²	171.7	87%	0.874	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-72.4	141.2	173.8	-67.5	179.7	175.6	-178.9	0	111.9
1041	P	39.4	Very low	38.1	Very low	127 Å²	127	174.8 Å²	174.8	83%	0.825	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-85.1	143	159.3	22.2	-10.7	0	0	0	111.7
1042	R	31.3	Very low	37	Very low	252 Å²	252	174.7 Å²	174.7	95%	0.951	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-77.6	139	-178.5	-92.6	175.6	163.6	166.3	-6.3	111.8
1043	V	37.8	Very low	36	Very low	136 Å²	136	179.5 Å²	179.5	82%	0.824	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-73	136.6	165.4	176	0	0	0	0	109.6
1044	K	31.4	Very low	35.9	Very low	205 Å²	205	176.1 Å²	176.1	89%	0.891	84%	0.836	S	S	*	*			trans	-118.7	131.5	160.4	-89.1	-171.2	174.3	-175.3	0	109.6
1045	R	30.8	Very low	35.6	Very low	237 Å²	237	178.1 Å²	178.1	89%	0.894	85%	0.847	S	S	*	*			trans	-77.8	163.5	177.1	-101.1	179.2	173.1	176.5	-3.3	111.9
1046	P	45.3	Very low	35.3	Very low	116 Å²	116	177 Å²	177	75%	0.753	85%	0.848	S	S	*	*			trans	-91.6	150.9	-179.6	36.5	-31	0	0	0	112.8
1047	Q	30.9	Very low	35.3	Very low	204 Å²	204	177.4 Å²	177.4	95%	0.953	85%	0.849	S	S	*	*			trans	-145.7	153	161	-84.9	-171.2	-29	0	0	112.1
1048	L	32.3	Very low	35.8	Very low	155 Å²	155	173 Å²	173	81%	0.812	84%	0.842	S	S	*	*			trans	-77.6	159	-163.9	-123.7	79.5	0	0	0	116.4
1049	M	30.8	Very low	35.8	Very low	154 Å²	154	166.8 Å²	166.8	76%	0.759	84%	0.836	S	S	*	*			trans	59.7	148.6	152.7	-62.6	-172.1	95.6	0	0	117.8
1050	Q	28.8	Very low	35.7	Very low	164 Å²	164	165.2 Å²	165.2	77%	0.766	85%	0.854	S	S	*	*			cis	-167.4	171	34.6	-150.7	164.2	-0.6	0	0	110.5
1051	Q	32.8	Very low	35.6	Very low	167 Å²	167	163.5 Å²	163.5	78%	0.78	85%	0.853	S	S	*	*			trans	-47.1	159.6	-176	-65	161.2	-50.3	0	0	118.7
1052	V	29	Very low	35.4	Very low	140 Å²	140	165.4 Å²	165.4	85%	0.848	86%	0.855	S	S	*	*				170.7	133.3	115.4	167.5	0	0	0	0	113.5
1053	H	30.5	Very low	35.6	Very low	183 Å²	183	160.6 Å²	160.6	85%	0.847	85%	0.849	S	S	*	*			trans	-8.1	169.7	161.3	-81.9	-30.1	0	0	0	127.3
1054	P	42	Very low	35.5	Very low	106 Å²	106	162 Å²	162	69%	0.688	85%	0.851	S	S	*	*			trans	-101.5	174.1	-154.2	41.8	-34.4	0	0	0	114.9
1055	P	42.3	Very low	35.8	Very low	129 Å²	129	159.3 Å²	159.3	84%	0.838	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-97.3	136.7	175.5	34.5	-27.2	0	0	0	113.8
1056	K	35.1	Very low	36.1	Very low	204 Å²	204	154.1 Å²	154.1	89%	0.887	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-83.5	149.2	167	-77.1	179	174	179.5	0	111.2
1057	T	39.3	Very low	35.4	Very low	134 Å²	134	156.9 Å²	156.9	82%	0.822	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-60.3	158.4	162.9	45.7	0	0	0	0	113.6
1058	P	50.4	Low	35.8	Very low	124 Å²	124	153.2 Å²	153.2	81%	0.805	84%	0.844	S	S	*	*			trans	-106.7	146.6	153.9	34.5	-23	0	0	0	112.1
1059	S	39.4	Very low	36.1	Very low	116 Å²	116	153.1 Å²	153.1	81%	0.811	85%	0.847	S	S	*	*			trans	-76.3	134.6	174.2	49.6	0	0	0	0	113.1
1060	V	32.4	Very low	36.5	Very low	216 Å²	216	153 Å²	153	100%	1.309	86%	0.855	S	S	*	*				-144.9	0	111.2	173.3	0	0	0	0	106.8

Retrieved 1,060 of 1,060 residues in 311.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).