A0A0D9RMB9_CHLSB Loading...

F-box only protein 11

AlphaFold DB , UniProt , Accession A0A0D9RMB9, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene FBXO11, Length 925 aa.

						>A0A0D9RMB9_CHLSB|A0A0D9RMB9|FBXO11
MNSVRAANRRPRRVSRPRPVQQQQQQPPQQPPPQPPQQQPPQQQPPPPPQQQQQPPPPPPPPPPLPQERNNVGERDDDVPADMVAEESGPGAQNSPYQLRRKTLLPKRTACPTKNSMEGASTSTTENFGHRAKRARVSGKSQDLSAAPAEQYLQEKLPDEVVLKIFSYLLEQDLCRAACVCKRFSELANDPILWKRLYMEVFEYTRPMMHPEPGKFYQINPEEYEHPNPWKESFQQLYKGAHVKPGFAEHFYSNPARYKGRENMLYYDTIEDALGGVQEAHFDGLIFVHSGIYTDEWIYIESPITMIGAAPGKVADKVIIENTRDSTFVFMEGSEDAYVGYMTIRFNPDDKSAQHHNAHHCLEITVNCSPIIDHCIIRSTCTVGSAVCVSGQGACPTIKHCNISDCENVGLYITDHAQGIYEDNEISNNALAGIWVKNHGNPIIRRNHIHHGRDVGVFTFDHGMGYFESCNIHRNRIAGFEVKAYANPTVVRCEIHHGQTGGIYVHEKGRGQFIENKIYANNFAGVWITSNSDPTIRGNSIFNGNQGGVYIFGDGRGLIEGNDIYGNALAGIQIRTNSCPIVRHNKIHDGQHGGIYVHEKGQGVIEENEVYSNTLAGVWVTTGSTPVLRRNRIHSGKQVGVYFYDNGHGVLEDNDIYNHMYSGVQIRTGSNPKIRRNKIWGGQNGGILVYNSGLGCIEDNEIFDNAMAGVWIKTDSNPTLRRNKIHDGRDGGICIFNGGRGLLEENDIFRNAQAGVLISTNSHPILRKNRIFDGFAAGIEITNHATATLEGNQIFNNRFGGLFLASGVNVTMKDNKIMNNQDAIEKAVSRGQCLYKISSYTSYPMHDFYRCHTCNTTDRNAICVNCIKKCHQGHDVEFIRHDRFFCDCGAGTLSNPCTLAGEPTHDTDTLYDSAPPIESNTLQHN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.5	Very low	34.6	Very low	247 Å²	247	163.7 Å²	163.7	100%	1.217	86%	0.858	S	S	*	*				0	172.1	0	-83.4	177.3	168.1	0	0	109.5
2	N	29.6	Very low	34.7	Very low	156 Å²	156	169.5 Å²	169.5	83%	0.834	86%	0.86	S	S	*	*			trans	-61.4	163.7	175.3	-70.2	-23.6	0	0	0	112.8
3	S	35.6	Very low	34.4	Very low	99 Å²	99	175 Å²	175	69%	0.692	86%	0.864	S	S	*	*			cis	177.8	170.1	-18.8	57.4	0	0	0	0	109.4
4	V	35.3	Very low	34.3	Very low	132 Å²	132	171.9 Å²	171.9	80%	0.8	86%	0.859	S	S	*	*			trans	138.6	146.9	141.8	163	0	0	0	0	112.8
5	R	39	Very low	34	Very low	230 Å²	230	166.7 Å²	166.7	87%	0.868	85%	0.846	S	S	*	*			cis	-179.2	114.4	-37.7	-167.3	-169.5	-141.6	175.1	7.5	109
6	A	30.7	Very low	33.7	Very low	106 Å²	106	171.4 Å²	171.4	88%	0.876	85%	0.85	S	S	*	*			trans	-160.3	156.9	160.4	0	0	0	0	0	111.8
7	A	36.2	Very low	34.1	Very low	91 Å²	91	168.2 Å²	168.2	75%	0.752	85%	0.845	S	S	*	*			trans	-161.7	154.6	-139.2	0	0	0	0	0	113.3
8	N	29	Very low	34	Very low	168 Å²	168	171.2 Å²	171.2	90%	0.898	84%	0.844	S	S	*	*			trans	-151.5	163.8	155.1	-123.9	-33.1	0	0	0	112.6
9	R	33.1	Very low	34.2	Very low	221 Å²	221	168.7 Å²	168.7	83%	0.834	84%	0.842	S	S	*	*			trans	-144.5	124.9	-157.5	-94.2	-176.5	169	-168.5	0.2	116.7
10	R	32.9	Very low	34	Very low	224 Å²	224	165.6 Å²	165.6	85%	0.845	83%	0.832	S	S	*	*			trans	67.9	168.5	135.6	-94	-179.8	-171	-160.3	3.6	117.6
11	P	47.1	Very low	34	Very low	127 Å²	127	167.2 Å²	167.2	83%	0.825	84%	0.837	S	S	*	*			cis	-133.3	-168.2	34.8	40	-19.3	0	0	0	118.6
12	R	35.3	Very low	34.1	Very low	233 Å²	233	164.3 Å²	164.3	88%	0.879	82%	0.82	S	S	*	*			trans	-140.6	147	-178.3	-90.4	-173.5	171.1	-170.9	-1.5	111
13	R	30.9	Very low	34.2	Very low	241 Å²	241	165.9 Å²	165.9	91%	0.909	82%	0.823	S	S	*	*			trans	-167.9	152.6	151.5	-95.1	171.8	-176.2	-164.7	-0.4	106.8
14	V	32.5	Very low	34.1	Very low	131 Å²	131	170.8 Å²	170.8	79%	0.794	84%	0.835	S	S	*	*			cis	107.2	124.3	13.1	167.2	0	0	0	0	113.1
15	S	30.2	Very low	34	Very low	95 Å²	95	173.3 Å²	173.3	66%	0.664	84%	0.838	S	S	*	*			cis	-174.6	152	-18.3	59.4	0	0	0	0	113.7
16	R	30.1	Very low	33.8	Very low	241 Å²	241	171.4 Å²	171.4	91%	0.909	84%	0.839	S	S	*	*			trans	66	163	163.3	-77.1	-175.1	175.6	-170.5	0.1	118
17	P	39.8	Very low	34.2	Very low	117 Å²	117	171.7 Å²	171.7	76%	0.76	83%	0.832	S	S	*	*			cis	-135	176.7	-20.6	37.4	-18.2	0	0	0	117.1
18	R	33	Very low	34.2	Very low	223 Å²	223	173.5 Å²	173.5	84%	0.842	84%	0.836	S	S	*	*			trans	9.2	144.7	157.5	-70.9	-173	176	-171.1	-0.9	122.6
19	P	36.7	Very low	34.7	Very low	124 Å²	124	174.6 Å²	174.6	81%	0.805	84%	0.835	S	S	*	*				-120.3	151.5	85.8	36.3	-33.2	0	0	0	112.6
20	V	31.2	Very low	34.9	Very low	105 Å²	105	172.9 Å²	172.9	64%	0.636	84%	0.837	S	S	*	*				75.1	101.9	53.8	-175.9	0	0	0	0	114.7
21	Q	34.1	Very low	35.6	Very low	201 Å²	201	168 Å²	168	94%	0.939	83%	0.834	S	S	*	*			trans	-132.5	160	146.8	-83.5	-168.9	-12.1	0	0	108.6
22	Q	33.6	Very low	35.4	Very low	185 Å²	185	167.5 Å²	167.5	86%	0.864	83%	0.831	S	S	*	*			trans	-104.5	142.1	-161.1	-66	170.5	-17	0	0	113.3
23	Q	31.7	Very low	35.5	Very low	190 Å²	190	162.5 Å²	162.5	89%	0.888	83%	0.829	S	S	*	*			trans	-92.9	140.8	158.2	-70.8	174.4	-34	0	0	108.9
24	Q	33.9	Very low	35.8	Very low	202 Å²	202	159.7 Å²	159.7	94%	0.944	83%	0.826	S	S	*	*			trans	-82.7	150.1	166.1	-71.9	-176.4	-12.1	0	0	110.4
25	Q	33.9	Very low	36.2	Very low	184 Å²	184	158.9 Å²	158.9	86%	0.86	82%	0.823	S	S	*	*			trans	-106.1	148.8	-173.8	-62.9	174.9	-12.9	0	0	111.6
26	Q	33.3	Very low	36.5	Very low	191 Å²	191	160.1 Å²	160.1	89%	0.893	83%	0.829	S	S	*	*			trans	-137.6	156.7	153.2	-81.5	-157.3	-3.1	0	0	109.8
27	P	39.1	Very low	36.8	Very low	111 Å²	111	157.8 Å²	157.8	72%	0.721	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-84.8	160.8	-152.2	32.2	-36.7	0	0	0	115.4
28	P	36.8	Very low	36.6	Very low	130 Å²	130	161.2 Å²	161.2	84%	0.844	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-74.6	142.1	-177.2	30.5	-35.8	0	0	0	113.5
29	Q	39.1	Very low	36.8	Very low	190 Å²	190	159.1 Å²	159.1	89%	0.888	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-94.9	158	168	-67.7	-177.4	-10.9	0	0	111.2
30	Q	38.4	Very low	36.7	Very low	186 Å²	186	159 Å²	159	87%	0.869	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-77.9	147.3	-176.7	-66.6	174.6	-24.3	0	0	112.5
31	P	46.1	Very low	36.9	Very low	120 Å²	120	159.9 Å²	159.9	78%	0.779	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-77.2	144.3	173.3	31.8	-34.3	0	0	0	112.4
32	P	44.1	Very low	37	Very low	118 Å²	118	159.4 Å²	159.4	77%	0.766	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-70.9	163.9	173.1	29.5	-34.3	0	0	0	113
33	P	37.4	Very low	37.1	Very low	128 Å²	128	160 Å²	160	83%	0.831	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-78.5	161.2	-162.4	30.9	-37.4	0	0	0	115.9
34	Q	36.5	Very low	37.4	Very low	181 Å²	181	159.5 Å²	159.5	85%	0.846	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-78.1	144.9	176.1	-66.7	178.4	-22.3	0	0	112.7
35	P	40.8	Very low	37.7	Very low	114 Å²	114	155.6 Å²	155.6	74%	0.74	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-70.5	158.9	164.2	31.3	-34.2	0	0	0	111.7
36	P	37.7	Very low	38	Very low	122 Å²	122	152.6 Å²	152.6	79%	0.792	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-73.1	151.2	-166.7	28.5	-36.2	0	0	0	114.6
37	Q	35	Very low	38.3	Very low	192 Å²	192	149 Å²	149	90%	0.897	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-67.1	127.9	174.2	-64.6	174.8	-9.9	0	0	111.3
38	Q	35.4	Very low	38.3	Very low	189 Å²	189	149 Å²	149	88%	0.883	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-94	146.9	163.8	-69.9	-174.4	-10.9	0	0	110.2
39	Q	37.3	Very low	38.4	Very low	179 Å²	179	148.9 Å²	148.9	84%	0.836	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-70.6	148.9	-179.7	-67.6	173.4	-20.5	0	0	111.3
40	P	35.9	Very low	38.2	Very low	121 Å²	121	148.9 Å²	148.9	79%	0.786	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-68	126.7	174.8	28	-33.6	0	0	0	110.6
41	P	35.7	Very low	38.1	Very low	124 Å²	124	148.8 Å²	148.8	81%	0.805	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-69.7	156.2	174.6	29	-34.1	0	0	0	111.7
42	Q	36.2	Very low	37.8	Very low	190 Å²	190	152.2 Å²	152.2	89%	0.888	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-68.7	148.8	-176	-66.5	168.8	-17.3	0	0	112.3	Q44	Q42-Q44 PolarHBondContact O-N 3.36Å
43	Q	34.4	Very low	37.3	Very low	198 Å²	198	155.7 Å²	155.7	93%	0.925	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-69.2	120.1	175.6	-67.6	177.2	-10.2	0	0	110.9
44	Q	38.8	Very low	37.3	Very low	180 Å²	180	158 Å²	158	84%	0.841	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-86.5	149.2	159.7	-70.9	-175.9	-13.7	0	0	109.7	Q42	Q42-Q44 PolarHBondContact O-N 3.36Å
45	P	38.9	Very low	37.2	Very low	119 Å²	119	155 Å²	155	77%	0.773	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-67.2	152.7	177.6	29	-35.2	0	0	0	111.6
46	P	40	Very low	37.1	Very low	121 Å²	121	155 Å²	155	79%	0.786	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-69.4	148.9	-178.4	29.3	-35.5	0	0	0	112.3
47	P	39.9	Very low	37.3	Very low	115 Å²	115	154.6 Å²	154.6	75%	0.747	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-68.8	157.4	172.2	30.7	-35.4	0	0	0	111.7
48	P	40.7	Very low	37.3	Very low	113 Å²	113	150.9 Å²	150.9	73%	0.734	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-64.7	153.3	175.7	28.4	-35.3	0	0	0	111.9	Q50	P48-Q50 PolarHBondContact O-N 2.92Å
49	P	37.5	Very low	37.6	Very low	127 Å²	127	147.5 Å²	147.5	83%	0.825	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-66.1	129.8	-175.9	26.8	-34.6	0	0	0	112
50	Q	36.3	Very low	37.7	Very low	190 Å²	190	144.6 Å²	144.6	89%	0.888	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-68.8	132.7	171.3	-69.8	178	-22.3	0	0	110.3	P48	P48-Q50 PolarHBondContact O-N 2.92Å
51	Q	36.1	Very low	37.8	Very low	183 Å²	183	144.2 Å²	144.2	86%	0.855	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-70	137.6	171.7	-68.2	176.9	-12.8	0	0	109.9	Q53	Q51-Q53 PolarHBondContact O-N 2.98Å; Q51-Q53 VanDerWaalsContact O-N 3.15Å
52	Q	38.1	Very low	37.9	Very low	192 Å²	192	143.8 Å²	143.8	90%	0.897	80%	0.804	S	S	*	*			trans	-67.8	110.1	170.9	-69.7	176.3	-15.3	0	0	109.1	Q54	Q52-Q54 PolarHBondContact O-N 2.84Å
53	Q	34.5	Very low	37.9	Very low	191 Å²	191	140.2 Å²	140.2	89%	0.893	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-71.3	127.1	168.8	-70.8	-176.1	-12.8	0	0	109.2	Q51	Q51-Q53 PolarHBondContact O-N 2.98Å; Q51-Q53 VanDerWaalsContact O-N 3.15Å
54	Q	37.3	Very low	37.8	Very low	177 Å²	177	136.7 Å²	136.7	83%	0.827	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-71.7	154	174.1	-68.4	176.1	-16.9	0	0	110.2	Q52	Q52-Q54 PolarHBondContact O-N 2.84Å
55	P	35.6	Very low	37.8	Very low	117 Å²	117	135.8 Å²	135.8	76%	0.76	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-60.4	146.2	169.2	27.7	-34.9	0	0	0	110.4
56	P	37.6	Very low	37.4	Very low	114 Å²	114	135.9 Å²	135.9	74%	0.74	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-66.3	149	-179.2	28	-35	0	0	0	111.7
57	P	41.3	Very low	36.9	Very low	115 Å²	115	138.5 Å²	138.5	75%	0.747	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-68.6	158.2	174	30.7	-35.6	0	0	0	111.6
58	P	35.7	Very low	36.3	Very low	114 Å²	114	142.3 Å²	142.3	74%	0.74	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-63.8	153.3	173.3	28.6	-35.5	0	0	0	111.6
59	P	40.9	Very low	35.8	Very low	118 Å²	118	148 Å²	148	77%	0.766	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-66.5	150.5	-179.5	28.3	-35.3	0	0	0	112.2
60	P	40.4	Very low	35.5	Very low	117 Å²	117	149.6 Å²	149.6	76%	0.76	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-68.9	157.1	175.3	30.6	-35.6	0	0	0	111.8
61	P	37.2	Very low	35.1	Very low	113 Å²	113	148.5 Å²	148.5	73%	0.734	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-64	153.7	173.1	28.9	-35.4	0	0	0	111.5
62	P	38	Very low	34.8	Very low	116 Å²	116	146.8 Å²	146.8	75%	0.753	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-64.3	150.5	179.5	27.6	-35.2	0	0	0	112
63	P	36.3	Very low	34.3	Very low	115 Å²	115	141.2 Å²	141.2	75%	0.747	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-66.1	150.8	177.3	29.1	-35.2	0	0	0	111.4
64	P	33.2	Very low	34	Very low	124 Å²	124	139 Å²	139	81%	0.805	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-65.1	146.2	176.2	28.4	-34.9	0	0	0	111.5
65	L	37.1	Very low	33.6	Very low	161 Å²	161	139.9 Å²	139.9	84%	0.843	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-58.7	142.6	175.8	-69.9	165.9	0	0	0	111.1	Q67	L65-Q67 PolarHBondContact O-N 3.13Å
66	P	30.7	Very low	33.2	Very low	121 Å²	121	140.3 Å²	140.3	79%	0.786	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-58.6	136.2	174.1	-23.1	34	0	0	0	111.8	E68	P66-E68 PolarHBondContact O-N 3.16Å
67	Q	30.4	Very low	32.7	Very low	175 Å²	175	141.5 Å²	141.5	82%	0.818	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-72.3	123.4	171.1	-68	177	-22	0	0	109.6	L65 R69	L65-Q67 PolarHBondContact O-N 3.13Å; Q67-R69 PolarHBondContact O-N 2.77Å
68	E	28.3	Very low	32	Very low	196 Å²	196	143.4 Å²	143.4	92%	0.916	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-61.5	120	165.9	-68.6	-171.4	141.8	0	0	109.5	P66	P66-E68 PolarHBondContact O-N 3.16Å
69	R	29.3	Very low	31.7	Very low	231 Å²	231	144.6 Å²	144.6	87%	0.872	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-100	116.1	165.5	-80.5	-170.2	169.6	-146.7	-1.8	108.7	Q67 N71	Q67-R69 PolarHBondContact O-N 2.77Å; R69-N71 PolarHBondContact O-N 3.34Å
70	N	31.5	Very low	31.1	Very low	162 Å²	162	144.7 Å²	144.7	87%	0.866	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-48.5	133.2	163	-71.5	-35.3	0	0	0	110.4
71	N	28.1	Very low	30.5	Very low	167 Å²	167	143.3 Å²	143.3	89%	0.893	80%	0.795	S	S	*	*			trans	-150.6	145	148.1	-119.5	-7.8	0	0	0	110.4	R69	R69-N71 PolarHBondContact O-N 3.34Å
72	V	28.3	Very low	30.1	Very low	147 Å²	147	144.6 Å²	144.6	89%	0.891	80%	0.795	S	S	*	*			trans	-89.8	138	-175.2	179.2	0	0	0	0	109.5
73	G	28.1	Very low	29.5	Very low	74 Å²	74	146.8 Å²	146.8	76%	0.763	80%	0.798	S	S	*	*			trans	-168.9	86.6	-177.2	0	0	0	0	0	113.4
74	E	29.2	Very low	29.2	Very low	144 Å²	144	147.3 Å²	147.3	67%	0.673	80%	0.799	S	S	*	*			trans	-28.2	152.1	166.9	-76.9	179.8	-174.7	0	0	119.9
75	R	28.1	Very low	29	Very low	197 Å²	197	145 Å²	145	74%	0.743	79%	0.79	S	S	*	*			trans	75.2	147.9	153	-69.4	179.9	-105.2	-172.1	-6	118
76	D	26.7	Very low	28.5	Very low	125 Å²	125	146.2 Å²	146.2	67%	0.668	79%	0.791	S	S	*	*			cis	-157.4	176.6	-8	-106.2	-23.7	0	0	0	110.3
77	D	27.6	Very low	28.3	Very low	140 Å²	140	148.7 Å²	148.7	75%	0.749	79%	0.792	S	S	*	*			trans	74.1	118.6	157.6	-57.1	-23.1	0	0	0	123.3
78	D	27.2	Very low	28.2	Very low	155 Å²	155	146.2 Å²	146.2	83%	0.829	79%	0.794	S	S	*	*			trans	67.1	114.4	136.8	-66.1	-8.6	0	0	0	125.2
79	V	29.1	Very low	27.9	Very low	138 Å²	138	140.1 Å²	140.1	84%	0.836	78%	0.784	S	S	*	*			trans	-110.1	142.5	158.9	170	0	0	0	0	107.2
80	P	29.4	Very low	28.5	Very low	121 Å²	121	135.8 Å²	135.8	79%	0.786	79%	0.786	S	S	*	*			trans	-82.5	150.2	-156.3	31.4	-38	0	0	0	116.9
81	A	27.7	Very low	28.2	Very low	87 Å²	87	131.6 Å²	131.6	72%	0.719	78%	0.781	S	S	*	*			trans	-83.8	156.2	149.9	0	0	0	0	0	109.1
82	D	27.8	Very low	28.1	Very low	140 Å²	140	128.8 Å²	128.8	75%	0.749	78%	0.781	S	S	*	*			cis	-159.2	163.2	46.8	-111.7	-30.5	0	0	0	107.8
83	M	26.1	Very low	28	Very low	162 Å²	162	130.3 Å²	130.3	80%	0.798	78%	0.779	S	S	*	*			cis	-138.9	140.3	15	-61	-174.8	99.8	0	0	107.9
84	V	29.2	Very low	27.9	Very low	127 Å²	127	134.8 Å²	134.8	77%	0.77	79%	0.785	S	S	*	*				54.7	125.4	81.7	-178.4	0	0	0	0	112.9
85	A	28.6	Very low	27.9	Very low	76 Å²	76	132.8 Å²	132.8	63%	0.628	79%	0.787	S	S	*	*			cis	-128.8	-159.7	12.8	0	0	0	0	0	111.2
86	E	27.2	Very low	28.1	Very low	185 Å²	185	128.9 Å²	128.9	86%	0.864	79%	0.787	S	S	*	*			cis	-154.8	-143.5	10.4	-152.5	142.1	-99.7	0	0	112.7
87	E	25.7	Very low	27.9	Very low	173 Å²	173	133 Å²	133	81%	0.808	80%	0.795	S	S	*	*			trans	-105.5	157.8	-158.8	-63.8	-168.8	135.9	0	0	119.4
88	S	28.3	Very low	27.8	Very low	123 Å²	123	135.5 Å²	135.5	86%	0.86	80%	0.802	S	S	*	*			trans	90.1	139	138.2	78	0	0	0	0	122.7
89	G	22.6	Very low	27.7	Very low	68 Å²	68	135 Å²	135	70%	0.701	80%	0.799	S	S	*	*			trans	-145.3	-149.6	161.3	0	0	0	0	0	107.6
90	P	42.7	Very low	27.5	Very low	140 Å²	140	139.9 Å²	139.9	91%	0.909	80%	0.802	S	S	*	*			cis	-134.9	-174.1	-13.1	42.5	-26.8	0	0	0	113.4
91	G	25.3	Very low	27.4	Very low	74 Å²	74	145.5 Å²	145.5	76%	0.763	81%	0.808	S	S	*	*			trans	128.4	164.5	136.2	0	0	0	0	0	121.7
92	A	25.8	Very low	27.2	Very low	109 Å²	109	151.3 Å²	151.3	90%	0.901	82%	0.817	S	S	*	*			trans	74.2	122.7	162.3	0	0	0	0	0	121.4
93	Q	25.5	Very low	27.2	Very low	178 Å²	178	150.6 Å²	150.6	83%	0.832	82%	0.817	S	S	*	*			trans	-105.3	142.4	159.3	-64.4	174.2	-26.8	0	0	109.8
94	N	27.2	Very low	27.2	Very low	169 Å²	169	151 Å²	151	90%	0.904	82%	0.822	S	S	*	*				178.1	160.8	124.2	-97.7	-50.8	0	0	0	114.1
95	S	29.2	Very low	27.3	Very low	101 Å²	101	152.8 Å²	152.8	71%	0.706	83%	0.826	S	S	*	*			trans	-97	164.7	-175.7	-165.3	0	0	0	0	112.7
96	P	30.7	Very low	27.4	Very low	116 Å²	116	154.8 Å²	154.8	75%	0.753	83%	0.833	S	S	*	*				-148.9	145.1	97.3	37	-19.7	0	0	0	117.7
97	Y	23.8	Very low	27.4	Very low	212 Å²	212	155.9 Å²	155.9	83%	0.831	84%	0.835	S	S	*	*			trans	21.4	125.3	147.2	-78.8	-95.5	0	0	0	121.8
98	Q	25.5	Very low	27.4	Very low	191 Å²	191	159.5 Å²	159.5	89%	0.893	84%	0.841	S	S	*	*				-162.8	165.7	112.4	-112.7	-173.8	65.1	0	0	116.9
99	L	24.3	Very low	27.4	Very low	146 Å²	146	160.7 Å²	160.7	76%	0.764	84%	0.843	S	S	*	*			trans	-79	163.7	-157.8	-74.5	152.5	0	0	0	119
100	R	25.1	Very low	27.6	Very low	239 Å²	239	162.3 Å²	162.3	90%	0.902	85%	0.85	S	S	*	*			trans	91.6	123	139.9	-98.3	177.4	176.1	174	0.1	121.5
101	R	26.2	Very low	26.8	Very low	239 Å²	239	161.8 Å²	161.8	90%	0.902	85%	0.848	S	S	*	*			trans	-61.6	151.3	160.4	-59.2	172.9	175.8	171.3	-3.8	112.3
102	K	25	Very low	27.3	Very low	210 Å²	210	163.6 Å²	163.6	91%	0.913	85%	0.846	S	S	*	*			trans	-157.7	134.8	137.6	-120.7	177.3	-177.1	-176.8	0	112.7
103	T	26.3	Very low	27.4	Very low	124 Å²	124	164.2 Å²	164.2	76%	0.761	84%	0.839	S	S	*	*			trans	-104.2	140.3	-180	-38.6	0	0	0	0	110
104	L	27.5	Very low	27.6	Very low	172 Å²	172	164.8 Å²	164.8	90%	0.901	84%	0.839	S	S	*	*			trans	-144.2	136	164.4	-80	-179.4	0	0	0	111.9
105	L	30.2	Very low	27.5	Very low	163 Å²	163	163.5 Å²	163.5	85%	0.853	83%	0.832	S	S	*	*			trans	-119.1	155.6	170.3	-78.3	164.8	0	0	0	109
106	P	31.9	Very low	27.4	Very low	118 Å²	118	163 Å²	163	77%	0.766	83%	0.829	S	S	*	*			trans	-132.8	113.2	153.9	31.1	-14.4	0	0	0	114.6
107	K	26.2	Very low	27.1	Very low	209 Å²	209	165 Å²	165	91%	0.909	83%	0.83	S	S	*	*			trans	47	129.8	137.7	-60.9	-179	177.3	-179.9	0	121.4
108	R	26.6	Very low	27.3	Very low	249 Å²	249	162.9 Å²	162.9	94%	0.94	83%	0.827	S	S	*	*			trans	-91.8	162.6	158.2	-78.4	-179	167.6	178	-4.3	112.2
109	T	27	Very low	27.3	Very low	148 Å²	148	157.2 Å²	157.2	91%	0.908	82%	0.821	S	S	*	*			trans	-109.7	176.2	172.3	43.7	0	0	0	0	112.1
110	A	27	Very low	27.4	Very low	101 Å²	101	154.6 Å²	154.6	84%	0.835	82%	0.82	S	S	*	*			trans	-111.6	170	-165.3	0	0	0	0	0	115.5
111	C	26.1	Very low	27.6	Very low	129 Å²	129	148.8 Å²	148.8	87%	0.872	82%	0.816	S	S	*	*			trans	-94.8	172.5	-171.4	-42.5	0	0	0	0	114.9
112	P	35.9	Very low	27.7	Very low	112 Å²	112	143.1 Å²	143.1	73%	0.727	81%	0.808	S	S	*	*			trans	-132.8	125.7	159.4	36.2	-20.6	0	0	0	117.5
113	T	28.1	Very low	28	Very low	123 Å²	123	138.2 Å²	138.2	76%	0.755	80%	0.8	S	S	*	*			trans	64.9	114.6	132.5	61.7	0	0	0	0	126.4
114	K	28.9	Very low	28	Very low	190 Å²	190	138.1 Å²	138.1	83%	0.826	80%	0.8	S	S	*	*				79.3	135.7	116.8	-74.8	-167.3	171.2	-171	0	125.7
115	N	26	Very low	28	Very low	141 Å²	141	135.6 Å²	135.6	75%	0.754	79%	0.791	S	S	*	*			trans	122.8	120.3	149	-72.8	1.6	0	0	0	112.9
116	S	26.1	Very low	27.9	Very low	92 Å²	92	135.5 Å²	135.5	64%	0.643	79%	0.787	S	S	*	*				75.8	133.3	56.2	73.5	0	0	0	0	113.4
117	M	26.2	Very low	27.6	Very low	156 Å²	156	137.4 Å²	137.4	77%	0.768	79%	0.791	S	S	*	*			cis	-171.9	169.5	9.8	-106.9	162.4	78.3	0	0	107.5
118	E	26.5	Very low	27.7	Very low	168 Å²	168	136.8 Å²	136.8	79%	0.785	79%	0.788	S	S	*	*			cis	-172.2	158.1	-7.7	-178.2	153.3	-87.5	0	0	111.6
119	G	26.3	Very low	27.8	Very low	73 Å²	73	128.2 Å²	128.2	75%	0.753	78%	0.777	S	S	*	*			trans	96.9	153.5	158.4	0	0	0	0	0	119.4
120	A	26.5	Very low	28.1	Very low	91 Å²	91	131.1 Å²	131.1	75%	0.752	78%	0.78	S	S	*	*			cis	-165.9	143	-14.7	0	0	0	0	0	113
121	S	29	Very low	28.2	Very low	117 Å²	117	138 Å²	138	82%	0.818	78%	0.784	S	S	*	*			trans	46.3	155	147.6	-47.9	0	0	0	0	122.1
122	T	29	Very low	28.3	Very low	119 Å²	119	135.7 Å²	135.7	73%	0.73	78%	0.775	S	S	*	*			cis	-149.9	142.1	24.3	48.7	0	0	0	0	114.3
123	S	29.7	Very low	28.3	Very low	107 Å²	107	140.6 Å²	140.6	75%	0.748	78%	0.784	S	S	*	*			trans	52.2	144.9	134.1	77	0	0	0	0	121.5
124	T	28.1	Very low	28.3	Very low	123 Å²	123	146.5 Å²	146.5	76%	0.755	79%	0.793	S	S	*	*			cis	-155.9	173.1	20.4	38.2	0	0	0	0	108.1
125	T	27	Very low	28.3	Very low	118 Å²	118	141.5 Å²	141.5	72%	0.724	79%	0.787	S	S	*	*			cis	-172.3	164.8	-7.8	23.9	0	0	0	0	106.6
126	E	27.3	Very low	28.7	Very low	162 Å²	162	146.6 Å²	146.6	76%	0.757	80%	0.796	S	S	*	*			cis	-121.7	-145	-8.7	-68	-158.5	111.6	0	0	109.2
127	N	26.5	Very low	29	Very low	158 Å²	158	148.5 Å²	148.5	85%	0.845	80%	0.803	S	S	*	*			trans	-166.5	132.8	166	-129.3	-42.5	0	0	0	111.7
128	F	28.8	Very low	29.6	Very low	196 Å²	196	146.7 Å²	146.7	86%	0.86	81%	0.806	S	S	*	*			trans	-117	137.4	167.1	-79.8	-99.3	0	0	0	108.9
129	G	28.4	Very low	29.9	Very low	68 Å²	68	141.4 Å²	141.4	70%	0.701	80%	0.797	S	S	*	*			cis	176.1	101.4	-6.1	0	0	0	0	0	110.5	R131	G129-R131 PolarHBondContact O-N 3.38Å
130	H	32.5	Very low	30.4	Very low	209 Å²	209	148 Å²	148	97%	0.968	81%	0.805	S	S	*	*			trans	-65.9	117.3	-175.6	-89.7	-43.9	0	0	0	113
131	R	29.4	Very low	30.7	Very low	245 Å²	245	148.7 Å²	148.7	93%	0.925	80%	0.804	S	S	*	*			trans	-102.5	106.8	176.2	-158.4	173.4	-168.5	-179.1	4.7	113.5	G129	G129-R131 PolarHBondContact O-N 3.38Å
132	A	27.8	Very low	31	Very low	82 Å²	82	151.3 Å²	151.3	68%	0.678	80%	0.803	S	S	*	*			trans	40.1	115.7	153	0	0	0	0	0	120	R134	A132-R134 PolarHBondContact O-N 3.27Å
133	K	35.2	Very low	31.5	Very low	214 Å²	214	153.9 Å²	153.9	93%	0.93	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-56.4	117.1	154.3	-68.5	175.8	178.1	174.3	0	109.5
134	R	29.4	Very low	32	Very low	247 Å²	247	156.3 Å²	156.3	93%	0.932	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-73.9	146.6	166.9	-90.6	-176.1	167.1	177.6	-3.6	110.5	A132	A132-R134 PolarHBondContact O-N 3.27Å
135	A	28.3	Very low	32.8	Very low	85 Å²	85	155.5 Å²	155.5	70%	0.702	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-71.4	152	-177.8	0	0	0	0	0	112.6	V137	A135-V137 PolarHBondContact O-N 2.89Å
136	R	35.5	Very low	33.8	Very low	248 Å²	248	152.7 Å²	152.7	94%	0.936	80%	0.804	S	S	*	*			trans	-64.3	103	161.1	-90.2	-178.3	165.9	174.2	-5.1	108.7	S138	R136-S138 PolarHBondContact O-N 2.77Å
137	V	32.6	Very low	35.1	Very low	132 Å²	132	147.6 Å²	147.6	80%	0.8	79%	0.79	S	S	*	*			trans	-78.5	96.1	166.5	179.2	0	0	0	0	107.6	A135 G139	A135-V137 PolarHBondContact O-N 2.89Å; V137-G139 PolarHBondContact O-N 3.18Å
138	S	38.3	Very low	36.8	Very low	119 Å²	119	145.5 Å²	145.5	83%	0.832	79%	0.785	S	S	*	*			trans	-77.1	57.8	170.6	60.4	0	0	0	0	110.8	R136	R136-S138 PolarHBondContact O-N 2.77Å
139	G	31.6	Very low	38.5	Very low	57 Å²	57	139 Å²	139	59%	0.588	77%	0.768	S	S	*	*			trans	-72.5	124.2	168.4	0	0	0	0	0	108.9	V137 S141	V137-G139 PolarHBondContact O-N 3.18Å; G139-S141 VanDerWaalsContact C-N 3.34Å; G139-S141 PolarHBondContact O-N 3.06Å
140	K	38.5	Very low	40.4	Very low	212 Å²	212	140.1 Å²	140.1	92%	0.922	76%	0.755	S	S	*	*			trans	-69.2	95.5	165.9	-73.8	-173.1	176.4	-174.7	0	108.1
141	S	31.9	Very low	42.1	Very low	105 Å²	105	134.8 Å²	134.8	73%	0.734	73%	0.73	S	S	*	*			trans	-56.9	137.7	153.2	-170.8	0	0	0	0	107.4	G139	G139-S141 VanDerWaalsContact C-N 3.34Å; G139-S141 PolarHBondContact O-N 3.06Å
142	Q	36	Very low	44.3	Very low	172 Å²	172	129 Å²	129	80%	0.804	71%	0.709	S	S	*	*			trans	-68.4	151.6	163.5	-67.6	167.7	-49.9	0	0	108.3	L144	Q142-L144 PolarHBondContact O-N 3.01Å
143	D	39.4	Very low	46.5	Very low	172 Å²	172	128.7 Å²	128.7	92%	0.92	70%	0.695	S	S	*	*			trans	-69.6	80.6	171.4	-69.7	-63	0	0	0	110.1	S145	D143-S145 PolarHBondContact O-N 3.37Å
144	L	40.4	Very low	48.3	Very low	159 Å²	159	121 Å²	121	83%	0.832	66%	0.663	S	S	*	*			trans	-66.9	114	146.5	-75.3	169.4	0	0	0	105.9	Q142 A146	Q142-L144 PolarHBondContact O-N 3.01Å; L144-A146 PolarHBondContact O-N 2.82Å; L144-A146 VanDerWaalsContact O-N 3.13Å
145	S	43.8	Very low	50.5	Low	106 Å²	106	115.3 Å²	115.3	74%	0.741	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-53.2	121.7	174.8	55.6	0	0	0	0	109.2	D143 A147	D143-S145 PolarHBondContact O-N 3.37Å; S145-A147 PolarHBondContact O-N 2.95Å; S145-A147 VanDerWaalsContact O-N 3.16Å
146	A	47.5	Very low	53	Low	58 Å²	58	117.8 Å²	117.8	48%	0.479	64%	0.642	S	S	.	*	P	Polyproline II helix	trans	-47.4	126	171.3	0	0	0	0	0	108.3	L144	L144-A146 PolarHBondContact O-N 2.82Å; L144-A146 VanDerWaalsContact O-N 3.13Å
147	A	55.6	Low	55.4	Low	55 Å²	55	107.2 Å²	107.2	46%	0.455	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-57.3	140.4	-170.4	0	0	0	0	0	108.9	S145 A149 E150	S145-A147 PolarHBondContact O-N 2.95Å; S145-A147 VanDerWaalsContact O-N 3.16Å; A147-A149 CarbonylContact O-C 3.59Å; A147-A149 PolarHBondContact O-N 3.19Å; A147-E150 WeakPolarHBondContact O-CB 3.43Å; A147-E150 PolarHBondContact O-N 2.9Å
148	P	62.4	Low	58.2	Low	115 Å²	115	104.1 Å²	104.1	75%	0.747	59%	0.586	S	S	*	*	H	α-helix	trans	-53.6	-26.6	-174.2	-30.6	36.1	0	0	0	114.4	Y152	P148-Y152 WeakPolarHBondContact O-CB 3.09Å; P148-Y152 PolarHBondContact O-N 2.85Å
149	A	63.1	Low	60.8	Low	60 Å²	60	102 Å²	102	50%	0.496	57%	0.566	S	S	.	*	H	α-helix	trans	-67.1	-38.1	172.1	0	0	0	0	0	114.2	A147 Y152 L153	A147-A149 CarbonylContact O-C 3.59Å; A147-A149 PolarHBondContact O-N 3.19Å; A149-Y152 PolarHBondContact O-N 2.7Å; A149-L153 WeakPolarHBondContact O-CB 3.43Å; A149-L153 WeakPolarHBondContact O-CD1 3.17Å; A149-L153 VanDerWaalsContact O-CG 3.25Å; A149-L153 WeakPolarHBondContact O-CG 3.37Å; A149-L153 PolarHBondContact O-N 3.02Å
150	E	68.1	Low	63.6	Low	91 Å²	91	106 Å²	106	43%	0.425	57%	0.569	S	S	.	*	H	α-helix	trans	-64.8	-53.6	-177.9	-178.8	179.1	-172.4	0	0	111.2	A147 Y152 L153 Q154	A147-E150 WeakPolarHBondContact O-CB 3.43Å; A147-E150 PolarHBondContact O-N 2.9Å; E150-Y152 PolarHBondContact O-N 3Å; E150-L153 PolarHBondContact O-N 2.86Å; E150-Q154 WeakPolarHBondContact O-CG 3.34Å; E150-Q154 PolarHBondContact O-N 2.58Å; E150-Q154 PolarHBondContact OE1-NE2 3.29Å
151	Q	69.6	Low	66.1	Low	96 Å²	96	98.9 Å²	98.9	45%	0.449	54%	0.543	S	S	.	.	H	α-helix	trans	-65.1	-31.8	177.6	-163.6	178.5	16.9	0	0	111.5	E155	Q151-E155 HydrophobicContact CG-CG 4.25Å; Q151-E155 WeakPolarHBondContact CG-OE2 3.25Å; Q151-E155 PolarHBondContact NE2-OE2 3.17Å; Q151-E155 WeakPolarHBondContact O-CB 3.36Å; Q151-E155 PolarHBondContact O-N 2.94Å
152	Y	75.6	Confident	69	Low	124 Å²	124	94.1 Å²	94.1	49%	0.486	51%	0.51	S	S	.	.	I	π-helix	trans	-66	-42.6	173.5	-175.7	-97	0	0	0	112.5	P148 A149 E150 K156 L157	P148-Y152 WeakPolarHBondContact O-CB 3.09Å; P148-Y152 PolarHBondContact O-N 2.85Å; A149-Y152 PolarHBondContact O-N 2.7Å; E150-Y152 PolarHBondContact O-N 3Å; Y152-K156 HydrophobicContact CD2-CB 3.75Å; Y152-K156 HydrophobicContact CD2-CD 4.06Å; Y152-K156 HydrophobicContact CD2-CG 4.49Å; Y152-K156 HydrophobicContact CE2-CB 4.18Å; Y152-K156 HydrophobicContact CG-CB 4.33Å; Y152-K156 WeakPolarHBondContact O-CA 3.48Å; Y152-K156 PolarHBondContact O-N 3.45Å; Y152-L157 HydrophobicContact CD1-CD1 4.14Å; Y152-L157 HydrophobicContact CD1-CG 3.95Å; Y152-L157 HydrophobicContact CE1-CD1 3.94Å; Y152-L157 HydrophobicContact CE1-CD2 3.71Å; Y152-L157 HydrophobicContact CE1-CG 3.53Å; Y152-L157 PolarHBondContact O-N 3.15Å
153	L	72.9	Confident	71.7	Confident	75 Å²	75	88.3 Å²	88.3	39%	0.393	48%	0.484	S	S	.	.	I	π-helix	trans	-65.8	-45.9	175.5	-77.8	158.6	0	0	0	112.2	A149 E150 L157	A149-L153 WeakPolarHBondContact O-CB 3.43Å; A149-L153 WeakPolarHBondContact O-CD1 3.17Å; A149-L153 VanDerWaalsContact O-CG 3.25Å; A149-L153 WeakPolarHBondContact O-CG 3.37Å; A149-L153 PolarHBondContact O-N 3.02Å; E150-L153 PolarHBondContact O-N 2.86Å; L153-L157 HydrophobicContact CD2-CD1 3.85Å
154	Q	73.8	Confident	74.2	Confident	53 Å²	53	85.1 Å²	85.1	25%	0.248	46%	0.462	C	S	.	.	I	π-helix	trans	-75.2	-37.4	-176.2	-66.9	179.9	25.3	0	0	112.9	E150 R183 F184	E150-Q154 WeakPolarHBondContact O-CG 3.34Å; E150-Q154 PolarHBondContact O-N 2.58Å; E150-Q154 PolarHBondContact OE1-NE2 3.29Å; Q154-R183 PolarHBondContact O-NH1 2.77Å; Q154-F184 HydrophobicContact CG-CZ 4.41Å
155	E	75.5	Confident	76.7	Confident	127 Å²	127	81.1 Å²	81.1	59%	0.593	44%	0.44	S	S	*	.	I	π-helix	trans	-120.4	-19.8	-167.4	-54	-171.4	139.2	0	0	115.9	Q151	Q151-E155 HydrophobicContact CG-CG 4.25Å; Q151-E155 WeakPolarHBondContact CG-OE2 3.25Å; Q151-E155 PolarHBondContact NE2-OE2 3.17Å; Q151-E155 WeakPolarHBondContact O-CB 3.36Å; Q151-E155 PolarHBondContact O-N 2.94Å
156	K	80.4	Confident	79.2	Confident	137 Å²	137	76.5 Å²	76.5	60%	0.596	41%	0.407	S	S	*	.	I	π-helix	trans	-117.6	-26.5	-167.5	-60.7	-176.4	176.3	174.8	0	116.5	Y152	Y152-K156 HydrophobicContact CD2-CB 3.75Å; Y152-K156 HydrophobicContact CD2-CD 4.06Å; Y152-K156 HydrophobicContact CD2-CG 4.49Å; Y152-K156 HydrophobicContact CE2-CB 4.18Å; Y152-K156 HydrophobicContact CG-CB 4.33Å; Y152-K156 WeakPolarHBondContact O-CA 3.48Å; Y152-K156 PolarHBondContact O-N 3.45Å
157	L	86.8	Confident	81.3	Confident	26 Å²	26	75.6 Å²	75.6	14%	0.136	40%	0.397	C	S	.	.	S	Bend	trans	-69.9	142.5	172.7	-84.4	170.1	0	0	0	111.2	Y152 L153 V161 V162 I165 R183	Y152-L157 HydrophobicContact CD1-CD1 4.14Å; Y152-L157 HydrophobicContact CD1-CG 3.95Å; Y152-L157 HydrophobicContact CE1-CD1 3.94Å; Y152-L157 HydrophobicContact CE1-CD2 3.71Å; Y152-L157 HydrophobicContact CE1-CG 3.53Å; Y152-L157 PolarHBondContact O-N 3.15Å; L153-L157 HydrophobicContact CD2-CD1 3.85Å; L157-V161 HydrophobicContact CD2-CB 4.41Å; L157-V161 HydrophobicContact CD2-CG1 4.02Å; L157-V162 HydrophobicContact CB-CG2 4.09Å; L157-I165 HydrophobicContact CD1-CD1 4.42Å; L157-R183 PolarHBondContact O-NH1 3.1Å; L157-R183 PolarHBondContact O-NH2 2.87Å
158	P	91.6	Very high	83	Confident	67 Å²	67	81.2 Å²	81.2	44%	0.435	41%	0.408	S	S	.	.			trans	-63.5	152.2	173.5	-21.1	32.8	0	0	0	113.2	E160 V161 V162	P158-E160 VanDerWaalsContact C-N 3.26Å; P158-E160 WeakPolarHBondContact CB-OE2 3.23Å; P158-E160 PolarHBondContact O-N 2.84Å; P158-V161 HydrophobicContact CB-CG2 4.23Å; P158-V161 HydrophobicContact CG-CG2 4.18Å; P158-V161 PolarHBondContact O-N 2.98Å; P158-V161 VanDerWaalsContact O-N 3.09Å; P158-V162 PolarHBondContact O-N 3.09Å
159	D	91.7	Very high	84.4	Confident	75 Å²	75	78.2 Å²	78.2	40%	0.401	39%	0.385	S	S	.	.	H	α-helix	trans	-60	-35.2	-179.5	-73.3	-21.1	0	0	0	112.1	V161 V162 L163 R183 L187	D159-V161 VanDerWaalsContact C-N 3.29Å; D159-V161 PolarHBondContact O-N 2.66Å; D159-V162 PolarHBondContact O-N 3.31Å; D159-L163 WeakPolarHBondContact O-CB 3.49Å; D159-L163 VanDerWaalsContact O-CG 3.29Å; D159-L163 WeakPolarHBondContact O-CG 3.4Å; D159-L163 PolarHBondContact O-N 3.09Å; D159-R183 IonicContact OD1-CZ 3.69Å; D159-R183 IonicContact OD1-NE 2.86Å; D159-R183 PolarHBondContact OD1-NE 2.89Å; D159-R183 IonicContact OD1-NH2 2.7Å; D159-R183 PolarHBondContact OD1-NH2 3.06Å; D159-L187 HydrophobicContact CB-CD1 4.44Å; D159-L187 HydrophobicContact CB-CD2 3.99Å; D159-L187 WeakPolarHBondContact OD1-CD1 3.38Å
160	E	90.6	Very high	85.8	Confident	141 Å²	141	76.7 Å²	76.7	66%	0.659	37%	0.369	S	S	*	.	H	α-helix	trans	-64.6	-34.2	177.4	-52.9	86.8	164.2	0	0	112	P158 K164	P158-E160 VanDerWaalsContact C-N 3.26Å; P158-E160 WeakPolarHBondContact CB-OE2 3.23Å; P158-E160 PolarHBondContact O-N 2.84Å; E160-K164 VanDerWaalsContact O-CB 3.28Å; E160-K164 WeakPolarHBondContact O-CB 3.48Å; E160-K164 PolarHBondContact O-N 2.72Å
161	V	91.8	Very high	87	Confident	63 Å²	63	72.7 Å²	72.7	38%	0.382	35%	0.35	S	S	.	.	H	α-helix	trans	-76.3	-39.5	176.8	-173.7	0	0	0	0	110.3	L157 P158 D159 K164 I165	L157-V161 HydrophobicContact CD2-CB 4.41Å; L157-V161 HydrophobicContact CD2-CG1 4.02Å; P158-V161 HydrophobicContact CB-CG2 4.23Å; P158-V161 HydrophobicContact CG-CG2 4.18Å; P158-V161 PolarHBondContact O-N 2.98Å; P158-V161 VanDerWaalsContact O-N 3.09Å; D159-V161 VanDerWaalsContact C-N 3.29Å; D159-V161 PolarHBondContact O-N 2.66Å; V161-K164 PolarHBondContact O-N 2.73Å; V161-I165 HydrophobicContact CG1-CD1 4.26Å; V161-I165 VanDerWaalsContact O-CG1 3.32Å; V161-I165 WeakPolarHBondContact O-CG1 3.35Å; V161-I165 PolarHBondContact O-N 3.28Å
162	V	91.5	Very high	88	Confident	4 Å²	4	70.5 Å²	70.5	2%	0.024	34%	0.34	C	S	.	.	H	α-helix	trans	-64.4	-44.9	174.3	178.3	0	0	0	0	110.8	L157 P158 D159 K164 I165 F166 F184 L187	L157-V162 HydrophobicContact CB-CG2 4.09Å; P158-V162 PolarHBondContact O-N 3.09Å; D159-V162 PolarHBondContact O-N 3.31Å; V162-K164 VanDerWaalsContact C-N 3.31Å; V162-K164 PolarHBondContact O-N 3.18Å; V162-I165 PolarHBondContact O-N 3.02Å; V162-F166 HydrophobicContact CG1-CD1 4.15Å; V162-F166 HydrophobicContact CG1-CD2 4.28Å; V162-F166 HydrophobicContact CG1-CE1 3.73Å; V162-F166 HydrophobicContact CG1-CE2 3.88Å; V162-F166 HydrophobicContact CG1-CG 4.42Å; V162-F166 HydrophobicContact CG1-CZ 3.58Å; V162-F166 WeakPolarHBondContact O-CB 3.48Å; V162-F166 WeakPolarHBondContact O-CD1 3.42Å; V162-F166 WeakPolarHBondContact O-CG 3.19Å; V162-F166 PolarHBondContact O-N 3.08Å; V162-F184 HydrophobicContact CG1-CE1 4.25Å; V162-L187 HydrophobicContact CB-CD1 3.98Å; V162-L187 HydrophobicContact CG1-CD1 3.66Å
163	L	93.1	Very high	88.8	Confident	51 Å²	51	67.3 Å²	67.3	27%	0.267	33%	0.331	S	S	.	.	H	α-helix	trans	-62.3	-36.3	172.8	-72.3	167.7	0	0	0	112	D159 F166 S167 L187 D190	D159-L163 WeakPolarHBondContact O-CB 3.49Å; D159-L163 VanDerWaalsContact O-CG 3.29Å; D159-L163 WeakPolarHBondContact O-CG 3.4Å; D159-L163 PolarHBondContact O-N 3.09Å; L163-F166 PolarHBondContact O-N 3.46Å; L163-S167 PolarHBondContact O-N 3.22Å; L163-L187 HydrophobicContact CD1-CD2 4.21Å; L163-L187 HydrophobicContact CD2-CB 4.15Å; L163-L187 HydrophobicContact CD2-CD2 4.22Å; L163-L187 WeakPolarHBondContact CD2-O 3.45Å; L163-L187 HydrophobicContact CG-CD2 4.09Å; L163-D190 HydrophobicContact CD2-CB 3.89Å
164	K	93.4	Very high	89.8	Confident	104 Å²	104	63.8 Å²	63.8	45%	0.452	31%	0.312	S	S	.	.	H	α-helix	trans	-67.9	-36.6	174.4	-176.1	63.3	-158.8	128.8	0	112.1	E160 V161 V162 S167 Y168	E160-K164 VanDerWaalsContact O-CB 3.28Å; E160-K164 WeakPolarHBondContact O-CB 3.48Å; E160-K164 PolarHBondContact O-N 2.72Å; V161-K164 PolarHBondContact O-N 2.73Å; V162-K164 VanDerWaalsContact C-N 3.31Å; V162-K164 PolarHBondContact O-N 3.18Å; K164-S167 PolarHBondContact NZ-OG 2.81Å; K164-S167 PolarHBondContact O-N 2.84Å; K164-S167 PolarHBondContact O-OG 3.4Å; K164-Y168 HydrophobicContact CD-CE2 4.45Å; K164-Y168 VanDerWaalsContact CE-OH 3.22Å; K164-Y168 WeakPolarHBondContact CE-OH 3.08Å; K164-Y168 VanDerWaalsContact NZ-CE2 3.26Å; K164-Y168 PolarHBondContact NZ-OH 3.47Å; K164-Y168 WeakPolarHBondContact O-CD2 3.48Å; K164-Y168 VanDerWaalsContact O-CE2 3.31Å; K164-Y168 WeakPolarHBondContact O-CE2 3.23Å
165	I	92.8	Very high	90.7	Very high	75 Å²	75	63.7 Å²	63.7	39%	0.385	32%	0.317	S	S	.	.	H	α-helix	trans	-65.7	-47.3	171.2	-68.1	162.6	0	0	0	110.2	L157 V161 V162 S167 Y168	L157-I165 HydrophobicContact CD1-CD1 4.42Å; V161-I165 HydrophobicContact CG1-CD1 4.26Å; V161-I165 VanDerWaalsContact O-CG1 3.32Å; V161-I165 WeakPolarHBondContact O-CG1 3.35Å; V161-I165 PolarHBondContact O-N 3.28Å; V162-I165 PolarHBondContact O-N 3.02Å; I165-S167 PolarHBondContact O-N 2.89Å; I165-Y168 PolarHBondContact O-N 3.34Å
166	F	95.1	Very high	91.6	Very high	9 Å²	9	64.1 Å²	64.1	4%	0.039	31%	0.314	C	S	.	.	H	α-helix	trans	-61.5	-27.8	178.1	-72.1	5.4	0	0	0	112.3	V162 L163 Y168 L169 L174 A177 F184 L187 A188 L193	V162-F166 HydrophobicContact CG1-CD1 4.15Å; V162-F166 HydrophobicContact CG1-CD2 4.28Å; V162-F166 HydrophobicContact CG1-CE1 3.73Å; V162-F166 HydrophobicContact CG1-CE2 3.88Å; V162-F166 HydrophobicContact CG1-CG 4.42Å; V162-F166 HydrophobicContact CG1-CZ 3.58Å; V162-F166 WeakPolarHBondContact O-CB 3.48Å; V162-F166 WeakPolarHBondContact O-CD1 3.42Å; V162-F166 WeakPolarHBondContact O-CG 3.19Å; V162-F166 PolarHBondContact O-N 3.08Å; L163-F166 PolarHBondContact O-N 3.46Å; F166-Y168 PolarHBondContact O-N 3.29Å; F166-L169 HydrophobicContact CD1-CD1 3.78Å; F166-L169 HydrophobicContact CE1-CD1 4.35Å; F166-L169 HydrophobicContact CG-CD1 4.4Å; F166-L169 WeakPolarHBondContact O-CB 3.32Å; F166-L169 PolarHBondContact O-N 2.8Å; F166-L174 HydrophobicContact CB-CD2 3.85Å; F166-L174 HydrophobicContact CD2-CD2 4.4Å; F166-L174 HydrophobicContact CG-CD2 4.15Å; F166-A177 HydrophobicContact CE1-CB 4.26Å; F166-A177 HydrophobicContact CZ-CB 4.07Å; F166-F184 HydrophobicContact CE1-CD2 4.45Å; F166-F184 HydrophobicContact CE1-CE2 4.44Å; F166-F184 HydrophobicContact CZ-CB 4.27Å; F166-F184 HydrophobicContact CZ-CD1 4.31Å; F166-F184 AromaticContact CZ-CD2 3.87Å; F166-F184 HydrophobicContact CZ-CD2 3.87Å; F166-F184 HydrophobicContact CZ-CE2 4.24Å; F166-F184 AromaticContact CZ-CG 3.9Å; F166-F184 HydrophobicContact CZ-CG 3.9Å; F166-L187 HydrophobicContact CD2-CB 4.22Å; F166-L187 HydrophobicContact CE2-CB 3.83Å; F166-A188 HydrophobicContact CD2-CB 4.04Å; F166-A188 HydrophobicContact CE2-CB 3.76Å; F166-L193 HydrophobicContact CB-CD1 4.28Å; F166-L193 HydrophobicContact CB-CD2 4.07Å
167	S	92.9	Very high	92.2	Very high	39 Å²	39	58.2 Å²	58.2	27%	0.273	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	1.5	172.8	77.2	0	0	0	0	115.7	L163 K164 I165	L163-S167 PolarHBondContact O-N 3.22Å; K164-S167 PolarHBondContact NZ-OG 2.81Å; K164-S167 PolarHBondContact O-N 2.84Å; K164-S167 PolarHBondContact O-OG 3.4Å; I165-S167 PolarHBondContact O-N 2.89Å
168	Y	91.1	Very high	92.5	Very high	174 Å²	174	57.5 Å²	57.5	68%	0.682	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	4.1	169.7	-61.3	-81.1	0	0	0	113.3	K164 I165 F166	K164-Y168 HydrophobicContact CD-CE2 4.45Å; K164-Y168 VanDerWaalsContact CE-OH 3.22Å; K164-Y168 WeakPolarHBondContact CE-OH 3.08Å; K164-Y168 VanDerWaalsContact NZ-CE2 3.26Å; K164-Y168 PolarHBondContact NZ-OH 3.47Å; K164-Y168 WeakPolarHBondContact O-CD2 3.48Å; K164-Y168 VanDerWaalsContact O-CE2 3.31Å; K164-Y168 WeakPolarHBondContact O-CE2 3.23Å; I165-Y168 PolarHBondContact O-N 3.34Å; F166-Y168 PolarHBondContact O-N 3.29Å
169	L	92	Very high	92.7	Very high	52 Å²	52	59.8 Å²	59.8	27%	0.272	30%	0.304	S	S	.	.			trans	-99.6	142.3	179.5	-60.2	-179	0	0	0	111	F166 D173 L174	F166-L169 HydrophobicContact CD1-CD1 3.78Å; F166-L169 HydrophobicContact CE1-CD1 4.35Å; F166-L169 HydrophobicContact CG-CD1 4.4Å; F166-L169 WeakPolarHBondContact O-CB 3.32Å; F166-L169 PolarHBondContact O-N 2.8Å; L169-D173 HydrophobicContact CB-CB 4.17Å; L169-D173 HydrophobicContact CD2-CB 4.27Å; L169-L174 HydrophobicContact CB-CD2 3.74Å; L169-L174 HydrophobicContact CB-CG 3.98Å; L169-L174 HydrophobicContact CD1-CD2 4.1Å; L169-L174 HydrophobicContact CG-CD2 4.48Å
170	L	92.2	Very high	92.7	Very high	27 Å²	27	59.9 Å²	59.9	14%	0.141	31%	0.307	C	S	.	.			trans	-80.4	165.5	172.2	-58.2	-176.7	0	0	0	111.3	Q172 D173 L174 L197 R261	L170-Q172 VanDerWaalsContact C-N 3.28Å; L170-Q172 PolarHBondContact O-N 3.42Å; L170-Q172 VanDerWaalsContact O-N 3.14Å; L170-D173 PolarHBondContact O-N 3.18Å; L170-L174 PolarHBondContact O-N 2.81Å; L170-L197 HydrophobicContact CD2-CD1 4.42Å; L170-R261 HydrophobicContact CD1-CG 4.36Å
171	E	92.1	Very high	92.7	Very high	8 Å²	8	55 Å²	55	4%	0.037	29%	0.288	C	S	.	.	H	α-helix	trans	-46.8	-42.7	-178	53.6	-71.1	154.4	0	0	114.3	C175 W194 L197 F234 Y238 R261	E171-C175 WeakPolarHBondContact O-CB 3.35Å; E171-C175 PolarHBondContact O-N 3.39Å; E171-C175 PolarHBondContact O-SG 2.94Å; E171-C175 VanDerWaalsContact O-SG 3.39Å; E171-W194 HydrophobicContact CB-CH2 3.84Å; E171-W194 HydrophobicContact CB-CZ3 3.99Å; E171-L197 HydrophobicContact CB-CD2 3.85Å; E171-F234 HydrophobicContact CB-CD1 4.36Å; E171-F234 HydrophobicContact CB-CE1 3.78Å; E171-F234 HydrophobicContact CB-CZ 4.07Å; E171-F234 HydrophobicContact CG-CE1 3.61Å; E171-F234 HydrophobicContact CG-CZ 3.96Å; E171-Y238 HydrophobicContact CG-CD2 4.34Å; E171-Y238 HydrophobicContact CG-CE2 3.72Å; E171-R261 WeakPolarHBondContact OE1-CG 3.45Å; E171-R261 IonicContact OE1-CZ 3.67Å; E171-R261 IonicContact OE1-NE 3.79Å; E171-R261 PolarHBondContact OE1-NE 3.46Å; E171-R261 IonicContact OE1-NH2 3.17Å; E171-R261 IonicContact OE2-CZ 3.9Å; E171-R261 IonicContact OE2-NE 3.43Å; E171-R261 PolarHBondContact OE2-NE 3.08Å; E171-R261 IonicContact OE2-NH2 2.81Å; E171-R261 PolarHBondContact OE2-NH2 3.18Å
172	Q	90.8	Very high	92.6	Very high	49 Å²	49	59 Å²	59	23%	0.229	30%	0.3	C	S	.	.	H	α-helix	trans	-67.3	-41	177.8	-67.8	-158.7	1.7	0	0	112.1	L170 C175 R176 Y238 G260	L170-Q172 VanDerWaalsContact C-N 3.28Å; L170-Q172 PolarHBondContact O-N 3.42Å; L170-Q172 VanDerWaalsContact O-N 3.14Å; Q172-C175 PolarHBondContact O-N 3.25Å; Q172-R176 VanDerWaalsContact O-CG 3.28Å; Q172-R176 WeakPolarHBondContact O-CG 3.42Å; Q172-R176 PolarHBondContact O-N 2.89Å; Q172-Y238 PolarHBondContact NE2-OH 3.46Å; Q172-G260 PolarHBondContact NE2-O 3.35Å
173	D	92.7	Very high	92.7	Very high	57 Å²	57	61.5 Å²	61.5	31%	0.305	31%	0.309	S	S	.	.	H	α-helix	trans	-76.4	-29.6	-179.1	-71.8	-39.6	0	0	0	112.3	L169 L170 R176 A177	L169-D173 HydrophobicContact CB-CB 4.17Å; L169-D173 HydrophobicContact CD2-CB 4.27Å; L170-D173 PolarHBondContact O-N 3.18Å; D173-R176 PolarHBondContact O-N 3.41Å; D173-R176 VanDerWaalsContact OD1-CD 3.3Å; D173-R176 WeakPolarHBondContact OD1-CD 3.29Å; D173-R176 IonicContact OD1-CZ 2.58Å; D173-R176 IonicContact OD1-NE 3.18Å; D173-R176 IonicContact OD1-NH1 2.84Å; D173-R176 PolarHBondContact OD1-NH1 2.74Å; D173-A177 VanDerWaalsContact O-CB 3.29Å; D173-A177 WeakPolarHBondContact O-CB 3.35Å; D173-A177 PolarHBondContact O-N 3.48Å
174	L	93.7	Very high	92.7	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-43.8	165.8	-67.8	-180	0	0	0	111.6	F166 L169 L170 R176 A177 A178 A188 L193 W194 L197	F166-L174 HydrophobicContact CB-CD2 3.85Å; F166-L174 HydrophobicContact CD2-CD2 4.4Å; F166-L174 HydrophobicContact CG-CD2 4.15Å; L169-L174 HydrophobicContact CB-CD2 3.74Å; L169-L174 HydrophobicContact CB-CG 3.98Å; L169-L174 HydrophobicContact CD1-CD2 4.1Å; L169-L174 HydrophobicContact CG-CD2 4.48Å; L170-L174 PolarHBondContact O-N 2.81Å; L174-R176 VanDerWaalsContact C-N 3.34Å; L174-R176 PolarHBondContact O-N 3.39Å; L174-A177 PolarHBondContact O-N 3.38Å; L174-A178 WeakPolarHBondContact O-CB 3.32Å; L174-A178 PolarHBondContact O-N 2.87Å; L174-A188 WeakPolarHBondContact O-CB 3.29Å; L174-L193 HydrophobicContact CD1-CD2 3.86Å; L174-L193 HydrophobicContact CD1-CG 4.02Å; L174-L193 HydrophobicContact CD2-CD2 3.79Å; L174-L193 HydrophobicContact CG-CD2 4.47Å; L174-W194 HydrophobicContact CB-CZ2 4.05Å; L174-W194 HydrophobicContact CD1-CZ2 4.27Å; L174-L197 HydrophobicContact CD1-CD2 4.06Å
175	C	93	Very high	92.7	Very high	52 Å²	52	57.2 Å²	57.2	35%	0.351	29%	0.294	S	S	.	.	H	α-helix	trans	-66.7	-32.3	174.5	-75.3	0	0	0	0	112.9	E171 Q172 C179	E171-C175 WeakPolarHBondContact O-CB 3.35Å; E171-C175 PolarHBondContact O-N 3.39Å; E171-C175 PolarHBondContact O-SG 2.94Å; E171-C175 VanDerWaalsContact O-SG 3.39Å; Q172-C175 PolarHBondContact O-N 3.25Å; C175-C179 PolarHBondContact O-SG 3.13Å; C175-C179 VanDerWaalsContact O-SG 3.41Å
176	R	93.8	Very high	92.7	Very high	136 Å²	136	59 Å²	59	51%	0.513	30%	0.301	S	S	.	.	H	α-helix	trans	-68.6	-45.7	170.5	-70.9	163.2	-175.1	144.4	9	111.5	Q172 D173 L174 A178 C179	Q172-R176 VanDerWaalsContact O-CG 3.28Å; Q172-R176 WeakPolarHBondContact O-CG 3.42Å; Q172-R176 PolarHBondContact O-N 2.89Å; D173-R176 PolarHBondContact O-N 3.41Å; D173-R176 VanDerWaalsContact OD1-CD 3.3Å; D173-R176 WeakPolarHBondContact OD1-CD 3.29Å; D173-R176 IonicContact OD1-CZ 2.58Å; D173-R176 IonicContact OD1-NE 3.18Å; D173-R176 IonicContact OD1-NH1 2.84Å; D173-R176 PolarHBondContact OD1-NH1 2.74Å; L174-R176 VanDerWaalsContact C-N 3.34Å; L174-R176 PolarHBondContact O-N 3.39Å; R176-A178 VanDerWaalsContact C-N 3.3Å; R176-A178 PolarHBondContact O-N 3.33Å; R176-C179 WeakPolarHBondContact O-CB 3.28Å; R176-C179 PolarHBondContact O-N 2.99Å; R176-C179 VanDerWaalsContact O-N 3.09Å
177	A	93.4	Very high	92.6	Very high	13 Å²	13	59.6 Å²	59.6	11%	0.107	31%	0.305	C	S	.	.	H	α-helix	trans	-60	-40.1	176.6	0	0	0	0	0	111.7	F166 D173 L174 C179 V180 F184 A188	F166-A177 HydrophobicContact CE1-CB 4.26Å; F166-A177 HydrophobicContact CZ-CB 4.07Å; D173-A177 VanDerWaalsContact O-CB 3.29Å; D173-A177 WeakPolarHBondContact O-CB 3.35Å; D173-A177 PolarHBondContact O-N 3.48Å; L174-A177 PolarHBondContact O-N 3.38Å; A177-C179 PolarHBondContact O-N 2.71Å; A177-C179 VanDerWaalsContact O-N 3.08Å; A177-V180 WeakPolarHBondContact O-CB 3.25Å; A177-V180 WeakPolarHBondContact O-CG2 3.46Å; A177-V180 PolarHBondContact O-N 3.43Å; A177-F184 WeakPolarHBondContact O-CB 3.49Å; A177-A188 HydrophobicContact CB-CB 4.46Å
178	A	94.1	Very high	92.7	Very high	11 Å²	11	57.8 Å²	57.8	9%	0.091	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-18.5	176.6	0	0	0	0	0	114.2	L174 R176 S185 A188	L174-A178 WeakPolarHBondContact O-CB 3.32Å; L174-A178 PolarHBondContact O-N 2.87Å; R176-A178 VanDerWaalsContact C-N 3.3Å; R176-A178 PolarHBondContact O-N 3.33Å; A178-S185 VanDerWaalsContact O-CB 3.23Å; A178-S185 WeakPolarHBondContact O-CB 3.46Å; A178-S185 PolarHBondContact O-OG 2.97Å; A178-A188 HydrophobicContact CB-CB 3.98Å
179	C	94.9	Very high	92.9	Very high	114 Å²	114	52.1 Å²	52.1	77%	0.77	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-5.1	176.9	-67.3	0	0	0	0	114.2	C175 R176 A177	C175-C179 PolarHBondContact O-SG 3.13Å; C175-C179 VanDerWaalsContact O-SG 3.41Å; R176-C179 WeakPolarHBondContact O-CB 3.28Å; R176-C179 PolarHBondContact O-N 2.99Å; R176-C179 VanDerWaalsContact O-N 3.09Å; A177-C179 PolarHBondContact O-N 2.71Å; A177-C179 VanDerWaalsContact O-N 3.08Å
180	V	91.9	Very high	92.9	Very high	77 Å²	77	51.6 Å²	51.6	47%	0.467	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-55	-175.3	176.7	0	0	0	0	111.9	A177 F184	A177-V180 WeakPolarHBondContact O-CB 3.25Å; A177-V180 WeakPolarHBondContact O-CG2 3.46Å; A177-V180 PolarHBondContact O-N 3.43Å; V180-F184 HydrophobicContact CB-CB 4.47Å; V180-F184 HydrophobicContact CB-CD2 3.96Å; V180-F184 HydrophobicContact CG1-CD2 4.12Å; V180-F184 HydrophobicContact CG1-CE2 4.48Å; V180-F184 HydrophobicContact CG2-CD2 4.35Å
181	C	90.4	Very high	92.9	Very high	38 Å²	38	53 Å²	53	26%	0.257	28%	0.281	S	S	.	.			trans	-155.3	166.1	179.3	75.2	0	0	0	0	110.8	R183 F184 S185	C181-R183 VanDerWaalsContact C-N 3.33Å; C181-R183 PolarHBondContact O-N 3.31Å; C181-F184 PolarHBondContact O-N 2.9Å; C181-F184 VanDerWaalsContact O-N 3.15Å; C181-F184 PolarHBondContact SG-N 2.95Å; C181-S185 PolarHBondContact O-N 3.32Å
182	K	90.2	Very high	93	Very high	147 Å²	147	57.4 Å²	57.4	64%	0.639	30%	0.304	S	S	*	.	H	α-helix	trans	-54.6	-45.3	-177.9	-176.9	177	176.7	-70	0	112.8	S185 E186	K182-S185 WeakPolarHBondContact O-CA 3.38Å; K182-S185 VanDerWaalsContact O-CB 3.23Å; K182-S185 WeakPolarHBondContact O-CB 3.5Å; K182-S185 PolarHBondContact O-N 3.24Å; K182-S185 VanDerWaalsContact O-N 3.17Å; K182-E186 IonicContact NZ-OE1 3.67Å; K182-E186 PolarHBondContact NZ-OE1 3.25Å; K182-E186 IonicContact NZ-OE2 2.72Å; K182-E186 PolarHBondContact NZ-OE2 3.04Å; K182-E186 WeakPolarHBondContact O-CG 3.28Å; K182-E186 PolarHBondContact O-N 2.79Å
183	R	92.3	Very high	93.1	Very high	57 Å²	57	55.5 Å²	55.5	22%	0.215	30%	0.296	C	S	.	.	H	α-helix	trans	-60.3	-46.2	178	-179.8	-177.5	173.9	-141.7	-3.4	111.8	Q154 L157 D159 C181 S185 E186 L187	Q154-R183 PolarHBondContact O-NH1 2.77Å; L157-R183 PolarHBondContact O-NH1 3.1Å; L157-R183 PolarHBondContact O-NH2 2.87Å; D159-R183 IonicContact OD1-CZ 3.69Å; D159-R183 IonicContact OD1-NE 2.86Å; D159-R183 PolarHBondContact OD1-NE 2.89Å; D159-R183 IonicContact OD1-NH2 2.7Å; D159-R183 PolarHBondContact OD1-NH2 3.06Å; C181-R183 VanDerWaalsContact C-N 3.33Å; C181-R183 PolarHBondContact O-N 3.31Å; R183-S185 VanDerWaalsContact C-N 3.3Å; R183-S185 PolarHBondContact O-N 3.04Å; R183-E186 PolarHBondContact O-N 2.64Å; R183-L187 HydrophobicContact CG-CD1 3.98Å; R183-L187 WeakPolarHBondContact O-CG 3.3Å; R183-L187 PolarHBondContact O-N 2.8Å
184	F	94.4	Very high	93.3	Very high	23 Å²	23	53.1 Å²	53.1	10%	0.101	28%	0.282	C	S	.	.	H	α-helix	trans	-67.2	-33.4	176.9	-79.5	25.3	0	0	0	111.3	Q154 V162 F166 A177 V180 C181 E186 A188	Q154-F184 HydrophobicContact CG-CZ 4.41Å; V162-F184 HydrophobicContact CG1-CE1 4.25Å; F166-F184 HydrophobicContact CE1-CD2 4.45Å; F166-F184 HydrophobicContact CE1-CE2 4.44Å; F166-F184 HydrophobicContact CZ-CB 4.27Å; F166-F184 HydrophobicContact CZ-CD1 4.31Å; F166-F184 AromaticContact CZ-CD2 3.87Å; F166-F184 HydrophobicContact CZ-CD2 3.87Å; F166-F184 HydrophobicContact CZ-CE2 4.24Å; F166-F184 AromaticContact CZ-CG 3.9Å; F166-F184 HydrophobicContact CZ-CG 3.9Å; A177-F184 WeakPolarHBondContact O-CB 3.49Å; V180-F184 HydrophobicContact CB-CB 4.47Å; V180-F184 HydrophobicContact CB-CD2 3.96Å; V180-F184 HydrophobicContact CG1-CD2 4.12Å; V180-F184 HydrophobicContact CG1-CE2 4.48Å; V180-F184 HydrophobicContact CG2-CD2 4.35Å; C181-F184 PolarHBondContact O-N 2.9Å; C181-F184 VanDerWaalsContact O-N 3.15Å; C181-F184 PolarHBondContact SG-N 2.95Å; F184-E186 VanDerWaalsContact C-N 3.35Å; F184-A188 WeakPolarHBondContact O-CB 3.35Å; F184-A188 PolarHBondContact O-N 3.01Å
185	S	92.7	Very high	93.3	Very high	43 Å²	43	57.1 Å²	57.1	30%	0.301	30%	0.299	S	S	.	.	H	α-helix	trans	-60.8	-41.2	170.9	-136.2	0	0	0	0	112.5	A178 C181 K182 R183 N189	A178-S185 VanDerWaalsContact O-CB 3.23Å; A178-S185 WeakPolarHBondContact O-CB 3.46Å; A178-S185 PolarHBondContact O-OG 2.97Å; C181-S185 PolarHBondContact O-N 3.32Å; K182-S185 WeakPolarHBondContact O-CA 3.38Å; K182-S185 VanDerWaalsContact O-CB 3.23Å; K182-S185 WeakPolarHBondContact O-CB 3.5Å; K182-S185 PolarHBondContact O-N 3.24Å; K182-S185 VanDerWaalsContact O-N 3.17Å; R183-S185 VanDerWaalsContact C-N 3.3Å; R183-S185 PolarHBondContact O-N 3.04Å; S185-N189 WeakPolarHBondContact O-CB 3.49Å; S185-N189 PolarHBondContact O-N 3.23Å; S185-N189 PolarHBondContact O-ND2 3.46Å
186	E	92.1	Very high	93.4	Very high	113 Å²	113	62.3 Å²	62.3	53%	0.528	31%	0.312	S	S	.	.	H	α-helix	trans	-69.9	-48.6	178	-71.3	169.3	144.7	0	0	111	K182 R183 F184 N189	K182-E186 IonicContact NZ-OE1 3.67Å; K182-E186 PolarHBondContact NZ-OE1 3.25Å; K182-E186 IonicContact NZ-OE2 2.72Å; K182-E186 PolarHBondContact NZ-OE2 3.04Å; K182-E186 WeakPolarHBondContact O-CG 3.28Å; K182-E186 PolarHBondContact O-N 2.79Å; R183-E186 PolarHBondContact O-N 2.64Å; F184-E186 VanDerWaalsContact C-N 3.35Å; E186-N189 PolarHBondContact O-N 2.99Å
187	L	93.8	Very high	93.4	Very high	21 Å²	21	56.4 Å²	56.4	11%	0.11	29%	0.29	C	S	.	.	H	α-helix	trans	-69.1	-37.1	-179.1	-62.7	174.1	0	0	0	113.9	D159 V162 L163 F166 R183 N189 D190	D159-L187 HydrophobicContact CB-CD1 4.44Å; D159-L187 HydrophobicContact CB-CD2 3.99Å; D159-L187 WeakPolarHBondContact OD1-CD1 3.38Å; V162-L187 HydrophobicContact CB-CD1 3.98Å; V162-L187 HydrophobicContact CG1-CD1 3.66Å; L163-L187 HydrophobicContact CD1-CD2 4.21Å; L163-L187 HydrophobicContact CD2-CB 4.15Å; L163-L187 HydrophobicContact CD2-CD2 4.22Å; L163-L187 WeakPolarHBondContact CD2-O 3.45Å; L163-L187 HydrophobicContact CG-CD2 4.09Å; F166-L187 HydrophobicContact CD2-CB 4.22Å; F166-L187 HydrophobicContact CE2-CB 3.83Å; R183-L187 HydrophobicContact CG-CD1 3.98Å; R183-L187 WeakPolarHBondContact O-CG 3.3Å; R183-L187 PolarHBondContact O-N 2.8Å; L187-N189 PolarHBondContact O-N 3.28Å; L187-D190 WeakPolarHBondContact O-CB 3.36Å; L187-D190 PolarHBondContact O-N 3.41Å
188	A	95.1	Very high	93.5	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-1.7	177.7	0	0	0	0	0	113.3	F166 L174 A177 A178 F184 W194	F166-A188 HydrophobicContact CD2-CB 4.04Å; F166-A188 HydrophobicContact CE2-CB 3.76Å; L174-A188 WeakPolarHBondContact O-CB 3.29Å; A177-A188 HydrophobicContact CB-CB 4.46Å; A178-A188 HydrophobicContact CB-CB 3.98Å; F184-A188 WeakPolarHBondContact O-CB 3.35Å; F184-A188 PolarHBondContact O-N 3.01Å; A188-W194 PolarHBondContact O-NE1 3.36Å
189	N	94.3	Very high	93.5	Very high	55 Å²	55	58.6 Å²	58.6	29%	0.294	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	13.2	169.3	-75.2	-57.1	0	0	0	112.6	S185 E186 L187 N228 K231	S185-N189 WeakPolarHBondContact O-CB 3.49Å; S185-N189 PolarHBondContact O-N 3.23Å; S185-N189 PolarHBondContact O-ND2 3.46Å; E186-N189 PolarHBondContact O-N 2.99Å; L187-N189 PolarHBondContact O-N 3.28Å; N189-N228 PolarHBondContact O-ND2 3.41Å; N189-K231 VanDerWaalsContact OD1-CD 3.25Å; N189-K231 WeakPolarHBondContact OD1-CD 3.31Å; N189-K231 PolarHBondContact OD1-NZ 3.31Å
190	D	94	Very high	93.4	Very high	42 Å²	42	58 Å²	58	23%	0.225	28%	0.283	C	S	.	.			trans	-57.4	127.3	177.9	171.3	-113.5	0	0	0	112.9	L163 L187 I192 L193 W194	L163-D190 HydrophobicContact CD2-CB 3.89Å; L187-D190 WeakPolarHBondContact O-CB 3.36Å; L187-D190 PolarHBondContact O-N 3.41Å; D190-I192 VanDerWaalsContact C-N 3.31Å; D190-I192 PolarHBondContact O-N 2.81Å; D190-I192 WeakPolarHBondContact OD1-CA 3.22Å; D190-I192 WeakPolarHBondContact OD1-CB 3.5Å; D190-I192 PolarHBondContact OD1-N 3.14Å; D190-I192 VanDerWaalsContact OD1-N 3.1Å; D190-L193 HydrophobicContact CB-CB 3.98Å; D190-L193 WeakPolarHBondContact O-CB 3.16Å; D190-L193 PolarHBondContact O-N 3.39Å; D190-L193 WeakPolarHBondContact OD1-CB 3.34Å; D190-L193 PolarHBondContact OD1-N 2.96Å; D190-W194 PolarHBondContact O-N 2.93Å; D190-W194 VanDerWaalsContact O-N 3.13Å
191	P	92.1	Very high	93.4	Very high	55 Å²	55	54.3 Å²	54.3	36%	0.357	26%	0.261	S	S	.	.	H	α-helix	trans	-63.6	-27.4	179.5	-26.2	36.2	0	0	0	115.1	K195	P191-K195 WeakPolarHBondContact O-CB 3.41Å; P191-K195 PolarHBondContact O-N 3.26Å
192	I	92.8	Very high	93.7	Very high	101 Å²	101	52.5 Å²	52.5	52%	0.518	25%	0.249	S	C	.	.	H	α-helix	trans	-76	-40	-179.3	-56.7	175.8	0	0	0	110.5	D190 R196	D190-I192 VanDerWaalsContact C-N 3.31Å; D190-I192 PolarHBondContact O-N 2.81Å; D190-I192 WeakPolarHBondContact OD1-CA 3.22Å; D190-I192 WeakPolarHBondContact OD1-CB 3.5Å; D190-I192 PolarHBondContact OD1-N 3.14Å; D190-I192 VanDerWaalsContact OD1-N 3.1Å; I192-R196 WeakPolarHBondContact O-CG 3.47Å; I192-R196 PolarHBondContact O-N 3.2Å; I192-R196 VanDerWaalsContact O-N 3.07Å
193	L	94.4	Very high	93.9	Very high	10 Å²	10	47.3 Å²	47.3	5%	0.052	23%	0.227	C	C	.	.	H	α-helix	trans	-57.5	-54.7	171.4	-179	70.2	0	0	0	110.9	F166 L174 D190 K195 R196 L197	F166-L193 HydrophobicContact CB-CD1 4.28Å; F166-L193 HydrophobicContact CB-CD2 4.07Å; L174-L193 HydrophobicContact CD1-CD2 3.86Å; L174-L193 HydrophobicContact CD1-CG 4.02Å; L174-L193 HydrophobicContact CD2-CD2 3.79Å; L174-L193 HydrophobicContact CG-CD2 4.47Å; D190-L193 HydrophobicContact CB-CB 3.98Å; D190-L193 WeakPolarHBondContact O-CB 3.16Å; D190-L193 PolarHBondContact O-N 3.39Å; D190-L193 WeakPolarHBondContact OD1-CB 3.34Å; D190-L193 PolarHBondContact OD1-N 2.96Å; L193-K195 PolarHBondContact O-N 2.92Å; L193-R196 PolarHBondContact O-N 2.91Å; L193-L197 PolarHBondContact O-N 3.48Å; L193-L197 VanDerWaalsContact O-N 3.15Å
194	W	95.6	Very high	94	Very high	6 Å²	6	44.6 Å²	44.6	2%	0.023	22%	0.217	C	C	.	.	H	α-helix	trans	-66	-36.6	178.9	-78.6	88.4	0	0	0	112.7	E171 L174 A188 D190 R196 L197 Y198 W230 K231 F234	E171-W194 HydrophobicContact CB-CH2 3.84Å; E171-W194 HydrophobicContact CB-CZ3 3.99Å; L174-W194 HydrophobicContact CB-CZ2 4.05Å; L174-W194 HydrophobicContact CD1-CZ2 4.27Å; A188-W194 PolarHBondContact O-NE1 3.36Å; D190-W194 PolarHBondContact O-N 2.93Å; D190-W194 VanDerWaalsContact O-N 3.13Å; W194-R196 PolarHBondContact O-N 3.38Å; W194-L197 HydrophobicContact CE3-CD2 4.35Å; W194-L197 HydrophobicContact CZ3-CD2 4.25Å; W194-L197 PolarHBondContact O-N 3.07Å; W194-Y198 WeakPolarHBondContact O-CB 3.46Å; W194-Y198 PolarHBondContact O-N 3.15Å; W194-W230 HydrophobicContact CB-CB 3.91Å; W194-K231 HydrophobicContact CB-CB 4.44Å; W194-K231 HydrophobicContact CD2-CB 3.65Å; W194-K231 HydrophobicContact CD2-CD 4.11Å; W194-K231 HydrophobicContact CD2-CG 3.83Å; W194-K231 HydrophobicContact CE3-CB 3.85Å; W194-K231 HydrophobicContact CE3-CG 3.9Å; W194-K231 HydrophobicContact CG-CB 3.9Å; W194-K231 HydrophobicContact CH2-CD 4.25Å; W194-K231 HydrophobicContact CH2-CG 4.04Å; W194-K231 HydrophobicContact CZ2-CD 3.73Å; W194-K231 HydrophobicContact CZ2-CG 3.97Å; W194-K231 HydrophobicContact CZ3-CB 4.44Å; W194-K231 HydrophobicContact CZ3-CG 4Å; W194-F234 HydrophobicContact CE3-CB 4.15Å; W194-F234 HydrophobicContact CE3-CD2 4.28Å; W194-F234 HydrophobicContact CE3-CG 4.22Å; W194-F234 HydrophobicContact CZ3-CB 4.04Å; W194-F234 HydrophobicContact CZ3-CD1 4.18Å; W194-F234 HydrophobicContact CZ3-CD2 4.24Å; W194-F234 AromaticContact CZ3-CG 3.9Å; W194-F234 HydrophobicContact CZ3-CG 3.9Å
195	K	94.9	Very high	94	Very high	85 Å²	85	46.3 Å²	46.3	37%	0.37	23%	0.229	S	C	.	.	H	α-helix	trans	-57.5	-44.7	172.2	177.6	171.2	-173.9	172.1	0	112.5	P191 L193 M199 W230	P191-K195 WeakPolarHBondContact O-CB 3.41Å; P191-K195 PolarHBondContact O-N 3.26Å; L193-K195 PolarHBondContact O-N 2.92Å; K195-M199 HydrophobicContact CG-CG 4.47Å; K195-M199 HydrophobicContact CG-SD 3.93Å; K195-M199 WeakPolarHBondContact O-CB 3.4Å; K195-M199 VanDerWaalsContact O-CG 3.25Å; K195-M199 WeakPolarHBondContact O-CG 3.14Å; K195-M199 PolarHBondContact O-N 3.49Å; K195-W230 HydrophobicContact CB-CD2 3.74Å; K195-W230 HydrophobicContact CB-CE3 4.24Å; K195-W230 HydrophobicContact CB-CG 3.96Å; K195-W230 HydrophobicContact CB-CZ2 4.25Å; K195-W230 HydrophobicContact CD-CH2 4.02Å; K195-W230 HydrophobicContact CD-CZ2 3.49Å; K195-W230 VanDerWaalsContact CD-CZ2 3.49Å; K195-W230 HydrophobicContact CG-CD2 3.97Å; K195-W230 HydrophobicContact CG-CE3 4.16Å; K195-W230 HydrophobicContact CG-CH2 3.86Å; K195-W230 HydrophobicContact CG-CZ2 3.66Å; K195-W230 HydrophobicContact CG-CZ3 4.11Å
196	R	94.4	Very high	94	Very high	161 Å²	161	50.2 Å²	50.2	61%	0.608	24%	0.237	S	C	*	.	H	α-helix	trans	-63.5	-48.9	178.6	-74.4	172.7	-179.8	159.3	2.7	111.6	I192 L193 W194 Y198 M199 E200	I192-R196 WeakPolarHBondContact O-CG 3.47Å; I192-R196 PolarHBondContact O-N 3.2Å; I192-R196 VanDerWaalsContact O-N 3.07Å; L193-R196 PolarHBondContact O-N 2.91Å; W194-R196 PolarHBondContact O-N 3.38Å; R196-Y198 VanDerWaalsContact C-N 3.34Å; R196-Y198 PolarHBondContact O-N 2.96Å; R196-M199 PolarHBondContact O-N 3.06Å; R196-E200 PolarHBondContact O-N 3.18Å
197	L	93.7	Very high	94.1	Very high	12 Å²	12	44.9 Å²	44.9	6%	0.063	21%	0.212	C	C	.	.	H	α-helix	trans	-62.6	-41.4	179.9	-170.6	69.9	0	0	0	111.8	L170 E171 L174 L193 W194 E200 V201 F234	L170-L197 HydrophobicContact CD2-CD1 4.42Å; E171-L197 HydrophobicContact CB-CD2 3.85Å; L174-L197 HydrophobicContact CD1-CD2 4.06Å; L193-L197 PolarHBondContact O-N 3.48Å; L193-L197 VanDerWaalsContact O-N 3.15Å; W194-L197 HydrophobicContact CE3-CD2 4.35Å; W194-L197 HydrophobicContact CZ3-CD2 4.25Å; W194-L197 PolarHBondContact O-N 3.07Å; L197-E200 PolarHBondContact O-N 3.45Å; L197-V201 WeakPolarHBondContact O-CG2 3.5Å; L197-V201 PolarHBondContact O-N 2.93Å; L197-F234 HydrophobicContact CD2-CE2 4.12Å; L197-F234 HydrophobicContact CD2-CZ 4.37Å; L197-F234 HydrophobicContact CG-CE2 3.87Å; L197-F234 HydrophobicContact CG-CZ 4.34Å
198	Y	95.3	Very high	94.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.6	-44	175.6	-173.3	-87.7	0	0	0	112.1	W194 R196 E200 V201 F202 Y204 M208 W230 S233 F234 L237	W194-Y198 WeakPolarHBondContact O-CB 3.46Å; W194-Y198 PolarHBondContact O-N 3.15Å; R196-Y198 VanDerWaalsContact C-N 3.34Å; R196-Y198 PolarHBondContact O-N 2.96Å; Y198-E200 VanDerWaalsContact C-N 3.34Å; Y198-E200 PolarHBondContact O-N 2.95Å; Y198-V201 PolarHBondContact O-N 3.31Å; Y198-F202 HydrophobicContact CD1-CD2 4.33Å; Y198-F202 AromaticContact CD2-CD2 3.5Å; Y198-F202 HydrophobicContact CD2-CD2 3.5Å; Y198-F202 AromaticContact CD2-CE2 3.83Å; Y198-F202 HydrophobicContact CD2-CE2 3.83Å; Y198-F202 HydrophobicContact CE1-CB 4.26Å; Y198-F202 HydrophobicContact CE1-CD2 4.31Å; Y198-F202 AromaticContact CE2-CD2 3.42Å; Y198-F202 HydrophobicContact CE2-CD2 3.42Å; Y198-F202 VanDerWaalsContact CE2-CD2 3.42Å; Y198-F202 AromaticContact CE2-CE2 3.81Å; Y198-F202 HydrophobicContact CE2-CE2 3.81Å; Y198-F202 HydrophobicContact CE2-CG 4.26Å; Y198-F202 AromaticContact CG-CD2 3.96Å; Y198-F202 HydrophobicContact CG-CD2 3.96Å; Y198-F202 AromaticContact CZ-CD2 3.86Å; Y198-F202 PolarHBondContact O-N 2.95Å; Y198-Y204 HydrophobicContact CE1-CD2 4.06Å; Y198-M208 PolarHBondContact OH-N 3.11Å; Y198-W230 AromaticContact CD1-CE3 3.5Å; Y198-W230 HydrophobicContact CD1-CE3 3.5Å; Y198-W230 VanDerWaalsContact CD1-CE3 3.5Å; Y198-W230 AromaticContact CD1-CZ3 3.61Å; Y198-W230 HydrophobicContact CD1-CZ3 3.61Å; Y198-W230 HydrophobicContact CE1-CE3 4.1Å; Y198-W230 HydrophobicContact CE1-CZ3 4.04Å; Y198-W230 AromaticContact CG-CE3 3.83Å; Y198-W230 HydrophobicContact CG-CE3 3.83Å; Y198-W230 HydrophobicContact CG-CZ3 4.39Å; Y198-S233 WeakPolarHBondContact CE2-OG 3.41Å; Y198-S233 VanDerWaalsContact CZ-OG 3.23Å; Y198-S233 PolarHBondContact OH-OG 3.44Å; Y198-F234 HydrophobicContact CD2-CB 4Å; Y198-F234 AromaticContact CD2-CD2 3.86Å; Y198-F234 HydrophobicContact CD2-CD2 3.86Å; Y198-F234 HydrophobicContact CD2-CG 4.33Å; Y198-F234 HydrophobicContact CG-CD2 4.44Å; Y198-L237 HydrophobicContact CE2-CD1 4.14Å; Y198-L237 WeakPolarHBondContact OH-CD1 3.12Å
199	M	94.9	Very high	94.1	Very high	71 Å²	71	43.9 Å²	43.9	35%	0.35	21%	0.207	S	C	.	.	H	α-helix	trans	-68.1	-28.8	175.9	-72.5	179.9	69.7	0	0	113.3	K195 R196 V201 E203 Y204 T205	K195-M199 HydrophobicContact CG-CG 4.47Å; K195-M199 HydrophobicContact CG-SD 3.93Å; K195-M199 WeakPolarHBondContact O-CB 3.4Å; K195-M199 VanDerWaalsContact O-CG 3.25Å; K195-M199 WeakPolarHBondContact O-CG 3.14Å; K195-M199 PolarHBondContact O-N 3.49Å; R196-M199 PolarHBondContact O-N 3.06Å; M199-V201 VanDerWaalsContact C-N 3.31Å; M199-E203 WeakPolarHBondContact O-CA 3.12Å; M199-E203 PolarHBondContact O-N 3.49Å; M199-Y204 WeakPolarHBondContact CG-O 3.38Å; M199-T205 HydrophobicContact CE-CG2 4.24Å
200	E	92.1	Very high	94.1	Very high	100 Å²	100	43 Å²	43	47%	0.467	20%	0.201	S	C	.	.	H	α-helix	trans	-68.5	-30.1	172.2	-174.7	176	-175.2	0	0	112.1	R196 L197 Y198 R257	R196-E200 PolarHBondContact O-N 3.18Å; L197-E200 PolarHBondContact O-N 3.45Å; Y198-E200 VanDerWaalsContact C-N 3.34Å; Y198-E200 PolarHBondContact O-N 2.95Å; E200-R257 IonicContact OE1-NH2 3.24Å
201	V	93	Very high	93.9	Very high	1 Å²	1	44 Å²	44	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-94.7	-50.5	-174.4	172.4	0	0	0	0	113.5	L197 Y198 M199 F234 H242 R261 M264 H289	L197-V201 WeakPolarHBondContact O-CG2 3.5Å; L197-V201 PolarHBondContact O-N 2.93Å; Y198-V201 PolarHBondContact O-N 3.31Å; M199-V201 VanDerWaalsContact C-N 3.31Å; V201-F234 HydrophobicContact CB-CE2 4.19Å; V201-F234 HydrophobicContact CB-CZ 4.41Å; V201-F234 HydrophobicContact CG1-CZ 4.45Å; V201-F234 HydrophobicContact CG2-CE2 4.01Å; V201-F234 HydrophobicContact CG2-CZ 3.97Å; V201-H242 PolarHBondContact O-CE1 2.89Å; V201-R261 VanDerWaalsContact CG2-NH2 3.28Å; V201-M264 HydrophobicContact CB-CE 4.47Å; V201-M264 HydrophobicContact CG1-CE 3.38Å; V201-M264 HydrophobicContact CG2-CE 4.22Å; V201-H289 VanDerWaalsContact C-NE2 3.26Å; V201-H289 PolarHBondContact O-NE2 2.94Å
202	F	95.1	Very high	93.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-109.1	-3.8	-171.7	-53.6	-74.3	0	0	0	113.6	Y198 Y204 F234 L237 H242 F287 H289	Y198-F202 HydrophobicContact CD1-CD2 4.33Å; Y198-F202 AromaticContact CD2-CD2 3.5Å; Y198-F202 HydrophobicContact CD2-CD2 3.5Å; Y198-F202 AromaticContact CD2-CE2 3.83Å; Y198-F202 HydrophobicContact CD2-CE2 3.83Å; Y198-F202 HydrophobicContact CE1-CB 4.26Å; Y198-F202 HydrophobicContact CE1-CD2 4.31Å; Y198-F202 AromaticContact CE2-CD2 3.42Å; Y198-F202 HydrophobicContact CE2-CD2 3.42Å; Y198-F202 VanDerWaalsContact CE2-CD2 3.42Å; Y198-F202 AromaticContact CE2-CE2 3.81Å; Y198-F202 HydrophobicContact CE2-CE2 3.81Å; Y198-F202 HydrophobicContact CE2-CG 4.26Å; Y198-F202 AromaticContact CG-CD2 3.96Å; Y198-F202 HydrophobicContact CG-CD2 3.96Å; Y198-F202 AromaticContact CZ-CD2 3.86Å; Y198-F202 PolarHBondContact O-N 2.95Å; F202-Y204 HydrophobicContact CB-CD2 3.63Å; F202-Y204 HydrophobicContact CB-CE2 3.88Å; F202-Y204 PolarHBondContact O-N 2.93Å; F202-F234 HydrophobicContact CE2-CD1 4.42Å; F202-F234 AromaticContact CE2-CD2 3.82Å; F202-F234 HydrophobicContact CE2-CD2 3.82Å; F202-F234 AromaticContact CE2-CE2 3.98Å; F202-F234 HydrophobicContact CE2-CE2 3.98Å; F202-F234 HydrophobicContact CE2-CG 4.04Å; F202-F234 HydrophobicContact CE2-CZ 4.36Å; F202-L237 HydrophobicContact CD1-CB 4.4Å; F202-L237 HydrophobicContact CD1-CD1 4.33Å; F202-L237 HydrophobicContact CE1-CB 3.65Å; F202-L237 HydrophobicContact CE1-CD1 4.37Å; F202-L237 HydrophobicContact CE2-CB 4.23Å; F202-L237 HydrophobicContact CG-CD1 4.47Å; F202-L237 HydrophobicContact CZ-CB 3.54Å; F202-H242 AromaticContact CD1-CE1 3.76Å; F202-H242 AromaticContact CE1-CE1 3.73Å; F202-H242 AromaticContact CE1-NE2 3.97Å; F202-F287 HydrophobicContact CD1-CD1 4.09Å; F202-F287 HydrophobicContact CD1-CD2 4.25Å; F202-F287 AromaticContact CD1-CE1 3.79Å; F202-F287 HydrophobicContact CD1-CE1 3.79Å; F202-F287 AromaticContact CD1-CE2 3.98Å; F202-F287 HydrophobicContact CD1-CE2 3.98Å; F202-F287 HydrophobicContact CD1-CG 4.32Å; F202-F287 AromaticContact CD1-CZ 3.77Å; F202-F287 HydrophobicContact CD1-CZ 3.77Å; F202-F287 HydrophobicContact CE1-CD2 4.16Å; F202-F287 HydrophobicContact CE1-CE1 4.09Å; F202-F287 AromaticContact CE1-CE2 3.58Å; F202-F287 HydrophobicContact CE1-CE2 3.58Å; F202-F287 AromaticContact CE1-CZ 3.56Å; F202-F287 HydrophobicContact CE1-CZ 3.56Å; F202-H289 VanDerWaalsContact C-NE2 3.32Å; F202-H289 WeakPolarHBondContact CA-NE2 3.3Å
203	E	95.1	Very high	93.4	Very high	38 Å²	38	47 Å²	47	18%	0.178	23%	0.227	C	C	.	.			trans	59.2	-17.9	-177.6	-53.8	-169.3	179.9	0	0	117.5	M199 T205 K244 H289 S290 P311	M199-E203 WeakPolarHBondContact O-CA 3.12Å; M199-E203 PolarHBondContact O-N 3.49Å; E203-T205 PolarHBondContact O-N 3.24Å; E203-K244 IonicContact OE1-NZ 2.87Å; E203-K244 PolarHBondContact OE1-NZ 3.12Å; E203-H289 WeakPolarHBondContact CG-CE1 3.37Å; E203-H289 IonicContact OE1-CE1 3.83Å; E203-H289 PolarHBondContact OE1-CE1 2.65Å; E203-H289 IonicContact OE1-ND1 3.29Å; E203-H289 PolarHBondContact OE1-ND1 3.16Å; E203-H289 IonicContact OE2-CE1 2.73Å; E203-H289 PolarHBondContact OE2-CE1 3.15Å; E203-H289 VanDerWaalsContact OE2-CE1 3.29Å; E203-S290 WeakPolarHBondContact OE2-CB 3.25Å; E203-P311 VanDerWaalsContact O-CA 3.3Å; E203-P311 WeakPolarHBondContact O-CA 3.44Å; E203-P311 WeakPolarHBondContact O-CB 3.14Å
204	Y	95.3	Very high	92.8	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.229	C	C	.	.			trans	-59.2	136.1	-176.5	-52.3	-66.5	0	0	0	112.7	Y198 M199 F202 R206 M208 G308 A309 V314	Y198-Y204 HydrophobicContact CE1-CD2 4.06Å; M199-Y204 WeakPolarHBondContact CG-O 3.38Å; F202-Y204 HydrophobicContact CB-CD2 3.63Å; F202-Y204 HydrophobicContact CB-CE2 3.88Å; F202-Y204 PolarHBondContact O-N 2.93Å; Y204-R206 WeakPolarHBondContact CB-O 3.49Å; Y204-R206 PolarHBondContact O-N 3.15Å; Y204-M208 HydrophobicContact CD2-CB 3.96Å; Y204-M208 HydrophobicContact CE1-CE 4.19Å; Y204-M208 HydrophobicContact CE2-CB 3.81Å; Y204-M208 HydrophobicContact CE2-CG 4.38Å; Y204-G308 WeakPolarHBondContact CE1-O 3.5Å; Y204-G308 PolarHBondContact OH-O 2.91Å; Y204-A309 HydrophobicContact CE1-CB 4.4Å; Y204-V314 HydrophobicContact CD1-CG2 4.04Å; Y204-V314 HydrophobicContact CE1-CG2 3.99Å
205	T	92.9	Very high	92.5	Very high	58 Å²	58	51.4 Å²	51.4	36%	0.356	25%	0.249	S	C	.	.	S	Bend	trans	-79.1	-0.6	175.1	45.2	0	0	0	0	114.1	M199 E203 P311 G312	M199-T205 HydrophobicContact CE-CG2 4.24Å; E203-T205 PolarHBondContact O-N 3.24Å; T205-P311 HydrophobicContact CG2-CB 3.86Å; T205-G312 PolarHBondContact OG1-N 3.46Å; T205-G312 VanDerWaalsContact OG1-N 3.09Å
206	R	93.6	Very high	92.5	Very high	126 Å²	126	47.9 Å²	47.9	48%	0.475	23%	0.234	S	C	.	.	S	Bend	trans	-142.1	151.6	175.2	-70.5	-178.6	175.7	-179.7	-3.9	108.7	Y204 M208 Q218	Y204-R206 WeakPolarHBondContact CB-O 3.49Å; Y204-R206 PolarHBondContact O-N 3.15Å; R206-M208 PolarHBondContact O-N 2.73Å; R206-Q218 HydrophobicContact CB-CB 4.26Å
207	P	94.1	Very high	92.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.222	C	C	.	.			trans	-64.9	129.7	173.3	-12.4	25.9	0	0	0	110.4	M209 Q218 I219 P221 P229 W230	P207-M209 HydrophobicContact CB-SD 4.44Å; P207-Q218 WeakPolarHBondContact O-CA 3.3Å; P207-I219 HydrophobicContact CB-CD1 4.2Å; P207-I219 HydrophobicContact CB-CG1 3.94Å; P207-I219 HydrophobicContact CG-CD1 4.29Å; P207-I219 HydrophobicContact CG-CG1 4.04Å; P207-I219 PolarHBondContact O-N 3.47Å; P207-I219 VanDerWaalsContact O-N 3.14Å; P207-P221 HydrophobicContact CG-CG 3.92Å; P207-P229 HydrophobicContact CG-CB 4.22Å; P207-W230 HydrophobicContact CB-CE3 4.44Å; P207-W230 HydrophobicContact CG-CD2 3.8Å; P207-W230 HydrophobicContact CG-CE3 3.84Å; P207-W230 HydrophobicContact CG-CG 4.34Å; P207-W230 HydrophobicContact CG-CH2 4.28Å; P207-W230 HydrophobicContact CG-CZ2 4.22Å; P207-W230 HydrophobicContact CG-CZ3 4.09Å
208	M	95.1	Very high	92.3	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	114.9	168.5	-177.8	69.5	91.4	0	0	108.8	Y198 Y204 R206 F216 Y217 Q218 S233 L237 Y341	Y198-M208 PolarHBondContact OH-N 3.11Å; Y204-M208 HydrophobicContact CD2-CB 3.96Å; Y204-M208 HydrophobicContact CE1-CE 4.19Å; Y204-M208 HydrophobicContact CE2-CB 3.81Å; Y204-M208 HydrophobicContact CE2-CG 4.38Å; R206-M208 PolarHBondContact O-N 2.73Å; M208-F216 HydrophobicContact CG-CD1 4.07Å; M208-F216 HydrophobicContact SD-CB 4.08Å; M208-F216 HydrophobicContact SD-CD1 4.48Å; M208-Y217 VanDerWaalsContact SD-C 3.59Å; M208-Q218 HydrophobicContact CE-CG 4.03Å; M208-Q218 HydrophobicContact SD-CG 3.89Å; M208-S233 PolarHBondContact N-OG 3.29Å; M208-S233 PolarHBondContact O-OG 2.87Å; M208-L237 HydrophobicContact CB-CD1 4.24Å; M208-Y341 HydrophobicContact CE-CD1 4.27Å; M208-Y341 HydrophobicContact CE-CD2 3.67Å; M208-Y341 HydrophobicContact CE-CE1 4.22Å; M208-Y341 HydrophobicContact CE-CE2 3.6Å; M208-Y341 HydrophobicContact CE-CG 4.02Å; M208-Y341 HydrophobicContact SD-CE2 4.26Å
209	M	94.1	Very high	92.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	137.8	179.2	-58.6	-53.4	-69.4	0	0	110.3	P207 F216 Y217 I219 Y224 E232	P207-M209 HydrophobicContact CB-SD 4.44Å; M209-F216 WeakPolarHBondContact O-CA 3.47Å; M209-Y217 HydrophobicContact CB-CD1 4.37Å; M209-Y217 HydrophobicContact CB-CD2 4.11Å; M209-Y217 HydrophobicContact CB-CE1 3.98Å; M209-Y217 HydrophobicContact CB-CE2 3.69Å; M209-Y217 HydrophobicContact CB-CG 4.42Å; M209-Y217 HydrophobicContact CG-CD2 4.32Å; M209-Y217 HydrophobicContact CG-CE2 3.83Å; M209-Y217 PolarHBondContact N-O 3.23Å; M209-Y217 PolarHBondContact O-N 3.3Å; M209-I219 HydrophobicContact CG-CB 4.46Å; M209-I219 HydrophobicContact CG-CD1 3.78Å; M209-I219 HydrophobicContact CG-CG1 3.9Å; M209-I219 HydrophobicContact CG-CG2 3.75Å; M209-I219 HydrophobicContact SD-CD1 3.57Å; M209-I219 VanDerWaalsContact SD-CD1 3.57Å; M209-I219 HydrophobicContact SD-CG1 4.16Å; M209-Y224 HydrophobicContact CE-CE1 4.41Å; M209-E232 HydrophobicContact CE-CG 3.99Å
210	H	93.1	Very high	92	Very high	36 Å²	36	46.7 Å²	46.7	17%	0.167	23%	0.232	C	C	.	.			trans	-134.8	80.2	174.1	-174.9	50.5	0	0	0	110	E212 K215 F216 Q236 L237	H210-E212 PolarHBondContact CE1-O 3.43Å; H210-E212 PolarHBondContact ND1-O 3.28Å; H210-K215 PolarHBondContact ND1-O 2.96Å; H210-F216 HydrophobicContact CB-CD1 3.95Å; H210-F216 HydrophobicContact CB-CE1 3.59Å; H210-F216 HydrophobicContact CB-CZ 4.28Å; H210-F216 AromaticContact CD2-CZ 3.98Å; H210-F216 AromaticContact CE1-CE1 3.98Å; H210-F216 AromaticContact CE1-CE2 3.6Å; H210-F216 AromaticContact CE1-CZ 3.33Å; H210-F216 WeakPolarHBondContact CE1-CZ 3.3Å; H210-F216 AromaticContact CG-CE1 3.4Å; H210-F216 AromaticContact CG-CZ 3.57Å; H210-F216 AromaticContact ND1-CD1 3.85Å; H210-F216 AromaticContact ND1-CE1 3.35Å; H210-F216 VanDerWaalsContact ND1-CE1 3.35Å; H210-F216 WeakPolarHBondContact ND1-CE1 3.37Å; H210-F216 AromaticContact ND1-CE2 3.53Å; H210-F216 AromaticContact ND1-CZ 3.16Å; H210-F216 WeakPolarHBondContact ND1-CZ 3.09Å; H210-F216 AromaticContact NE2-CZ 3.85Å; H210-Q236 HydrophobicContact CB-CB 4.37Å; H210-Q236 PolarHBondContact O-OE1 3.08Å; H210-L237 HydrophobicContact CB-CD2 3.86Å
211	P	90.6	Very high	91.7	Very high	63 Å²	63	43.8 Å²	43.8	41%	0.409	22%	0.222	S	C	.	.	S	Bend	trans	-82.8	-22.2	-176.1	33.2	-36	0	0	0	113.7	Y217	P211-Y217 HydrophobicContact CG-CE1 3.96Å
212	E	89.3	Confident	91.3	Very high	101 Å²	101	52.4 Å²	52.4	47%	0.472	26%	0.262	S	S	.	.	S	Bend	trans	-151.5	153.1	-176.6	-60.7	171.9	-129.7	0	0	109.2	H210 K215	H210-E212 PolarHBondContact CE1-O 3.43Å; H210-E212 PolarHBondContact ND1-O 3.28Å; E212-K215 HydrophobicContact CB-CD 4.11Å; E212-K215 HydrophobicContact CB-CG 4.48Å; E212-K215 HydrophobicContact CG-CD 4.5Å; E212-K215 PolarHBondContact O-N 2.96Å; E212-K215 VanDerWaalsContact O-N 3.12Å; E212-K215 IonicContact OE1-NZ 4Å; E212-K215 PolarHBondContact OE1-NZ 2.86Å; E212-K215 IonicContact OE2-NZ 3.7Å; E212-K215 PolarHBondContact OE2-NZ 3.4Å
213	P	84.8	Confident	90.7	Very high	119 Å²	119	60 Å²	60	77%	0.773	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.8	139.4	173.9	-29.3	36.6	0	0	0	113.4	K215	P213-K215 PolarHBondContact O-N 3.35Å
214	G	81.4	Confident	90.1	Very high	10 Å²	10	61.8 Å²	61.8	10%	0.103	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	3.5	-179.2	0	0	0	0	0	116.4	Y338	G214-Y338 VanDerWaalsContact O-CE2 3.31Å; G214-Y338 WeakPolarHBondContact O-CE2 3.43Å
215	K	90.4	Very high	89.5	Confident	98 Å²	98	71.1 Å²	71.1	43%	0.426	35%	0.347	S	S	.	.			trans	-107.9	116.8	174.1	-66.9	-174.4	-176.5	157.2	0	111	H210 E212 P213	H210-K215 PolarHBondContact ND1-O 2.96Å; E212-K215 HydrophobicContact CB-CD 4.11Å; E212-K215 HydrophobicContact CB-CG 4.48Å; E212-K215 HydrophobicContact CG-CD 4.5Å; E212-K215 PolarHBondContact O-N 2.96Å; E212-K215 VanDerWaalsContact O-N 3.12Å; E212-K215 IonicContact OE1-NZ 4Å; E212-K215 PolarHBondContact OE1-NZ 2.86Å; E212-K215 IonicContact OE2-NZ 3.7Å; E212-K215 PolarHBondContact OE2-NZ 3.4Å; P213-K215 PolarHBondContact O-N 3.35Å
216	F	93.5	Very high	88.8	Confident	12 Å²	12	72.5 Å²	72.5	5%	0.053	35%	0.349	C	S	.	.			trans	-132.2	141.7	174.1	-69.4	-85.2	0	0	0	110.1	M208 M209 H210 L237 L285 T305 I307 Y338 Y341	M208-F216 HydrophobicContact CG-CD1 4.07Å; M208-F216 HydrophobicContact SD-CB 4.08Å; M208-F216 HydrophobicContact SD-CD1 4.48Å; M209-F216 WeakPolarHBondContact O-CA 3.47Å; H210-F216 HydrophobicContact CB-CD1 3.95Å; H210-F216 HydrophobicContact CB-CE1 3.59Å; H210-F216 HydrophobicContact CB-CZ 4.28Å; H210-F216 AromaticContact CD2-CZ 3.98Å; H210-F216 AromaticContact CE1-CE1 3.98Å; H210-F216 AromaticContact CE1-CE2 3.6Å; H210-F216 AromaticContact CE1-CZ 3.33Å; H210-F216 WeakPolarHBondContact CE1-CZ 3.3Å; H210-F216 AromaticContact CG-CE1 3.4Å; H210-F216 AromaticContact CG-CZ 3.57Å; H210-F216 AromaticContact ND1-CD1 3.85Å; H210-F216 AromaticContact ND1-CE1 3.35Å; H210-F216 VanDerWaalsContact ND1-CE1 3.35Å; H210-F216 WeakPolarHBondContact ND1-CE1 3.37Å; H210-F216 AromaticContact ND1-CE2 3.53Å; H210-F216 AromaticContact ND1-CZ 3.16Å; H210-F216 WeakPolarHBondContact ND1-CZ 3.09Å; H210-F216 AromaticContact NE2-CZ 3.85Å; F216-L237 HydrophobicContact CE1-CD2 4.29Å; F216-L285 HydrophobicContact CE1-CD1 4.43Å; F216-L285 HydrophobicContact CZ-CD1 4.02Å; F216-T305 HydrophobicContact CE2-CG2 3.45Å; F216-T305 VanDerWaalsContact CE2-CG2 3.45Å; F216-T305 HydrophobicContact CZ-CG2 3.51Å; F216-I307 HydrophobicContact CD1-CD1 3.88Å; F216-I307 HydrophobicContact CD2-CG2 4.47Å; F216-I307 HydrophobicContact CE1-CD1 3.56Å; F216-I307 HydrophobicContact CE2-CG2 4.46Å; F216-I307 HydrophobicContact CZ-CD1 4.14Å; F216-Y338 HydrophobicContact CD2-CD1 4.04Å; F216-Y338 AromaticContact CD2-CE1 3.52Å; F216-Y338 HydrophobicContact CD2-CE1 3.52Å; F216-Y338 HydrophobicContact CD2-CE2 4.15Å; F216-Y338 AromaticContact CD2-CZ 3.59Å; F216-Y338 HydrophobicContact CE2-CD1 4.01Å; F216-Y338 AromaticContact CE2-CE1 3.96Å; F216-Y338 HydrophobicContact CE2-CE1 3.96Å; F216-Y338 HydrophobicContact CE2-CG 4.44Å; F216-Y338 HydrophobicContact CG-CE1 4.38Å; F216-Y341 HydrophobicContact CB-CE2 3.77Å; F216-Y341 PolarHBondContact O-OH 3.48Å
217	Y	92.6	Very high	88.3	Confident	95 Å²	95	71.9 Å²	71.9	37%	0.373	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	145	171.9	55.5	-83	0	0	0	111.5	M208 M209 P211 I219	M208-Y217 VanDerWaalsContact SD-C 3.59Å; M209-Y217 HydrophobicContact CB-CD1 4.37Å; M209-Y217 HydrophobicContact CB-CD2 4.11Å; M209-Y217 HydrophobicContact CB-CE1 3.98Å; M209-Y217 HydrophobicContact CB-CE2 3.69Å; M209-Y217 HydrophobicContact CB-CG 4.42Å; M209-Y217 HydrophobicContact CG-CD2 4.32Å; M209-Y217 HydrophobicContact CG-CE2 3.83Å; M209-Y217 PolarHBondContact N-O 3.23Å; M209-Y217 PolarHBondContact O-N 3.3Å; P211-Y217 HydrophobicContact CG-CE1 3.96Å; Y217-I219 HydrophobicContact CD2-CG2 3.66Å; Y217-I219 HydrophobicContact CE2-CG2 3.53Å
218	Q	91.7	Very high	88.2	Confident	60 Å²	60	72.3 Å²	72.3	28%	0.28	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	132.9	172.3	-67.7	-173.8	4.8	0	0	111.4	R206 P207 M208	R206-Q218 HydrophobicContact CB-CB 4.26Å; P207-Q218 WeakPolarHBondContact O-CA 3.3Å; M208-Q218 HydrophobicContact CE-CG 4.03Å; M208-Q218 HydrophobicContact SD-CG 3.89Å
219	I	92.8	Very high	88.1	Confident	15 Å²	15	72.6 Å²	72.6	8%	0.077	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-101.2	156.9	177.4	54.1	170.2	0	0	0	112.6	P207 M209 Y217 P221 Y224 P229	P207-I219 HydrophobicContact CB-CD1 4.2Å; P207-I219 HydrophobicContact CB-CG1 3.94Å; P207-I219 HydrophobicContact CG-CD1 4.29Å; P207-I219 HydrophobicContact CG-CG1 4.04Å; P207-I219 PolarHBondContact O-N 3.47Å; P207-I219 VanDerWaalsContact O-N 3.14Å; M209-I219 HydrophobicContact CG-CB 4.46Å; M209-I219 HydrophobicContact CG-CD1 3.78Å; M209-I219 HydrophobicContact CG-CG1 3.9Å; M209-I219 HydrophobicContact CG-CG2 3.75Å; M209-I219 HydrophobicContact SD-CD1 3.57Å; M209-I219 VanDerWaalsContact SD-CD1 3.57Å; M209-I219 HydrophobicContact SD-CG1 4.16Å; Y217-I219 HydrophobicContact CD2-CG2 3.66Å; Y217-I219 HydrophobicContact CE2-CG2 3.53Å; I219-P221 WeakPolarHBondContact O-CD 3.28Å; I219-Y224 HydrophobicContact CB-CD2 4.23Å; I219-Y224 HydrophobicContact CD1-CD1 3.78Å; I219-Y224 HydrophobicContact CD1-CD2 3.79Å; I219-Y224 HydrophobicContact CD1-CE1 4.04Å; I219-Y224 HydrophobicContact CD1-CE2 4.06Å; I219-Y224 HydrophobicContact CD1-CG 3.64Å; I219-Y224 HydrophobicContact CG2-CD2 3.99Å; I219-Y224 HydrophobicContact CG2-CE2 3.97Å; I219-P229 HydrophobicContact CD1-CB 3.58Å
220	N	91.1	Very high	88.1	Confident	48 Å²	48	73.1 Å²	73.1	26%	0.257	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-84.4	116.8	162.2	-174.6	5.2	0	0	0	109.3	E222 E223 Y224	N220-E222 PolarHBondContact O-N 3.24Å; N220-E222 VanDerWaalsContact O-N 3.11Å; N220-E222 PolarHBondContact OD1-N 3.44Å; N220-E223 HydrophobicContact CB-CB 4.27Å; N220-E223 HydrophobicContact CB-CG 4.3Å; N220-E223 VanDerWaalsContact ND2-CD 3.3Å; N220-E223 PolarHBondContact ND2-OE1 3.16Å; N220-E223 PolarHBondContact O-N 3.26Å; N220-E223 VanDerWaalsContact O-N 3.15Å; N220-Y224 PolarHBondContact O-N 3.07Å
221	P	86.6	Confident	88.2	Confident	39 Å²	39	73.1 Å²	73.1	25%	0.253	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-20.2	179.3	-25.5	35.6	0	0	0	115.3	P207 I219 P229 W230	P207-P221 HydrophobicContact CG-CG 3.92Å; I219-P221 WeakPolarHBondContact O-CD 3.28Å; P221-P229 HydrophobicContact CB-CG 3.95Å; P221-W230 HydrophobicContact CG-CZ2 3.69Å
222	E	83.6	Confident	88.3	Confident	183 Å²	183	72.3 Å²	72.3	86%	0.855	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-13.6	-178.8	-61.8	-178.7	-173.3	0	0	113.2	N220	N220-E222 PolarHBondContact O-N 3.24Å; N220-E222 VanDerWaalsContact O-N 3.11Å; N220-E222 PolarHBondContact OD1-N 3.44Å
223	E	83.4	Confident	88.6	Confident	158 Å²	158	67.5 Å²	67.5	74%	0.738	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	-5	-177.2	-68.3	164.2	-150	0	0	112.9	N220	N220-E223 HydrophobicContact CB-CB 4.27Å; N220-E223 HydrophobicContact CB-CG 4.3Å; N220-E223 VanDerWaalsContact ND2-CD 3.3Å; N220-E223 PolarHBondContact ND2-OE1 3.16Å; N220-E223 PolarHBondContact O-N 3.26Å; N220-E223 VanDerWaalsContact O-N 3.15Å
224	Y	82.9	Confident	89.1	Confident	77 Å²	77	62 Å²	62	30%	0.302	30%	0.299	S	S	.	.			trans	-93	136.9	-172.8	-156.7	-108.7	0	0	0	112.2	M209 I219 N220 H226 P229	M209-Y224 HydrophobicContact CE-CE1 4.41Å; I219-Y224 HydrophobicContact CB-CD2 4.23Å; I219-Y224 HydrophobicContact CD1-CD1 3.78Å; I219-Y224 HydrophobicContact CD1-CD2 3.79Å; I219-Y224 HydrophobicContact CD1-CE1 4.04Å; I219-Y224 HydrophobicContact CD1-CE2 4.06Å; I219-Y224 HydrophobicContact CD1-CG 3.64Å; I219-Y224 HydrophobicContact CG2-CD2 3.99Å; I219-Y224 HydrophobicContact CG2-CE2 3.97Å; N220-Y224 PolarHBondContact O-N 3.07Å; Y224-H226 VanDerWaalsContact C-N 3.33Å; Y224-H226 HydrophobicContact CD1-CB 3.78Å; Y224-H226 HydrophobicContact CE1-CB 3.76Å; Y224-H226 PolarHBondContact O-N 2.61Å; Y224-P229 HydrophobicContact CD1-CB 4Å
225	E	81.2	Confident	89.6	Confident	196 Å²	196	69 Å²	69	92%	0.916	33%	0.329	S	S	*	.	S	Bend	trans	-71.5	-22.2	-173.1	-63.2	-165.6	151.1	0	0	114.5
226	H	79.9	Confident	89.7	Confident	87 Å²	87	66.8 Å²	66.8	40%	0.403	32%	0.321	S	S	.	.	S	Bend	trans	-77.4	133.2	-175.2	-173.4	-121	0	0	0	112.2	Y224 N228 P229 E232	Y224-H226 VanDerWaalsContact C-N 3.33Å; Y224-H226 HydrophobicContact CD1-CB 3.78Å; Y224-H226 HydrophobicContact CE1-CB 3.76Å; Y224-H226 PolarHBondContact O-N 2.61Å; H226-N228 PolarHBondContact ND1-O 3.03Å; H226-N228 PolarHBondContact O-N 3.03Å; H226-P229 WeakPolarHBondContact O-CD 3.29Å; H226-E232 WeakPolarHBondContact CB-OE2 3.36Å; H226-E232 IonicContact CE1-OE2 2.66Å; H226-E232 IonicContact CG-OE2 2.71Å; H226-E232 IonicContact ND1-OE2 3.67Å; H226-E232 PolarHBondContact ND1-OE2 3.42Å
227	P	81.8	Confident	89.7	Confident	113 Å²	113	66.3 Å²	66.3	73%	0.734	32%	0.318	S	S	*	.	S	Bend	trans	-61.6	-19.7	-171.8	-28.2	36.9	0	0	0	116.8
228	N	91.9	Very high	89.5	Confident	8 Å²	8	63.8 Å²	63.8	4%	0.043	31%	0.309	C	S	.	.			trans	-146.8	90.7	171.1	-173.1	-22.4	0	0	0	110.4	N189 H226 W230 K231 E232	N189-N228 PolarHBondContact O-ND2 3.41Å; H226-N228 PolarHBondContact ND1-O 3.03Å; H226-N228 PolarHBondContact O-N 3.03Å; N228-W230 VanDerWaalsContact C-N 3.29Å; N228-W230 PolarHBondContact O-N 3.32Å; N228-W230 WeakPolarHBondContact OD1-CB 3.43Å; N228-W230 PolarHBondContact OD1-N 3.14Å; N228-K231 HydrophobicContact CB-CB 4.2Å; N228-K231 PolarHBondContact O-N 3.03Å; N228-K231 PolarHBondContact OD1-N 3.42Å; N228-E232 PolarHBondContact O-N 3.1Å
229	P	93.4	Very high	89.3	Confident	7 Å²	7	65.8 Å²	65.8	5%	0.045	32%	0.316	C	S	.	.	H	α-helix	trans	-68.9	-26.9	-179.5	25.7	-32.5	0	0	0	112.9	P207 I219 P221 Y224 H226 E232 S233	P207-P229 HydrophobicContact CG-CB 4.22Å; I219-P229 HydrophobicContact CD1-CB 3.58Å; P221-P229 HydrophobicContact CB-CG 3.95Å; Y224-P229 HydrophobicContact CD1-CB 4Å; H226-P229 WeakPolarHBondContact O-CD 3.29Å; P229-E232 PolarHBondContact O-N 2.94Å; P229-S233 VanDerWaalsContact O-CB 3.28Å; P229-S233 WeakPolarHBondContact O-CB 3.08Å; P229-S233 PolarHBondContact O-N 2.73Å
230	W	95.2	Very high	89.2	Confident	11 Å²	11	65.1 Å²	65.1	4%	0.042	31%	0.313	C	S	.	.	H	α-helix	trans	-64.8	-42.8	177.2	-60.1	96.5	0	0	0	111.3	W194 K195 Y198 P207 P221 N228 F234	W194-W230 HydrophobicContact CB-CB 3.91Å; K195-W230 HydrophobicContact CB-CD2 3.74Å; K195-W230 HydrophobicContact CB-CE3 4.24Å; K195-W230 HydrophobicContact CB-CG 3.96Å; K195-W230 HydrophobicContact CB-CZ2 4.25Å; K195-W230 HydrophobicContact CD-CH2 4.02Å; K195-W230 HydrophobicContact CD-CZ2 3.49Å; K195-W230 VanDerWaalsContact CD-CZ2 3.49Å; K195-W230 HydrophobicContact CG-CD2 3.97Å; K195-W230 HydrophobicContact CG-CE3 4.16Å; K195-W230 HydrophobicContact CG-CH2 3.86Å; K195-W230 HydrophobicContact CG-CZ2 3.66Å; K195-W230 HydrophobicContact CG-CZ3 4.11Å; Y198-W230 AromaticContact CD1-CE3 3.5Å; Y198-W230 HydrophobicContact CD1-CE3 3.5Å; Y198-W230 VanDerWaalsContact CD1-CE3 3.5Å; Y198-W230 AromaticContact CD1-CZ3 3.61Å; Y198-W230 HydrophobicContact CD1-CZ3 3.61Å; Y198-W230 HydrophobicContact CE1-CE3 4.1Å; Y198-W230 HydrophobicContact CE1-CZ3 4.04Å; Y198-W230 AromaticContact CG-CE3 3.83Å; Y198-W230 HydrophobicContact CG-CE3 3.83Å; Y198-W230 HydrophobicContact CG-CZ3 4.39Å; P207-W230 HydrophobicContact CB-CE3 4.44Å; P207-W230 HydrophobicContact CG-CD2 3.8Å; P207-W230 HydrophobicContact CG-CE3 3.84Å; P207-W230 HydrophobicContact CG-CG 4.34Å; P207-W230 HydrophobicContact CG-CH2 4.28Å; P207-W230 HydrophobicContact CG-CZ2 4.22Å; P207-W230 HydrophobicContact CG-CZ3 4.09Å; P221-W230 HydrophobicContact CG-CZ2 3.69Å; N228-W230 VanDerWaalsContact C-N 3.29Å; N228-W230 PolarHBondContact O-N 3.32Å; N228-W230 WeakPolarHBondContact OD1-CB 3.43Å; N228-W230 PolarHBondContact OD1-N 3.14Å; W230-F234 VanDerWaalsContact O-CB 3.3Å; W230-F234 WeakPolarHBondContact O-CB 3.36Å; W230-F234 PolarHBondContact O-N 3.32Å
231	K	94.6	Very high	89.3	Confident	36 Å²	36	62.8 Å²	62.8	16%	0.157	30%	0.3	C	S	.	.	H	α-helix	trans	-67.3	-41	176.6	-178.8	170.4	-176.9	163.4	0	112.6	N189 W194 N228 F234 Q235	N189-K231 VanDerWaalsContact OD1-CD 3.25Å; N189-K231 WeakPolarHBondContact OD1-CD 3.31Å; N189-K231 PolarHBondContact OD1-NZ 3.31Å; W194-K231 HydrophobicContact CB-CB 4.44Å; W194-K231 HydrophobicContact CD2-CB 3.65Å; W194-K231 HydrophobicContact CD2-CD 4.11Å; W194-K231 HydrophobicContact CD2-CG 3.83Å; W194-K231 HydrophobicContact CE3-CB 3.85Å; W194-K231 HydrophobicContact CE3-CG 3.9Å; W194-K231 HydrophobicContact CG-CB 3.9Å; W194-K231 HydrophobicContact CH2-CD 4.25Å; W194-K231 HydrophobicContact CH2-CG 4.04Å; W194-K231 HydrophobicContact CZ2-CD 3.73Å; W194-K231 HydrophobicContact CZ2-CG 3.97Å; W194-K231 HydrophobicContact CZ3-CB 4.44Å; W194-K231 HydrophobicContact CZ3-CG 4Å; N228-K231 HydrophobicContact CB-CB 4.2Å; N228-K231 PolarHBondContact O-N 3.03Å; N228-K231 PolarHBondContact OD1-N 3.42Å; K231-F234 WeakPolarHBondContact O-CB 3.37Å; K231-F234 PolarHBondContact O-N 2.86Å; K231-Q235 PolarHBondContact O-N 3.44Å
232	E	93.1	Very high	89.7	Confident	45 Å²	45	61 Å²	61	21%	0.21	29%	0.288	C	S	.	.	H	α-helix	trans	-64.7	-48.4	179.1	-172.2	-173.6	173.9	0	0	111.8	M209 H226 N228 P229 F234 Q235 Q236	M209-E232 HydrophobicContact CE-CG 3.99Å; H226-E232 WeakPolarHBondContact CB-OE2 3.36Å; H226-E232 IonicContact CE1-OE2 2.66Å; H226-E232 IonicContact CG-OE2 2.71Å; H226-E232 IonicContact ND1-OE2 3.67Å; H226-E232 PolarHBondContact ND1-OE2 3.42Å; N228-E232 PolarHBondContact O-N 3.1Å; P229-E232 PolarHBondContact O-N 2.94Å; E232-F234 PolarHBondContact O-N 3.21Å; E232-Q235 WeakPolarHBondContact O-CB 3.16Å; E232-Q235 PolarHBondContact O-N 2.83Å; E232-Q236 WeakPolarHBondContact O-CG 3.46Å; E232-Q236 PolarHBondContact O-N 3.47Å
233	S	95.1	Very high	90.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.5	-44	172.1	175.3	0	0	0	0	111.5	Y198 M208 P229 Q235 Q236 L237	Y198-S233 WeakPolarHBondContact CE2-OG 3.41Å; Y198-S233 VanDerWaalsContact CZ-OG 3.23Å; Y198-S233 PolarHBondContact OH-OG 3.44Å; M208-S233 PolarHBondContact N-OG 3.29Å; M208-S233 PolarHBondContact O-OG 2.87Å; P229-S233 VanDerWaalsContact O-CB 3.28Å; P229-S233 WeakPolarHBondContact O-CB 3.08Å; P229-S233 PolarHBondContact O-N 2.73Å; S233-Q235 VanDerWaalsContact C-N 3.28Å; S233-Q235 PolarHBondContact O-N 2.35Å; S233-Q236 PolarHBondContact O-N 3.03Å; S233-Q236 VanDerWaalsContact O-N 3.16Å; S233-L237 WeakPolarHBondContact O-CB 3.45Å; S233-L237 VanDerWaalsContact O-CG 3.3Å; S233-L237 WeakPolarHBondContact O-CG 3.33Å; S233-L237 PolarHBondContact O-N 3.34Å
234	F	94.4	Very high	90.9	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-56.3	-43.4	174.6	-156.2	-67.2	0	0	0	111.4	E171 W194 L197 Y198 V201 F202 W230 K231 E232 L237 Y238	E171-F234 HydrophobicContact CB-CD1 4.36Å; E171-F234 HydrophobicContact CB-CE1 3.78Å; E171-F234 HydrophobicContact CB-CZ 4.07Å; E171-F234 HydrophobicContact CG-CE1 3.61Å; E171-F234 HydrophobicContact CG-CZ 3.96Å; W194-F234 HydrophobicContact CE3-CB 4.15Å; W194-F234 HydrophobicContact CE3-CD2 4.28Å; W194-F234 HydrophobicContact CE3-CG 4.22Å; W194-F234 HydrophobicContact CZ3-CB 4.04Å; W194-F234 HydrophobicContact CZ3-CD1 4.18Å; W194-F234 HydrophobicContact CZ3-CD2 4.24Å; W194-F234 AromaticContact CZ3-CG 3.9Å; W194-F234 HydrophobicContact CZ3-CG 3.9Å; L197-F234 HydrophobicContact CD2-CE2 4.12Å; L197-F234 HydrophobicContact CD2-CZ 4.37Å; L197-F234 HydrophobicContact CG-CE2 3.87Å; L197-F234 HydrophobicContact CG-CZ 4.34Å; Y198-F234 HydrophobicContact CD2-CB 4Å; Y198-F234 AromaticContact CD2-CD2 3.86Å; Y198-F234 HydrophobicContact CD2-CD2 3.86Å; Y198-F234 HydrophobicContact CD2-CG 4.33Å; Y198-F234 HydrophobicContact CG-CD2 4.44Å; V201-F234 HydrophobicContact CB-CE2 4.19Å; V201-F234 HydrophobicContact CB-CZ 4.41Å; V201-F234 HydrophobicContact CG1-CZ 4.45Å; V201-F234 HydrophobicContact CG2-CE2 4.01Å; V201-F234 HydrophobicContact CG2-CZ 3.97Å; F202-F234 HydrophobicContact CE2-CD1 4.42Å; F202-F234 AromaticContact CE2-CD2 3.82Å; F202-F234 HydrophobicContact CE2-CD2 3.82Å; F202-F234 AromaticContact CE2-CE2 3.98Å; F202-F234 HydrophobicContact CE2-CE2 3.98Å; F202-F234 HydrophobicContact CE2-CG 4.04Å; F202-F234 HydrophobicContact CE2-CZ 4.36Å; W230-F234 VanDerWaalsContact O-CB 3.3Å; W230-F234 WeakPolarHBondContact O-CB 3.36Å; W230-F234 PolarHBondContact O-N 3.32Å; K231-F234 WeakPolarHBondContact O-CB 3.37Å; K231-F234 PolarHBondContact O-N 2.86Å; E232-F234 PolarHBondContact O-N 3.21Å; F234-L237 PolarHBondContact O-N 3.13Å; F234-Y238 HydrophobicContact CD1-CD2 4.26Å; F234-Y238 AromaticContact CE1-CD2 3.7Å; F234-Y238 HydrophobicContact CE1-CD2 3.7Å; F234-Y238 HydrophobicContact CE1-CE2 4.27Å; F234-Y238 WeakPolarHBondContact O-CB 3.17Å; F234-Y238 PolarHBondContact O-N 2.91Å
235	Q	92.3	Very high	91.2	Very high	156 Å²	156	46.8 Å²	46.8	73%	0.729	23%	0.231	S	C	*	.	H	α-helix	trans	-64.9	-37.8	178.6	180	-179.5	-23.2	0	0	112.8	K231 E232 S233 L237	K231-Q235 PolarHBondContact O-N 3.44Å; E232-Q235 WeakPolarHBondContact O-CB 3.16Å; E232-Q235 PolarHBondContact O-N 2.83Å; S233-Q235 VanDerWaalsContact C-N 3.28Å; S233-Q235 PolarHBondContact O-N 2.35Å; Q235-L237 VanDerWaalsContact C-N 3.32Å
236	Q	92.5	Very high	91.6	Very high	53 Å²	53	40.6 Å²	40.6	25%	0.248	22%	0.22	C	C	.	.	H	α-helix	trans	-69.4	-29.6	177.3	-70.5	167.5	6.4	0	0	112.5	H210 E232 S233	H210-Q236 HydrophobicContact CB-CB 4.37Å; H210-Q236 PolarHBondContact O-OE1 3.08Å; E232-Q236 WeakPolarHBondContact O-CG 3.46Å; E232-Q236 PolarHBondContact O-N 3.47Å; S233-Q236 PolarHBondContact O-N 3.03Å; S233-Q236 VanDerWaalsContact O-N 3.16Å
237	L	93	Very high	92.2	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-103	-3.6	-172.8	-63	-177	0	0	0	114.6	Y198 F202 M208 H210 F216 S233 F234 Q235 K239 G240 L285 F287	Y198-L237 HydrophobicContact CE2-CD1 4.14Å; Y198-L237 WeakPolarHBondContact OH-CD1 3.12Å; F202-L237 HydrophobicContact CD1-CB 4.4Å; F202-L237 HydrophobicContact CD1-CD1 4.33Å; F202-L237 HydrophobicContact CE1-CB 3.65Å; F202-L237 HydrophobicContact CE1-CD1 4.37Å; F202-L237 HydrophobicContact CE2-CB 4.23Å; F202-L237 HydrophobicContact CG-CD1 4.47Å; F202-L237 HydrophobicContact CZ-CB 3.54Å; M208-L237 HydrophobicContact CB-CD1 4.24Å; H210-L237 HydrophobicContact CB-CD2 3.86Å; F216-L237 HydrophobicContact CE1-CD2 4.29Å; S233-L237 WeakPolarHBondContact O-CB 3.45Å; S233-L237 VanDerWaalsContact O-CG 3.3Å; S233-L237 WeakPolarHBondContact O-CG 3.33Å; S233-L237 PolarHBondContact O-N 3.34Å; F234-L237 PolarHBondContact O-N 3.13Å; Q235-L237 VanDerWaalsContact C-N 3.32Å; L237-K239 PolarHBondContact O-N 3.39Å; L237-G240 PolarHBondContact O-N 3.21Å; L237-L285 HydrophobicContact CD2-CD2 4.12Å; L237-F287 HydrophobicContact CB-CZ 3.75Å; L237-F287 HydrophobicContact CD1-CE1 4.21Å; L237-F287 HydrophobicContact CD1-CZ 4.25Å; L237-F287 HydrophobicContact CD2-CE1 4.17Å; L237-F287 HydrophobicContact CD2-CZ 3.87Å; L237-F287 HydrophobicContact CG-CZ 4.14Å
238	Y	89.6	Confident	92.5	Very high	43 Å²	43	33.6 Å²	33.6	17%	0.169	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.9	-164.3	-179	-130.1	0	0	0	116.7	E171 Q172 F234 G260 N263 M264	E171-Y238 HydrophobicContact CG-CD2 4.34Å; E171-Y238 HydrophobicContact CG-CE2 3.72Å; Q172-Y238 PolarHBondContact NE2-OH 3.46Å; F234-Y238 HydrophobicContact CD1-CD2 4.26Å; F234-Y238 AromaticContact CE1-CD2 3.7Å; F234-Y238 HydrophobicContact CE1-CD2 3.7Å; F234-Y238 HydrophobicContact CE1-CE2 4.27Å; F234-Y238 WeakPolarHBondContact O-CB 3.17Å; F234-Y238 PolarHBondContact O-N 2.91Å; Y238-G260 PolarHBondContact OH-O 2.86Å; Y238-N263 HydrophobicContact CE1-CB 4.5Å; Y238-M264 HydrophobicContact CD2-CG 4.28Å; Y238-M264 HydrophobicContact CD2-SD 3.99Å; Y238-M264 HydrophobicContact CE2-CG 4.15Å; Y238-M264 HydrophobicContact CE2-SD 3.74Å; Y238-M264 VanDerWaalsContact O-CG 3.29Å; Y238-M264 WeakPolarHBondContact O-CG 3.3Å
239	K	86.5	Confident	92.3	Very high	102 Å²	102	40.7 Å²	40.7	44%	0.443	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-12.6	-172	-80.9	-173.7	170.2	-162.7	0	115.3	L237 D283	L237-K239 PolarHBondContact O-N 3.39Å; K239-D283 WeakPolarHBondContact CB-OD2 3.32Å; K239-D283 HydrophobicContact CD-CB 4.2Å; K239-D283 WeakPolarHBondContact CD-OD2 3.3Å
240	G	90.6	Very high	92	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.			trans	-65.1	149.5	-174.1	0	0	0	0	0	112.4	L237 H242 L285	L237-G240 PolarHBondContact O-N 3.21Å; G240-H242 PolarHBondContact O-CD2 3.22Å; G240-H242 VanDerWaalsContact O-CD2 3.26Å; G240-L285 CarbonylContact C-O 3.57Å; G240-L285 WeakPolarHBondContact CA-O 3.33Å
241	A	93.3	Very high	91.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	151.4	166.6	0	0	0	0	0	110.7	L265 Y267 F282 L285 I286 F287	A241-L265 CarbonylContact C-O 3.53Å; A241-L265 WeakPolarHBondContact CA-O 3.16Å; A241-L265 HydrophobicContact CB-CB 4.29Å; A241-Y267 HydrophobicContact CB-CD2 4.08Å; A241-Y267 HydrophobicContact CB-CE2 3.74Å; A241-F282 HydrophobicContact CB-CD2 4.19Å; A241-F282 HydrophobicContact CB-CE2 3.83Å; A241-L285 PolarHBondContact N-O 2.63Å; A241-I286 HydrophobicContact CB-CG1 4.47Å; A241-I286 CarbonylContact O-C 3.47Å; A241-I286 WeakPolarHBondContact O-CA 3.39Å; A241-F287 WeakPolarHBondContact O-CD2 3.39Å; A241-F287 PolarHBondContact O-N 3.01Å
242	H	95.3	Very high	91.4	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	106	-179.4	-71.9	-100.1	0	0	0	109.8	V201 F202 G240 K244 M264 L265 Y266 Y267 F287 H289	V201-H242 PolarHBondContact O-CE1 2.89Å; F202-H242 AromaticContact CD1-CE1 3.76Å; F202-H242 AromaticContact CE1-CE1 3.73Å; F202-H242 AromaticContact CE1-NE2 3.97Å; G240-H242 PolarHBondContact O-CD2 3.22Å; G240-H242 VanDerWaalsContact O-CD2 3.26Å; H242-K244 PolarHBondContact O-N 2.67Å; H242-M264 WeakPolarHBondContact NE2-CE 3.08Å; H242-L265 PolarHBondContact N-O 2.9Å; H242-Y266 HydrophobicContact CB-CD1 3.37Å; H242-Y266 HydrophobicContact CB-CE1 3.3Å; H242-Y266 HydrophobicContact CB-CG 4.13Å; H242-Y266 AromaticContact CG-CE1 3.65Å; H242-Y266 AromaticContact CG-CZ 3.93Å; H242-Y266 WeakPolarHBondContact O-CA 2.92Å; H242-Y267 PolarHBondContact O-N 2.82Å; H242-F287 AromaticContact CE1-CD2 3.7Å; H242-F287 AromaticContact ND1-CD2 3.99Å; H242-F287 AromaticContact NE2-CD2 3.84Å; H242-H289 AromaticContact ND1-CD2 3.93Å; H242-H289 AromaticContact ND1-NE2 3.79Å
243	V	96.3	Very high	91.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	114.1	169	179.7	0	0	0	0	108	Y267 T269 I270 A273 I286 F287 H289 Y293	V243-Y267 WeakPolarHBondContact CA-O 3.35Å; V243-T269 VanDerWaalsContact CG1-C 3.47Å; V243-T269 WeakPolarHBondContact CG1-O 3.37Å; V243-I270 HydrophobicContact CG1-CG1 3.89Å; V243-I270 HydrophobicContact CG2-CG1 4.37Å; V243-A273 HydrophobicContact CG2-CB 3.6Å; V243-I286 HydrophobicContact CG2-CG2 3.74Å; V243-F287 PolarHBondContact N-O 2.85Å; V243-H289 WeakPolarHBondContact O-CB 3.3Å; V243-H289 PolarHBondContact O-CD2 2.83Å; V243-H289 VanDerWaalsContact O-CD2 3.3Å; V243-H289 PolarHBondContact O-N 3.47Å; V243-Y293 HydrophobicContact CG1-CD1 4.43Å; V243-Y293 HydrophobicContact CG1-CE1 3.68Å
244	K	95.2	Very high	90.9	Very high	44 Å²	44	52.2 Å²	52.2	19%	0.191	27%	0.271	C	S	.	.			trans	-151.7	92.3	-174.7	-169.4	165.8	-175.6	147.2	0	111.1	E203 H242 G246 F247 Y267 H289	E203-K244 IonicContact OE1-NZ 2.87Å; E203-K244 PolarHBondContact OE1-NZ 3.12Å; H242-K244 PolarHBondContact O-N 2.67Å; K244-G246 PolarHBondContact O-N 3.01Å; K244-F247 HydrophobicContact CB-CB 4.05Å; K244-F247 HydrophobicContact CD-CB 4.09Å; K244-F247 HydrophobicContact CD-CD1 4.4Å; K244-F247 HydrophobicContact CD-CG 4.09Å; K244-F247 HydrophobicContact CG-CB 3.79Å; K244-F247 HydrophobicContact CG-CG 4.35Å; K244-F247 VanDerWaalsContact O-CB 3.28Å; K244-F247 WeakPolarHBondContact O-CB 3.41Å; K244-F247 PolarHBondContact O-N 3.2Å; K244-Y267 PolarHBondContact N-O 2.94Å; K244-H289 HydrophobicContact CB-CB 4.08Å; K244-H289 HydrophobicContact CD-CB 4.16Å; K244-H289 HydrophobicContact CG-CB 3.93Å
245	P	90.8	Very high	90.5	Very high	77 Å²	77	56.4 Å²	56.4	50%	0.5	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	126.1	-172.5	-28	33	0	0	0	114.3	F247 D268 Y293	P245-F247 VanDerWaalsContact C-N 3.33Å; P245-D268 WeakPolarHBondContact CG-O 3.48Å; P245-Y293 WeakPolarHBondContact CD-OH 3.44Å; P245-Y293 HydrophobicContact CG-CD1 4.31Å; P245-Y293 HydrophobicContact CG-CE1 3.52Å
246	G	89.5	Confident	90.2	Very high	66 Å²	66	53.6 Å²	53.6	68%	0.68	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	11.2	180	0	0	0	0	0	114.4	K244 D268	K244-G246 PolarHBondContact O-N 3.01Å; G246-D268 WeakPolarHBondContact CA-OD1 3.49Å; G246-D268 PolarHBondContact N-OD1 2.94Å
247	F	91.2	Very high	89.8	Confident	44 Å²	44	57.8 Å²	57.8	19%	0.193	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-23.6	178.4	-170.6	-93.8	0	0	0	113.3	K244 P245 E249 H250 F251 Y266 D268	K244-F247 HydrophobicContact CB-CB 4.05Å; K244-F247 HydrophobicContact CD-CB 4.09Å; K244-F247 HydrophobicContact CD-CD1 4.4Å; K244-F247 HydrophobicContact CD-CG 4.09Å; K244-F247 HydrophobicContact CG-CB 3.79Å; K244-F247 HydrophobicContact CG-CG 4.35Å; K244-F247 VanDerWaalsContact O-CB 3.28Å; K244-F247 WeakPolarHBondContact O-CB 3.41Å; K244-F247 PolarHBondContact O-N 3.2Å; P245-F247 VanDerWaalsContact C-N 3.33Å; F247-E249 PolarHBondContact O-N 3.23Å; F247-H250 AromaticContact CE2-CD2 3.88Å; F247-H250 WeakPolarHBondContact O-CB 3.47Å; F247-H250 PolarHBondContact O-N 3.02Å; F247-H250 VanDerWaalsContact O-N 3.12Å; F247-F251 HydrophobicContact CD1-CB 4.17Å; F247-F251 HydrophobicContact CE1-CB 3.89Å; F247-F251 HydrophobicContact CE1-CD2 4.08Å; F247-F251 HydrophobicContact CE1-CG 4.35Å; F247-F251 PolarHBondContact O-N 3.26Å; F247-Y266 AromaticContact CD1-CD1 3.4Å; F247-Y266 HydrophobicContact CD1-CD1 3.4Å; F247-Y266 VanDerWaalsContact CD1-CD1 3.4Å; F247-Y266 AromaticContact CD1-CE1 3.65Å; F247-Y266 HydrophobicContact CD1-CE1 3.65Å; F247-Y266 AromaticContact CD1-CG 3.97Å; F247-Y266 HydrophobicContact CD1-CG 3.97Å; F247-Y266 AromaticContact CE1-CD1 3.67Å; F247-Y266 HydrophobicContact CE1-CD1 3.67Å; F247-Y266 HydrophobicContact CE1-CD2 4.37Å; F247-Y266 AromaticContact CE1-CE1 3.51Å; F247-Y266 HydrophobicContact CE1-CE1 3.51Å; F247-Y266 HydrophobicContact CE1-CE2 4.22Å; F247-Y266 HydrophobicContact CE1-CG 4.1Å; F247-Y266 AromaticContact CE1-CZ 3.81Å; F247-D268 PolarHBondContact N-OD1 2.76Å; F247-D268 VanDerWaalsContact N-OD1 3.1Å
248	A	88.1	Confident	89.5	Confident	9 Å²	9	58.5 Å²	58.5	7%	0.074	32%	0.318	C	S	.	.	H	α-helix	trans	-61.6	-46.8	-178.2	0	0	0	0	0	111.4	H250 F251 Y252 D268	A248-H250 VanDerWaalsContact C-N 3.31Å; A248-H250 PolarHBondContact O-N 3.28Å; A248-F251 PolarHBondContact O-N 2.69Å; A248-Y252 HydrophobicContact CB-CD2 4.35Å; A248-Y252 HydrophobicContact CB-CE2 4.08Å; A248-Y252 WeakPolarHBondContact O-CD2 3.39Å; A248-Y252 PolarHBondContact O-N 3.03Å; A248-D268 WeakPolarHBondContact CB-OD2 3.42Å; A248-D268 PolarHBondContact N-OD1 3.42Å; A248-D268 VanDerWaalsContact N-OD1 3.08Å
249	E	88	Confident	89.2	Confident	157 Å²	157	63.6 Å²	63.6	73%	0.734	34%	0.341	S	S	*	.	H	α-helix	trans	-56.5	-43.4	173.2	-172	-175.4	-164.5	0	0	111.7	F247 F251 S253	F247-E249 PolarHBondContact O-N 3.23Å; E249-F251 PolarHBondContact O-N 3.44Å; E249-S253 WeakPolarHBondContact O-CB 3.41Å; E249-S253 PolarHBondContact O-N 3.45Å; E249-S253 PolarHBondContact O-OG 2.86Å
250	H	88	Confident	88.9	Confident	74 Å²	74	59 Å²	59	34%	0.343	32%	0.323	S	S	.	.	H	α-helix	trans	-63.9	-40.2	179.2	-175.6	68	0	0	0	112.6	F247 A248 S253 N254 Y258	F247-H250 AromaticContact CE2-CD2 3.88Å; F247-H250 WeakPolarHBondContact O-CB 3.47Å; F247-H250 PolarHBondContact O-N 3.02Å; F247-H250 VanDerWaalsContact O-N 3.12Å; A248-H250 VanDerWaalsContact C-N 3.31Å; A248-H250 PolarHBondContact O-N 3.28Å; H250-S253 PolarHBondContact O-OG 2.82Å; H250-N254 WeakPolarHBondContact O-CB 3.19Å; H250-N254 PolarHBondContact O-ND2 2.81Å; H250-Y258 PolarHBondContact NE2-OH 2.67Å
251	F	88.5	Confident	88.7	Confident	16 Å²	16	59.4 Å²	59.4	7%	0.07	32%	0.324	C	S	.	.	H	α-helix	trans	-66.6	-56.4	179.4	-176.5	-103.5	0	0	0	111.4	F247 A248 E249 S253 N254 Y258 R261 Y266	F247-F251 HydrophobicContact CD1-CB 4.17Å; F247-F251 HydrophobicContact CE1-CB 3.89Å; F247-F251 HydrophobicContact CE1-CD2 4.08Å; F247-F251 HydrophobicContact CE1-CG 4.35Å; F247-F251 PolarHBondContact O-N 3.26Å; A248-F251 PolarHBondContact O-N 2.69Å; E249-F251 PolarHBondContact O-N 3.44Å; F251-S253 VanDerWaalsContact C-N 3.34Å; F251-S253 PolarHBondContact O-N 2.77Å; F251-N254 PolarHBondContact O-N 2.78Å; F251-N254 VanDerWaalsContact O-N 3.13Å; F251-Y258 AromaticContact CD2-CD1 3.97Å; F251-Y258 HydrophobicContact CD2-CD1 3.97Å; F251-Y258 AromaticContact CD2-CD2 3.66Å; F251-Y258 HydrophobicContact CD2-CD2 3.66Å; F251-Y258 HydrophobicContact CD2-CE1 4.4Å; F251-Y258 HydrophobicContact CD2-CE2 4.14Å; F251-Y258 AromaticContact CD2-CG 3.57Å; F251-Y258 HydrophobicContact CD2-CG 3.57Å; F251-Y258 AromaticContact CE2-CD1 3.91Å; F251-Y258 HydrophobicContact CE2-CD1 3.91Å; F251-Y258 HydrophobicContact CE2-CD2 4.15Å; F251-Y258 AromaticContact CE2-CG 3.59Å; F251-Y258 HydrophobicContact CE2-CG 3.59Å; F251-Y258 HydrophobicContact CG-CD2 4.35Å; F251-R261 HydrophobicContact CE2-CB 4.11Å; F251-R261 HydrophobicContact CZ-CB 3.87Å; F251-Y266 HydrophobicContact CB-CD2 4.3Å; F251-Y266 HydrophobicContact CB-CG 4.44Å; F251-Y266 AromaticContact CD1-CD2 3.6Å; F251-Y266 HydrophobicContact CD1-CD2 3.6Å; F251-Y266 HydrophobicContact CD1-CE2 4.37Å; F251-Y266 HydrophobicContact CD1-CG 4.31Å; F251-Y266 AromaticContact CD2-CD2 3.64Å; F251-Y266 HydrophobicContact CD2-CD2 3.64Å; F251-Y266 AromaticContact CD2-CE2 3.65Å; F251-Y266 HydrophobicContact CD2-CE2 3.65Å; F251-Y266 HydrophobicContact CD2-CG 4.5Å; F251-Y266 AromaticContact CE1-CD2 3.67Å; F251-Y266 HydrophobicContact CE1-CD2 3.67Å; F251-Y266 HydrophobicContact CE1-CE2 4.22Å; F251-Y266 AromaticContact CE2-CD2 3.7Å; F251-Y266 HydrophobicContact CE2-CD2 3.7Å; F251-Y266 AromaticContact CE2-CE2 3.46Å; F251-Y266 HydrophobicContact CE2-CE2 3.46Å; F251-Y266 VanDerWaalsContact CE2-CE2 3.46Å; F251-Y266 AromaticContact CG-CD2 3.59Å; F251-Y266 HydrophobicContact CG-CD2 3.59Å; F251-Y266 HydrophobicContact CG-CE2 4.1Å; F251-Y266 HydrophobicContact CG-CG 4.19Å; F251-Y266 AromaticContact CZ-CD2 3.71Å; F251-Y266 HydrophobicContact CZ-CD2 3.71Å; F251-Y266 AromaticContact CZ-CE2 3.77Å; F251-Y266 HydrophobicContact CZ-CE2 3.77Å
252	Y	88.1	Confident	88	Confident	117 Å²	117	66.6 Å²	66.6	46%	0.459	36%	0.358	S	S	.	.	H	α-helix	trans	-71.1	-25.3	-175.6	-59.5	-60.1	0	0	0	113.6	A248 N254 Y266	A248-Y252 HydrophobicContact CB-CD2 4.35Å; A248-Y252 HydrophobicContact CB-CE2 4.08Å; A248-Y252 WeakPolarHBondContact O-CD2 3.39Å; A248-Y252 PolarHBondContact O-N 3.03Å; Y252-N254 VanDerWaalsContact C-N 3.28Å; Y252-N254 PolarHBondContact O-N 3.02Å; Y252-Y266 VanDerWaalsContact CE2-O 3.3Å; Y252-Y266 WeakPolarHBondContact CE2-O 3.28Å; Y252-Y266 PolarHBondContact OH-N 3.05Å; Y252-Y266 PolarHBondContact OH-O 2.81Å
253	S	90.1	Very high	87.2	Confident	73 Å²	73	68.9 Å²	68.9	51%	0.51	37%	0.37	S	S	.	.	H	α-helix	trans	-74.7	-13	172.3	60.5	0	0	0	0	114.2	E249 H250 F251 P255	E249-S253 WeakPolarHBondContact O-CB 3.41Å; E249-S253 PolarHBondContact O-N 3.45Å; E249-S253 PolarHBondContact O-OG 2.86Å; H250-S253 PolarHBondContact O-OG 2.82Å; F251-S253 VanDerWaalsContact C-N 3.34Å; F251-S253 PolarHBondContact O-N 2.77Å; S253-P255 VanDerWaalsContact O-CD 3.3Å; S253-P255 WeakPolarHBondContact O-CD 3.46Å
254	N	88.2	Confident	86.8	Confident	60 Å²	60	69 Å²	69	32%	0.321	37%	0.371	S	S	.	.			trans	-119.2	50.6	-177.3	-70.9	-86.1	0	0	0	113.9	H250 F251 Y252 A256 R257 Y258	H250-N254 WeakPolarHBondContact O-CB 3.19Å; H250-N254 PolarHBondContact O-ND2 2.81Å; F251-N254 PolarHBondContact O-N 2.78Å; F251-N254 VanDerWaalsContact O-N 3.13Å; Y252-N254 VanDerWaalsContact C-N 3.28Å; Y252-N254 PolarHBondContact O-N 3.02Å; N254-A256 PolarHBondContact O-N 2.8Å; N254-A256 VanDerWaalsContact O-N 3.08Å; N254-R257 HydrophobicContact CB-CB 4.25Å; N254-R257 WeakPolarHBondContact O-CB 3.42Å; N254-R257 PolarHBondContact O-N 3.33Å; N254-Y258 HydrophobicContact CB-CD2 4.07Å; N254-Y258 HydrophobicContact CB-CE2 4.01Å; N254-Y258 PolarHBondContact O-N 3.29Å
255	P	85.7	Confident	86.5	Confident	92 Å²	92	68 Å²	68	60%	0.597	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.6	-172.7	28.8	-36.6	0	0	0	113.6	S253 K259	S253-P255 VanDerWaalsContact O-CD 3.3Å; S253-P255 WeakPolarHBondContact O-CD 3.46Å; P255-K259 PolarHBondContact O-N 3.48Å
256	A	85.4	Confident	86.6	Confident	97 Å²	97	64.7 Å²	64.7	80%	0.802	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-27.8	173.6	0	0	0	0	0	113.3	N254	N254-A256 PolarHBondContact O-N 2.8Å; N254-A256 VanDerWaalsContact O-N 3.08Å
257	R	85.5	Confident	86.8	Confident	141 Å²	141	62.8 Å²	62.8	53%	0.532	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-41.7	176.9	177.9	178	174.9	169	-3.4	111.6	E200 N254	E200-R257 IonicContact OE1-NH2 3.24Å; N254-R257 HydrophobicContact CB-CB 4.25Å; N254-R257 WeakPolarHBondContact O-CB 3.42Å; N254-R257 PolarHBondContact O-N 3.33Å
258	Y	86.2	Confident	86.9	Confident	16 Å²	16	63.3 Å²	63.3	6%	0.063	32%	0.322	C	S	.	.	S	Bend	trans	-97.9	17.1	-174.3	-59.9	-67.1	0	0	0	113.7	H250 F251 N254 G260 R261	H250-Y258 PolarHBondContact NE2-OH 2.67Å; F251-Y258 AromaticContact CD2-CD1 3.97Å; F251-Y258 HydrophobicContact CD2-CD1 3.97Å; F251-Y258 AromaticContact CD2-CD2 3.66Å; F251-Y258 HydrophobicContact CD2-CD2 3.66Å; F251-Y258 HydrophobicContact CD2-CE1 4.4Å; F251-Y258 HydrophobicContact CD2-CE2 4.14Å; F251-Y258 AromaticContact CD2-CG 3.57Å; F251-Y258 HydrophobicContact CD2-CG 3.57Å; F251-Y258 AromaticContact CE2-CD1 3.91Å; F251-Y258 HydrophobicContact CE2-CD1 3.91Å; F251-Y258 HydrophobicContact CE2-CD2 4.15Å; F251-Y258 AromaticContact CE2-CG 3.59Å; F251-Y258 HydrophobicContact CE2-CG 3.59Å; F251-Y258 HydrophobicContact CG-CD2 4.35Å; N254-Y258 HydrophobicContact CB-CD2 4.07Å; N254-Y258 HydrophobicContact CB-CE2 4.01Å; N254-Y258 PolarHBondContact O-N 3.29Å; Y258-G260 PolarHBondContact O-N 3.3Å; Y258-R261 WeakPolarHBondContact O-CB 3.39Å; Y258-R261 PolarHBondContact O-N 3.12Å
259	K	83.5	Confident	87.2	Confident	151 Å²	151	65 Å²	65	66%	0.657	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	123.1	179.6	-172.2	177.5	-178.5	178.5	0	111.1	P255	P255-K259 PolarHBondContact O-N 3.48Å
260	G	79.5	Confident	87.6	Confident	5 Å²	5	57.5 Å²	57.5	5%	0.052	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.6	-2.2	-172.6	0	0	0	0	0	115.2	Q172 Y238 Y258 E262	Q172-G260 PolarHBondContact NE2-O 3.35Å; Y238-G260 PolarHBondContact OH-O 2.86Å; Y258-G260 PolarHBondContact O-N 3.3Å; G260-E262 VanDerWaalsContact C-N 3.26Å; G260-E262 PolarHBondContact O-N 3.09Å
261	R	85.8	Confident	87.8	Confident	8 Å²	8	57.9 Å²	57.9	3%	0.03	30%	0.298	C	S	.	.			trans	-93.7	31.7	166.8	-71.1	-172.4	174.4	178	-0.5	113.3	L170 E171 V201 F251 Y258 N263 M264	L170-R261 HydrophobicContact CD1-CG 4.36Å; E171-R261 WeakPolarHBondContact OE1-CG 3.45Å; E171-R261 IonicContact OE1-CZ 3.67Å; E171-R261 IonicContact OE1-NE 3.79Å; E171-R261 PolarHBondContact OE1-NE 3.46Å; E171-R261 IonicContact OE1-NH2 3.17Å; E171-R261 IonicContact OE2-CZ 3.9Å; E171-R261 IonicContact OE2-NE 3.43Å; E171-R261 PolarHBondContact OE2-NE 3.08Å; E171-R261 IonicContact OE2-NH2 2.81Å; E171-R261 PolarHBondContact OE2-NH2 3.18Å; V201-R261 VanDerWaalsContact CG2-NH2 3.28Å; F251-R261 HydrophobicContact CE2-CB 4.11Å; F251-R261 HydrophobicContact CZ-CB 3.87Å; Y258-R261 WeakPolarHBondContact O-CB 3.39Å; Y258-R261 PolarHBondContact O-N 3.12Å; R261-N263 PolarHBondContact O-N 2.77Å; R261-N263 VanDerWaalsContact O-N 3.1Å; R261-M264 HydrophobicContact CB-CB 4.35Å; R261-M264 HydrophobicContact CB-SD 4.11Å; R261-M264 HydrophobicContact CG-SD 3.71Å; R261-M264 PolarHBondContact O-N 2.62Å
262	E	78.3	Confident	88	Confident	151 Å²	151	61.2 Å²	61.2	71%	0.706	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-9.6	-179.4	-68.4	155	-138.3	0	0	114	G260	G260-E262 VanDerWaalsContact C-N 3.26Å; G260-E262 PolarHBondContact O-N 3.09Å
263	N	79.6	Confident	88.2	Confident	49 Å²	49	55.6 Å²	55.6	26%	0.262	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	8.7	174.2	-50.2	-85.1	0	0	0	113.1	Y238 R261	Y238-N263 HydrophobicContact CE1-CB 4.5Å; R261-N263 PolarHBondContact O-N 2.77Å; R261-N263 VanDerWaalsContact O-N 3.1Å
264	M	87.4	Confident	88.2	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.01	28%	0.279	C	S	.	.			trans	-118.3	106.5	-179.7	-65.9	172.3	68.2	0	0	108.8	V201 Y238 H242 R261 Y266	V201-M264 HydrophobicContact CB-CE 4.47Å; V201-M264 HydrophobicContact CG1-CE 3.38Å; V201-M264 HydrophobicContact CG2-CE 4.22Å; Y238-M264 HydrophobicContact CD2-CG 4.28Å; Y238-M264 HydrophobicContact CD2-SD 3.99Å; Y238-M264 HydrophobicContact CE2-CG 4.15Å; Y238-M264 HydrophobicContact CE2-SD 3.74Å; Y238-M264 VanDerWaalsContact O-CG 3.29Å; Y238-M264 WeakPolarHBondContact O-CG 3.3Å; H242-M264 WeakPolarHBondContact NE2-CE 3.08Å; R261-M264 HydrophobicContact CB-CB 4.35Å; R261-M264 HydrophobicContact CB-SD 4.11Å; R261-M264 HydrophobicContact CG-SD 3.71Å; R261-M264 PolarHBondContact O-N 2.62Å; M264-Y266 HydrophobicContact CB-CE2 4.25Å; M264-Y266 HydrophobicContact CE-CE2 4.48Å
265	L	89.9	Confident	88.1	Confident	23 Å²	23	53.4 Å²	53.4	12%	0.12	29%	0.29	C	S	.	.			trans	-87.6	136.8	-178.4	-57.3	171.5	0	0	0	109.1	A241 H242 Y267 E279 F282	A241-L265 CarbonylContact C-O 3.53Å; A241-L265 WeakPolarHBondContact CA-O 3.16Å; A241-L265 HydrophobicContact CB-CB 4.29Å; H242-L265 PolarHBondContact N-O 2.9Å; L265-Y267 HydrophobicContact CB-CE2 3.71Å; L265-Y267 WeakPolarHBondContact CD1-OH 3.17Å; L265-E279 HydrophobicContact CD1-CB 4.3Å; L265-E279 WeakPolarHBondContact CD2-OE2 3.41Å; L265-F282 HydrophobicContact CD1-CB 4.35Å
266	Y	92.4	Very high	87.8	Confident	8 Å²	8	49.3 Å²	49.3	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.5	175.2	-75.6	-88.7	0	0	0	110.4	H242 F247 F251 Y252 M264	H242-Y266 HydrophobicContact CB-CD1 3.37Å; H242-Y266 HydrophobicContact CB-CE1 3.3Å; H242-Y266 HydrophobicContact CB-CG 4.13Å; H242-Y266 AromaticContact CG-CE1 3.65Å; H242-Y266 AromaticContact CG-CZ 3.93Å; H242-Y266 WeakPolarHBondContact O-CA 2.92Å; F247-Y266 AromaticContact CD1-CD1 3.4Å; F247-Y266 HydrophobicContact CD1-CD1 3.4Å; F247-Y266 VanDerWaalsContact CD1-CD1 3.4Å; F247-Y266 AromaticContact CD1-CE1 3.65Å; F247-Y266 HydrophobicContact CD1-CE1 3.65Å; F247-Y266 AromaticContact CD1-CG 3.97Å; F247-Y266 HydrophobicContact CD1-CG 3.97Å; F247-Y266 AromaticContact CE1-CD1 3.67Å; F247-Y266 HydrophobicContact CE1-CD1 3.67Å; F247-Y266 HydrophobicContact CE1-CD2 4.37Å; F247-Y266 AromaticContact CE1-CE1 3.51Å; F247-Y266 HydrophobicContact CE1-CE1 3.51Å; F247-Y266 HydrophobicContact CE1-CE2 4.22Å; F247-Y266 HydrophobicContact CE1-CG 4.1Å; F247-Y266 AromaticContact CE1-CZ 3.81Å; F251-Y266 HydrophobicContact CB-CD2 4.3Å; F251-Y266 HydrophobicContact CB-CG 4.44Å; F251-Y266 AromaticContact CD1-CD2 3.6Å; F251-Y266 HydrophobicContact CD1-CD2 3.6Å; F251-Y266 HydrophobicContact CD1-CE2 4.37Å; F251-Y266 HydrophobicContact CD1-CG 4.31Å; F251-Y266 AromaticContact CD2-CD2 3.64Å; F251-Y266 HydrophobicContact CD2-CD2 3.64Å; F251-Y266 AromaticContact CD2-CE2 3.65Å; F251-Y266 HydrophobicContact CD2-CE2 3.65Å; F251-Y266 HydrophobicContact CD2-CG 4.5Å; F251-Y266 AromaticContact CE1-CD2 3.67Å; F251-Y266 HydrophobicContact CE1-CD2 3.67Å; F251-Y266 HydrophobicContact CE1-CE2 4.22Å; F251-Y266 AromaticContact CE2-CD2 3.7Å; F251-Y266 HydrophobicContact CE2-CD2 3.7Å; F251-Y266 AromaticContact CE2-CE2 3.46Å; F251-Y266 HydrophobicContact CE2-CE2 3.46Å; F251-Y266 VanDerWaalsContact CE2-CE2 3.46Å; F251-Y266 AromaticContact CG-CD2 3.59Å; F251-Y266 HydrophobicContact CG-CD2 3.59Å; F251-Y266 HydrophobicContact CG-CE2 4.1Å; F251-Y266 HydrophobicContact CG-CG 4.19Å; F251-Y266 AromaticContact CZ-CD2 3.71Å; F251-Y266 HydrophobicContact CZ-CD2 3.71Å; F251-Y266 AromaticContact CZ-CE2 3.77Å; F251-Y266 HydrophobicContact CZ-CE2 3.77Å; Y252-Y266 VanDerWaalsContact CE2-O 3.3Å; Y252-Y266 WeakPolarHBondContact CE2-O 3.28Å; Y252-Y266 PolarHBondContact OH-N 3.05Å; Y252-Y266 PolarHBondContact OH-O 2.81Å; M264-Y266 HydrophobicContact CB-CE2 4.25Å; M264-Y266 HydrophobicContact CE-CE2 4.48Å
267	Y	93.9	Very high	86.8	Confident	25 Å²	25	47.4 Å²	47.4	10%	0.098	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	151.1	179.1	-56.3	-79.7	0	0	0	109.6	A241 H242 V243 K244 L265 D272 A273 E279	A241-Y267 HydrophobicContact CB-CD2 4.08Å; A241-Y267 HydrophobicContact CB-CE2 3.74Å; H242-Y267 PolarHBondContact O-N 2.82Å; V243-Y267 WeakPolarHBondContact CA-O 3.35Å; K244-Y267 PolarHBondContact N-O 2.94Å; L265-Y267 HydrophobicContact CB-CE2 3.71Å; L265-Y267 WeakPolarHBondContact CD1-OH 3.17Å; Y267-D272 HydrophobicContact CD1-CB 3.87Å; Y267-D272 HydrophobicContact CG-CB 4.27Å; Y267-A273 HydrophobicContact CD2-CB 3.53Å; Y267-A273 HydrophobicContact CE2-CB 4.05Å; Y267-A273 HydrophobicContact CG-CB 3.96Å; Y267-E279 PolarHBondContact OH-OE1 3.1Å
268	D	92.6	Very high	85.8	Confident	56 Å²	56	49.5 Å²	49.5	30%	0.299	26%	0.259	S	S	.	.	S	Bend	trans	-90.4	-19.4	178.5	-71.5	-41.2	0	0	0	112.8	P245 G246 F247 A248	P245-D268 WeakPolarHBondContact CG-O 3.48Å; G246-D268 WeakPolarHBondContact CA-OD1 3.49Å; G246-D268 PolarHBondContact N-OD1 2.94Å; F247-D268 PolarHBondContact N-OD1 2.76Å; F247-D268 VanDerWaalsContact N-OD1 3.1Å; A248-D268 WeakPolarHBondContact CB-OD2 3.42Å; A248-D268 PolarHBondContact N-OD1 3.42Å; A248-D268 VanDerWaalsContact N-OD1 3.08Å
269	T	94.8	Very high	85.1	Confident	44 Å²	44	52.9 Å²	52.9	27%	0.27	28%	0.275	S	S	.	.	S	Bend	trans	-124.6	164.4	174.5	73.4	0	0	0	0	111.9	V243 D272 E296	V243-T269 VanDerWaalsContact CG1-C 3.47Å; V243-T269 WeakPolarHBondContact CG1-O 3.37Å; T269-D272 WeakPolarHBondContact OG1-CB 3.34Å; T269-D272 PolarHBondContact OG1-N 2.87Å; T269-D272 PolarHBondContact OG1-OD2 2.83Å; T269-E296 WeakPolarHBondContact CB-OE2 3.45Å
270	I	95.3	Very high	84.1	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-73.7	-38.1	170.4	-54.4	175.4	0	0	0	109.8	V243 D272 A273 L274 V288 Y293 E296 I298 M306 I320	V243-I270 HydrophobicContact CG1-CG1 3.89Å; V243-I270 HydrophobicContact CG2-CG1 4.37Å; I270-D272 PolarHBondContact O-N 2.78Å; I270-A273 PolarHBondContact O-N 3.03Å; I270-A273 VanDerWaalsContact O-N 3.15Å; I270-L274 HydrophobicContact CG2-CD1 4.31Å; I270-L274 HydrophobicContact CG2-CG 4.41Å; I270-L274 WeakPolarHBondContact O-CG 3.39Å; I270-L274 PolarHBondContact O-N 2.7Å; I270-V288 HydrophobicContact CD1-CG1 4.07Å; I270-V288 HydrophobicContact CD1-CG2 4.35Å; I270-V288 HydrophobicContact CG1-CG1 4.44Å; I270-V288 HydrophobicContact CG1-CG2 4.46Å; I270-Y293 HydrophobicContact CD1-CD1 4.11Å; I270-Y293 HydrophobicContact CD1-CG 4.01Å; I270-Y293 HydrophobicContact CG1-CD1 4.11Å; I270-E296 WeakPolarHBondContact CA-OE2 3.31Å; I270-E296 VanDerWaalsContact CB-OE2 3.27Å; I270-E296 WeakPolarHBondContact CB-OE2 3.47Å; I270-E296 PolarHBondContact N-OE2 3.26Å; I270-I298 HydrophobicContact CD1-CD1 3.85Å; I270-I298 HydrophobicContact CG2-CD1 4.25Å; I270-I298 HydrophobicContact CG2-CG1 4.26Å; I270-M306 HydrophobicContact CG2-CE 3.52Å; I270-M306 HydrophobicContact CG2-SD 4.1Å; I270-I320 HydrophobicContact CD1-CD1 3.61Å; I270-I320 HydrophobicContact CD1-CG1 4.06Å
271	E	93.3	Very high	83.4	Confident	81 Å²	81	56.3 Å²	56.3	38%	0.379	31%	0.309	S	S	.	.	H	α-helix	trans	-54.3	-48.1	174.8	-72.9	-179.4	-148.5	0	0	112.5	A273 L274 G275 E296 W297	E271-A273 VanDerWaalsContact C-N 3.29Å; E271-A273 PolarHBondContact O-N 3Å; E271-L274 PolarHBondContact O-N 3.37Å; E271-G275 PolarHBondContact O-N 3.03Å; E271-E296 HydrophobicContact CG-CB 4.24Å; E271-E296 PolarHBondContact N-OE2 2.69Å; E271-E296 VanDerWaalsContact OE1-CA 3.27Å; E271-E296 WeakPolarHBondContact OE1-CA 3.4Å; E271-W297 HydrophobicContact CG-CB 4.29Å; E271-W297 PolarHBondContact OE1-N 2.87Å
272	D	91.8	Very high	82.9	Confident	86 Å²	86	57.3 Å²	57.3	46%	0.46	31%	0.314	S	S	.	.	H	α-helix	trans	-59.8	-39.6	177.7	-69.8	-53.4	0	0	0	111.7	Y267 T269 I270 G275 G276	Y267-D272 HydrophobicContact CD1-CB 3.87Å; Y267-D272 HydrophobicContact CG-CB 4.27Å; T269-D272 WeakPolarHBondContact OG1-CB 3.34Å; T269-D272 PolarHBondContact OG1-N 2.87Å; T269-D272 PolarHBondContact OG1-OD2 2.83Å; I270-D272 PolarHBondContact O-N 2.78Å; D272-G275 PolarHBondContact O-N 2.96Å; D272-G276 PolarHBondContact O-N 2.86Å
273	A	92.6	Very high	82.8	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-70.6	-33.2	179.2	0	0	0	0	0	112.8	V243 Y267 I270 E271 G276 I286	V243-A273 HydrophobicContact CG2-CB 3.6Å; Y267-A273 HydrophobicContact CD2-CB 3.53Å; Y267-A273 HydrophobicContact CE2-CB 4.05Å; Y267-A273 HydrophobicContact CG-CB 3.96Å; I270-A273 PolarHBondContact O-N 3.03Å; I270-A273 VanDerWaalsContact O-N 3.15Å; E271-A273 VanDerWaalsContact C-N 3.29Å; E271-A273 PolarHBondContact O-N 3Å; A273-G276 PolarHBondContact O-N 2.81Å; A273-I286 HydrophobicContact CB-CD1 4.27Å; A273-I286 HydrophobicContact CB-CG2 4.4Å
274	L	91.3	Very high	83.2	Confident	32 Å²	32	52.1 Å²	52.1	17%	0.168	29%	0.294	C	S	.	.	H	α-helix	trans	-70.2	-33.4	170.6	-65.7	175.2	0	0	0	111.6	I270 E271 G276 V277 I286 I298 I300 I304 M306	I270-L274 HydrophobicContact CG2-CD1 4.31Å; I270-L274 HydrophobicContact CG2-CG 4.41Å; I270-L274 WeakPolarHBondContact O-CG 3.39Å; I270-L274 PolarHBondContact O-N 2.7Å; E271-L274 PolarHBondContact O-N 3.37Å; L274-G276 VanDerWaalsContact C-N 3.32Å; L274-V277 WeakPolarHBondContact O-CG2 3.42Å; L274-I286 HydrophobicContact CD2-CD1 4.17Å; L274-I298 HydrophobicContact CD1-CG2 4.21Å; L274-I300 HydrophobicContact CD1-CD1 4.21Å; L274-I300 HydrophobicContact CD2-CD1 4.01Å; L274-I304 HydrophobicContact CD2-CD1 3.6Å; L274-I304 HydrophobicContact CD2-CG1 4.46Å; L274-M306 HydrophobicContact CD2-CE 4.28Å
275	G	85.8	Confident	83.4	Confident	54 Å²	54	52.4 Å²	52.4	56%	0.557	30%	0.295	S	S	*	.	H	α-helix	trans	-65.4	-33.5	168.8	0	0	0	0	0	113.4	E271 D272 V277	E271-G275 PolarHBondContact O-N 3.03Å; D272-G275 PolarHBondContact O-N 2.96Å; G275-V277 PolarHBondContact O-N 2.79Å; G275-V277 VanDerWaalsContact O-N 3.16Å
276	G	79.3	Confident	83.7	Confident	7 Å²	7	51.3 Å²	51.3	7%	0.072	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-66.3	-7.2	-179.8	0	0	0	0	0	116.2	D272 A273 L274 Q278 E279	D272-G276 PolarHBondContact O-N 2.86Å; A273-G276 PolarHBondContact O-N 2.81Å; L274-G276 VanDerWaalsContact C-N 3.32Å; G276-Q278 PolarHBondContact O-N 3.33Å; G276-E279 WeakPolarHBondContact O-CB 3.46Å; G276-E279 WeakPolarHBondContact O-CG 3.48Å; G276-E279 PolarHBondContact O-N 3.04Å
277	V	64.4	Low	83.9	Confident	56 Å²	56	50.9 Å²	50.9	34%	0.339	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-57	-18.8	-177.6	175.7	0	0	0	0	113.7	L274 G275 E279 F282 I304	L274-V277 WeakPolarHBondContact O-CG2 3.42Å; G275-V277 PolarHBondContact O-N 2.79Å; G275-V277 VanDerWaalsContact O-N 3.16Å; V277-E279 VanDerWaalsContact C-N 3.35Å; V277-F282 HydrophobicContact CB-CD1 4.43Å; V277-F282 HydrophobicContact CB-CE1 4.27Å; V277-F282 HydrophobicContact CG1-CE1 4.4Å; V277-F282 HydrophobicContact CG2-CD1 4.4Å; V277-F282 HydrophobicContact CG2-CE1 3.78Å; V277-F282 HydrophobicContact CG2-CZ 4.42Å; V277-I304 HydrophobicContact CG2-CG2 4.21Å
278	Q	64.3	Low	84.1	Confident	186 Å²	186	49.7 Å²	49.7	87%	0.869	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-81.9	-5.4	177	-57.7	-178.5	32.9	0	0	114.3	G276	G276-Q278 PolarHBondContact O-N 3.33Å
279	E	70.5	Confident	84.3	Confident	86 Å²	86	47.1 Å²	47.1	40%	0.402	27%	0.269	S	S	.	.	S	Bend	trans	-75	128.4	-178.4	-69.7	-167.2	-129.7	0	0	112.8	L265 Y267 G276 V277 H281 F282	L265-E279 HydrophobicContact CD1-CB 4.3Å; L265-E279 WeakPolarHBondContact CD2-OE2 3.41Å; Y267-E279 PolarHBondContact OH-OE1 3.1Å; G276-E279 WeakPolarHBondContact O-CB 3.46Å; G276-E279 WeakPolarHBondContact O-CG 3.48Å; G276-E279 PolarHBondContact O-N 3.04Å; V277-E279 VanDerWaalsContact C-N 3.35Å; E279-H281 PolarHBondContact O-N 2.92Å; E279-F282 HydrophobicContact CB-CB 4.45Å; E279-F282 WeakPolarHBondContact O-CB 3.41Å; E279-F282 PolarHBondContact O-N 3.09Å
280	A	62.9	Low	84.4	Confident	101 Å²	101	47.8 Å²	47.8	84%	0.835	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	2.4	-168.8	0	0	0	0	0	117
281	H	66.3	Low	84.4	Confident	127 Å²	127	48.7 Å²	48.7	59%	0.588	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.1	-9.2	176.3	-61	101.1	0	0	0	113.7	E279	E279-H281 PolarHBondContact O-N 2.92Å
282	F	75.6	Confident	84.5	Confident	30 Å²	30	50 Å²	50	13%	0.132	29%	0.294	C	S	.	.			trans	-67.4	136.4	177.2	-179.6	-108	0	0	0	110.3	A241 L265 V277 E279 G284 L285 I286 I304	A241-F282 HydrophobicContact CB-CD2 4.19Å; A241-F282 HydrophobicContact CB-CE2 3.83Å; L265-F282 HydrophobicContact CD1-CB 4.35Å; V277-F282 HydrophobicContact CB-CD1 4.43Å; V277-F282 HydrophobicContact CB-CE1 4.27Å; V277-F282 HydrophobicContact CG1-CE1 4.4Å; V277-F282 HydrophobicContact CG2-CD1 4.4Å; V277-F282 HydrophobicContact CG2-CE1 3.78Å; V277-F282 HydrophobicContact CG2-CZ 4.42Å; E279-F282 HydrophobicContact CB-CB 4.45Å; E279-F282 WeakPolarHBondContact O-CB 3.41Å; E279-F282 PolarHBondContact O-N 3.09Å; F282-G284 VanDerWaalsContact CZ-CA 3.49Å; F282-L285 WeakPolarHBondContact CE2-O 3.11Å; F282-I286 HydrophobicContact CE2-CG1 3.98Å; F282-I286 HydrophobicContact CZ-CD1 4.17Å; F282-I286 HydrophobicContact CZ-CG1 3.84Å; F282-I304 HydrophobicContact CE1-CG2 4.34Å
283	D	75.4	Confident	84.7	Confident	80 Å²	80	46.1 Å²	46.1	43%	0.428	27%	0.273	S	S	.	.			trans	-114.7	9.5	-175.1	70	-8.1	0	0	0	114.3	K239 L285	K239-D283 WeakPolarHBondContact CB-OD2 3.32Å; K239-D283 HydrophobicContact CD-CB 4.2Å; K239-D283 WeakPolarHBondContact CD-OD2 3.3Å; D283-L285 WeakPolarHBondContact OD1-CB 3.37Å; D283-L285 PolarHBondContact OD1-N 2.96Å
284	G	87.1	Confident	84.8	Confident	11 Å²	11	50.4 Å²	50.4	11%	0.113	30%	0.299	C	S	.	.	S	Bend	trans	96.3	-14	-178.7	0	0	0	0	0	114.4	F282 T305	F282-G284 VanDerWaalsContact CZ-CA 3.49Å; G284-T305 PolarHBondContact O-N 3.14Å
285	L	93.2	Very high	84.8	Confident	7 Å²	7	50.4 Å²	50.4	4%	0.037	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	130	-175.2	-176	57.4	0	0	0	112.4	F216 L237 G240 A241 F282 D283 F287 T305 I307	F216-L285 HydrophobicContact CE1-CD1 4.43Å; F216-L285 HydrophobicContact CZ-CD1 4.02Å; L237-L285 HydrophobicContact CD2-CD2 4.12Å; G240-L285 CarbonylContact C-O 3.57Å; G240-L285 WeakPolarHBondContact CA-O 3.33Å; A241-L285 PolarHBondContact N-O 2.63Å; F282-L285 WeakPolarHBondContact CE2-O 3.11Å; D283-L285 WeakPolarHBondContact OD1-CB 3.37Å; D283-L285 PolarHBondContact OD1-N 2.96Å; L285-F287 HydrophobicContact CD1-CZ 4.47Å; L285-F287 HydrophobicContact CD2-CE2 3.93Å; L285-F287 HydrophobicContact CD2-CZ 3.61Å; L285-F287 HydrophobicContact CG-CE2 4.01Å; L285-F287 HydrophobicContact CG-CZ 3.97Å; L285-T305 CarbonylContact C-O 3.58Å; L285-T305 WeakPolarHBondContact CA-O 3.47Å; L285-T305 HydrophobicContact CD1-CG2 3.61Å; L285-I307 HydrophobicContact CD1-CD1 4.1Å; L285-I307 HydrophobicContact CD1-CG1 4.22Å
286	I	95.6	Very high	85.1	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	121.7	178.9	-54.9	178.6	0	0	0	109.9	A241 V243 A273 L274 F282 V288 I304 T305 M306 I307	A241-I286 HydrophobicContact CB-CG1 4.47Å; A241-I286 CarbonylContact O-C 3.47Å; A241-I286 WeakPolarHBondContact O-CA 3.39Å; V243-I286 HydrophobicContact CG2-CG2 3.74Å; A273-I286 HydrophobicContact CB-CD1 4.27Å; A273-I286 HydrophobicContact CB-CG2 4.4Å; L274-I286 HydrophobicContact CD2-CD1 4.17Å; F282-I286 HydrophobicContact CE2-CG1 3.98Å; F282-I286 HydrophobicContact CZ-CD1 4.17Å; F282-I286 HydrophobicContact CZ-CG1 3.84Å; I286-V288 HydrophobicContact CG2-CG2 4.3Å; I286-I304 HydrophobicContact CD1-CD1 3.94Å; I286-T305 PolarHBondContact N-O 2.93Å; I286-M306 HydrophobicContact CB-CB 4.48Å; I286-M306 HydrophobicContact CB-CG 4.22Å; I286-M306 HydrophobicContact CG2-CG 4.25Å; I286-M306 WeakPolarHBondContact O-CA 3.26Å; I286-I307 PolarHBondContact O-N 3.4Å
287	F	97	Very high	85.6	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	116.1	169.7	-60.6	-78.3	0	0	0	110.2	F202 L237 A241 H242 V243 L285 I307 A309	F202-F287 HydrophobicContact CD1-CD1 4.09Å; F202-F287 HydrophobicContact CD1-CD2 4.25Å; F202-F287 AromaticContact CD1-CE1 3.79Å; F202-F287 HydrophobicContact CD1-CE1 3.79Å; F202-F287 AromaticContact CD1-CE2 3.98Å; F202-F287 HydrophobicContact CD1-CE2 3.98Å; F202-F287 HydrophobicContact CD1-CG 4.32Å; F202-F287 AromaticContact CD1-CZ 3.77Å; F202-F287 HydrophobicContact CD1-CZ 3.77Å; F202-F287 HydrophobicContact CE1-CD2 4.16Å; F202-F287 HydrophobicContact CE1-CE1 4.09Å; F202-F287 AromaticContact CE1-CE2 3.58Å; F202-F287 HydrophobicContact CE1-CE2 3.58Å; F202-F287 AromaticContact CE1-CZ 3.56Å; F202-F287 HydrophobicContact CE1-CZ 3.56Å; L237-F287 HydrophobicContact CB-CZ 3.75Å; L237-F287 HydrophobicContact CD1-CE1 4.21Å; L237-F287 HydrophobicContact CD1-CZ 4.25Å; L237-F287 HydrophobicContact CD2-CE1 4.17Å; L237-F287 HydrophobicContact CD2-CZ 3.87Å; L237-F287 HydrophobicContact CG-CZ 4.14Å; A241-F287 WeakPolarHBondContact O-CD2 3.39Å; A241-F287 PolarHBondContact O-N 3.01Å; H242-F287 AromaticContact CE1-CD2 3.7Å; H242-F287 AromaticContact ND1-CD2 3.99Å; H242-F287 AromaticContact NE2-CD2 3.84Å; V243-F287 PolarHBondContact N-O 2.85Å; L285-F287 HydrophobicContact CD1-CZ 4.47Å; L285-F287 HydrophobicContact CD2-CE2 3.93Å; L285-F287 HydrophobicContact CD2-CZ 3.61Å; L285-F287 HydrophobicContact CG-CE2 4.01Å; L285-F287 HydrophobicContact CG-CZ 3.97Å; F287-I307 WeakPolarHBondContact CA-O 2.98Å; F287-I307 HydrophobicContact CD1-CD1 3.96Å; F287-I307 HydrophobicContact CD1-CG1 3.9Å; F287-I307 HydrophobicContact CE1-CD1 3.64Å; F287-I307 HydrophobicContact CE1-CG1 4.08Å; F287-A309 HydrophobicContact CB-CB 4.01Å; F287-A309 HydrophobicContact CD1-CB 4.29Å
288	V	97.6	Very high	87.1	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	108.1	174.6	-175.2	0	0	0	0	108.6	I270 I286 Y293 M306 I307 G308 A309 V318	I270-V288 HydrophobicContact CD1-CG1 4.07Å; I270-V288 HydrophobicContact CD1-CG2 4.35Å; I270-V288 HydrophobicContact CG1-CG1 4.44Å; I270-V288 HydrophobicContact CG1-CG2 4.46Å; I286-V288 HydrophobicContact CG2-CG2 4.3Å; V288-Y293 HydrophobicContact CG1-CD2 3.86Å; V288-Y293 HydrophobicContact CG1-CE1 4.22Å; V288-Y293 HydrophobicContact CG1-CE2 3.36Å; V288-Y293 HydrophobicContact CG1-CG 4.49Å; V288-M306 HydrophobicContact CG2-CG 3.53Å; V288-M306 HydrophobicContact CG2-SD 3.78Å; V288-I307 PolarHBondContact N-O 3.18Å; V288-G308 CarbonylContact O-C 3.59Å; V288-G308 WeakPolarHBondContact O-CA 3.41Å; V288-A309 PolarHBondContact O-N 3.34Å; V288-V318 HydrophobicContact CB-CG1 4.05Å; V288-V318 HydrophobicContact CG1-CG1 3.72Å; V288-V318 WeakPolarHBondContact O-CG2 3.36Å
289	H	97.6	Very high	88.6	Confident	2 Å²	2	49 Å²	49	1%	0.009	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	164.6	-171.3	-79.2	-90.8	0	0	0	113.8	V201 F202 E203 H242 V243 K244 G291 Y293 A309	V201-H289 VanDerWaalsContact C-NE2 3.26Å; V201-H289 PolarHBondContact O-NE2 2.94Å; F202-H289 VanDerWaalsContact C-NE2 3.32Å; F202-H289 WeakPolarHBondContact CA-NE2 3.3Å; E203-H289 WeakPolarHBondContact CG-CE1 3.37Å; E203-H289 IonicContact OE1-CE1 3.83Å; E203-H289 PolarHBondContact OE1-CE1 2.65Å; E203-H289 IonicContact OE1-ND1 3.29Å; E203-H289 PolarHBondContact OE1-ND1 3.16Å; E203-H289 IonicContact OE2-CE1 2.73Å; E203-H289 PolarHBondContact OE2-CE1 3.15Å; E203-H289 VanDerWaalsContact OE2-CE1 3.29Å; H242-H289 AromaticContact ND1-CD2 3.93Å; H242-H289 AromaticContact ND1-NE2 3.79Å; V243-H289 WeakPolarHBondContact O-CB 3.3Å; V243-H289 PolarHBondContact O-CD2 2.83Å; V243-H289 VanDerWaalsContact O-CD2 3.3Å; V243-H289 PolarHBondContact O-N 3.47Å; K244-H289 HydrophobicContact CB-CB 4.08Å; K244-H289 HydrophobicContact CD-CB 4.16Å; K244-H289 HydrophobicContact CG-CB 3.93Å; H289-G291 PolarHBondContact O-N 2.89Å; H289-Y293 PolarHBondContact N-OH 2.88Å; H289-Y293 VanDerWaalsContact O-CE2 3.31Å; H289-Y293 WeakPolarHBondContact O-CE2 3.45Å; H289-Y293 PolarHBondContact O-OH 2.78Å; H289-A309 CarbonylContact C-O 3.52Å; H289-A309 VanDerWaalsContact CA-O 3.3Å; H289-A309 WeakPolarHBondContact CA-O 3.34Å; H289-A309 PolarHBondContact CE1-O 3.4Å
290	S	96.1	Very high	89.7	Confident	57 Å²	57	45 Å²	45	40%	0.399	24%	0.244	S	C	.	.	S	Bend	trans	-46.6	110.3	175.6	-179.2	0	0	0	0	112.2	E203 A309 K317	E203-S290 WeakPolarHBondContact OE2-CB 3.25Å; S290-A309 PolarHBondContact N-O 3.15Å; S290-K317 CarbonylContact C-O 3.59Å
291	G	95	Very high	91.2	Very high	20 Å²	20	46.2 Å²	46.2	21%	0.206	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.7	170.7	-171.9	0	0	0	0	0	112.8	H289 K317 I319	H289-G291 PolarHBondContact O-N 2.89Å; G291-K317 PolarHBondContact N-O 2.89Å; G291-I319 PolarHBondContact O-N 3.45Å
292	I	95.4	Very high	92.4	Very high	108 Å²	108	41.7 Å²	41.7	55%	0.554	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114.8	117.9	168	-50.4	-178.1	0	0	0	106.8	T294 I319	I292-T294 HydrophobicContact CG2-CG2 3.95Å; I292-I319 CarbonylContact C-O 3.56Å; I292-I319 WeakPolarHBondContact CA-O 3.31Å; I292-I319 HydrophobicContact CG1-CB 4.34Å; I292-I319 HydrophobicContact CG1-CD1 4.35Å; I292-I319 HydrophobicContact CG2-CB 4.32Å; I292-I319 HydrophobicContact CG2-CG2 4.26Å
293	Y	96.1	Very high	93.2	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.016	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.3	-178.3	-58.1	-91.1	0	0	0	107.4	V243 P245 I270 V288 H289 E296 I319 I320 E321	V243-Y293 HydrophobicContact CG1-CD1 4.43Å; V243-Y293 HydrophobicContact CG1-CE1 3.68Å; P245-Y293 WeakPolarHBondContact CD-OH 3.44Å; P245-Y293 HydrophobicContact CG-CD1 4.31Å; P245-Y293 HydrophobicContact CG-CE1 3.52Å; I270-Y293 HydrophobicContact CD1-CD1 4.11Å; I270-Y293 HydrophobicContact CD1-CG 4.01Å; I270-Y293 HydrophobicContact CG1-CD1 4.11Å; V288-Y293 HydrophobicContact CG1-CD2 3.86Å; V288-Y293 HydrophobicContact CG1-CE1 4.22Å; V288-Y293 HydrophobicContact CG1-CE2 3.36Å; V288-Y293 HydrophobicContact CG1-CG 4.49Å; H289-Y293 PolarHBondContact N-OH 2.88Å; H289-Y293 VanDerWaalsContact O-CE2 3.31Å; H289-Y293 WeakPolarHBondContact O-CE2 3.45Å; H289-Y293 PolarHBondContact O-OH 2.78Å; Y293-E296 WeakPolarHBondContact CD1-OE1 3.34Å; Y293-I319 PolarHBondContact N-O 3.02Å; Y293-I320 HydrophobicContact CD2-CG1 4.28Å; Y293-E321 PolarHBondContact O-N 3.04Å
294	T	94.5	Very high	94	Very high	90 Å²	90	40.9 Å²	40.9	55%	0.552	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130.2	123.9	-165.3	56.9	0	0	0	0	112.7	I292 E296 E321	I292-T294 HydrophobicContact CG2-CG2 3.95Å; T294-E296 VanDerWaalsContact C-N 3.3Å; T294-E296 PolarHBondContact O-N 3.26Å; T294-E321 CarbonylContact C-O 3.52Å; T294-E321 VanDerWaalsContact CA-O 3.26Å; T294-E321 WeakPolarHBondContact CA-O 3.27Å
295	D	91.3	Very high	94.4	Very high	33 Å²	33	41.2 Å²	41.2	18%	0.176	22%	0.217	C	C	.	.	S	Bend	trans	61.1	25.6	177.5	-62.2	-12.7	0	0	0	116.4	E321 N322 T323 R324	D295-E321 PolarHBondContact N-O 2.87Å; D295-N322 WeakPolarHBondContact OD1-CA 3.38Å; D295-T323 PolarHBondContact OD1-N 2.97Å; D295-R324 VanDerWaalsContact CG-NH2 3.33Å; D295-R324 IonicContact OD2-CZ 2.78Å; D295-R324 IonicContact OD2-NE 2.68Å; D295-R324 PolarHBondContact OD2-NE 2.94Å; D295-R324 IonicContact OD2-NH2 2.71Å; D295-R324 PolarHBondContact OD2-NH2 3.01Å
296	E	92.9	Very high	94.5	Very high	25 Å²	25	40.9 Å²	40.9	12%	0.117	22%	0.215	C	C	.	.			trans	-76.3	147.5	175.9	-66.5	-173.7	-130.6	0	0	112.4	T269 I270 E271 Y293 T294 I298 N322	T269-E296 WeakPolarHBondContact CB-OE2 3.45Å; I270-E296 WeakPolarHBondContact CA-OE2 3.31Å; I270-E296 VanDerWaalsContact CB-OE2 3.27Å; I270-E296 WeakPolarHBondContact CB-OE2 3.47Å; I270-E296 PolarHBondContact N-OE2 3.26Å; E271-E296 HydrophobicContact CG-CB 4.24Å; E271-E296 PolarHBondContact N-OE2 2.69Å; E271-E296 VanDerWaalsContact OE1-CA 3.27Å; E271-E296 WeakPolarHBondContact OE1-CA 3.4Å; Y293-E296 WeakPolarHBondContact CD1-OE1 3.34Å; T294-E296 VanDerWaalsContact C-N 3.3Å; T294-E296 PolarHBondContact O-N 3.26Å; E296-I298 HydrophobicContact CB-CG1 4.2Å; E296-I298 PolarHBondContact O-N 2.98Å; E296-N322 PolarHBondContact O-ND2 3.22Å
297	W	89.3	Confident	94.6	Very high	158 Å²	158	40.9 Å²	40.9	60%	0.598	22%	0.215	S	C	*	.			trans	-88.8	75.7	-175.4	-70.7	5.5	0	0	0	112.4	E271 Y299	E271-W297 HydrophobicContact CG-CB 4.29Å; E271-W297 PolarHBondContact OE1-N 2.87Å; W297-Y299 HydrophobicContact CB-CD2 4.13Å; W297-Y299 HydrophobicContact CB-CE2 4Å; W297-Y299 HydrophobicContact CG-CE2 4.43Å; W297-Y299 PolarHBondContact O-N 3.31Å; W297-Y299 VanDerWaalsContact O-N 3.07Å
298	I	95.6	Very high	94.6	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	22%	0.215	C	C	.	.			trans	-88.2	78	-172.4	-50.9	176.2	0	0	0	111.3	I270 L274 E296 I300 M306 I320 F328 V329	I270-I298 HydrophobicContact CD1-CD1 3.85Å; I270-I298 HydrophobicContact CG2-CD1 4.25Å; I270-I298 HydrophobicContact CG2-CG1 4.26Å; L274-I298 HydrophobicContact CD1-CG2 4.21Å; E296-I298 HydrophobicContact CB-CG1 4.2Å; E296-I298 PolarHBondContact O-N 2.98Å; I298-I300 HydrophobicContact CG2-CD1 3.78Å; I298-M306 HydrophobicContact CG2-CE 4.29Å; I298-I320 HydrophobicContact CD1-CD1 4.29Å; I298-I320 HydrophobicContact CD1-CG2 3.49Å; I298-I320 VanDerWaalsContact CD1-CG2 3.49Å; I298-F328 HydrophobicContact CB-CD1 4.49Å; I298-F328 HydrophobicContact CD1-CD2 4.46Å; I298-F328 HydrophobicContact CD1-CE2 4.01Å; I298-F328 HydrophobicContact CD1-CZ 4.19Å; I298-F328 HydrophobicContact CG2-CD1 3.56Å; I298-F328 HydrophobicContact CG2-CD2 4.42Å; I298-F328 HydrophobicContact CG2-CE1 3.51Å; I298-F328 HydrophobicContact CG2-CE2 4.38Å; I298-F328 HydrophobicContact CG2-CG 4.05Å; I298-F328 HydrophobicContact CG2-CZ 3.94Å; I298-V329 PolarHBondContact O-N 3.27Å
299	Y	94.9	Very high	94.6	Very high	87 Å²	87	40.9 Å²	40.9	34%	0.341	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	122.6	172.2	-66.1	-86.9	0	0	0	110.6	W297 V329 M331	W297-Y299 HydrophobicContact CB-CD2 4.13Å; W297-Y299 HydrophobicContact CB-CE2 4Å; W297-Y299 HydrophobicContact CG-CE2 4.43Å; W297-Y299 PolarHBondContact O-N 3.31Å; W297-Y299 VanDerWaalsContact O-N 3.07Å; Y299-V329 HydrophobicContact CD1-CB 3.66Å; Y299-V329 HydrophobicContact CD1-CG1 4.03Å; Y299-V329 HydrophobicContact CD1-CG2 4.13Å; Y299-V329 HydrophobicContact CE1-CB 3.84Å; Y299-V329 HydrophobicContact CE1-CG1 4.13Å; Y299-V329 HydrophobicContact CE1-CG2 3.8Å; Y299-M331 HydrophobicContact CD1-CE 3.96Å; Y299-M331 HydrophobicContact CD1-SD 4.37Å
300	I	95.3	Very high	94.5	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	107.9	-179.1	-47	-52.2	0	0	0	109.3	L274 I298 S302 I304 M306 F328 V329 F330 M331 S334 A337	L274-I300 HydrophobicContact CD1-CD1 4.21Å; L274-I300 HydrophobicContact CD2-CD1 4.01Å; I298-I300 HydrophobicContact CG2-CD1 3.78Å; I300-S302 WeakPolarHBondContact CG2-O 3.22Å; I300-I304 HydrophobicContact CD1-CD1 4.08Å; I300-I304 HydrophobicContact CG2-CG1 3.98Å; I300-M306 HydrophobicContact CD1-CE 4.46Å; I300-F328 HydrophobicContact CG1-CD1 4.38Å; I300-V329 PolarHBondContact N-O 3.15Å; I300-F330 HydrophobicContact CB-CD1 3.81Å; I300-F330 HydrophobicContact CB-CE1 4.03Å; I300-F330 HydrophobicContact CB-CG 4.42Å; I300-F330 HydrophobicContact CG1-CD1 4.17Å; I300-F330 HydrophobicContact CG1-CE1 3.98Å; I300-F330 HydrophobicContact CG1-CZ 4.3Å; I300-F330 HydrophobicContact CG2-CD1 4.01Å; I300-F330 HydrophobicContact CG2-CE1 4.04Å; I300-M331 PolarHBondContact O-N 3.41Å; I300-S334 WeakPolarHBondContact O-CB 3.32Å; I300-A337 HydrophobicContact CG2-CB 4.09Å
301	E	93.1	Very high	94.3	Very high	127 Å²	127	40 Å²	40	59%	0.593	21%	0.208	S	C	*	.			trans	-111.5	8.8	178.8	-59.8	-175.4	159.3	0	0	112.7	M331 G333	E301-M331 HydrophobicContact CG-CB 4.49Å; E301-M331 HydrophobicContact CG-CE 3.71Å; E301-M331 WeakPolarHBondContact OE1-CE 3.47Å; E301-G333 CarbonylContact O-C 3.52Å
302	S	91.8	Very high	94	Very high	32 Å²	32	40.6 Å²	40.6	22%	0.224	22%	0.215	C	C	.	.	S	Bend	trans	-151.3	160.4	-169	54.3	0	0	0	0	112.9	I300 I304 G333	I300-S302 WeakPolarHBondContact CG2-O 3.22Å; S302-I304 PolarHBondContact O-N 3.36Å; S302-G333 CarbonylContact C-O 3.52Å; S302-G333 WeakPolarHBondContact CA-O 3.36Å
303	P	91.5	Very high	93.8	Very high	88 Å²	88	41.4 Å²	41.4	57%	0.571	21%	0.214	S	C	*	.			trans	-73.8	49	-177.5	32.1	-40	0	0	0	113.8	E335	P303-E335 WeakPolarHBondContact CA-O 3.3Å; P303-E335 VanDerWaalsContact CB-O 3.25Å; P303-E335 WeakPolarHBondContact CB-O 3.25Å
304	I	93.3	Very high	93.8	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.026	22%	0.216	C	C	.	.			trans	-80.7	158	178.8	63.6	129.2	0	0	0	112.4	L274 V277 F282 I286 I300 S302 M306 A337 Y338	L274-I304 HydrophobicContact CD2-CD1 3.6Å; L274-I304 HydrophobicContact CD2-CG1 4.46Å; V277-I304 HydrophobicContact CG2-CG2 4.21Å; F282-I304 HydrophobicContact CE1-CG2 4.34Å; I286-I304 HydrophobicContact CD1-CD1 3.94Å; I300-I304 HydrophobicContact CD1-CD1 4.08Å; I300-I304 HydrophobicContact CG2-CG1 3.98Å; S302-I304 PolarHBondContact O-N 3.36Å; I304-M306 HydrophobicContact CD1-CB 4.4Å; I304-M306 HydrophobicContact CD1-CE 4.04Å; I304-A337 CarbonylContact O-C 3.57Å; I304-A337 VanDerWaalsContact O-CA 3.26Å; I304-A337 WeakPolarHBondContact O-CA 3.33Å; I304-Y338 PolarHBondContact O-N 3.32Å
305	T	95.4	Very high	93.6	Very high	18 Å²	18	37.8 Å²	37.8	11%	0.11	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	112.4	178.6	-68.3	0	0	0	0	109.5	F216 G284 L285 I286 Y338	F216-T305 HydrophobicContact CE2-CG2 3.45Å; F216-T305 VanDerWaalsContact CE2-CG2 3.45Å; F216-T305 HydrophobicContact CZ-CG2 3.51Å; G284-T305 PolarHBondContact O-N 3.14Å; L285-T305 CarbonylContact C-O 3.58Å; L285-T305 WeakPolarHBondContact CA-O 3.47Å; L285-T305 HydrophobicContact CD1-CG2 3.61Å; I286-T305 PolarHBondContact N-O 2.93Å; T305-Y338 CarbonylContact C-O 3.57Å; T305-Y338 WeakPolarHBondContact CA-O 3.31Å; T305-Y338 HydrophobicContact CG2-CD1 3.98Å; T305-Y338 HydrophobicContact CG2-CG 4.33Å
306	M	96.4	Very high	93.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.3	-178.5	-166.6	-170.8	-65	0	0	110.9	I270 L274 I286 V288 I298 I300 I304 F328 Y338 V339 G340 M342	I270-M306 HydrophobicContact CG2-CE 3.52Å; I270-M306 HydrophobicContact CG2-SD 4.1Å; L274-M306 HydrophobicContact CD2-CE 4.28Å; I286-M306 HydrophobicContact CB-CB 4.48Å; I286-M306 HydrophobicContact CB-CG 4.22Å; I286-M306 HydrophobicContact CG2-CG 4.25Å; I286-M306 WeakPolarHBondContact O-CA 3.26Å; V288-M306 HydrophobicContact CG2-CG 3.53Å; V288-M306 HydrophobicContact CG2-SD 3.78Å; I298-M306 HydrophobicContact CG2-CE 4.29Å; I300-M306 HydrophobicContact CD1-CE 4.46Å; I304-M306 HydrophobicContact CD1-CB 4.4Å; I304-M306 HydrophobicContact CD1-CE 4.04Å; M306-F328 HydrophobicContact CE-CE1 4.35Å; M306-F328 HydrophobicContact SD-CE1 4.06Å; M306-F328 HydrophobicContact SD-CZ 3.88Å; M306-Y338 PolarHBondContact N-O 2.9Å; M306-V339 HydrophobicContact CB-CG2 4.34Å; M306-V339 VanDerWaalsContact O-CA 3.31Å; M306-V339 WeakPolarHBondContact O-CA 3.22Å; M306-G340 PolarHBondContact O-N 3.15Å; M306-M342 HydrophobicContact CG-CE 4.07Å; M306-M342 HydrophobicContact SD-CE 4.29Å
307	I	96.6	Very high	94	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	139.7	-179	54.3	176.5	0	0	0	112.9	F216 L285 I286 F287 V288 Y338 G340 Y341	F216-I307 HydrophobicContact CD1-CD1 3.88Å; F216-I307 HydrophobicContact CD2-CG2 4.47Å; F216-I307 HydrophobicContact CE1-CD1 3.56Å; F216-I307 HydrophobicContact CE2-CG2 4.46Å; F216-I307 HydrophobicContact CZ-CD1 4.14Å; L285-I307 HydrophobicContact CD1-CD1 4.1Å; L285-I307 HydrophobicContact CD1-CG1 4.22Å; I286-I307 PolarHBondContact O-N 3.4Å; F287-I307 WeakPolarHBondContact CA-O 2.98Å; F287-I307 HydrophobicContact CD1-CD1 3.96Å; F287-I307 HydrophobicContact CD1-CG1 3.9Å; F287-I307 HydrophobicContact CE1-CD1 3.64Å; F287-I307 HydrophobicContact CE1-CG1 4.08Å; V288-I307 PolarHBondContact N-O 3.18Å; I307-Y338 HydrophobicContact CG2-CD1 3.93Å; I307-Y338 HydrophobicContact CG2-CE1 3.59Å; I307-G340 WeakPolarHBondContact CA-O 3.14Å; I307-Y341 HydrophobicContact CG2-CD2 4.39Å
308	G	97.3	Very high	94.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	139.9	172	0	0	0	0	0	111.9	Y204 V288 V314 G340	Y204-G308 WeakPolarHBondContact CE1-O 3.5Å; Y204-G308 PolarHBondContact OH-O 2.91Å; V288-G308 CarbonylContact O-C 3.59Å; V288-G308 WeakPolarHBondContact O-CA 3.41Å; G308-V314 WeakPolarHBondContact O-CG1 3.41Å; G308-G340 PolarHBondContact N-O 3.15Å
309	A	96.8	Very high	94.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	102.5	179.7	0	0	0	0	0	111.1	Y204 F287 V288 H289 S290	Y204-A309 HydrophobicContact CE1-CB 4.4Å; F287-A309 HydrophobicContact CB-CB 4.01Å; F287-A309 HydrophobicContact CD1-CB 4.29Å; V288-A309 PolarHBondContact O-N 3.34Å; H289-A309 CarbonylContact C-O 3.52Å; H289-A309 VanDerWaalsContact CA-O 3.3Å; H289-A309 WeakPolarHBondContact CA-O 3.34Å; H289-A309 PolarHBondContact CE1-O 3.4Å; S290-A309 PolarHBondContact N-O 3.15Å
310	A	95.6	Very high	94.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.179	C	C	.	.			trans	-158.2	159.1	-176.5	0	0	0	0	0	112.6	V314 K317 V318	A310-V314 HydrophobicContact CB-CG1 4.07Å; A310-K317 HydrophobicContact CB-CB 3.78Å; A310-K317 HydrophobicContact CB-CD 4.14Å; A310-V318 HydrophobicContact CB-CG2 3.96Å
311	P	92.5	Very high	94.7	Very high	41 Å²	41	34.2 Å²	34.2	27%	0.266	19%	0.187	S	C	.	.	S	Bend	trans	-81.7	127.7	-179	25	-22.2	0	0	0	111.9	E203 T205 K317	E203-P311 VanDerWaalsContact O-CA 3.3Å; E203-P311 WeakPolarHBondContact O-CA 3.44Å; E203-P311 WeakPolarHBondContact O-CB 3.14Å; T205-P311 HydrophobicContact CG2-CB 3.86Å; P311-K317 WeakPolarHBondContact O-CE 3.35Å; P311-K317 PolarHBondContact O-NZ 3.36Å
312	G	89.7	Confident	94.7	Very high	33 Å²	33	28.4 Å²	28.4	34%	0.34	16%	0.16	S	C	.	.	S	Bend	trans	87.5	-134.5	-177.7	0	0	0	0	0	113	T205 V314	T205-G312 PolarHBondContact OG1-N 3.46Å; T205-G312 VanDerWaalsContact OG1-N 3.09Å; G312-V314 PolarHBondContact O-N 3.43Å
313	K	91	Very high	94.8	Very high	125 Å²	125	28.3 Å²	28.3	54%	0.543	16%	0.158	S	C	.	.	S	Bend	trans	-77.8	99	178.2	-176.7	157.8	167.4	-81.3	0	109.8	A315 D316	K313-A315 PolarHBondContact O-N 3.36Å; K313-D316 WeakPolarHBondContact CD-OD2 3.34Å; K313-D316 VanDerWaalsContact CG-OD2 3.3Å; K313-D316 WeakPolarHBondContact CG-OD2 3.31Å; K313-D316 IonicContact NZ-OD1 2.75Å; K313-D316 PolarHBondContact NZ-OD1 2.61Å; K313-D316 IonicContact NZ-OD2 3.29Å; K313-D316 PolarHBondContact NZ-OD2 2.63Å; K313-D316 PolarHBondContact O-N 2.71Å; K313-D316 VanDerWaalsContact O-N 3.14Å
314	V	94.3	Very high	94.6	Very high	8 Å²	8	31.3 Å²	31.3	5%	0.048	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-56.6	-47.6	-167.8	-171.9	0	0	0	0	112.9	Y204 G308 A310 G312 D316 K317 V318 Y341	Y204-V314 HydrophobicContact CD1-CG2 4.04Å; Y204-V314 HydrophobicContact CE1-CG2 3.99Å; G308-V314 WeakPolarHBondContact O-CG1 3.41Å; A310-V314 HydrophobicContact CB-CG1 4.07Å; G312-V314 PolarHBondContact O-N 3.43Å; V314-D316 PolarHBondContact O-N 2.97Å; V314-D316 VanDerWaalsContact O-N 3.09Å; V314-K317 PolarHBondContact O-N 2.88Å; V314-V318 HydrophobicContact CG1-CG2 3.86Å; V314-V318 PolarHBondContact O-N 2.92Å; V314-Y341 WeakPolarHBondContact CB-O 3.37Å; V314-Y341 WeakPolarHBondContact CG1-O 3.44Å
315	A	92.3	Very high	94.5	Very high	9 Å²	9	33.1 Å²	33.1	7%	0.074	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-63	-16.8	-178.6	0	0	0	0	0	114.5	K313 K317 Y341 T343 I376	K313-A315 PolarHBondContact O-N 3.36Å; A315-K317 PolarHBondContact O-N 2.74Å; A315-Y341 PolarHBondContact N-O 2.89Å; A315-T343 WeakPolarHBondContact O-CB 3.05Å; A315-T343 PolarHBondContact O-OG1 3.38Å; A315-I376 HydrophobicContact CB-CD1 3.73Å; A315-I376 HydrophobicContact CB-CG1 3.97Å
316	D	94.1	Very high	94.5	Very high	89 Å²	89	32.5 Å²	32.5	48%	0.476	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-82	-2.8	174.3	-62.5	-16.7	0	0	0	112.7	K313 V314	K313-D316 WeakPolarHBondContact CD-OD2 3.34Å; K313-D316 VanDerWaalsContact CG-OD2 3.3Å; K313-D316 WeakPolarHBondContact CG-OD2 3.31Å; K313-D316 IonicContact NZ-OD1 2.75Å; K313-D316 PolarHBondContact NZ-OD1 2.61Å; K313-D316 IonicContact NZ-OD2 3.29Å; K313-D316 PolarHBondContact NZ-OD2 2.63Å; K313-D316 PolarHBondContact O-N 2.71Å; K313-D316 VanDerWaalsContact O-N 3.14Å; V314-D316 PolarHBondContact O-N 2.97Å; V314-D316 VanDerWaalsContact O-N 3.09Å
317	K	96.5	Very high	94.5	Very high	85 Å²	85	32.5 Å²	32.5	37%	0.37	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.7	-22.3	-171.9	-67.4	-174.6	176	-178.8	0	114.7	S290 G291 A310 P311 V314 A315	S290-K317 CarbonylContact C-O 3.59Å; G291-K317 PolarHBondContact N-O 2.89Å; A310-K317 HydrophobicContact CB-CB 3.78Å; A310-K317 HydrophobicContact CB-CD 4.14Å; P311-K317 WeakPolarHBondContact O-CE 3.35Å; P311-K317 PolarHBondContact O-NZ 3.36Å; V314-K317 PolarHBondContact O-N 2.88Å; A315-K317 PolarHBondContact O-N 2.74Å
318	V	97.9	Very high	94.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	104.4	170.7	-175.7	0	0	0	0	106.7	V288 A310 V314 M342 T343	V288-V318 HydrophobicContact CB-CG1 4.05Å; V288-V318 HydrophobicContact CG1-CG1 3.72Å; V288-V318 WeakPolarHBondContact O-CG2 3.36Å; A310-V318 HydrophobicContact CB-CG2 3.96Å; V314-V318 HydrophobicContact CG1-CG2 3.86Å; V314-V318 PolarHBondContact O-N 2.92Å; V318-M342 HydrophobicContact CB-CB 4.28Å; V318-M342 HydrophobicContact CG1-CB 3.94Å; V318-T343 PolarHBondContact O-N 2.82Å
319	I	97.9	Very high	94.5	Very high	19 Å²	19	32.9 Å²	32.9	10%	0.097	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	121.8	-176.2	-57.3	174.3	0	0	0	107.9	G291 I292 Y293 T343	G291-I319 PolarHBondContact O-N 3.45Å; I292-I319 CarbonylContact C-O 3.56Å; I292-I319 WeakPolarHBondContact CA-O 3.31Å; I292-I319 HydrophobicContact CG1-CB 4.34Å; I292-I319 HydrophobicContact CG1-CD1 4.35Å; I292-I319 HydrophobicContact CG2-CB 4.32Å; I292-I319 HydrophobicContact CG2-CG2 4.26Å; Y293-I319 PolarHBondContact N-O 3.02Å; I319-T343 WeakPolarHBondContact CA-O 3.35Å; I319-T343 HydrophobicContact CG2-CG2 4.24Å
320	I	98	Very high	94.5	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.015	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	125.8	172.4	-56	177.4	0	0	0	107.2	I270 Y293 I298 T327 F328 M342 T343 I344 R345	I270-I320 HydrophobicContact CD1-CD1 3.61Å; I270-I320 HydrophobicContact CD1-CG1 4.06Å; Y293-I320 HydrophobicContact CD2-CG1 4.28Å; I298-I320 HydrophobicContact CD1-CD1 4.29Å; I298-I320 HydrophobicContact CD1-CG2 3.49Å; I298-I320 VanDerWaalsContact CD1-CG2 3.49Å; I320-T327 HydrophobicContact CG2-CG2 3.85Å; I320-F328 HydrophobicContact CB-CE2 4.37Å; I320-F328 HydrophobicContact CD1-CE2 3.7Å; I320-F328 HydrophobicContact CD1-CZ 3.76Å; I320-F328 HydrophobicContact CG2-CE2 4.07Å; I320-M342 HydrophobicContact CD1-SD 3.57Å; I320-M342 VanDerWaalsContact CD1-SD 3.57Å; I320-T343 PolarHBondContact N-O 2.86Å; I320-I344 CarbonylContact O-C 3.56Å; I320-I344 WeakPolarHBondContact O-CA 3.44Å; I320-R345 PolarHBondContact O-N 2.62Å
321	E	95.9	Very high	94.5	Very high	37 Å²	37	35.4 Å²	35.4	17%	0.173	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	141.6	-171.3	-169.1	160.5	155.7	0	0	110.6	Y293 T294 D295 R345 N347	Y293-E321 PolarHBondContact O-N 3.04Å; T294-E321 CarbonylContact C-O 3.52Å; T294-E321 VanDerWaalsContact CA-O 3.26Å; T294-E321 WeakPolarHBondContact CA-O 3.27Å; D295-E321 PolarHBondContact N-O 2.87Å; E321-R345 WeakPolarHBondContact CA-O 3.43Å; E321-R345 HydrophobicContact CB-CB 4.06Å; E321-R345 HydrophobicContact CG-CB 3.77Å; E321-R345 WeakPolarHBondContact OE2-CD 3.47Å; E321-R345 IonicContact OE2-CZ 2.65Å; E321-R345 IonicContact OE2-NE 3.3Å; E321-R345 IonicContact OE2-NH1 2.67Å; E321-R345 PolarHBondContact OE2-NH1 3.37Å; E321-N347 VanDerWaalsContact CD-ND2 3.33Å; E321-N347 HydrophobicContact CG-CB 4.48Å; E321-N347 PolarHBondContact OE1-ND2 3.18Å
322	N	94.6	Very high	94.5	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	140.6	177.2	-164.4	-44.2	0	0	0	109.4	D295 E296 R324 D325 T327 R345 F346 N347	D295-N322 WeakPolarHBondContact OD1-CA 3.38Å; E296-N322 PolarHBondContact O-ND2 3.22Å; N322-R324 PolarHBondContact OD1-N 3.09Å; N322-D325 VanDerWaalsContact CG-O 3.28Å; N322-D325 PolarHBondContact OD1-N 3.48Å; N322-D325 PolarHBondContact OD1-O 2.71Å; N322-T327 HydrophobicContact CB-CG2 4.07Å; N322-R345 PolarHBondContact N-O 2.82Å; N322-R345 VanDerWaalsContact N-O 3.14Å; N322-F346 VanDerWaalsContact O-CD2 3.26Å; N322-F346 WeakPolarHBondContact O-CD2 3.23Å; N322-N347 PolarHBondContact O-N 3.35Å
323	T	92.8	Very high	94.5	Very high	31 Å²	31	39.4 Å²	39.4	19%	0.19	19%	0.194	C	C	.	.	S	Bend	trans	-111.3	-2.7	178.2	82.1	0	0	0	0	113.8	D295 N347 P348 D349	D295-T323 PolarHBondContact OD1-N 2.97Å; T323-N347 WeakPolarHBondContact CA-O 3.27Å; T323-N347 VanDerWaalsContact CB-O 3.27Å; T323-N347 WeakPolarHBondContact CB-O 3.28Å; T323-N347 WeakPolarHBondContact CG2-O 3.37Å; T323-P348 WeakPolarHBondContact O-CA 3.32Å; T323-D349 VanDerWaalsContact CB-OD2 3.23Å; T323-D349 WeakPolarHBondContact CB-OD2 3.49Å; T323-D349 PolarHBondContact O-N 2.85Å; T323-D349 PolarHBondContact OG1-OD2 3.21Å
324	R	88.6	Confident	94.6	Very high	151 Å²	151	33.4 Å²	33.4	57%	0.57	17%	0.168	S	C	*	.	S	Bend	trans	-124.1	-36	-168.1	-69.1	-175.5	-87	136.7	-13.9	114.9	D295 N322	D295-R324 VanDerWaalsContact CG-NH2 3.33Å; D295-R324 IonicContact OD2-CZ 2.78Å; D295-R324 IonicContact OD2-NE 2.68Å; D295-R324 PolarHBondContact OD2-NE 2.94Å; D295-R324 IonicContact OD2-NH2 2.71Å; D295-R324 PolarHBondContact OD2-NH2 3.01Å; N322-R324 PolarHBondContact OD1-N 3.09Å
325	D	90.8	Very high	94.5	Very high	43 Å²	43	38.8 Å²	38.8	23%	0.23	19%	0.192	C	C	.	.	S	Bend	trans	-140.9	176.7	-178.5	-146.2	-42.7	0	0	0	110.6	N322 T327 F346 H359	N322-D325 VanDerWaalsContact CG-O 3.28Å; N322-D325 PolarHBondContact OD1-N 3.48Å; N322-D325 PolarHBondContact OD1-O 2.71Å; D325-T327 PolarHBondContact O-N 2.78Å; D325-F346 VanDerWaalsContact O-CD2 3.3Å; D325-F346 WeakPolarHBondContact O-CD2 3.44Å; D325-F346 WeakPolarHBondContact O-CE2 3.16Å; D325-H359 IonicContact OD1-CE1 2.87Å; D325-H359 PolarHBondContact OD1-CE1 2.77Å; D325-H359 VanDerWaalsContact OD1-CE1 3.28Å; D325-H359 IonicContact OD1-CG 3.31Å; D325-H359 IonicContact OD1-ND1 3.64Å; D325-H359 PolarHBondContact OD1-ND1 2.85Å; D325-H359 IonicContact OD2-CE1 2.69Å
326	S	94.4	Very high	94.3	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.028	22%	0.22	C	C	.	.			trans	-61.2	127.3	178.2	-67.6	0	0	0	0	110.9	F328 H359 H360 E363	S326-F328 VanDerWaalsContact C-N 3.29Å; S326-F328 PolarHBondContact O-N 3.2Å; S326-H359 WeakPolarHBondContact OG-CA 3.39Å; S326-H360 CarbonylContact C-O 3.5Å; S326-H360 WeakPolarHBondContact CA-O 3.29Å; S326-H360 WeakPolarHBondContact CB-O 3.27Å; S326-H360 PolarHBondContact OG-N 2.87Å; S326-H360 PolarHBondContact OG-O 2.85Å; S326-E363 WeakPolarHBondContact CB-OE2 3.27Å; S326-E363 PolarHBondContact OG-OE2 3.45Å
327	T	96.4	Very high	94.4	Very high	1 Å²	1	40 Å²	40	1%	0.006	20%	0.197	C	C	.	.	S	Bend	trans	-65.3	-30.1	-169.3	-38.2	0	0	0	0	113.8	I320 N322 D325 I344 R345 H360 C361	I320-T327 HydrophobicContact CG2-CG2 3.85Å; N322-T327 HydrophobicContact CB-CG2 4.07Å; D325-T327 PolarHBondContact O-N 2.78Å; T327-I344 HydrophobicContact CG2-CG2 3.7Å; T327-R345 VanDerWaalsContact CG2-O 3.27Å; T327-R345 WeakPolarHBondContact CG2-O 3.22Å; T327-R345 VanDerWaalsContact OG1-C 3.27Å; T327-R345 PolarHBondContact OG1-O 2.85Å; T327-H360 PolarHBondContact N-O 3.15Å; T327-C361 WeakPolarHBondContact CB-O 3.38Å
328	F	96.9	Very high	94.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.18	C	C	.	.			trans	-141.8	132.5	170.4	-89.7	-104.7	0	0	0	108.1	I298 I300 M306 I320 S326 F330 V339 M342 I344 C361 L362 E363	I298-F328 HydrophobicContact CB-CD1 4.49Å; I298-F328 HydrophobicContact CD1-CD2 4.46Å; I298-F328 HydrophobicContact CD1-CE2 4.01Å; I298-F328 HydrophobicContact CD1-CZ 4.19Å; I298-F328 HydrophobicContact CG2-CD1 3.56Å; I298-F328 HydrophobicContact CG2-CD2 4.42Å; I298-F328 HydrophobicContact CG2-CE1 3.51Å; I298-F328 HydrophobicContact CG2-CE2 4.38Å; I298-F328 HydrophobicContact CG2-CG 4.05Å; I298-F328 HydrophobicContact CG2-CZ 3.94Å; I300-F328 HydrophobicContact CG1-CD1 4.38Å; M306-F328 HydrophobicContact CE-CE1 4.35Å; M306-F328 HydrophobicContact SD-CE1 4.06Å; M306-F328 HydrophobicContact SD-CZ 3.88Å; I320-F328 HydrophobicContact CB-CE2 4.37Å; I320-F328 HydrophobicContact CD1-CE2 3.7Å; I320-F328 HydrophobicContact CD1-CZ 3.76Å; I320-F328 HydrophobicContact CG2-CE2 4.07Å; S326-F328 VanDerWaalsContact C-N 3.29Å; S326-F328 PolarHBondContact O-N 3.2Å; F328-F330 HydrophobicContact CB-CE2 4.15Å; F328-F330 HydrophobicContact CD1-CE2 4.09Å; F328-F330 HydrophobicContact CD1-CZ 4.24Å; F328-V339 HydrophobicContact CD1-CG2 4.32Å; F328-V339 HydrophobicContact CE1-CB 4.49Å; F328-V339 HydrophobicContact CE1-CG1 3.86Å; F328-V339 HydrophobicContact CE1-CG2 3.8Å; F328-V339 HydrophobicContact CZ-CG1 3.95Å; F328-M342 HydrophobicContact CE2-SD 4.4Å; F328-M342 HydrophobicContact CZ-SD 4.02Å; F328-I344 HydrophobicContact CD2-CD1 4.05Å; F328-I344 HydrophobicContact CD2-CG1 4.49Å; F328-I344 HydrophobicContact CD2-CG2 3.65Å; F328-I344 HydrophobicContact CE2-CD1 3.96Å; F328-I344 HydrophobicContact CE2-CG1 4.19Å; F328-I344 HydrophobicContact CE2-CG2 4Å; F328-C361 PolarHBondContact N-O 2.65Å; F328-L362 HydrophobicContact CB-CD1 3.7Å; F328-L362 HydrophobicContact CG-CD1 4.37Å; F328-E363 PolarHBondContact O-N 2.75Å
329	V	96.9	Very high	94.4	Very high	8 Å²	8	36 Å²	36	5%	0.048	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	117	174.7	-174.4	0	0	0	0	109.6	I298 Y299 I300 M331 E363	I298-V329 PolarHBondContact O-N 3.27Å; Y299-V329 HydrophobicContact CD1-CB 3.66Å; Y299-V329 HydrophobicContact CD1-CG1 4.03Å; Y299-V329 HydrophobicContact CD1-CG2 4.13Å; Y299-V329 HydrophobicContact CE1-CB 3.84Å; Y299-V329 HydrophobicContact CE1-CG1 4.13Å; Y299-V329 HydrophobicContact CE1-CG2 3.8Å; I300-V329 PolarHBondContact N-O 3.15Å; V329-M331 HydrophobicContact CG1-CG 3.91Å; V329-M331 HydrophobicContact CG1-SD 4.33Å; V329-E363 WeakPolarHBondContact CA-O 3.44Å; V329-E363 HydrophobicContact CG1-CB 4.47Å; V329-E363 HydrophobicContact CG2-CB 4.29Å
330	F	97.4	Very high	94.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	122.2	175.1	-70	-94.4	0	0	0	110.3	I300 F328 A337 V339 L362 E363 I364 T365 P370	I300-F330 HydrophobicContact CB-CD1 3.81Å; I300-F330 HydrophobicContact CB-CE1 4.03Å; I300-F330 HydrophobicContact CB-CG 4.42Å; I300-F330 HydrophobicContact CG1-CD1 4.17Å; I300-F330 HydrophobicContact CG1-CE1 3.98Å; I300-F330 HydrophobicContact CG1-CZ 4.3Å; I300-F330 HydrophobicContact CG2-CD1 4.01Å; I300-F330 HydrophobicContact CG2-CE1 4.04Å; F328-F330 HydrophobicContact CB-CE2 4.15Å; F328-F330 HydrophobicContact CD1-CE2 4.09Å; F328-F330 HydrophobicContact CD1-CZ 4.24Å; F330-A337 HydrophobicContact CE1-CB 4.27Å; F330-V339 HydrophobicContact CE1-CG2 4.25Å; F330-V339 HydrophobicContact CZ-CB 4.41Å; F330-V339 HydrophobicContact CZ-CG2 3.65Å; F330-L362 HydrophobicContact CD2-CD1 4.22Å; F330-L362 HydrophobicContact CE2-CD1 3.63Å; F330-E363 PolarHBondContact N-O 3.15Å; F330-I364 HydrophobicContact CB-CG1 4.34Å; F330-I364 HydrophobicContact CD2-CG1 4Å; F330-I364 HydrophobicContact CG-CG1 4.44Å; F330-T365 WeakPolarHBondContact O-CB 3.44Å; F330-T365 PolarHBondContact O-N 3Å; F330-T365 VanDerWaalsContact O-N 3.15Å; F330-T365 PolarHBondContact O-OG1 3.13Å; F330-P370 HydrophobicContact CB-CG 4.1Å; F330-P370 HydrophobicContact CD1-CB 3.39Å; F330-P370 HydrophobicContact CD1-CG 3.58Å; F330-P370 HydrophobicContact CD2-CG 4.3Å; F330-P370 HydrophobicContact CE1-CB 3.37Å; F330-P370 HydrophobicContact CE1-CG 3.99Å; F330-P370 HydrophobicContact CG-CB 4.07Å; F330-P370 HydrophobicContact CG-CG 3.74Å; F330-P370 HydrophobicContact CZ-CB 4.04Å; F330-P370 HydrophobicContact CZ-CG 4.49Å
331	M	94.9	Very high	94.3	Very high	53 Å²	53	36 Å²	36	26%	0.261	18%	0.179	S	C	.	.			trans	-117.9	170.8	-177.4	-59.8	-161.7	-63	0	0	111.5	Y299 I300 E301 V329 G333 S334	Y299-M331 HydrophobicContact CD1-CE 3.96Å; Y299-M331 HydrophobicContact CD1-SD 4.37Å; I300-M331 PolarHBondContact O-N 3.41Å; E301-M331 HydrophobicContact CG-CB 4.49Å; E301-M331 HydrophobicContact CG-CE 3.71Å; E301-M331 WeakPolarHBondContact OE1-CE 3.47Å; V329-M331 HydrophobicContact CG1-CG 3.91Å; V329-M331 HydrophobicContact CG1-SD 4.33Å; M331-G333 PolarHBondContact O-N 2.92Å; M331-S334 PolarHBondContact N-OG 2.87Å; M331-S334 WeakPolarHBondContact O-CB 3.37Å; M331-S334 PolarHBondContact O-N 2.89Å; M331-S334 PolarHBondContact O-OG 3.49Å
332	E	93.7	Very high	94.4	Very high	125 Å²	125	34.2 Å²	34.2	58%	0.584	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	130	177.5	-175.5	166.7	-127.2	0	0	110.5	N367	E332-N367 HydrophobicContact CB-CB 4.48Å; E332-N367 HydrophobicContact CG-CB 4.03Å; E332-N367 WeakPolarHBondContact OE1-CB 3.43Å; E332-N367 PolarHBondContact OE1-ND2 3.43Å
333	G	89.4	Confident	94.6	Very high	32 Å²	32	34.2 Å²	34.2	33%	0.33	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.1	-16.6	-170.3	0	0	0	0	0	115	E301 S302 M331 E335	E301-G333 CarbonylContact O-C 3.52Å; S302-G333 CarbonylContact C-O 3.52Å; S302-G333 WeakPolarHBondContact CA-O 3.36Å; M331-G333 PolarHBondContact O-N 2.92Å; G333-E335 PolarHBondContact O-N 2.97Å; G333-E335 VanDerWaalsContact O-N 3.09Å
334	S	93.1	Very high	94.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.			trans	-80.9	33.5	169.9	64.4	0	0	0	0	114.3	I300 M331 C368	I300-S334 WeakPolarHBondContact O-CB 3.32Å; M331-S334 PolarHBondContact N-OG 2.87Å; M331-S334 WeakPolarHBondContact O-CB 3.37Å; M331-S334 PolarHBondContact O-N 2.89Å; M331-S334 PolarHBondContact O-OG 3.49Å; S334-C368 VanDerWaalsContact OG-CB 3.31Å; S334-C368 WeakPolarHBondContact OG-CB 3.31Å
335	E	91.2	Very high	95.3	Very high	121 Å²	121	28.9 Å²	28.9	57%	0.565	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	141.3	166.6	-60.1	-175.8	163.1	0	0	109.6	P303 G333 A337 S369	P303-E335 WeakPolarHBondContact CA-O 3.3Å; P303-E335 VanDerWaalsContact CB-O 3.25Å; P303-E335 WeakPolarHBondContact CB-O 3.25Å; G333-E335 PolarHBondContact O-N 2.97Å; G333-E335 VanDerWaalsContact O-N 3.09Å; E335-A337 PolarHBondContact O-N 2.89Å; E335-S369 WeakPolarHBondContact CA-OG 3.34Å
336	D	89.3	Confident	95.5	Very high	121 Å²	121	27.1 Å²	27.1	65%	0.647	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	5	-178.9	-65.7	-23.8	0	0	0	116.9	S369	D336-S369 PolarHBondContact N-OG 2.98Å
337	A	95.7	Very high	95.5	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.008	15%	0.146	C	C	.	.			trans	-61.7	140.9	176.1	0	0	0	0	0	111.2	I300 I304 F330 E335 P370 I371	I300-A337 HydrophobicContact CG2-CB 4.09Å; I304-A337 CarbonylContact O-C 3.57Å; I304-A337 VanDerWaalsContact O-CA 3.26Å; I304-A337 WeakPolarHBondContact O-CA 3.33Å; F330-A337 HydrophobicContact CE1-CB 4.27Å; E335-A337 PolarHBondContact O-N 2.89Å; A337-P370 HydrophobicContact CB-CB 4.47Å; A337-P370 CarbonylContact O-C 3.5Å; A337-P370 VanDerWaalsContact O-CA 3.31Å; A337-P370 WeakPolarHBondContact O-CA 3.43Å; A337-I371 PolarHBondContact O-N 3.11Å
338	Y	96.9	Very high	95.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132	-174.8	-177.4	-81	0	0	0	111.4	G214 F216 I304 T305 M306 I307 I371 D373	G214-Y338 VanDerWaalsContact O-CE2 3.31Å; G214-Y338 WeakPolarHBondContact O-CE2 3.43Å; F216-Y338 HydrophobicContact CD2-CD1 4.04Å; F216-Y338 AromaticContact CD2-CE1 3.52Å; F216-Y338 HydrophobicContact CD2-CE1 3.52Å; F216-Y338 HydrophobicContact CD2-CE2 4.15Å; F216-Y338 AromaticContact CD2-CZ 3.59Å; F216-Y338 HydrophobicContact CE2-CD1 4.01Å; F216-Y338 AromaticContact CE2-CE1 3.96Å; F216-Y338 HydrophobicContact CE2-CE1 3.96Å; F216-Y338 HydrophobicContact CE2-CG 4.44Å; F216-Y338 HydrophobicContact CG-CE1 4.38Å; I304-Y338 PolarHBondContact O-N 3.32Å; T305-Y338 CarbonylContact C-O 3.57Å; T305-Y338 WeakPolarHBondContact CA-O 3.31Å; T305-Y338 HydrophobicContact CG2-CD1 3.98Å; T305-Y338 HydrophobicContact CG2-CG 4.33Å; M306-Y338 PolarHBondContact N-O 2.9Å; I307-Y338 HydrophobicContact CG2-CD1 3.93Å; I307-Y338 HydrophobicContact CG2-CE1 3.59Å; Y338-I371 CarbonylContact C-O 3.5Å; Y338-I371 WeakPolarHBondContact CA-O 3.29Å; Y338-I371 HydrophobicContact CD2-CB 3.79Å; Y338-I371 HydrophobicContact CD2-CD1 4.47Å; Y338-I371 HydrophobicContact CD2-CG2 3.59Å; Y338-I371 HydrophobicContact CE2-CB 4.5Å; Y338-I371 HydrophobicContact CE2-CG2 3.8Å; Y338-D373 HydrophobicContact CE2-CB 3.77Å; Y338-D373 WeakPolarHBondContact OH-CB 3.29Å; Y338-D373 VanDerWaalsContact OH-CG 3.3Å; Y338-D373 PolarHBondContact OH-OD2 2.98Å
339	V	97.6	Very high	94.5	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.012	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	124.7	172.6	177.4	0	0	0	0	110.1	M306 F328 F330 M342 I344 I371 I372 D373	M306-V339 HydrophobicContact CB-CG2 4.34Å; M306-V339 VanDerWaalsContact O-CA 3.31Å; M306-V339 WeakPolarHBondContact O-CA 3.22Å; F328-V339 HydrophobicContact CD1-CG2 4.32Å; F328-V339 HydrophobicContact CE1-CB 4.49Å; F328-V339 HydrophobicContact CE1-CG1 3.86Å; F328-V339 HydrophobicContact CE1-CG2 3.8Å; F328-V339 HydrophobicContact CZ-CG1 3.95Å; F330-V339 HydrophobicContact CE1-CG2 4.25Å; F330-V339 HydrophobicContact CZ-CB 4.41Å; F330-V339 HydrophobicContact CZ-CG2 3.65Å; V339-M342 HydrophobicContact CG1-CE 3.85Å; V339-M342 HydrophobicContact CG1-CG 4.46Å; V339-M342 HydrophobicContact CG1-SD 3.66Å; V339-I344 HydrophobicContact CG1-CD1 4.24Å; V339-I371 PolarHBondContact N-O 3.34Å; V339-I372 WeakPolarHBondContact O-CA 3.31Å; V339-D373 PolarHBondContact O-N 2.98Å
340	G	96.9	Very high	93.3	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	164	-174	0	0	0	0	0	118.9	M306 I307 G308 M342 D373 C375	M306-G340 PolarHBondContact O-N 3.15Å; I307-G340 WeakPolarHBondContact CA-O 3.14Å; G308-G340 PolarHBondContact N-O 3.15Å; G340-M342 VanDerWaalsContact C-N 3.35Å; G340-M342 WeakPolarHBondContact O-CE 3.38Å; G340-M342 PolarHBondContact O-N 2.81Å; G340-D373 WeakPolarHBondContact CA-O 3.11Å; G340-C375 VanDerWaalsContact CA-SG 3.59Å
341	Y	97	Very high	91.9	Very high	21 Å²	21	45 Å²	45	8%	0.082	23%	0.228	C	C	.	.	S	Bend	trans	60.4	28.5	173.3	-59.7	-78.6	0	0	0	116.6	M208 F216 I307 V314 A315 D373 H374	M208-Y341 HydrophobicContact CE-CD1 4.27Å; M208-Y341 HydrophobicContact CE-CD2 3.67Å; M208-Y341 HydrophobicContact CE-CE1 4.22Å; M208-Y341 HydrophobicContact CE-CE2 3.6Å; M208-Y341 HydrophobicContact CE-CG 4.02Å; M208-Y341 HydrophobicContact SD-CE2 4.26Å; F216-Y341 HydrophobicContact CB-CE2 3.77Å; F216-Y341 PolarHBondContact O-OH 3.48Å; I307-Y341 HydrophobicContact CG2-CD2 4.39Å; V314-Y341 WeakPolarHBondContact CB-O 3.37Å; V314-Y341 WeakPolarHBondContact CG1-O 3.44Å; A315-Y341 PolarHBondContact N-O 2.89Å; Y341-D373 PolarHBondContact N-O 2.88Å; Y341-D373 VanDerWaalsContact N-O 3.15Å; Y341-H374 HydrophobicContact CD1-CB 3.64Å; Y341-H374 HydrophobicContact CE1-CB 3.59Å; Y341-H374 AromaticContact CE1-CD2 3.5Å; Y341-H374 AromaticContact CE1-CG 3.47Å; Y341-H374 VanDerWaalsContact CE1-CG 3.47Å; Y341-H374 HydrophobicContact CG-CB 4.25Å; Y341-H374 AromaticContact CZ-CG 3.9Å; Y341-H374 AromaticContact CZ-ND1 4Å
342	M	97.8	Very high	90.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-131	164.2	-176.1	59	-176.2	75	0	0	112.9	M306 V318 I320 F328 V339 G340 I344 C375 I376	M306-M342 HydrophobicContact CG-CE 4.07Å; M306-M342 HydrophobicContact SD-CE 4.29Å; V318-M342 HydrophobicContact CB-CB 4.28Å; V318-M342 HydrophobicContact CG1-CB 3.94Å; I320-M342 HydrophobicContact CD1-SD 3.57Å; I320-M342 VanDerWaalsContact CD1-SD 3.57Å; F328-M342 HydrophobicContact CE2-SD 4.4Å; F328-M342 HydrophobicContact CZ-SD 4.02Å; V339-M342 HydrophobicContact CG1-CE 3.85Å; V339-M342 HydrophobicContact CG1-CG 4.46Å; V339-M342 HydrophobicContact CG1-SD 3.66Å; G340-M342 VanDerWaalsContact C-N 3.35Å; G340-M342 WeakPolarHBondContact O-CE 3.38Å; G340-M342 PolarHBondContact O-N 2.81Å; M342-I344 HydrophobicContact CG-CD1 4.4Å; M342-I344 HydrophobicContact CG-CG1 4.01Å; M342-I344 HydrophobicContact SD-CD1 4.43Å; M342-I344 HydrophobicContact SD-CG1 4.28Å; M342-C375 CarbonylContact O-C 3.51Å; M342-C375 VanDerWaalsContact O-CA 3.29Å; M342-C375 WeakPolarHBondContact O-CA 3.44Å; M342-I376 PolarHBondContact O-N 2.82Å
343	T	98.6	Very high	88.4	Confident	5 Å²	5	43.1 Å²	43.1	3%	0.031	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	129	164.5	-72.6	0	0	0	0	109.3	A315 V318 I319 I320 R345 I376	A315-T343 WeakPolarHBondContact O-CB 3.05Å; A315-T343 PolarHBondContact O-OG1 3.38Å; V318-T343 PolarHBondContact O-N 2.82Å; I319-T343 WeakPolarHBondContact CA-O 3.35Å; I319-T343 HydrophobicContact CG2-CG2 4.24Å; I320-T343 PolarHBondContact N-O 2.86Å; T343-R345 HydrophobicContact CG2-CG 3.84Å; T343-I376 CarbonylContact C-O 3.52Å; T343-I376 VanDerWaalsContact CA-O 3.27Å; T343-I376 WeakPolarHBondContact CA-O 3.21Å
344	I	98.4	Very high	86.8	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133.9	176.7	-45.7	178.1	0	0	0	108.2	I320 T327 F328 V339 M342 C361 C375 I376 I377 R378	I320-I344 CarbonylContact O-C 3.56Å; I320-I344 WeakPolarHBondContact O-CA 3.44Å; T327-I344 HydrophobicContact CG2-CG2 3.7Å; F328-I344 HydrophobicContact CD2-CD1 4.05Å; F328-I344 HydrophobicContact CD2-CG1 4.49Å; F328-I344 HydrophobicContact CD2-CG2 3.65Å; F328-I344 HydrophobicContact CE2-CD1 3.96Å; F328-I344 HydrophobicContact CE2-CG1 4.19Å; F328-I344 HydrophobicContact CE2-CG2 4Å; V339-I344 HydrophobicContact CG1-CD1 4.24Å; M342-I344 HydrophobicContact CG-CD1 4.4Å; M342-I344 HydrophobicContact CG-CG1 4.01Å; M342-I344 HydrophobicContact SD-CD1 4.43Å; M342-I344 HydrophobicContact SD-CG1 4.28Å; I344-C361 VanDerWaalsContact C-SG 3.57Å; I344-C375 HydrophobicContact CD1-CB 4.49Å; I344-I376 PolarHBondContact N-O 3.04Å; I344-I377 WeakPolarHBondContact O-CA 3.36Å; I344-R378 PolarHBondContact O-N 2.66Å
345	R	97.6	Very high	85	Confident	70 Å²	70	56.4 Å²	56.4	26%	0.264	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	139.8	-173.7	-68.9	171.7	-178.8	-178	2.7	113.6	I320 E321 N322 T327 T343 C361 R378	I320-R345 PolarHBondContact O-N 2.62Å; E321-R345 WeakPolarHBondContact CA-O 3.43Å; E321-R345 HydrophobicContact CB-CB 4.06Å; E321-R345 HydrophobicContact CG-CB 3.77Å; E321-R345 WeakPolarHBondContact OE2-CD 3.47Å; E321-R345 IonicContact OE2-CZ 2.65Å; E321-R345 IonicContact OE2-NE 3.3Å; E321-R345 IonicContact OE2-NH1 2.67Å; E321-R345 PolarHBondContact OE2-NH1 3.37Å; N322-R345 PolarHBondContact N-O 2.82Å; N322-R345 VanDerWaalsContact N-O 3.14Å; T327-R345 VanDerWaalsContact CG2-O 3.27Å; T327-R345 WeakPolarHBondContact CG2-O 3.22Å; T327-R345 VanDerWaalsContact OG1-C 3.27Å; T327-R345 PolarHBondContact OG1-O 2.85Å; T343-R345 HydrophobicContact CG2-CG 3.84Å; R345-C361 VanDerWaalsContact CA-SG 3.51Å; R345-C361 PolarHBondContact N-SG 3.46Å; R345-R378 VanDerWaalsContact CA-O 3.3Å; R345-R378 WeakPolarHBondContact CA-O 3.5Å; R345-R378 HydrophobicContact CG-CB 4.44Å
346	F	95.8	Very high	82.8	Confident	6 Å²	6	58.6 Å²	58.6	3%	0.026	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	116.5	165	-176	-133.7	0	0	0	110.2	N322 D325 P348 H359 C361 R378 S379 T380 C381	N322-F346 VanDerWaalsContact O-CD2 3.26Å; N322-F346 WeakPolarHBondContact O-CD2 3.23Å; D325-F346 VanDerWaalsContact O-CD2 3.3Å; D325-F346 WeakPolarHBondContact O-CD2 3.44Å; D325-F346 WeakPolarHBondContact O-CE2 3.16Å; F346-P348 HydrophobicContact CD1-CG 4.41Å; F346-P348 HydrophobicContact CE1-CB 4.34Å; F346-P348 HydrophobicContact CE1-CG 3.95Å; F346-P348 HydrophobicContact CE2-CB 4.21Å; F346-P348 HydrophobicContact CE2-CG 4.5Å; F346-P348 HydrophobicContact CZ-CB 3.85Å; F346-P348 HydrophobicContact CZ-CG 3.98Å; F346-H359 HydrophobicContact CE1-CB 3.89Å; F346-H359 WeakPolarHBondContact CE1-O 3.18Å; F346-H359 HydrophobicContact CE2-CB 4.45Å; F346-H359 HydrophobicContact CZ-CB 3.65Å; F346-C361 HydrophobicContact CB-CB 3.62Å; F346-C361 PolarHBondContact N-SG 2.96Å; F346-C361 VanDerWaalsContact N-SG 3.43Å; F346-R378 PolarHBondContact N-O 2.98Å; F346-R378 VanDerWaalsContact N-O 3.11Å; F346-S379 CarbonylContact O-C 3.59Å; F346-S379 WeakPolarHBondContact O-CA 3.34Å; F346-T380 PolarHBondContact O-N 3.25Å; F346-C381 HydrophobicContact CD1-CB 3.62Å; F346-C381 HydrophobicContact CE1-CB 3.67Å
347	N	93.4	Very high	81.3	Confident	38 Å²	38	58.7 Å²	58.7	20%	0.203	30%	0.301	C	S	.	.			trans	-130	70.4	-173.5	-80.3	-24.5	0	0	0	110.2	E321 N322 T323 D349 T380	E321-N347 VanDerWaalsContact CD-ND2 3.33Å; E321-N347 HydrophobicContact CG-CB 4.48Å; E321-N347 PolarHBondContact OE1-ND2 3.18Å; N322-N347 PolarHBondContact O-N 3.35Å; T323-N347 WeakPolarHBondContact CA-O 3.27Å; T323-N347 VanDerWaalsContact CB-O 3.27Å; T323-N347 WeakPolarHBondContact CB-O 3.28Å; T323-N347 WeakPolarHBondContact CG2-O 3.37Å; N347-D349 PolarHBondContact O-N 2.88Å; N347-T380 WeakPolarHBondContact OD1-CB 3.41Å; N347-T380 VanDerWaalsContact OD1-CG2 3.24Å; N347-T380 WeakPolarHBondContact OD1-CG2 3.5Å; N347-T380 PolarHBondContact OD1-OG1 3.4Å
348	P	89.7	Confident	80.3	Confident	13 Å²	13	60.3 Å²	60.3	8%	0.084	32%	0.315	C	S	.	.			trans	-63.2	133.9	-174.1	24.3	-33.8	0	0	0	112.8	T323 F346 K351 C381	T323-P348 WeakPolarHBondContact O-CA 3.32Å; F346-P348 HydrophobicContact CD1-CG 4.41Å; F346-P348 HydrophobicContact CE1-CB 4.34Å; F346-P348 HydrophobicContact CE1-CG 3.95Å; F346-P348 HydrophobicContact CE2-CB 4.21Å; F346-P348 HydrophobicContact CE2-CG 4.5Å; F346-P348 HydrophobicContact CZ-CB 3.85Å; F346-P348 HydrophobicContact CZ-CG 3.98Å; P348-K351 WeakPolarHBondContact O-CE 3.33Å; P348-C381 HydrophobicContact CG-CB 3.71Å
349	D	83.5	Confident	79.9	Confident	132 Å²	132	63.1 Å²	63.1	71%	0.706	33%	0.328	S	S	*	.	S	Bend	trans	-64.3	-42.8	177.8	-75.1	-57.4	0	0	0	111.6	T323 N347	T323-D349 VanDerWaalsContact CB-OD2 3.23Å; T323-D349 WeakPolarHBondContact CB-OD2 3.49Å; T323-D349 PolarHBondContact O-N 2.85Å; T323-D349 PolarHBondContact OG1-OD2 3.21Å; N347-D349 PolarHBondContact O-N 2.88Å
350	D	72.4	Confident	79.8	Confident	101 Å²	101	63.8 Å²	63.8	54%	0.54	33%	0.33	S	S	.	.			trans	-97.8	107.8	174.4	-170.2	-8	0	0	0	111.4	S352	D350-S352 VanDerWaalsContact C-N 3.28Å; D350-S352 PolarHBondContact O-N 3.34Å; D350-S352 WeakPolarHBondContact OD1-CA 3.4Å; D350-S352 VanDerWaalsContact OD1-CB 3.25Å; D350-S352 WeakPolarHBondContact OD1-CB 3.42Å; D350-S352 PolarHBondContact OD1-N 2.77Å; D350-S352 PolarHBondContact OD1-OG 2.73Å; D350-S352 PolarHBondContact OD2-OG 2.79Å
351	K	67.4	Low	79.7	Confident	103 Å²	103	63.8 Å²	63.8	45%	0.448	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	11.7	179.1	-52.9	-164.4	176.7	-143.8	0	113.7	P348 T380 T382	P348-K351 WeakPolarHBondContact O-CE 3.33Å; K351-T380 VanDerWaalsContact NZ-CB 3.26Å; K351-T380 PolarHBondContact NZ-O 3.29Å; K351-T380 PolarHBondContact NZ-OG1 3.24Å; K351-T382 PolarHBondContact O-OG1 3.05Å
352	S	58.8	Low	79.8	Confident	89 Å²	89	62.8 Å²	62.8	62%	0.622	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	7.3	179.1	77.5	0	0	0	0	114.7	D350	D350-S352 VanDerWaalsContact C-N 3.28Å; D350-S352 PolarHBondContact O-N 3.34Å; D350-S352 WeakPolarHBondContact OD1-CA 3.4Å; D350-S352 VanDerWaalsContact OD1-CB 3.25Å; D350-S352 WeakPolarHBondContact OD1-CB 3.42Å; D350-S352 PolarHBondContact OD1-N 2.77Å; D350-S352 PolarHBondContact OD1-OG 2.73Å; D350-S352 PolarHBondContact OD2-OG 2.79Å
353	A	56.8	Low	79.7	Confident	50 Å²	50	65 Å²	65	41%	0.413	34%	0.337	S	S	.	.			trans	-51.3	145.2	-179.6	0	0	0	0	0	113.7	V383	A353-V383 HydrophobicContact CB-CG2 4.28Å; A353-V383 WeakPolarHBondContact O-CG2 3.3Å
354	Q	55.6	Low	79.7	Confident	153 Å²	153	64.8 Å²	64.8	72%	0.715	34%	0.335	S	S	*	.			trans	-88.2	142.6	-177.5	-61.2	-177	8.6	0	0	111.4	H356 N357	Q354-H356 PolarHBondContact O-N 2.81Å; Q354-N357 PolarHBondContact O-N 2.84Å
355	H	54.1	Low	79.6	Confident	158 Å²	158	66 Å²	66	73%	0.731	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-9.7	-176.3	-70.3	-65.1	0	0	0	117.3
356	H	45.6	Very low	79.5	Confident	168 Å²	168	66 Å²	66	78%	0.778	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-20.3	-178.5	-65.9	-67.2	0	0	0	114	Q354	Q354-H356 PolarHBondContact O-N 2.81Å
357	N	58.6	Low	79.4	Confident	122 Å²	122	68.8 Å²	68.8	65%	0.652	37%	0.366	S	S	*	.	S	Bend	trans	-126.1	74.4	172.8	-69.7	33.9	0	0	0	108.3	Q354	Q354-N357 PolarHBondContact O-N 2.84Å
358	A	74.7	Confident	79.4	Confident	36 Å²	36	67 Å²	67	30%	0.298	36%	0.357	S	S	.	.			trans	-91.8	106.8	-179.6	0	0	0	0	0	110.4	H360 V383	A358-H360 PolarHBondContact O-CD2 2.9Å; A358-H360 VanDerWaalsContact O-CD2 3.28Å; A358-H360 PolarHBondContact O-NE2 3.1Å; A358-V383 HydrophobicContact CB-CG1 4.13Å
359	H	88.1	Confident	79.7	Confident	59 Å²	59	67.7 Å²	67.7	27%	0.273	36%	0.362	S	S	.	.			trans	-84.4	152.6	172.4	-58.9	-96.5	0	0	0	110.6	D325 S326 F346	D325-H359 IonicContact OD1-CE1 2.87Å; D325-H359 PolarHBondContact OD1-CE1 2.77Å; D325-H359 VanDerWaalsContact OD1-CE1 3.28Å; D325-H359 IonicContact OD1-CG 3.31Å; D325-H359 IonicContact OD1-ND1 3.64Å; D325-H359 PolarHBondContact OD1-ND1 2.85Å; D325-H359 IonicContact OD2-CE1 2.69Å; S326-H359 WeakPolarHBondContact OG-CA 3.39Å; F346-H359 HydrophobicContact CE1-CB 3.89Å; F346-H359 WeakPolarHBondContact CE1-O 3.18Å; F346-H359 HydrophobicContact CE2-CB 4.45Å; F346-H359 HydrophobicContact CZ-CB 3.65Å
360	H	94.3	Very high	80.4	Confident	15 Å²	15	61.4 Å²	61.4	7%	0.069	33%	0.328	C	S	.	.			trans	-130.7	154	-167.3	-68	-77.5	0	0	0	111.8	S326 T327 A358 E363 S385 C388	S326-H360 CarbonylContact C-O 3.5Å; S326-H360 WeakPolarHBondContact CA-O 3.29Å; S326-H360 WeakPolarHBondContact CB-O 3.27Å; S326-H360 PolarHBondContact OG-N 2.87Å; S326-H360 PolarHBondContact OG-O 2.85Å; T327-H360 PolarHBondContact N-O 3.15Å; A358-H360 PolarHBondContact O-CD2 2.9Å; A358-H360 VanDerWaalsContact O-CD2 3.28Å; A358-H360 PolarHBondContact O-NE2 3.1Å; H360-E363 HydrophobicContact CB-CB 4.24Å; H360-S385 PolarHBondContact CE1-N 3.34Å; H360-S385 PolarHBondContact CE1-OG 2.79Å; H360-S385 VanDerWaalsContact CE1-OG 3.32Å; H360-S385 PolarHBondContact ND1-N 3.17Å; H360-S385 PolarHBondContact ND1-O 1.81Å; H360-S385 VanDerWaalsContact ND1-O 3.15Å; H360-S385 PolarHBondContact ND1-OG 3.44Å; H360-C388 HydrophobicContact CB-CB 4.1Å; H360-C388 VanDerWaalsContact CG-CB 3.49Å; H360-C388 WeakPolarHBondContact ND1-CB 3.15Å; H360-C388 PolarHBondContact NE2-SG 3.26Å; H360-C388 VanDerWaalsContact NE2-SG 3.44Å
361	C	96.4	Very high	81.6	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	-71.2	-33.4	176.9	-175.5	0	0	0	0	112.7	T327 F328 I344 R345 F346 I377 R378 A386	T327-C361 WeakPolarHBondContact CB-O 3.38Å; F328-C361 PolarHBondContact N-O 2.65Å; I344-C361 VanDerWaalsContact C-SG 3.57Å; R345-C361 VanDerWaalsContact CA-SG 3.51Å; R345-C361 PolarHBondContact N-SG 3.46Å; F346-C361 HydrophobicContact CB-CB 3.62Å; F346-C361 PolarHBondContact N-SG 2.96Å; F346-C361 VanDerWaalsContact N-SG 3.43Å; C361-I377 HydrophobicContact CB-CG2 4.2Å; C361-R378 PolarHBondContact SG-O 2.92Å; C361-R378 VanDerWaalsContact SG-O 3.33Å; C361-A386 CarbonylContact C-O 3.58Å; C361-A386 WeakPolarHBondContact CA-O 3.34Å; C361-A386 VanDerWaalsContact CB-O 3.25Å; C361-A386 WeakPolarHBondContact CB-O 3.49Å; C361-A386 PolarHBondContact N-O 2.98Å
362	L	97.4	Very high	83.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	113.4	172.8	-171.2	69.2	0	0	0	108.2	F328 F330 I364 I372 I377 A386 V387 C388 I398	F328-L362 HydrophobicContact CB-CD1 3.7Å; F328-L362 HydrophobicContact CG-CD1 4.37Å; F330-L362 HydrophobicContact CD2-CD1 4.22Å; F330-L362 HydrophobicContact CE2-CD1 3.63Å; L362-I364 HydrophobicContact CD2-CD1 4.11Å; L362-I364 HydrophobicContact CG-CD1 4.22Å; L362-I364 HydrophobicContact CG-CG1 4.37Å; L362-I372 HydrophobicContact CD2-CD1 4.19Å; L362-I372 HydrophobicContact CD2-CG1 4.05Å; L362-I372 HydrophobicContact CD2-CG2 4.34Å; L362-I377 HydrophobicContact CD2-CD1 3.81Å; L362-A386 PolarHBondContact N-O 2.61Å; L362-V387 HydrophobicContact CB-CB 4.45Å; L362-V387 HydrophobicContact CB-CG1 4.32Å; L362-V387 HydrophobicContact CB-CG2 4.1Å; L362-V387 HydrophobicContact CD2-CG1 3.99Å; L362-V387 HydrophobicContact CD2-CG2 4.03Å; L362-V387 HydrophobicContact CG-CG1 4.42Å; L362-V387 WeakPolarHBondContact O-CA 3.08Å; L362-C388 PolarHBondContact O-N 3.22Å; L362-I398 HydrophobicContact CD2-CD1 4.3Å
363	E	97.3	Very high	84.9	Confident	47 Å²	47	49.2 Å²	49.2	22%	0.22	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124	-178.2	-164.6	170.4	160.8	0	0	110.5	S326 F328 V329 F330 H360 T365	S326-E363 WeakPolarHBondContact CB-OE2 3.27Å; S326-E363 PolarHBondContact OG-OE2 3.45Å; F328-E363 PolarHBondContact O-N 2.75Å; V329-E363 WeakPolarHBondContact CA-O 3.44Å; V329-E363 HydrophobicContact CG1-CB 4.47Å; V329-E363 HydrophobicContact CG2-CB 4.29Å; F330-E363 PolarHBondContact N-O 3.15Å; H360-E363 HydrophobicContact CB-CB 4.24Å; E363-T365 HydrophobicContact CG-CG2 4.27Å
364	I	97.6	Very high	86.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	113.2	-174.8	-60.3	173.8	0	0	0	107.3	F330 L362 C368 P370 I372 C388 V389 S390 P396 I398	F330-I364 HydrophobicContact CB-CG1 4.34Å; F330-I364 HydrophobicContact CD2-CG1 4Å; F330-I364 HydrophobicContact CG-CG1 4.44Å; L362-I364 HydrophobicContact CD2-CD1 4.11Å; L362-I364 HydrophobicContact CG-CD1 4.22Å; L362-I364 HydrophobicContact CG-CG1 4.37Å; I364-C368 WeakPolarHBondContact CG2-SG 3.42Å; I364-P370 HydrophobicContact CD1-CG 4.22Å; I364-P370 HydrophobicContact CG1-CG 4.36Å; I364-P370 HydrophobicContact CG2-CG 4.13Å; I364-I372 HydrophobicContact CD1-CD1 3.83Å; I364-C388 PolarHBondContact N-O 2.61Å; I364-V389 HydrophobicContact CB-CG1 4.22Å; I364-V389 HydrophobicContact CB-CG2 4.32Å; I364-V389 HydrophobicContact CD1-CG2 4.25Å; I364-V389 HydrophobicContact CG2-CG1 3.99Å; I364-V389 WeakPolarHBondContact O-CA 3.45Å; I364-S390 PolarHBondContact O-N 3.11Å; I364-P396 HydrophobicContact CD1-CB 3.83Å; I364-P396 HydrophobicContact CD1-CG 3.94Å; I364-P396 HydrophobicContact CG2-CB 4.22Å; I364-P396 HydrophobicContact CG2-CG 4.05Å; I364-I398 HydrophobicContact CD1-CD1 4.32Å
365	T	95.9	Very high	88.9	Confident	27 Å²	27	43.1 Å²	43.1	17%	0.166	22%	0.223	C	C	.	.			trans	-103.6	-165.3	-167.2	70.3	0	0	0	0	112.2	F330 E363 C368 S390 A394	F330-T365 WeakPolarHBondContact O-CB 3.44Å; F330-T365 PolarHBondContact O-N 3Å; F330-T365 VanDerWaalsContact O-N 3.15Å; F330-T365 PolarHBondContact O-OG1 3.13Å; E363-T365 HydrophobicContact CG-CG2 4.27Å; T365-C368 PolarHBondContact O-SG 2.93Å; T365-S390 CarbonylContact C-O 3.57Å; T365-S390 VanDerWaalsContact C-O 3.26Å; T365-A394 WeakPolarHBondContact O-CB 3.36Å
366	V	95.4	Very high	91	Very high	68 Å²	68	36.5 Å²	36.5	41%	0.412	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	149.1	-178.7	-69.7	0	0	0	0	112.7	C368 S390 Q392	V366-C368 VanDerWaalsContact C-N 3.33Å; V366-C368 PolarHBondContact O-N 2.91Å; V366-S390 PolarHBondContact N-O 3.11Å; V366-Q392 WeakPolarHBondContact CA-O 3.27Å
367	N	94.6	Very high	93.5	Very high	66 Å²	66	28.5 Å²	28.5	35%	0.353	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	44.4	171.6	-59.2	-18	0	0	0	115.1	E332 Q392	E332-N367 HydrophobicContact CB-CB 4.48Å; E332-N367 HydrophobicContact CG-CB 4.03Å; E332-N367 WeakPolarHBondContact OE1-CB 3.43Å; E332-N367 PolarHBondContact OE1-ND2 3.43Å; N367-Q392 PolarHBondContact N-O 3.03Å; N367-Q392 PolarHBondContact OD1-O 3.1Å
368	C	93.6	Very high	95.4	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.007	14%	0.138	C	C	.	.			trans	-136.2	149.1	171.7	66.5	0	0	0	0	112.7	S334 I364 T365 V366 P370 C395	S334-C368 VanDerWaalsContact OG-CB 3.31Å; S334-C368 WeakPolarHBondContact OG-CB 3.31Å; I364-C368 WeakPolarHBondContact CG2-SG 3.42Å; T365-C368 PolarHBondContact O-SG 2.93Å; V366-C368 VanDerWaalsContact C-N 3.33Å; V366-C368 PolarHBondContact O-N 2.91Å; C368-P370 VanDerWaalsContact C-CD 3.43Å; C368-C395 PolarHBondContact O-N 2.69Å
369	S	96.4	Very high	96.4	Very high	27 Å²	27	24.6 Å²	24.6	19%	0.189	12%	0.124	C	C	.	.			trans	-130	37.7	-172.6	60	0	0	0	0	114.9	E335 D336	E335-S369 WeakPolarHBondContact CA-OG 3.34Å; D336-S369 PolarHBondContact N-OG 2.98Å
370	P	97.3	Very high	96.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.124	C	C	.	.			trans	-65	150.6	-169.8	30	-38.3	0	0	0	113.5	F330 A337 I364 C368 I372 P396 T397	F330-P370 HydrophobicContact CB-CG 4.1Å; F330-P370 HydrophobicContact CD1-CB 3.39Å; F330-P370 HydrophobicContact CD1-CG 3.58Å; F330-P370 HydrophobicContact CD2-CG 4.3Å; F330-P370 HydrophobicContact CE1-CB 3.37Å; F330-P370 HydrophobicContact CE1-CG 3.99Å; F330-P370 HydrophobicContact CG-CB 4.07Å; F330-P370 HydrophobicContact CG-CG 3.74Å; F330-P370 HydrophobicContact CZ-CB 4.04Å; F330-P370 HydrophobicContact CZ-CG 4.49Å; A337-P370 HydrophobicContact CB-CB 4.47Å; A337-P370 CarbonylContact O-C 3.5Å; A337-P370 VanDerWaalsContact O-CA 3.31Å; A337-P370 WeakPolarHBondContact O-CA 3.43Å; I364-P370 HydrophobicContact CD1-CG 4.22Å; I364-P370 HydrophobicContact CG1-CG 4.36Å; I364-P370 HydrophobicContact CG2-CG 4.13Å; C368-P370 VanDerWaalsContact C-CD 3.43Å; P370-I372 HydrophobicContact CB-CD1 4.09Å; P370-I372 HydrophobicContact CG-CD1 4.04Å; P370-P396 HydrophobicContact CG-CB 4.06Å; P370-P396 CarbonylContact O-C 3.48Å; P370-P396 WeakPolarHBondContact O-CA 3.45Å; P370-P396 VanDerWaalsContact O-CB 3.29Å; P370-P396 WeakPolarHBondContact O-CB 3.07Å; P370-T397 PolarHBondContact O-N 3.41Å
371	I	97.8	Very high	96.7	Very high	31 Å²	31	23.4 Å²	23.4	16%	0.159	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	120.8	175	-54	176	0	0	0	108.6	A337 Y338 V339 D373 T397	A337-I371 PolarHBondContact O-N 3.11Å; Y338-I371 CarbonylContact C-O 3.5Å; Y338-I371 WeakPolarHBondContact CA-O 3.29Å; Y338-I371 HydrophobicContact CD2-CB 3.79Å; Y338-I371 HydrophobicContact CD2-CD1 4.47Å; Y338-I371 HydrophobicContact CD2-CG2 3.59Å; Y338-I371 HydrophobicContact CE2-CB 4.5Å; Y338-I371 HydrophobicContact CE2-CG2 3.8Å; V339-I371 PolarHBondContact N-O 3.34Å; I371-D373 HydrophobicContact CG2-CB 4.45Å; I371-T397 CarbonylContact C-O 3.56Å; I371-T397 VanDerWaalsContact CA-O 3.31Å; I371-T397 WeakPolarHBondContact CA-O 3.47Å
372	I	98.2	Very high	96.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	120	175.5	-56.9	94.3	0	0	0	109	V339 L362 I364 P370 C375 P396 T397 I398 K399 C401	V339-I372 WeakPolarHBondContact O-CA 3.31Å; L362-I372 HydrophobicContact CD2-CD1 4.19Å; L362-I372 HydrophobicContact CD2-CG1 4.05Å; L362-I372 HydrophobicContact CD2-CG2 4.34Å; I364-I372 HydrophobicContact CD1-CD1 3.83Å; P370-I372 HydrophobicContact CB-CD1 4.09Å; P370-I372 HydrophobicContact CG-CD1 4.04Å; I372-C375 HydrophobicContact CG2-CB 4Å; I372-P396 HydrophobicContact CD1-CB 4.47Å; I372-T397 PolarHBondContact N-O 3.17Å; I372-I398 HydrophobicContact CB-CG1 4.4Å; I372-I398 HydrophobicContact CB-CG2 4.43Å; I372-I398 HydrophobicContact CD1-CD1 4.45Å; I372-I398 HydrophobicContact CD1-CG1 4.12Å; I372-I398 WeakPolarHBondContact O-CA 3.26Å; I372-K399 PolarHBondContact O-N 2.72Å; I372-C401 PolarHBondContact O-SG 2.81Å
373	D	97.6	Very high	96.1	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.027	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	128	-159.9	-168.5	9.4	0	0	0	112.9	Y338 V339 G340 Y341 I371 C375 K399 H400	Y338-D373 HydrophobicContact CE2-CB 3.77Å; Y338-D373 WeakPolarHBondContact OH-CB 3.29Å; Y338-D373 VanDerWaalsContact OH-CG 3.3Å; Y338-D373 PolarHBondContact OH-OD2 2.98Å; V339-D373 PolarHBondContact O-N 2.98Å; G340-D373 WeakPolarHBondContact CA-O 3.11Å; Y341-D373 PolarHBondContact N-O 2.88Å; Y341-D373 VanDerWaalsContact N-O 3.15Å; I371-D373 HydrophobicContact CG2-CB 4.45Å; D373-C375 PolarHBondContact O-N 2.82Å; D373-C375 VanDerWaalsContact O-N 3.15Å; D373-K399 WeakPolarHBondContact CA-O 3.5Å; D373-K399 HydrophobicContact CB-CG 4.26Å; D373-K399 WeakPolarHBondContact OD1-CE 3.14Å; D373-K399 WeakPolarHBondContact OD2-CE 3.34Å; D373-K399 IonicContact OD2-NZ 3.55Å; D373-K399 PolarHBondContact OD2-NZ 3.25Å; D373-H400 IonicContact OD1-CE1 2.9Å; D373-H400 IonicContact OD1-CG 3.13Å; D373-H400 IonicContact OD1-ND1 2.67Å; D373-H400 PolarHBondContact OD1-ND1 2.73Å
374	H	97.4	Very high	95.8	Very high	75 Å²	75	25.3 Å²	25.3	35%	0.347	14%	0.138	S	C	.	.	S	Bend	trans	56.3	24.1	-177.2	-66.8	68.2	0	0	0	114.8	Y341 K399 H400	Y341-H374 HydrophobicContact CD1-CB 3.64Å; Y341-H374 HydrophobicContact CE1-CB 3.59Å; Y341-H374 AromaticContact CE1-CD2 3.5Å; Y341-H374 AromaticContact CE1-CG 3.47Å; Y341-H374 VanDerWaalsContact CE1-CG 3.47Å; Y341-H374 HydrophobicContact CG-CB 4.25Å; Y341-H374 AromaticContact CZ-CG 3.9Å; Y341-H374 AromaticContact CZ-ND1 4Å; H374-K399 PolarHBondContact N-O 2.91Å; H374-H400 AromaticContact CE1-CG 3.67Å; H374-H400 AromaticContact CE1-ND1 3.4Å; H374-H400 PolarHBondContact CE1-ND1 2.74Å; H374-H400 AromaticContact ND1-CG 3.84Å; H374-H400 AromaticContact ND1-ND1 3.53Å
375	C	98.4	Very high	95.7	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.007	14%	0.138	C	C	.	.			trans	-87.5	150.3	178	-74.5	0	0	0	0	112.8	G340 M342 I344 I372 D373 I377 C401 N402	G340-C375 VanDerWaalsContact CA-SG 3.59Å; M342-C375 CarbonylContact O-C 3.51Å; M342-C375 VanDerWaalsContact O-CA 3.29Å; M342-C375 WeakPolarHBondContact O-CA 3.44Å; I344-C375 HydrophobicContact CD1-CB 4.49Å; I372-C375 HydrophobicContact CG2-CB 4Å; D373-C375 PolarHBondContact O-N 2.82Å; D373-C375 VanDerWaalsContact O-N 3.15Å; C375-I377 HydrophobicContact CB-CG1 4.34Å; C375-C401 PolarHBondContact N-SG 2.84Å; C375-C401 VanDerWaalsContact N-SG 3.4Å; C375-C401 CarbonylContact O-C 3.55Å; C375-C401 WeakPolarHBondContact O-CA 3.32Å; C375-C401 WeakPolarHBondContact O-CB 3.12Å; C375-N402 PolarHBondContact O-N 2.82Å
376	I	98.7	Very high	95.8	Very high	19 Å²	19	24.1 Å²	24.1	10%	0.097	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	115.2	169.9	-52.6	178.8	0	0	0	107.8	A315 M342 T343 I344 R378 N402	A315-I376 HydrophobicContact CB-CD1 3.73Å; A315-I376 HydrophobicContact CB-CG1 3.97Å; M342-I376 PolarHBondContact O-N 2.82Å; T343-I376 CarbonylContact C-O 3.52Å; T343-I376 VanDerWaalsContact CA-O 3.27Å; T343-I376 WeakPolarHBondContact CA-O 3.21Å; I344-I376 PolarHBondContact N-O 3.04Å; I376-R378 VanDerWaalsContact CG2-NH1 3.26Å; I376-N402 CarbonylContact C-O 3.58Å; I376-N402 WeakPolarHBondContact CA-O 3.33Å; I376-N402 HydrophobicContact CG1-CB 4.43Å; I376-N402 HydrophobicContact CG2-CB 4.38Å
377	I	98.7	Very high	95.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.2	-173	-53.3	178.3	0	0	0	108.6	I344 C361 L362 C375 A386 V387 N402 I403 S404	I344-I377 WeakPolarHBondContact O-CA 3.36Å; C361-I377 HydrophobicContact CB-CG2 4.2Å; L362-I377 HydrophobicContact CD2-CD1 3.81Å; C375-I377 HydrophobicContact CB-CG1 4.34Å; I377-A386 HydrophobicContact CG2-CB 4.22Å; I377-V387 HydrophobicContact CD1-CG2 3.81Å; I377-V387 HydrophobicContact CG2-CG2 4.21Å; I377-N402 PolarHBondContact N-O 3.07Å; I377-I403 HydrophobicContact CB-CG1 4.44Å; I377-I403 HydrophobicContact CD1-CG1 4.37Å; I377-S404 PolarHBondContact O-N 2.82Å
378	R	98.1	Very high	96.1	Very high	75 Å²	75	18 Å²	18	28%	0.283	10%	0.096	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	147	177	-60.2	-156.4	160.9	81.1	0.6	112.2	I344 R345 F346 C361 I376 S404 D405	I344-R378 PolarHBondContact O-N 2.66Å; R345-R378 VanDerWaalsContact CA-O 3.3Å; R345-R378 WeakPolarHBondContact CA-O 3.5Å; R345-R378 HydrophobicContact CG-CB 4.44Å; F346-R378 PolarHBondContact N-O 2.98Å; F346-R378 VanDerWaalsContact N-O 3.11Å; C361-R378 PolarHBondContact SG-O 2.92Å; C361-R378 VanDerWaalsContact SG-O 3.33Å; I376-R378 VanDerWaalsContact CG2-NH1 3.26Å; R378-S404 VanDerWaalsContact CG-O 3.32Å; R378-S404 WeakPolarHBondContact CG-O 3.44Å; R378-S404 PolarHBondContact NH2-OG 3.38Å; R378-D405 IonicContact CZ-OD2 2.73Å; R378-D405 IonicContact NE-OD2 3.1Å; R378-D405 PolarHBondContact NE-OD2 3.19Å; R378-D405 IonicContact NH2-OD2 3.15Å; R378-D405 PolarHBondContact NH2-OD2 3.47Å
379	S	96.2	Very high	96.3	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	121.1	175.1	-178.7	0	0	0	0	111.6	F346 C381 C406 E407	F346-S379 CarbonylContact O-C 3.59Å; F346-S379 WeakPolarHBondContact O-CA 3.34Å; S379-C381 VanDerWaalsContact C-N 3.28Å; S379-C381 VanDerWaalsContact OG-CB 3.3Å; S379-C381 WeakPolarHBondContact OG-CB 3.42Å; S379-C381 PolarHBondContact OG-N 3.47Å; S379-C406 PolarHBondContact N-SG 3.15Å; S379-C406 VanDerWaalsContact N-SG 3.42Å; S379-C406 CarbonylContact O-C 3.55Å; S379-C406 WeakPolarHBondContact O-CA 3.48Å; S379-E407 PolarHBondContact O-N 2.91Å
380	T	95.4	Very high	96.3	Very high	43 Å²	43	18 Å²	18	26%	0.264	10%	0.096	S	C	.	.			trans	-93.7	14.9	168.6	71.7	0	0	0	0	112.8	F346 N347 K351	F346-T380 PolarHBondContact O-N 3.25Å; N347-T380 WeakPolarHBondContact OD1-CB 3.41Å; N347-T380 VanDerWaalsContact OD1-CG2 3.24Å; N347-T380 WeakPolarHBondContact OD1-CG2 3.5Å; N347-T380 PolarHBondContact OD1-OG1 3.4Å; K351-T380 VanDerWaalsContact NZ-CB 3.26Å; K351-T380 PolarHBondContact NZ-O 3.29Å; K351-T380 PolarHBondContact NZ-OG1 3.24Å
381	C	92.1	Very high	96.3	Very high	7 Å²	7	18.6 Å²	18.6	5%	0.047	10%	0.102	C	C	.	.			trans	-68.7	139.2	165	-168.4	0	0	0	0	110.4	F346 P348 S379 V383 G384 E407	F346-C381 HydrophobicContact CD1-CB 3.62Å; F346-C381 HydrophobicContact CE1-CB 3.67Å; P348-C381 HydrophobicContact CG-CB 3.71Å; S379-C381 VanDerWaalsContact C-N 3.28Å; S379-C381 VanDerWaalsContact OG-CB 3.3Å; S379-C381 WeakPolarHBondContact OG-CB 3.42Å; S379-C381 PolarHBondContact OG-N 3.47Å; C381-V383 PolarHBondContact SG-N 3.33Å; C381-V383 VanDerWaalsContact SG-N 3.37Å; C381-G384 PolarHBondContact SG-N 3.33Å; C381-G384 VanDerWaalsContact SG-N 3.42Å; C381-E407 CarbonylContact O-C 3.58Å
382	T	91.4	Very high	96.2	Very high	64 Å²	64	22.6 Å²	22.6	39%	0.393	12%	0.12	S	C	.	.	S	Bend	trans	-95.3	-8.9	176.4	47.4	0	0	0	0	112.7	K351 E407 N408	K351-T382 PolarHBondContact O-OG1 3.05Å; T382-E407 HydrophobicContact CG2-CB 4.43Å; T382-N408 PolarHBondContact O-ND2 2.84Å
383	V	89.8	Confident	96.1	Very high	22 Å²	22	24 Å²	24	13%	0.133	13%	0.134	C	C	.	.	S	Bend	trans	-110.5	-50	-168.5	-172.5	0	0	0	0	112.2	A353 A358 C381 N408	A353-V383 HydrophobicContact CB-CG2 4.28Å; A353-V383 WeakPolarHBondContact O-CG2 3.3Å; A358-V383 HydrophobicContact CB-CG1 4.13Å; C381-V383 PolarHBondContact SG-N 3.33Å; C381-V383 VanDerWaalsContact SG-N 3.37Å; V383-N408 PolarHBondContact O-ND2 2.81Å
384	G	91.3	Very high	96.1	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.01	13%	0.132	C	C	.	.	S	Bend	trans	-99.6	148.1	176.1	0	0	0	0	0	112.7	C381 N408	C381-G384 PolarHBondContact SG-N 3.33Å; C381-G384 VanDerWaalsContact SG-N 3.42Å; G384-N408 VanDerWaalsContact O-CB 3.26Å; G384-N408 WeakPolarHBondContact O-CB 3.16Å
385	S	95.6	Very high	96.1	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.014	13%	0.134	C	C	.	.			trans	-66.1	163.2	174.5	59.8	0	0	0	0	112.8	H360 V387 N408 V409	H360-S385 PolarHBondContact CE1-N 3.34Å; H360-S385 PolarHBondContact CE1-OG 2.79Å; H360-S385 VanDerWaalsContact CE1-OG 3.32Å; H360-S385 PolarHBondContact ND1-N 3.17Å; H360-S385 PolarHBondContact ND1-O 1.81Å; H360-S385 VanDerWaalsContact ND1-O 3.15Å; H360-S385 PolarHBondContact ND1-OG 3.44Å; S385-V387 WeakPolarHBondContact CB-O 3.44Å; S385-V387 PolarHBondContact OG-O 2.82Å; S385-N408 PolarHBondContact N-OD1 2.89Å; S385-V409 WeakPolarHBondContact CA-O 3.23Å; S385-V409 WeakPolarHBondContact CB-O 3.38Å
386	A	97.6	Very high	96.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-69.2	-44.2	173.8	0	0	0	0	0	111.9	C361 L362 I377 I403 C406 V409 G410	C361-A386 CarbonylContact C-O 3.58Å; C361-A386 WeakPolarHBondContact CA-O 3.34Å; C361-A386 VanDerWaalsContact CB-O 3.25Å; C361-A386 WeakPolarHBondContact CB-O 3.49Å; C361-A386 PolarHBondContact N-O 2.98Å; L362-A386 PolarHBondContact N-O 2.61Å; I377-A386 HydrophobicContact CG2-CB 4.22Å; A386-I403 HydrophobicContact CB-CG2 4.04Å; A386-C406 HydrophobicContact CB-CB 4.18Å; A386-C406 WeakPolarHBondContact CB-SG 3.32Å; A386-V409 PolarHBondContact N-O 2.84Å; A386-G410 WeakPolarHBondContact CB-O 3.48Å
387	V	98.4	Very high	96	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.1	167.8	-175.4	0	0	0	0	109.8	L362 I377 S385 V389 I398 I403 G410 L411 Y412	L362-V387 HydrophobicContact CB-CB 4.45Å; L362-V387 HydrophobicContact CB-CG1 4.32Å; L362-V387 HydrophobicContact CB-CG2 4.1Å; L362-V387 HydrophobicContact CD2-CG1 3.99Å; L362-V387 HydrophobicContact CD2-CG2 4.03Å; L362-V387 HydrophobicContact CG-CG1 4.42Å; L362-V387 WeakPolarHBondContact O-CA 3.08Å; I377-V387 HydrophobicContact CD1-CG2 3.81Å; I377-V387 HydrophobicContact CG2-CG2 4.21Å; S385-V387 WeakPolarHBondContact CB-O 3.44Å; S385-V387 PolarHBondContact OG-O 2.82Å; V387-V389 HydrophobicContact CG1-CG2 3.99Å; V387-I398 HydrophobicContact CG1-CD1 3.83Å; V387-I403 HydrophobicContact CG2-CD1 3.91Å; V387-I403 HydrophobicContact CG2-CG1 4.47Å; V387-I403 HydrophobicContact CG2-CG2 4.38Å; V387-G410 PolarHBondContact N-O 2.72Å; V387-L411 HydrophobicContact CB-CD1 3.77Å; V387-L411 HydrophobicContact CG1-CD1 3.6Å; V387-Y412 PolarHBondContact O-N 3.03Å
388	C	98	Very high	96	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.034	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125.7	173	-170.1	0	0	0	0	109.5	H360 L362 I364 Y412	H360-C388 HydrophobicContact CB-CB 4.1Å; H360-C388 VanDerWaalsContact CG-CB 3.49Å; H360-C388 WeakPolarHBondContact ND1-CB 3.15Å; H360-C388 PolarHBondContact NE2-SG 3.26Å; H360-C388 VanDerWaalsContact NE2-SG 3.44Å; L362-C388 PolarHBondContact O-N 3.22Å; I364-C388 PolarHBondContact N-O 2.61Å; C388-Y412 HydrophobicContact CB-CD1 4.48Å
389	V	98.3	Very high	96	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	111.2	176.8	-166.3	0	0	0	0	107.3	I364 V387 A394 P396 L411 Y412 I413 T414 A417 Y421	I364-V389 HydrophobicContact CB-CG1 4.22Å; I364-V389 HydrophobicContact CB-CG2 4.32Å; I364-V389 HydrophobicContact CD1-CG2 4.25Å; I364-V389 HydrophobicContact CG2-CG1 3.99Å; I364-V389 WeakPolarHBondContact O-CA 3.45Å; V387-V389 HydrophobicContact CG1-CG2 3.99Å; V389-A394 HydrophobicContact CG1-CB 3.89Å; V389-P396 HydrophobicContact CG1-CG 3.7Å; V389-P396 HydrophobicContact CG2-CG 4.07Å; V389-L411 HydrophobicContact CG2-CD1 4.26Å; V389-Y412 PolarHBondContact N-O 3.33Å; V389-I413 HydrophobicContact CB-CG1 4.5Å; V389-I413 WeakPolarHBondContact O-CA 3.3Å; V389-T414 PolarHBondContact O-N 2.93Å; V389-A417 HydrophobicContact CB-CB 4.46Å; V389-A417 HydrophobicContact CG1-CB 4Å; V389-A417 WeakPolarHBondContact O-CB 3.28Å; V389-Y421 HydrophobicContact CG2-CE1 4.36Å; V389-Y421 WeakPolarHBondContact CG2-OH 3.47Å
390	S	97	Very high	96.1	Very high	29 Å²	29	26 Å²	26	20%	0.203	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	139.2	-165.9	71.2	0	0	0	0	113	I364 T365 V366	I364-S390 PolarHBondContact O-N 3.11Å; T365-S390 CarbonylContact C-O 3.57Å; T365-S390 VanDerWaalsContact C-O 3.26Å; V366-S390 PolarHBondContact N-O 3.11Å
391	G	95.9	Very high	96.3	Very high	12 Å²	12	24.1 Å²	24.1	12%	0.124	14%	0.142	C	C	.	.	S	Bend	trans	95.7	162.7	172.5	0	0	0	0	0	115	A394 T414 D415 A417	G391-A394 WeakPolarHBondContact O-CB 3.46Å; G391-A394 PolarHBondContact O-N 3.43Å; G391-T414 PolarHBondContact N-O 2.93Å; G391-D415 CarbonylContact C-O 3.56Å; G391-D415 WeakPolarHBondContact CA-O 3.34Å; G391-D415 PolarHBondContact N-O 2.85Å; G391-A417 WeakPolarHBondContact O-CA 3.27Å; G391-A417 PolarHBondContact O-N 2.86Å
392	Q	96	Very high	96.6	Very high	115 Å²	115	26 Å²	26	54%	0.537	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	137.5	175.9	-172.8	64.7	55.7	0	0	110.3	V366 N367 A394 D415	V366-Q392 WeakPolarHBondContact CA-O 3.27Å; N367-Q392 PolarHBondContact N-O 3.03Å; N367-Q392 PolarHBondContact OD1-O 3.1Å; Q392-A394 PolarHBondContact O-N 3.49Å; Q392-D415 PolarHBondContact N-O 3.29Å
393	G	95.4	Very high	96.9	Very high	28 Å²	28	23 Å²	23	29%	0.289	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	-12.4	178.6	0	0	0	0	0	115.1	C395	G393-C395 PolarHBondContact O-N 3.14Å; G393-C395 PolarHBondContact O-SG 2.89Å; G393-C395 VanDerWaalsContact O-SG 3.35Å
394	A	97.6	Very high	97.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.128	C	C	.	.			trans	-64.4	113.1	172	0	0	0	0	0	110.3	T365 V389 G391 Q392 A417 Q418	T365-A394 WeakPolarHBondContact O-CB 3.36Å; V389-A394 HydrophobicContact CG1-CB 3.89Å; G391-A394 WeakPolarHBondContact O-CB 3.46Å; G391-A394 PolarHBondContact O-N 3.43Å; Q392-A394 PolarHBondContact O-N 3.49Å; A394-A417 HydrophobicContact CB-CB 3.91Å; A394-Q418 PolarHBondContact O-N 2.96Å
395	C	97.6	Very high	97.6	Very high	56 Å²	56	25 Å²	25	38%	0.378	14%	0.143	S	C	.	.			trans	-145.8	56.4	-175.2	60.1	0	0	0	0	114	C368 G393 Q418	C368-C395 PolarHBondContact O-N 2.69Å; G393-C395 PolarHBondContact O-N 3.14Å; G393-C395 PolarHBondContact O-SG 2.89Å; G393-C395 VanDerWaalsContact O-SG 3.35Å; C395-Q418 HydrophobicContact CB-CB 4.48Å
396	P	98.1	Very high	97.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.142	C	C	.	.			trans	-67	163	-177.9	32.5	-38.9	0	0	0	113.2	I364 P370 I372 V389 I398 G419 I420 Y421	I364-P396 HydrophobicContact CD1-CB 3.83Å; I364-P396 HydrophobicContact CD1-CG 3.94Å; I364-P396 HydrophobicContact CG2-CB 4.22Å; I364-P396 HydrophobicContact CG2-CG 4.05Å; P370-P396 HydrophobicContact CG-CB 4.06Å; P370-P396 CarbonylContact O-C 3.48Å; P370-P396 WeakPolarHBondContact O-CA 3.45Å; P370-P396 VanDerWaalsContact O-CB 3.29Å; P370-P396 WeakPolarHBondContact O-CB 3.07Å; I372-P396 HydrophobicContact CD1-CB 4.47Å; V389-P396 HydrophobicContact CG1-CG 3.7Å; V389-P396 HydrophobicContact CG2-CG 4.07Å; P396-I398 HydrophobicContact CB-CG1 4.39Å; P396-G419 CarbonylContact O-C 3.51Å; P396-G419 WeakPolarHBondContact O-CA 3.26Å; P396-I420 PolarHBondContact O-N 2.84Å; P396-Y421 HydrophobicContact CG-CE1 4.44Å
397	T	98.3	Very high	97.6	Very high	36 Å²	36	28.2 Å²	28.2	22%	0.221	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	105.3	167.6	-61.1	0	0	0	0	109.9	P370 I371 I372 K399 I420	P370-T397 PolarHBondContact O-N 3.41Å; I371-T397 CarbonylContact C-O 3.56Å; I371-T397 VanDerWaalsContact CA-O 3.31Å; I371-T397 WeakPolarHBondContact CA-O 3.47Å; I372-T397 PolarHBondContact N-O 3.17Å; T397-K399 HydrophobicContact CG2-CD 4.28Å; T397-I420 CarbonylContact C-O 3.58Å; T397-I420 VanDerWaalsContact CA-O 3.29Å; T397-I420 WeakPolarHBondContact CA-O 3.43Å
398	I	98.6	Very high	97.5	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	119.7	178.8	-49.9	-170.4	0	0	0	109.4	L362 I364 I372 V387 P396 C401 I420 Y421 E422 N424	L362-I398 HydrophobicContact CD2-CD1 4.3Å; I364-I398 HydrophobicContact CD1-CD1 4.32Å; I372-I398 HydrophobicContact CB-CG1 4.4Å; I372-I398 HydrophobicContact CB-CG2 4.43Å; I372-I398 HydrophobicContact CD1-CD1 4.45Å; I372-I398 HydrophobicContact CD1-CG1 4.12Å; I372-I398 WeakPolarHBondContact O-CA 3.26Å; V387-I398 HydrophobicContact CG1-CD1 3.83Å; P396-I398 HydrophobicContact CB-CG1 4.39Å; I398-C401 HydrophobicContact CG2-CB 4.01Å; I398-I420 PolarHBondContact N-O 2.97Å; I398-Y421 HydrophobicContact CB-CD1 3.94Å; I398-Y421 HydrophobicContact CB-CE1 4.45Å; I398-Y421 HydrophobicContact CD1-CD1 4.09Å; I398-Y421 HydrophobicContact CD1-CE1 3.83Å; I398-Y421 HydrophobicContact CG1-CD1 4.04Å; I398-Y421 HydrophobicContact CG1-CE1 4.03Å; I398-Y421 CarbonylContact O-C 3.56Å; I398-Y421 VanDerWaalsContact O-CA 3.28Å; I398-Y421 WeakPolarHBondContact O-CA 3.37Å; I398-E422 PolarHBondContact O-N 2.86Å; I398-N424 PolarHBondContact O-ND2 3.18Å
399	K	98	Very high	97.5	Very high	40 Å²	40	28.5 Å²	28.5	17%	0.174	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	147.9	-172.6	63.1	-177	-172.9	-172	0	114.3	I372 D373 H374 T397 C401 E422 N424	I372-K399 PolarHBondContact O-N 2.72Å; D373-K399 WeakPolarHBondContact CA-O 3.5Å; D373-K399 HydrophobicContact CB-CG 4.26Å; D373-K399 WeakPolarHBondContact OD1-CE 3.14Å; D373-K399 WeakPolarHBondContact OD2-CE 3.34Å; D373-K399 IonicContact OD2-NZ 3.55Å; D373-K399 PolarHBondContact OD2-NZ 3.25Å; H374-K399 PolarHBondContact N-O 2.91Å; T397-K399 HydrophobicContact CG2-CD 4.28Å; K399-C401 PolarHBondContact O-N 2.73Å; K399-C401 PolarHBondContact O-SG 3.42Å; K399-C401 VanDerWaalsContact O-SG 3.34Å; K399-E422 WeakPolarHBondContact CA-O 3.48Å; K399-E422 HydrophobicContact CB-CG 3.96Å; K399-E422 WeakPolarHBondContact CB-O 3.43Å; K399-N424 VanDerWaalsContact C-OD1 3.25Å; K399-N424 VanDerWaalsContact CA-OD1 3.27Å; K399-N424 WeakPolarHBondContact CA-OD1 3.08Å; K399-N424 PolarHBondContact N-OD1 2.79Å
400	H	98.1	Very high	97.5	Very high	86 Å²	86	28.5 Å²	28.5	40%	0.398	16%	0.159	S	C	.	.	S	Bend	trans	54.6	15.5	-176.5	-40.1	109.3	0	0	0	114.8	D373 H374 E422 D423 N424	D373-H400 IonicContact OD1-CE1 2.9Å; D373-H400 IonicContact OD1-CG 3.13Å; D373-H400 IonicContact OD1-ND1 2.67Å; D373-H400 PolarHBondContact OD1-ND1 2.73Å; H374-H400 AromaticContact CE1-CG 3.67Å; H374-H400 AromaticContact CE1-ND1 3.4Å; H374-H400 PolarHBondContact CE1-ND1 2.74Å; H374-H400 AromaticContact ND1-CG 3.84Å; H374-H400 AromaticContact ND1-ND1 3.53Å; H400-E422 PolarHBondContact N-O 2.93Å; H400-D423 WeakPolarHBondContact CA-O 3.46Å; H400-N424 PolarHBondContact N-OD1 3.45Å
401	C	98.6	Very high	97.5	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.014	15%	0.15	C	C	.	.			trans	-85.7	156.3	-176.8	-70	0	0	0	0	111.3	I372 C375 I398 K399 N424 E425	I372-C401 PolarHBondContact O-SG 2.81Å; C375-C401 PolarHBondContact N-SG 2.84Å; C375-C401 VanDerWaalsContact N-SG 3.4Å; C375-C401 CarbonylContact O-C 3.55Å; C375-C401 WeakPolarHBondContact O-CA 3.32Å; C375-C401 WeakPolarHBondContact O-CB 3.12Å; I398-C401 HydrophobicContact CG2-CB 4.01Å; K399-C401 PolarHBondContact O-N 2.73Å; K399-C401 PolarHBondContact O-SG 3.42Å; K399-C401 VanDerWaalsContact O-SG 3.34Å; C401-N424 WeakPolarHBondContact CB-OD1 3.33Å; C401-N424 PolarHBondContact N-OD1 3.05Å; C401-N424 WeakPolarHBondContact O-CA 3.4Å; C401-N424 WeakPolarHBondContact O-CB 2.91Å; C401-E425 PolarHBondContact O-N 2.81Å
402	N	98.8	Very high	97.7	Very high	48 Å²	48	28.2 Å²	28.2	26%	0.257	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	105	174.6	-176.6	-19.5	0	0	0	109.1	C375 I376 I377 S404 E425	C375-N402 PolarHBondContact O-N 2.82Å; I376-N402 CarbonylContact C-O 3.58Å; I376-N402 WeakPolarHBondContact CA-O 3.33Å; I376-N402 HydrophobicContact CG1-CB 4.43Å; I376-N402 HydrophobicContact CG2-CB 4.38Å; I377-N402 PolarHBondContact N-O 3.07Å; N402-S404 WeakPolarHBondContact OD1-CB 3.45Å; N402-S404 PolarHBondContact OD1-OG 2.78Å; N402-E425 CarbonylContact C-O 3.51Å; N402-E425 WeakPolarHBondContact CA-O 3.47Å; N402-E425 HydrophobicContact CB-CB 4.42Å
403	I	98.7	Very high	97.8	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	82.8	-177.4	-49.6	174.6	0	0	0	108	I377 A386 V387 L411 E425 I426 S427 N429	I377-I403 HydrophobicContact CB-CG1 4.44Å; I377-I403 HydrophobicContact CD1-CG1 4.37Å; A386-I403 HydrophobicContact CB-CG2 4.04Å; V387-I403 HydrophobicContact CG2-CD1 3.91Å; V387-I403 HydrophobicContact CG2-CG1 4.47Å; V387-I403 HydrophobicContact CG2-CG2 4.38Å; I403-L411 HydrophobicContact CD1-CB 4.47Å; I403-E425 PolarHBondContact N-O 3.1Å; I403-I426 HydrophobicContact CB-CG1 4.37Å; I403-I426 HydrophobicContact CD1-CG1 4.43Å; I403-I426 WeakPolarHBondContact O-CA 3.45Å; I403-S427 PolarHBondContact O-N 3.32Å; I403-N429 PolarHBondContact O-ND2 2.73Å
404	S	98.1	Very high	97.9	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.021	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	163	-167.4	56.5	0	0	0	0	116	I377 R378 N402 C406 S427	I377-S404 PolarHBondContact O-N 2.82Å; R378-S404 VanDerWaalsContact CG-O 3.32Å; R378-S404 WeakPolarHBondContact CG-O 3.44Å; R378-S404 PolarHBondContact NH2-OG 3.38Å; N402-S404 WeakPolarHBondContact OD1-CB 3.45Å; N402-S404 PolarHBondContact OD1-OG 2.78Å; S404-C406 PolarHBondContact O-N 3.32Å; S404-C406 PolarHBondContact O-SG 3.47Å; S404-S427 CarbonylContact C-O 3.57Å; S404-S427 WeakPolarHBondContact CA-O 3.41Å; S404-S427 WeakPolarHBondContact CB-O 3.28Å
405	D	97.6	Very high	97.9	Very high	60 Å²	60	24.6 Å²	24.6	32%	0.321	13%	0.128	S	C	.	.	S	Bend	trans	60.8	29.6	173.1	-44.2	-54.5	0	0	0	113.6	R378 S427 N428 N429	R378-D405 IonicContact CZ-OD2 2.73Å; R378-D405 IonicContact NE-OD2 3.1Å; R378-D405 PolarHBondContact NE-OD2 3.19Å; R378-D405 IonicContact NH2-OD2 3.15Å; R378-D405 PolarHBondContact NH2-OD2 3.47Å; D405-S427 PolarHBondContact N-O 3.3Å; D405-N428 VanDerWaalsContact OD1-CB 3.3Å; D405-N428 WeakPolarHBondContact OD1-CB 3.49Å; D405-N428 PolarHBondContact OD1-ND2 2.97Å; D405-N429 PolarHBondContact N-OD1 3.29Å
406	C	97.3	Very high	97.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.			trans	-90	143.3	-176.5	-50.2	0	0	0	0	112.9	S379 A386 S404 N408 N429 A430	S379-C406 PolarHBondContact N-SG 3.15Å; S379-C406 VanDerWaalsContact N-SG 3.42Å; S379-C406 CarbonylContact O-C 3.55Å; S379-C406 WeakPolarHBondContact O-CA 3.48Å; A386-C406 HydrophobicContact CB-CB 4.18Å; A386-C406 WeakPolarHBondContact CB-SG 3.32Å; S404-C406 PolarHBondContact O-N 3.32Å; S404-C406 PolarHBondContact O-SG 3.47Å; C406-N408 VanDerWaalsContact C-N 3.26Å; C406-N408 PolarHBondContact O-N 3.09Å; C406-N429 WeakPolarHBondContact CB-OD1 3.46Å; C406-N429 PolarHBondContact N-OD1 3.15Å; C406-N429 CarbonylContact O-C 3.53Å; C406-N429 WeakPolarHBondContact O-CA 3.44Å; C406-N429 PolarHBondContact SG-OD1 3.27Å; C406-A430 WeakPolarHBondContact O-CB 3.25Å; C406-A430 PolarHBondContact O-N 2.95Å
407	E	96.3	Very high	97.9	Very high	70 Å²	70	26 Å²	26	33%	0.327	13%	0.129	S	C	.	.	S	Bend	trans	-87.7	15.7	178.9	-67	-63.7	153.8	0	0	114	S379 C381 T382 R453	S379-E407 PolarHBondContact O-N 2.91Å; C381-E407 CarbonylContact O-C 3.58Å; T382-E407 HydrophobicContact CG2-CB 4.43Å; E407-R453 VanDerWaalsContact CD-NH1 3.28Å; E407-R453 IonicContact OE1-CZ 3.81Å; E407-R453 IonicContact OE1-NH1 3.82Å; E407-R453 PolarHBondContact OE1-NH1 2.89Å; E407-R453 IonicContact OE1-NH2 3.62Å; E407-R453 PolarHBondContact OE1-NH2 2.81Å; E407-R453 IonicContact OE2-CZ 3.69Å; E407-R453 IonicContact OE2-NH1 3.62Å; E407-R453 PolarHBondContact OE2-NH1 3.02Å; E407-R453 IonicContact OE2-NH2 3.71Å
408	N	95.4	Very high	97.9	Very high	12 Å²	12	28.6 Å²	28.6	6%	0.064	14%	0.138	C	C	.	.	S	Bend	trans	-140.7	-149.8	170.9	-164.4	-84.5	0	0	0	108.9	T382 V383 G384 S385 C406 A430 L431	T382-N408 PolarHBondContact O-ND2 2.84Å; V383-N408 PolarHBondContact O-ND2 2.81Å; G384-N408 VanDerWaalsContact O-CB 3.26Å; G384-N408 WeakPolarHBondContact O-CB 3.16Å; S385-N408 PolarHBondContact N-OD1 2.89Å; C406-N408 VanDerWaalsContact C-N 3.26Å; C406-N408 PolarHBondContact O-N 3.09Å; N408-A430 PolarHBondContact O-N 3.06Å; N408-L431 PolarHBondContact O-N 3.04Å; N408-L431 VanDerWaalsContact O-N 3.16Å
409	V	97.4	Very high	97.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.142	C	C	.	.			trans	-74.9	142.4	176	177	0	0	0	0	110.2	S385 A386 L431 A432 W435	S385-V409 WeakPolarHBondContact CA-O 3.23Å; S385-V409 WeakPolarHBondContact CB-O 3.38Å; A386-V409 PolarHBondContact N-O 2.84Å; V409-L431 HydrophobicContact CG2-CB 3.7Å; V409-L431 HydrophobicContact CG2-CD1 4.08Å; V409-A432 WeakPolarHBondContact CA-O 3.46Å; V409-A432 WeakPolarHBondContact CG1-O 3.46Å; V409-W435 HydrophobicContact CG1-CB 4.14Å; V409-W435 HydrophobicContact CG1-CD2 4.32Å; V409-W435 HydrophobicContact CG1-CG 4.03Å; V409-W435 HydrophobicContact CG2-CD2 3.52Å; V409-W435 VanDerWaalsContact CG2-CE2 3.5Å; V409-W435 HydrophobicContact CG2-CE3 3.74Å; V409-W435 HydrophobicContact CG2-CG 4.05Å; V409-W435 HydrophobicContact CG2-CH2 3.91Å; V409-W435 HydrophobicContact CG2-CZ2 3.71Å; V409-W435 HydrophobicContact CG2-CZ3 3.92Å
410	G	98.1	Very high	97.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-65.7	-69.5	173.5	0	0	0	0	0	111.8	A386 V387 A432 G433	A386-G410 WeakPolarHBondContact CB-O 3.48Å; V387-G410 PolarHBondContact N-O 2.72Å; G410-A432 PolarHBondContact N-O 2.89Å; G410-A432 VanDerWaalsContact N-O 3.15Å; G410-G433 WeakPolarHBondContact CA-O 3.19Å
411	L	98.6	Very high	97.9	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	123.9	-178.1	171.3	63.1	0	0	0	111.2	V387 V389 I403 I413 Y421 G433 I434 W435	V387-L411 HydrophobicContact CB-CD1 3.77Å; V387-L411 HydrophobicContact CG1-CD1 3.6Å; V389-L411 HydrophobicContact CG2-CD1 4.26Å; I403-L411 HydrophobicContact CD1-CB 4.47Å; L411-I413 HydrophobicContact CD1-CD1 4.12Å; L411-I413 HydrophobicContact CD1-CG1 4.41Å; L411-I413 HydrophobicContact CD2-CD1 3.96Å; L411-I413 HydrophobicContact CG-CD1 3.64Å; L411-I413 HydrophobicContact CG-CG1 4.45Å; L411-Y421 HydrophobicContact CD1-CD1 4.14Å; L411-Y421 HydrophobicContact CD1-CE1 3.73Å; L411-Y421 HydrophobicContact CD2-CD1 3.46Å; L411-Y421 VanDerWaalsContact CD2-CD1 3.46Å; L411-Y421 HydrophobicContact CD2-CE1 3.83Å; L411-Y421 HydrophobicContact CD2-CG 3.96Å; L411-Y421 HydrophobicContact CG-CD1 4.44Å; L411-Y421 HydrophobicContact CG-CE1 4.38Å; L411-G433 PolarHBondContact N-O 3.28Å; L411-I434 HydrophobicContact CB-CG1 4.4Å; L411-I434 HydrophobicContact CD2-CD1 4.31Å; L411-I434 HydrophobicContact CD2-CG1 4.45Å; L411-I434 HydrophobicContact CD2-CG2 4.4Å; L411-I434 HydrophobicContact CG-CG2 4.41Å; L411-I434 CarbonylContact O-C 3.54Å; L411-I434 VanDerWaalsContact O-CA 3.26Å; L411-I434 WeakPolarHBondContact O-CA 3.47Å; L411-W435 PolarHBondContact O-N 2.94Å
412	Y	98.4	Very high	97.9	Very high	34 Å²	34	28 Å²	28	13%	0.133	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	117.5	-177.3	173.7	-137.5	0	0	0	110.5	V387 C388 V389 T414 W435 K437	V387-Y412 PolarHBondContact O-N 3.03Å; C388-Y412 HydrophobicContact CB-CD1 4.48Å; V389-Y412 PolarHBondContact N-O 3.33Å; Y412-T414 HydrophobicContact CE1-CG2 3.94Å; Y412-T414 HydrophobicContact CE2-CG2 4.29Å; Y412-W435 HydrophobicContact CD2-CB 3.73Å; Y412-W435 HydrophobicContact CD2-CE3 4.03Å; Y412-W435 HydrophobicContact CE2-CB 4.47Å; Y412-W435 HydrophobicContact CE2-CE3 4.08Å; Y412-K437 HydrophobicContact CE2-CD 4.05Å; Y412-K437 HydrophobicContact CE2-CG 4.06Å; Y412-K437 WeakPolarHBondContact OH-CE 3.02Å; Y412-K437 PolarHBondContact OH-NZ 2.89Å
413	I	98.6	Very high	97.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.9	177.5	-52.1	94.3	0	0	0	109.1	V389 L411 A417 Y421 I434 W435 V436 K437 P442	V389-I413 HydrophobicContact CB-CG1 4.5Å; V389-I413 WeakPolarHBondContact O-CA 3.3Å; L411-I413 HydrophobicContact CD1-CD1 4.12Å; L411-I413 HydrophobicContact CD1-CG1 4.41Å; L411-I413 HydrophobicContact CD2-CD1 3.96Å; L411-I413 HydrophobicContact CG-CD1 3.64Å; L411-I413 HydrophobicContact CG-CG1 4.45Å; I413-A417 HydrophobicContact CG2-CB 3.71Å; I413-A417 WeakPolarHBondContact CG2-O 3.32Å; I413-Y421 HydrophobicContact CG1-CE2 4.39Å; I413-I434 HydrophobicContact CD1-CG2 3.81Å; I413-W435 PolarHBondContact N-O 2.85Å; I413-V436 HydrophobicContact CD1-CG2 4.32Å; I413-V436 WeakPolarHBondContact O-CA 3.09Å; I413-K437 PolarHBondContact O-N 2.9Å; I413-P442 HydrophobicContact CD1-CB 4.18Å; I413-P442 HydrophobicContact CD1-CG 4.09Å; I413-P442 HydrophobicContact CG1-CB 4.12Å; I413-P442 HydrophobicContact CG1-CG 4.31Å; I413-P442 HydrophobicContact CG2-CB 4.45Å
414	T	98.1	Very high	97.9	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.018	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	162.4	-171.9	-167.7	0	0	0	0	113.4	V389 G391 Y412 H416 A417 K437	V389-T414 PolarHBondContact O-N 2.93Å; G391-T414 PolarHBondContact N-O 2.93Å; Y412-T414 HydrophobicContact CE1-CG2 3.94Å; Y412-T414 HydrophobicContact CE2-CG2 4.29Å; T414-H416 PolarHBondContact O-N 3.07Å; T414-A417 WeakPolarHBondContact O-CB 3.34Å; T414-A417 PolarHBondContact O-N 2.65Å; T414-A417 VanDerWaalsContact O-N 3.15Å; T414-K437 VanDerWaalsContact OG1-CE 3.26Å; T414-K437 WeakPolarHBondContact OG1-CE 3.44Å; T414-K437 WeakPolarHBondContact OG1-CG 3.2Å
415	D	97.2	Very high	97.9	Very high	64 Å²	64	30.7 Å²	30.7	34%	0.342	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	56.6	166.7	-58.6	-70.2	0	0	0	113.5	G391 Q392 A417 N438	G391-D415 CarbonylContact C-O 3.56Å; G391-D415 WeakPolarHBondContact CA-O 3.34Å; G391-D415 PolarHBondContact N-O 2.85Å; Q392-D415 PolarHBondContact N-O 3.29Å; D415-A417 PolarHBondContact O-N 2.91Å; D415-N438 CarbonylContact C-O 3.51Å; D415-N438 VanDerWaalsContact CA-O 3.25Å; D415-N438 WeakPolarHBondContact CA-O 3.44Å; D415-N438 PolarHBondContact N-O 3.09Å; D415-N438 WeakPolarHBondContact OD1-CB 3.25Å; D415-N438 PolarHBondContact OD1-ND2 2.91Å
416	H	98.1	Very high	98	Very high	86 Å²	86	28 Å²	28	40%	0.398	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	4.9	-178.2	-55.1	-95.8	0	0	0	116.8	T414 N438 H439	T414-H416 PolarHBondContact O-N 3.07Å; H416-N438 PolarHBondContact N-O 2.84Å; H416-H439 AromaticContact CE1-CD2 3.48Å; H416-H439 PolarHBondContact CE1-CD2 2.92Å; H416-H439 VanDerWaalsContact CE1-CD2 3.48Å; H416-H439 AromaticContact CE1-CG 3.65Å; H416-H439 WeakPolarHBondContact ND1-CB 3.11Å; H416-H439 AromaticContact NE2-CD2 3.62Å
417	A	98.1	Very high	98.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.14	C	C	.	.			trans	-60.5	152.9	174.4	0	0	0	0	0	113.6	V389 G391 A394 I413 T414 D415 G440 N441	V389-A417 HydrophobicContact CB-CB 4.46Å; V389-A417 HydrophobicContact CG1-CB 4Å; V389-A417 WeakPolarHBondContact O-CB 3.28Å; G391-A417 WeakPolarHBondContact O-CA 3.27Å; G391-A417 PolarHBondContact O-N 2.86Å; A394-A417 HydrophobicContact CB-CB 3.91Å; I413-A417 HydrophobicContact CG2-CB 3.71Å; I413-A417 WeakPolarHBondContact CG2-O 3.32Å; T414-A417 WeakPolarHBondContact O-CB 3.34Å; T414-A417 PolarHBondContact O-N 2.65Å; T414-A417 VanDerWaalsContact O-N 3.15Å; D415-A417 PolarHBondContact O-N 2.91Å; A417-G440 CarbonylContact O-C 3.58Å; A417-G440 WeakPolarHBondContact O-CA 3.38Å; A417-N441 PolarHBondContact O-N 2.88Å
418	Q	97.7	Very high	98.1	Very high	89 Å²	89	28 Å²	28	42%	0.416	14%	0.141	S	C	.	.			trans	-130.3	-134.9	-176.8	-55.7	-172.6	19.8	0	0	110	A394 C395 Y421 N441	A394-Q418 PolarHBondContact O-N 2.96Å; C395-Q418 HydrophobicContact CB-CB 4.48Å; Q418-Y421 WeakPolarHBondContact O-CE2 3.23Å; Q418-Y421 PolarHBondContact O-OH 2.9Å; Q418-N441 HydrophobicContact CG-CB 4.45Å
419	G	97.8	Very high	98.2	Very high	8 Å²	8	27.5 Å²	27.5	8%	0.082	14%	0.138	C	C	.	.			trans	106.2	166.8	179	0	0	0	0	0	114.1	P396 Y421 I443	P396-G419 CarbonylContact O-C 3.51Å; P396-G419 WeakPolarHBondContact O-CA 3.26Å; G419-Y421 VanDerWaalsContact C-CE2 3.44Å; G419-Y421 WeakPolarHBondContact O-CE2 3.28Å; G419-I443 PolarHBondContact O-N 2.85Å
420	I	98.7	Very high	98.2	Very high	60 Å²	60	28.4 Å²	28.4	31%	0.308	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128.4	178.3	-60	176.4	0	0	0	108.1	P396 T397 I398 E422 I443	P396-I420 PolarHBondContact O-N 2.84Å; T397-I420 CarbonylContact C-O 3.58Å; T397-I420 VanDerWaalsContact CA-O 3.29Å; T397-I420 WeakPolarHBondContact CA-O 3.43Å; I398-I420 PolarHBondContact N-O 2.97Å; I420-E422 HydrophobicContact CG2-CG 4.36Å; I420-I443 CarbonylContact C-O 3.58Å; I420-I443 WeakPolarHBondContact CA-O 3.42Å; I420-I443 HydrophobicContact CG1-CB 4.5Å
421	Y	98.8	Very high	98.2	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	106.1	-178.4	-49.7	-95	0	0	0	106.9	V389 P396 I398 L411 I413 Q418 G419 P442 I443 I444 R445 N447	V389-Y421 HydrophobicContact CG2-CE1 4.36Å; V389-Y421 WeakPolarHBondContact CG2-OH 3.47Å; P396-Y421 HydrophobicContact CG-CE1 4.44Å; I398-Y421 HydrophobicContact CB-CD1 3.94Å; I398-Y421 HydrophobicContact CB-CE1 4.45Å; I398-Y421 HydrophobicContact CD1-CD1 4.09Å; I398-Y421 HydrophobicContact CD1-CE1 3.83Å; I398-Y421 HydrophobicContact CG1-CD1 4.04Å; I398-Y421 HydrophobicContact CG1-CE1 4.03Å; I398-Y421 CarbonylContact O-C 3.56Å; I398-Y421 VanDerWaalsContact O-CA 3.28Å; I398-Y421 WeakPolarHBondContact O-CA 3.37Å; L411-Y421 HydrophobicContact CD1-CD1 4.14Å; L411-Y421 HydrophobicContact CD1-CE1 3.73Å; L411-Y421 HydrophobicContact CD2-CD1 3.46Å; L411-Y421 VanDerWaalsContact CD2-CD1 3.46Å; L411-Y421 HydrophobicContact CD2-CE1 3.83Å; L411-Y421 HydrophobicContact CD2-CG 3.96Å; L411-Y421 HydrophobicContact CG-CD1 4.44Å; L411-Y421 HydrophobicContact CG-CE1 4.38Å; I413-Y421 HydrophobicContact CG1-CE2 4.39Å; Q418-Y421 WeakPolarHBondContact O-CE2 3.23Å; Q418-Y421 PolarHBondContact O-OH 2.9Å; G419-Y421 VanDerWaalsContact C-CE2 3.44Å; G419-Y421 WeakPolarHBondContact O-CE2 3.28Å; Y421-P442 HydrophobicContact CD2-CB 3.81Å; Y421-P442 HydrophobicContact CE2-CB 3.44Å; Y421-P442 VanDerWaalsContact CE2-CB 3.44Å; Y421-I443 PolarHBondContact N-O 3.43Å; Y421-I444 HydrophobicContact CD2-CG1 3.9Å; Y421-I444 HydrophobicContact CG-CG1 4.3Å; Y421-I444 CarbonylContact O-C 3.55Å; Y421-I444 WeakPolarHBondContact O-CA 3.3Å; Y421-R445 PolarHBondContact O-N 2.65Å; Y421-N447 PolarHBondContact O-ND2 3.38Å
422	E	98.4	Very high	98.1	Very high	49 Å²	49	31.2 Å²	31.2	23%	0.229	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	142.6	-174.1	66.1	-179.7	176.1	0	0	116.3	I398 K399 H400 I420 N424 R445 R446	I398-E422 PolarHBondContact O-N 2.86Å; K399-E422 WeakPolarHBondContact CA-O 3.48Å; K399-E422 HydrophobicContact CB-CG 3.96Å; K399-E422 WeakPolarHBondContact CB-O 3.43Å; H400-E422 PolarHBondContact N-O 2.93Å; I420-E422 HydrophobicContact CG2-CG 4.36Å; E422-N424 PolarHBondContact N-ND2 2.79Å; E422-N424 VanDerWaalsContact N-ND2 3.13Å; E422-N424 PolarHBondContact O-N 2.86Å; E422-N424 VanDerWaalsContact O-N 3.15Å; E422-N424 PolarHBondContact O-ND2 3.33Å; E422-R445 VanDerWaalsContact CA-O 3.23Å; E422-R445 WeakPolarHBondContact CA-O 3.44Å; E422-R445 HydrophobicContact CB-CB 4.14Å; E422-R446 VanDerWaalsContact CD-NH2 3.29Å; E422-R446 IonicContact OE2-CZ 3.2Å; E422-R446 IonicContact OE2-NH1 2.67Å; E422-R446 PolarHBondContact OE2-NH1 3.29Å; E422-R446 IonicContact OE2-NH2 2.7Å; E422-R446 PolarHBondContact OE2-NH2 3.15Å
423	D	98.7	Very high	98.1	Very high	62 Å²	62	29.7 Å²	29.7	33%	0.332	16%	0.155	S	C	.	.	S	Bend	trans	54.6	29.5	179.5	-53.8	-61.6	0	0	0	114.6	H400 R445 R446	H400-D423 WeakPolarHBondContact CA-O 3.46Å; D423-R445 PolarHBondContact N-O 3.36Å; D423-R445 VanDerWaalsContact N-O 3.15Å; D423-R446 VanDerWaalsContact CG-NE 3.34Å; D423-R446 VanDerWaalsContact OD1-CB 3.22Å; D423-R446 WeakPolarHBondContact OD1-CB 3.3Å; D423-R446 WeakPolarHBondContact OD1-CD 3.12Å; D423-R446 IonicContact OD1-CZ 2.62Å; D423-R446 IonicContact OD1-NE 3.48Å; D423-R446 PolarHBondContact OD1-NE 3.15Å; D423-R446 IonicContact OD1-NH2 3.47Å; D423-R446 IonicContact OD2-CZ 2.71Å; D423-R446 VanDerWaalsContact OD2-CZ 3.3Å; D423-R446 IonicContact OD2-NE 3.4Å; D423-R446 PolarHBondContact OD2-NE 2.89Å; D423-R446 VanDerWaalsContact OD2-NE 3.15Å; D423-R446 IonicContact OD2-NH2 3.61Å; D423-R446 PolarHBondContact OD2-NH2 3.28Å
424	N	98.8	Very high	98.1	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	16%	0.155	C	C	.	.			trans	-91.1	151.9	177.5	-52.4	-77.9	0	0	0	112.7	I398 K399 H400 C401 E422 I426 N447 H448	I398-N424 PolarHBondContact O-ND2 3.18Å; K399-N424 VanDerWaalsContact C-OD1 3.25Å; K399-N424 VanDerWaalsContact CA-OD1 3.27Å; K399-N424 WeakPolarHBondContact CA-OD1 3.08Å; K399-N424 PolarHBondContact N-OD1 2.79Å; H400-N424 PolarHBondContact N-OD1 3.45Å; C401-N424 WeakPolarHBondContact CB-OD1 3.33Å; C401-N424 PolarHBondContact N-OD1 3.05Å; C401-N424 WeakPolarHBondContact O-CA 3.4Å; C401-N424 WeakPolarHBondContact O-CB 2.91Å; E422-N424 PolarHBondContact N-ND2 2.79Å; E422-N424 VanDerWaalsContact N-ND2 3.13Å; E422-N424 PolarHBondContact O-N 2.86Å; E422-N424 VanDerWaalsContact O-N 3.15Å; E422-N424 PolarHBondContact O-ND2 3.33Å; N424-I426 HydrophobicContact CB-CG1 4.37Å; N424-N447 VanDerWaalsContact CB-OD1 3.23Å; N424-N447 WeakPolarHBondContact CB-OD1 3.23Å; N424-N447 PolarHBondContact N-OD1 2.73Å; N424-N447 PolarHBondContact ND2-OD1 3.07Å; N424-N447 WeakPolarHBondContact O-CA 3.16Å; N424-H448 PolarHBondContact O-N 3.36Å
425	E	98.8	Very high	98.1	Very high	42 Å²	42	32.4 Å²	32.4	20%	0.196	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	123.2	171	171.3	59.6	-137.2	0	0	108.7	C401 N402 I403 S427 H448 H450	C401-E425 PolarHBondContact O-N 2.81Å; N402-E425 CarbonylContact C-O 3.51Å; N402-E425 WeakPolarHBondContact CA-O 3.47Å; N402-E425 HydrophobicContact CB-CB 4.42Å; I403-E425 PolarHBondContact N-O 3.1Å; E425-S427 WeakPolarHBondContact OE1-CB 3.46Å; E425-S427 PolarHBondContact OE1-OG 3.03Å; E425-H448 IonicContact OE1-CE1 2.74Å; E425-H448 PolarHBondContact OE1-CE1 2.93Å; E425-H448 CovalentContact OE2-CE1 1.81Å; E425-H448 IonicContact OE2-CE1 2.61Å; E425-H448 PolarHBondContact OE2-CE1 2.91Å; E425-H448 IonicContact OE2-CG 3.53Å; E425-H448 IonicContact OE2-ND1 3.48Å; E425-H448 PolarHBondContact OE2-ND1 3.08Å; E425-H450 IonicContact OE1-CE1 2.71Å; E425-H450 PolarHBondContact OE1-CE1 2.99Å; E425-H450 IonicContact OE1-ND1 3.35Å; E425-H450 IonicContact OE1-NE2 2.7Å
426	I	98.8	Very high	98.2	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	103.3	-174.7	-55.4	179.7	0	0	0	108.8	I403 N424 G433 I434 H448 I449 H450	I403-I426 HydrophobicContact CB-CG1 4.37Å; I403-I426 HydrophobicContact CD1-CG1 4.43Å; I403-I426 WeakPolarHBondContact O-CA 3.45Å; N424-I426 HydrophobicContact CB-CG1 4.37Å; I426-G433 WeakPolarHBondContact CG2-O 3.05Å; I426-I434 HydrophobicContact CD1-CD1 3.9Å; I426-I434 HydrophobicContact CD1-CG1 3.99Å; I426-H448 PolarHBondContact N-O 3.29Å; I426-I449 WeakPolarHBondContact O-CA 3.46Å; I426-H450 PolarHBondContact O-N 3.34Å
427	S	98.5	Very high	98.1	Very high	8 Å²	8	27.4 Å²	27.4	6%	0.056	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	161.3	-163.9	53.7	0	0	0	0	117.9	I403 S404 D405 E425 N429 H450	I403-S427 PolarHBondContact O-N 3.32Å; S404-S427 CarbonylContact C-O 3.57Å; S404-S427 WeakPolarHBondContact CA-O 3.41Å; S404-S427 WeakPolarHBondContact CB-O 3.28Å; D405-S427 PolarHBondContact N-O 3.3Å; E425-S427 WeakPolarHBondContact OE1-CB 3.46Å; E425-S427 PolarHBondContact OE1-OG 3.03Å; S427-N429 PolarHBondContact O-N 3.41Å; S427-N429 PolarHBondContact O-OD1 3.42Å; S427-H450 WeakPolarHBondContact CA-O 3.16Å; S427-H450 WeakPolarHBondContact CB-CE1 3.35Å; S427-H450 WeakPolarHBondContact CB-ND1 3.4Å; S427-H450 WeakPolarHBondContact CB-O 3.49Å
428	N	97.7	Very high	98.1	Very high	64 Å²	64	29.7 Å²	29.7	34%	0.342	15%	0.151	S	C	.	.	S	Bend	trans	59.6	4.4	179.5	-53.3	-24.5	0	0	0	115.9	D405 H450 H451	D405-N428 VanDerWaalsContact OD1-CB 3.3Å; D405-N428 WeakPolarHBondContact OD1-CB 3.49Å; D405-N428 PolarHBondContact OD1-ND2 2.97Å; N428-H450 PolarHBondContact N-O 2.88Å; N428-H451 WeakPolarHBondContact OD1-CB 3.24Å
429	N	97.8	Very high	98.1	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	15%	0.15	C	C	.	.			trans	-65.1	146.2	-177.4	-61	-42.4	0	0	0	111.5	I403 D405 C406 S427 L431 G452 R453	I403-N429 PolarHBondContact O-ND2 2.73Å; D405-N429 PolarHBondContact N-OD1 3.29Å; C406-N429 WeakPolarHBondContact CB-OD1 3.46Å; C406-N429 PolarHBondContact N-OD1 3.15Å; C406-N429 CarbonylContact O-C 3.53Å; C406-N429 WeakPolarHBondContact O-CA 3.44Å; C406-N429 PolarHBondContact SG-OD1 3.27Å; S427-N429 PolarHBondContact O-N 3.41Å; S427-N429 PolarHBondContact O-OD1 3.42Å; N429-L431 CarbonylContact C-O 3.56Å; N429-G452 WeakPolarHBondContact O-CA 3.33Å; N429-R453 PolarHBondContact O-N 2.87Å
430	A	97.1	Very high	98.2	Very high	19 Å²	19	29.2 Å²	29.2	16%	0.157	15%	0.147	C	C	.	.	S	Bend	trans	-82.6	-31.3	-170	0	0	0	0	0	114	C406 N408	C406-A430 WeakPolarHBondContact O-CB 3.25Å; C406-A430 PolarHBondContact O-N 2.95Å; N408-A430 PolarHBondContact O-N 3.06Å
431	L	96.8	Very high	98.2	Very high	59 Å²	59	29.2 Å²	29.2	31%	0.309	15%	0.147	S	C	.	.	S	Bend	trans	-101.4	-164.7	160.8	-58	-179.2	0	0	0	108.4	N408 V409 N429 W435 D454	N408-L431 PolarHBondContact O-N 3.04Å; N408-L431 VanDerWaalsContact O-N 3.16Å; V409-L431 HydrophobicContact CG2-CB 3.7Å; V409-L431 HydrophobicContact CG2-CD1 4.08Å; N429-L431 CarbonylContact C-O 3.56Å; L431-W435 HydrophobicContact CD1-CH2 4.24Å; L431-W435 HydrophobicContact CD1-CZ2 4.33Å; L431-D454 VanDerWaalsContact C-CB 3.5Å
432	A	97.3	Very high	98.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.147	C	C	.	.			trans	-61	155.9	-173.6	0	0	0	0	0	114.4	V409 G410 W435 D454 V455	V409-A432 WeakPolarHBondContact CA-O 3.46Å; V409-A432 WeakPolarHBondContact CG1-O 3.46Å; G410-A432 PolarHBondContact N-O 2.89Å; G410-A432 VanDerWaalsContact N-O 3.15Å; A432-W435 VanDerWaalsContact CB-CD1 3.45Å; A432-W435 VanDerWaalsContact CB-NE1 3.33Å; A432-D454 PolarHBondContact N-OD2 3.28Å; A432-V455 WeakPolarHBondContact CA-O 3.27Å; A432-V455 HydrophobicContact CB-CB 4.31Å; A432-V455 VanDerWaalsContact CB-O 3.24Å; A432-V455 WeakPolarHBondContact CB-O 3.42Å
433	G	98.1	Very high	98.2	Very high	3 Å²	3	29.6 Å²	29.6	3%	0.031	15%	0.151	C	C	.	.	S	Bend	trans	-63.2	-49.6	172.9	0	0	0	0	0	111.9	G410 L411 I426 V455 G456	G410-G433 WeakPolarHBondContact CA-O 3.19Å; L411-G433 PolarHBondContact N-O 3.28Å; I426-G433 WeakPolarHBondContact CG2-O 3.05Å; G433-V455 PolarHBondContact N-O 2.89Å; G433-G456 VanDerWaalsContact CA-O 3.3Å; G433-G456 WeakPolarHBondContact CA-O 3.04Å; G433-G456 PolarHBondContact N-O 2.84Å; G433-G456 VanDerWaalsContact N-O 3.09Å
434	I	98.8	Very high	98.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	132.9	176.2	-50.2	-175.4	0	0	0	111.1	L411 I413 I426 V436 I444 I449 G456 V457 F458	L411-I434 HydrophobicContact CB-CG1 4.4Å; L411-I434 HydrophobicContact CD2-CD1 4.31Å; L411-I434 HydrophobicContact CD2-CG1 4.45Å; L411-I434 HydrophobicContact CD2-CG2 4.4Å; L411-I434 HydrophobicContact CG-CG2 4.41Å; L411-I434 CarbonylContact O-C 3.54Å; L411-I434 VanDerWaalsContact O-CA 3.26Å; L411-I434 WeakPolarHBondContact O-CA 3.47Å; I413-I434 HydrophobicContact CD1-CG2 3.81Å; I426-I434 HydrophobicContact CD1-CD1 3.9Å; I426-I434 HydrophobicContact CD1-CG1 3.99Å; I434-V436 HydrophobicContact CG2-CG2 4.17Å; I434-I444 HydrophobicContact CD1-CD1 3.94Å; I434-I444 HydrophobicContact CD1-CG2 4.04Å; I434-I444 HydrophobicContact CG2-CD1 4.16Å; I434-I449 HydrophobicContact CD1-CD1 3.51Å; I434-I449 HydrophobicContact CD1-CG1 4.45Å; I434-I449 HydrophobicContact CG1-CD1 4.11Å; I434-G456 PolarHBondContact N-O 2.87Å; I434-V457 HydrophobicContact CB-CG1 4.36Å; I434-V457 HydrophobicContact CB-CG2 4.27Å; I434-V457 HydrophobicContact CD1-CG2 4.43Å; I434-V457 HydrophobicContact CG1-CG2 4.46Å; I434-V457 WeakPolarHBondContact O-CA 3.24Å; I434-F458 PolarHBondContact O-N 3.29Å
435	W	98.3	Very high	98.2	Very high	60 Å²	60	29.8 Å²	29.8	23%	0.227	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135.9	164.5	-82	5.6	0	0	0	111.2	V409 L411 Y412 I413 L431 A432 F458 F460	V409-W435 HydrophobicContact CG1-CB 4.14Å; V409-W435 HydrophobicContact CG1-CD2 4.32Å; V409-W435 HydrophobicContact CG1-CG 4.03Å; V409-W435 HydrophobicContact CG2-CD2 3.52Å; V409-W435 VanDerWaalsContact CG2-CE2 3.5Å; V409-W435 HydrophobicContact CG2-CE3 3.74Å; V409-W435 HydrophobicContact CG2-CG 4.05Å; V409-W435 HydrophobicContact CG2-CH2 3.91Å; V409-W435 HydrophobicContact CG2-CZ2 3.71Å; V409-W435 HydrophobicContact CG2-CZ3 3.92Å; L411-W435 PolarHBondContact O-N 2.94Å; Y412-W435 HydrophobicContact CD2-CB 3.73Å; Y412-W435 HydrophobicContact CD2-CE3 4.03Å; Y412-W435 HydrophobicContact CE2-CB 4.47Å; Y412-W435 HydrophobicContact CE2-CE3 4.08Å; I413-W435 PolarHBondContact N-O 2.85Å; L431-W435 HydrophobicContact CD1-CH2 4.24Å; L431-W435 HydrophobicContact CD1-CZ2 4.33Å; A432-W435 VanDerWaalsContact CB-CD1 3.45Å; A432-W435 VanDerWaalsContact CB-NE1 3.33Å; W435-F458 WeakPolarHBondContact CA-O 3.21Å; W435-F458 AromaticContact CD1-CD1 4Å; W435-F458 AromaticContact NE1-CD1 3.7Å; W435-F460 HydrophobicContact CB-CE1 4.35Å; W435-F460 HydrophobicContact CD2-CE1 4.08Å; W435-F460 HydrophobicContact CD2-CZ 4.31Å; W435-F460 HydrophobicContact CE3-CE1 4.43Å; W435-F460 HydrophobicContact CE3-CZ 4.22Å; W435-F460 HydrophobicContact CG-CE1 4.05Å
436	V	98.6	Very high	98.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	117.6	169.2	-166.9	0	0	0	0	109.5	I413 I434 G440 P442 F458 T459 F460 F467	I413-V436 HydrophobicContact CD1-CG2 4.32Å; I413-V436 WeakPolarHBondContact O-CA 3.09Å; I434-V436 HydrophobicContact CG2-CG2 4.17Å; V436-G440 WeakPolarHBondContact CG1-O 3.1Å; V436-P442 HydrophobicContact CG1-CG 4.16Å; V436-P442 HydrophobicContact CG2-CG 3.79Å; V436-F458 PolarHBondContact N-O 3.4Å; V436-T459 HydrophobicContact CB-CG2 4.04Å; V436-T459 HydrophobicContact CG2-CG2 4.15Å; V436-T459 WeakPolarHBondContact O-CA 3.48Å; V436-F460 PolarHBondContact O-N 2.93Å; V436-F467 HydrophobicContact CG2-CZ 4.23Å
437	K	97.4	Very high	98.2	Very high	45 Å²	45	32.9 Å²	32.9	20%	0.196	16%	0.156	C	C	.	.			trans	-138.6	178.7	177	83.2	172.5	-155.2	-160.2	0	113.6	Y412 I413 T414 H439 G440 F460	Y412-K437 HydrophobicContact CE2-CD 4.05Å; Y412-K437 HydrophobicContact CE2-CG 4.06Å; Y412-K437 WeakPolarHBondContact OH-CE 3.02Å; Y412-K437 PolarHBondContact OH-NZ 2.89Å; I413-K437 PolarHBondContact O-N 2.9Å; T414-K437 VanDerWaalsContact OG1-CE 3.26Å; T414-K437 WeakPolarHBondContact OG1-CE 3.44Å; T414-K437 WeakPolarHBondContact OG1-CG 3.2Å; K437-H439 PolarHBondContact O-N 3.02Å; K437-G440 PolarHBondContact O-N 2.92Å; K437-F460 VanDerWaalsContact CA-O 3.29Å; K437-F460 WeakPolarHBondContact CA-O 3.38Å; K437-F460 HydrophobicContact CB-CD1 4.2Å; K437-F460 HydrophobicContact CB-CD2 3.88Å; K437-F460 HydrophobicContact CB-CE1 4.03Å; K437-F460 HydrophobicContact CB-CE2 3.71Å; K437-F460 HydrophobicContact CB-CG 4.13Å; K437-F460 HydrophobicContact CB-CZ 3.79Å; K437-F460 HydrophobicContact CD-CD2 4.4Å; K437-F460 HydrophobicContact CD-CE2 3.52Å; K437-F460 HydrophobicContact CD-CZ 3.69Å; K437-F460 HydrophobicContact CG-CE2 4.22Å; K437-F460 HydrophobicContact CG-CZ 4.23Å
438	N	97.6	Very high	98.2	Very high	47 Å²	47	36.1 Å²	36.1	25%	0.251	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	54.4	171	-69.5	10.5	0	0	0	112.2	D415 H416 G440 D461	D415-N438 CarbonylContact C-O 3.51Å; D415-N438 VanDerWaalsContact CA-O 3.25Å; D415-N438 WeakPolarHBondContact CA-O 3.44Å; D415-N438 PolarHBondContact N-O 3.09Å; D415-N438 WeakPolarHBondContact OD1-CB 3.25Å; D415-N438 PolarHBondContact OD1-ND2 2.91Å; H416-N438 PolarHBondContact N-O 2.84Å; N438-G440 PolarHBondContact O-N 3.31Å; N438-G440 VanDerWaalsContact O-N 3.08Å; N438-D461 WeakPolarHBondContact CA-O 3.12Å; N438-D461 PolarHBondContact N-O 3.15Å
439	H	98.1	Very high	98.2	Very high	87 Å²	87	33.1 Å²	33.1	40%	0.403	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	10.7	-177.5	-52.7	-71.4	0	0	0	116.7	H416 K437 H462	H416-H439 AromaticContact CE1-CD2 3.48Å; H416-H439 PolarHBondContact CE1-CD2 2.92Å; H416-H439 VanDerWaalsContact CE1-CD2 3.48Å; H416-H439 AromaticContact CE1-CG 3.65Å; H416-H439 WeakPolarHBondContact ND1-CB 3.11Å; H416-H439 AromaticContact NE2-CD2 3.62Å; K437-H439 PolarHBondContact O-N 3.02Å; H439-H462 WeakPolarHBondContact CE1-CB 3.05Å; H439-H462 AromaticContact CE1-CG 3.67Å; H439-H462 WeakPolarHBondContact ND1-CB 3.37Å
440	G	98.5	Very high	98.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.159	C	C	.	.			trans	-54.8	138.9	170.4	0	0	0	0	0	111.5	A417 V436 K437 N438 M464	A417-G440 CarbonylContact O-C 3.58Å; A417-G440 WeakPolarHBondContact O-CA 3.38Å; V436-G440 WeakPolarHBondContact CG1-O 3.1Å; K437-G440 PolarHBondContact O-N 2.92Å; N438-G440 PolarHBondContact O-N 3.31Å; N438-G440 VanDerWaalsContact O-N 3.08Å; G440-M464 PolarHBondContact O-N 2.69Å
441	N	98.4	Very high	98.3	Very high	61 Å²	61	37.2 Å²	37.2	33%	0.326	17%	0.17	S	C	.	.			trans	-141.3	68.3	-170.8	-172.7	51.2	0	0	0	112.3	A417 Q418 M464 G465	A417-N441 PolarHBondContact O-N 2.88Å; Q418-N441 HydrophobicContact CG-CB 4.45Å; N441-M464 HydrophobicContact CB-CB 3.97Å; N441-M464 WeakPolarHBondContact OD1-CB 3.41Å; N441-G465 WeakPolarHBondContact OD1-CA 3.36Å; N441-G465 PolarHBondContact OD1-N 2.9Å
442	P	98.6	Very high	98.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.157	C	C	.	.			trans	-77.6	155.9	-178.4	34.6	-39.2	0	0	0	112.9	I413 Y421 V436 I444 G465 Y466	I413-P442 HydrophobicContact CD1-CB 4.18Å; I413-P442 HydrophobicContact CD1-CG 4.09Å; I413-P442 HydrophobicContact CG1-CB 4.12Å; I413-P442 HydrophobicContact CG1-CG 4.31Å; I413-P442 HydrophobicContact CG2-CB 4.45Å; Y421-P442 HydrophobicContact CD2-CB 3.81Å; Y421-P442 HydrophobicContact CE2-CB 3.44Å; Y421-P442 VanDerWaalsContact CE2-CB 3.44Å; V436-P442 HydrophobicContact CG1-CG 4.16Å; V436-P442 HydrophobicContact CG2-CG 3.79Å; P442-I444 HydrophobicContact CB-CD1 3.82Å; P442-I444 HydrophobicContact CB-CG1 3.96Å; P442-I444 HydrophobicContact CG-CD1 3.54Å; P442-I444 HydrophobicContact CG-CG1 4.19Å; P442-G465 CarbonylContact O-C 3.55Å; P442-G465 WeakPolarHBondContact O-CA 3.19Å; P442-Y466 PolarHBondContact O-N 2.9Å
443	I	98.9	Very high	98.2	Very high	58 Å²	58	40 Å²	40	30%	0.297	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	111.2	171	-59.2	177.2	0	0	0	108.4	G419 I420 Y421 R445 Y466	G419-I443 PolarHBondContact O-N 2.85Å; I420-I443 CarbonylContact C-O 3.58Å; I420-I443 WeakPolarHBondContact CA-O 3.42Å; I420-I443 HydrophobicContact CG1-CB 4.5Å; Y421-I443 PolarHBondContact N-O 3.43Å; I443-R445 HydrophobicContact CG2-CG 4.33Å; I443-Y466 HydrophobicContact CG2-CD1 4.42Å
444	I	98.9	Very high	98.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	107.3	-166.1	-65.8	167.9	0	0	0	108.2	Y421 I434 P442 N447 Y466 F467 E468 C470	Y421-I444 HydrophobicContact CD2-CG1 3.9Å; Y421-I444 HydrophobicContact CG-CG1 4.3Å; Y421-I444 CarbonylContact O-C 3.55Å; Y421-I444 WeakPolarHBondContact O-CA 3.3Å; I434-I444 HydrophobicContact CD1-CD1 3.94Å; I434-I444 HydrophobicContact CD1-CG2 4.04Å; I434-I444 HydrophobicContact CG2-CD1 4.16Å; P442-I444 HydrophobicContact CB-CD1 3.82Å; P442-I444 HydrophobicContact CB-CG1 3.96Å; P442-I444 HydrophobicContact CG-CD1 3.54Å; P442-I444 HydrophobicContact CG-CG1 4.19Å; I444-N447 HydrophobicContact CG2-CB 4.46Å; I444-N447 WeakPolarHBondContact CG2-ND2 3.32Å; I444-Y466 PolarHBondContact N-O 3.45Å; I444-F467 HydrophobicContact CB-CD1 3.83Å; I444-F467 HydrophobicContact CB-CE1 4.06Å; I444-F467 HydrophobicContact CB-CG 4.4Å; I444-F467 HydrophobicContact CD1-CD1 4.01Å; I444-F467 HydrophobicContact CD1-CE1 3.31Å; I444-F467 HydrophobicContact CD1-CE2 4.44Å; I444-F467 HydrophobicContact CD1-CZ 3.57Å; I444-F467 HydrophobicContact CG1-CE1 4.25Å; I444-F467 HydrophobicContact CG2-CD1 3.73Å; I444-F467 HydrophobicContact CG2-CE1 4Å; I444-F467 CarbonylContact O-C 3.55Å; I444-F467 VanDerWaalsContact O-CA 3.32Å; I444-F467 WeakPolarHBondContact O-CA 3.22Å; I444-E468 PolarHBondContact O-N 2.9Å; I444-C470 PolarHBondContact O-SG 3.26Å
445	R	98.8	Very high	98.1	Very high	69 Å²	69	42 Å²	42	26%	0.26	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135.9	-173.7	-64.8	-162.4	166.8	96.6	6.7	114.1	Y421 E422 D423 I443 N447 E468	Y421-R445 PolarHBondContact O-N 2.65Å; E422-R445 VanDerWaalsContact CA-O 3.23Å; E422-R445 WeakPolarHBondContact CA-O 3.44Å; E422-R445 HydrophobicContact CB-CB 4.14Å; D423-R445 PolarHBondContact N-O 3.36Å; D423-R445 VanDerWaalsContact N-O 3.15Å; I443-R445 HydrophobicContact CG2-CG 4.33Å; R445-N447 PolarHBondContact N-ND2 2.94Å; R445-N447 VanDerWaalsContact N-ND2 3.11Å; R445-N447 PolarHBondContact O-N 2.92Å; R445-N447 PolarHBondContact O-ND2 3.44Å; R445-E468 CarbonylContact C-O 3.51Å; R445-E468 WeakPolarHBondContact CA-O 3.11Å; R445-E468 HydrophobicContact CG-CB 4.29Å; R445-E468 IonicContact CZ-OE2 3.78Å; R445-E468 IonicContact NE-OE2 3.48Å; R445-E468 PolarHBondContact NE-OE2 2.94Å; R445-E468 IonicContact NH2-OE2 3.15Å
446	R	98.8	Very high	98.1	Very high	108 Å²	108	39.1 Å²	39.1	41%	0.408	18%	0.177	S	C	.	.	S	Bend	trans	57.5	17.9	170	-52.1	-179.7	-60.3	-82.6	2.3	114.9	E422 D423 E468 S469	E422-R446 VanDerWaalsContact CD-NH2 3.29Å; E422-R446 IonicContact OE2-CZ 3.2Å; E422-R446 IonicContact OE2-NH1 2.67Å; E422-R446 PolarHBondContact OE2-NH1 3.29Å; E422-R446 IonicContact OE2-NH2 2.7Å; E422-R446 PolarHBondContact OE2-NH2 3.15Å; D423-R446 VanDerWaalsContact CG-NE 3.34Å; D423-R446 VanDerWaalsContact OD1-CB 3.22Å; D423-R446 WeakPolarHBondContact OD1-CB 3.3Å; D423-R446 WeakPolarHBondContact OD1-CD 3.12Å; D423-R446 IonicContact OD1-CZ 2.62Å; D423-R446 IonicContact OD1-NE 3.48Å; D423-R446 PolarHBondContact OD1-NE 3.15Å; D423-R446 IonicContact OD1-NH2 3.47Å; D423-R446 IonicContact OD2-CZ 2.71Å; D423-R446 VanDerWaalsContact OD2-CZ 3.3Å; D423-R446 IonicContact OD2-NE 3.4Å; D423-R446 PolarHBondContact OD2-NE 2.89Å; D423-R446 VanDerWaalsContact OD2-NE 3.15Å; D423-R446 IonicContact OD2-NH2 3.61Å; D423-R446 PolarHBondContact OD2-NH2 3.28Å; R446-E468 PolarHBondContact N-O 2.92Å; R446-S469 WeakPolarHBondContact CA-O 3.26Å
447	N	98.8	Very high	98.1	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.011	18%	0.177	C	C	.	.			trans	-80.8	152.6	-178.6	-57.6	-82.8	0	0	0	111.3	Y421 N424 I444 R445 I449 C470 N471	Y421-N447 PolarHBondContact O-ND2 3.38Å; N424-N447 VanDerWaalsContact CB-OD1 3.23Å; N424-N447 WeakPolarHBondContact CB-OD1 3.23Å; N424-N447 PolarHBondContact N-OD1 2.73Å; N424-N447 PolarHBondContact ND2-OD1 3.07Å; N424-N447 WeakPolarHBondContact O-CA 3.16Å; I444-N447 HydrophobicContact CG2-CB 4.46Å; I444-N447 WeakPolarHBondContact CG2-ND2 3.32Å; R445-N447 PolarHBondContact N-ND2 2.94Å; R445-N447 VanDerWaalsContact N-ND2 3.11Å; R445-N447 PolarHBondContact O-N 2.92Å; R445-N447 PolarHBondContact O-ND2 3.44Å; N447-I449 HydrophobicContact CB-CG1 4.33Å; N447-C470 VanDerWaalsContact O-CA 3.3Å; N447-C470 WeakPolarHBondContact O-CA 3.49Å; N447-C470 WeakPolarHBondContact O-CB 3.11Å; N447-N471 PolarHBondContact O-N 2.83Å
448	H	98.8	Very high	98.1	Very high	76 Å²	76	38.3 Å²	38.3	35%	0.352	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	116.4	179	-162.4	-149.3	0	0	0	108.6	N424 E425 I426 H450 N471 H473	N424-H448 PolarHBondContact O-N 3.36Å; E425-H448 IonicContact OE1-CE1 2.74Å; E425-H448 PolarHBondContact OE1-CE1 2.93Å; E425-H448 CovalentContact OE2-CE1 1.81Å; E425-H448 IonicContact OE2-CE1 2.61Å; E425-H448 PolarHBondContact OE2-CE1 2.91Å; E425-H448 IonicContact OE2-CG 3.53Å; E425-H448 IonicContact OE2-ND1 3.48Å; E425-H448 PolarHBondContact OE2-ND1 3.08Å; I426-H448 PolarHBondContact N-O 3.29Å; H448-H450 AromaticContact CE1-CD2 3.72Å; H448-H450 AromaticContact CE1-NE2 3.56Å; H448-H450 AromaticContact ND1-CD2 3.52Å; H448-H450 AromaticContact ND1-NE2 3.69Å; H448-H450 AromaticContact NE2-CD2 3.18Å; H448-H450 PolarHBondContact NE2-CD2 3.18Å; H448-H450 AromaticContact NE2-NE2 3.17Å; H448-H450 PolarHBondContact NE2-NE2 3.2Å; H448-H450 VanDerWaalsContact NE2-NE2 3.17Å; H448-N471 WeakPolarHBondContact CA-O 3.32Å; H448-H473 AromaticContact CD2-NE2 3.59Å
449	I	98.7	Very high	98.2	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	91.1	-167	-51.2	176.4	0	0	0	109	I426 I434 N447 G456 V457 N471 I472 H473 N475	I426-I449 WeakPolarHBondContact O-CA 3.46Å; I434-I449 HydrophobicContact CD1-CD1 3.51Å; I434-I449 HydrophobicContact CD1-CG1 4.45Å; I434-I449 HydrophobicContact CG1-CD1 4.11Å; N447-I449 HydrophobicContact CB-CG1 4.33Å; I449-G456 WeakPolarHBondContact CG2-O 3.14Å; I449-V457 HydrophobicContact CD1-CG2 3.64Å; I449-V457 HydrophobicContact CG2-CG2 4.46Å; I449-N471 PolarHBondContact N-O 2.95Å; I449-I472 HydrophobicContact CB-CG1 4.3Å; I449-I472 HydrophobicContact CB-CG2 4.38Å; I449-I472 HydrophobicContact CD1-CG1 4.28Å; I449-I472 WeakPolarHBondContact O-CA 3.5Å; I449-H473 PolarHBondContact O-N 2.97Å; I449-H473 VanDerWaalsContact O-N 3.1Å; I449-N475 PolarHBondContact O-ND2 3.28Å
450	H	98.4	Very high	98.2	Very high	22 Å²	22	33 Å²	33	10%	0.102	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	159.9	-163	77.7	19.6	0	0	0	117.8	E425 I426 S427 N428 H448 G452 H473 N475	E425-H450 IonicContact OE1-CE1 2.71Å; E425-H450 PolarHBondContact OE1-CE1 2.99Å; E425-H450 IonicContact OE1-ND1 3.35Å; E425-H450 IonicContact OE1-NE2 2.7Å; I426-H450 PolarHBondContact O-N 3.34Å; S427-H450 WeakPolarHBondContact CA-O 3.16Å; S427-H450 WeakPolarHBondContact CB-CE1 3.35Å; S427-H450 WeakPolarHBondContact CB-ND1 3.4Å; S427-H450 WeakPolarHBondContact CB-O 3.49Å; N428-H450 PolarHBondContact N-O 2.88Å; H448-H450 AromaticContact CE1-CD2 3.72Å; H448-H450 AromaticContact CE1-NE2 3.56Å; H448-H450 AromaticContact ND1-CD2 3.52Å; H448-H450 AromaticContact ND1-NE2 3.69Å; H448-H450 AromaticContact NE2-CD2 3.18Å; H448-H450 PolarHBondContact NE2-CD2 3.18Å; H448-H450 AromaticContact NE2-NE2 3.17Å; H448-H450 PolarHBondContact NE2-NE2 3.2Å; H448-H450 VanDerWaalsContact NE2-NE2 3.17Å; H450-G452 PolarHBondContact O-N 3.08Å; H450-G452 VanDerWaalsContact O-N 3.09Å; H450-H473 WeakPolarHBondContact CA-O 3.35Å; H450-H473 VanDerWaalsContact CB-O 3.23Å; H450-H473 WeakPolarHBondContact CB-O 3.34Å; H450-H473 AromaticContact CD2-CE1 3.52Å; H450-H473 AromaticContact CD2-NE2 3.33Å; H450-H473 PolarHBondContact CD2-NE2 2.87Å; H450-H473 VanDerWaalsContact CD2-NE2 3.33Å; H450-H473 AromaticContact CG-NE2 3.85Å; H450-N475 WeakPolarHBondContact CA-OD1 3.3Å
451	H	97.5	Very high	98.2	Very high	84 Å²	84	36.2 Å²	36.2	39%	0.389	16%	0.164	S	C	.	.	S	Bend	trans	57.7	17.8	175.8	-59.1	97.4	0	0	0	114.8	N428 H473 R474 N475	N428-H451 WeakPolarHBondContact OD1-CB 3.24Å; H451-H473 PolarHBondContact N-O 3.46Å; H451-H473 VanDerWaalsContact N-O 3.15Å; H451-R474 WeakPolarHBondContact NE2-CD 3.12Å; H451-N475 PolarHBondContact N-OD1 2.87Å; H451-N475 VanDerWaalsContact N-OD1 3.17Å
452	G	95.9	Very high	98.1	Very high	5 Å²	5	37.4 Å²	37.4	5%	0.052	17%	0.167	C	C	.	.			trans	-67	147.5	174.8	0	0	0	0	0	112.3	N429 H450 D454 N475 R476	N429-G452 WeakPolarHBondContact O-CA 3.33Å; H450-G452 PolarHBondContact O-N 3.08Å; H450-G452 VanDerWaalsContact O-N 3.09Å; G452-D454 PolarHBondContact O-N 3.38Å; G452-N475 PolarHBondContact N-OD1 3.32Å; G452-N475 WeakPolarHBondContact O-CA 3.4Å; G452-R476 PolarHBondContact O-N 3.41Å
453	R	96.8	Very high	98.1	Very high	114 Å²	114	37.4 Å²	37.4	43%	0.43	17%	0.167	S	C	.	.	S	Bend	trans	-78.3	4.6	-179.2	-47.5	-177.1	-165.2	150.8	5.9	113.4	E407 N429 R476	E407-R453 VanDerWaalsContact CD-NH1 3.28Å; E407-R453 IonicContact OE1-CZ 3.81Å; E407-R453 IonicContact OE1-NH1 3.82Å; E407-R453 PolarHBondContact OE1-NH1 2.89Å; E407-R453 IonicContact OE1-NH2 3.62Å; E407-R453 PolarHBondContact OE1-NH2 2.81Å; E407-R453 IonicContact OE2-CZ 3.69Å; E407-R453 IonicContact OE2-NH1 3.62Å; E407-R453 PolarHBondContact OE2-NH1 3.02Å; E407-R453 IonicContact OE2-NH2 3.71Å; N429-R453 PolarHBondContact O-N 2.87Å; R453-R476 VanDerWaalsContact C-CB 3.48Å; R453-R476 WeakPolarHBondContact O-CB 3.36Å; R453-R476 WeakPolarHBondContact O-CD 3.38Å
454	D	96.8	Very high	98.1	Very high	39 Å²	39	37.7 Å²	37.7	21%	0.209	17%	0.168	C	C	.	.	S	Bend	trans	-140.6	-150.3	-175.5	-167.4	8.1	0	0	0	110.5	L431 A432 G452 R476 I477	L431-D454 VanDerWaalsContact C-CB 3.5Å; A432-D454 PolarHBondContact N-OD2 3.28Å; G452-D454 PolarHBondContact O-N 3.38Å; D454-R476 PolarHBondContact O-N 2.8Å; D454-R476 VanDerWaalsContact O-N 3.14Å; D454-I477 PolarHBondContact O-N 2.98Å
455	V	97.5	Very high	98.1	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.03	17%	0.17	C	C	.	.			trans	-66.5	148.1	172	-176.3	0	0	0	0	111.8	A432 G433 V457 F458 I477 A478 E481	A432-V455 WeakPolarHBondContact CA-O 3.27Å; A432-V455 HydrophobicContact CB-CB 4.31Å; A432-V455 VanDerWaalsContact CB-O 3.24Å; A432-V455 WeakPolarHBondContact CB-O 3.42Å; G433-V455 PolarHBondContact N-O 2.89Å; V455-V457 VanDerWaalsContact CG1-O 3.22Å; V455-V457 WeakPolarHBondContact CG1-O 3.19Å; V455-F458 HydrophobicContact CB-CB 4.48Å; V455-F458 HydrophobicContact CG1-CB 4.19Å; V455-I477 HydrophobicContact CG2-CB 3.79Å; V455-I477 HydrophobicContact CG2-CG2 3.84Å; V455-A478 CarbonylContact C-O 3.6Å; V455-A478 WeakPolarHBondContact CA-O 3.3Å; V455-A478 HydrophobicContact CG1-CB 4.37Å; V455-A478 WeakPolarHBondContact CG1-O 3.23Å; V455-E481 HydrophobicContact CG1-CB 3.82Å; V455-E481 HydrophobicContact CG2-CB 4.39Å
456	G	98	Very high	98.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-66.8	-62.4	171.4	0	0	0	0	0	112.8	G433 I434 I449 N475 A478 G479	G433-G456 VanDerWaalsContact CA-O 3.3Å; G433-G456 WeakPolarHBondContact CA-O 3.04Å; G433-G456 PolarHBondContact N-O 2.84Å; G433-G456 VanDerWaalsContact N-O 3.09Å; I434-G456 PolarHBondContact N-O 2.87Å; I449-G456 WeakPolarHBondContact CG2-O 3.14Å; G456-N475 WeakPolarHBondContact CA-ND2 3.5Å; G456-A478 PolarHBondContact N-O 2.9Å; G456-G479 CarbonylContact C-O 3.58Å; G456-G479 WeakPolarHBondContact CA-O 3.44Å; G456-G479 PolarHBondContact N-O 3.36Å
457	V	98.7	Very high	98.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	127.8	174.6	179.3	0	0	0	0	109.8	I434 I449 V455 T459 F467 I472 G479 F480 E481	I434-V457 HydrophobicContact CB-CG1 4.36Å; I434-V457 HydrophobicContact CB-CG2 4.27Å; I434-V457 HydrophobicContact CD1-CG2 4.43Å; I434-V457 HydrophobicContact CG1-CG2 4.46Å; I434-V457 WeakPolarHBondContact O-CA 3.24Å; I449-V457 HydrophobicContact CD1-CG2 3.64Å; I449-V457 HydrophobicContact CG2-CG2 4.46Å; V455-V457 VanDerWaalsContact CG1-O 3.22Å; V455-V457 WeakPolarHBondContact CG1-O 3.19Å; V457-T459 HydrophobicContact CG1-CG2 4.19Å; V457-F467 HydrophobicContact CB-CE1 4.4Å; V457-F467 HydrophobicContact CG1-CD1 4.47Å; V457-F467 HydrophobicContact CG1-CE1 3.5Å; V457-F467 HydrophobicContact CG1-CZ 3.54Å; V457-F467 HydrophobicContact CG2-CE1 4.04Å; V457-I472 HydrophobicContact CG2-CD1 4.03Å; V457-G479 PolarHBondContact N-O 3.47Å; V457-F480 HydrophobicContact CB-CD2 3.88Å; V457-F480 HydrophobicContact CB-CE2 3.86Å; V457-F480 HydrophobicContact CB-CG 4.24Å; V457-F480 HydrophobicContact CB-CZ 4.18Å; V457-F480 HydrophobicContact CG1-CD1 4.49Å; V457-F480 HydrophobicContact CG1-CD2 4.13Å; V457-F480 HydrophobicContact CG1-CE1 3.98Å; V457-F480 HydrophobicContact CG1-CE2 3.6Å; V457-F480 HydrophobicContact CG1-CZ 3.52Å; V457-F480 HydrophobicContact CG2-CD2 4.38Å; V457-F480 HydrophobicContact CG2-CE2 4.32Å; V457-F480 CarbonylContact O-C 3.57Å; V457-F480 WeakPolarHBondContact O-CA 3.48Å; V457-E481 PolarHBondContact O-N 2.87Å
458	F	98.6	Very high	98.1	Very high	27 Å²	27	34.5 Å²	34.5	12%	0.118	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.9	176.1	-178.4	-149.1	0	0	0	111.2	I434 W435 V436 V455 F460 E481 K483	I434-F458 PolarHBondContact O-N 3.29Å; W435-F458 WeakPolarHBondContact CA-O 3.21Å; W435-F458 AromaticContact CD1-CD1 4Å; W435-F458 AromaticContact NE1-CD1 3.7Å; V436-F458 PolarHBondContact N-O 3.4Å; V455-F458 HydrophobicContact CB-CB 4.48Å; V455-F458 HydrophobicContact CG1-CB 4.19Å; F458-F460 AromaticContact CD1-CD1 3.52Å; F458-F460 HydrophobicContact CD1-CD1 3.52Å; F458-F460 AromaticContact CD1-CE1 3.62Å; F458-F460 HydrophobicContact CD1-CE1 3.62Å; F458-F460 HydrophobicContact CD1-CG 4.46Å; F458-F460 HydrophobicContact CD2-CD1 4.14Å; F458-F460 HydrophobicContact CE1-CB 4.47Å; F458-F460 AromaticContact CE1-CD1 3.47Å; F458-F460 HydrophobicContact CE1-CD1 3.47Å; F458-F460 VanDerWaalsContact CE1-CD1 3.47Å; F458-F460 AromaticContact CE1-CE1 3.71Å; F458-F460 HydrophobicContact CE1-CE1 3.71Å; F458-F460 AromaticContact CE1-CG 4Å; F458-F460 HydrophobicContact CE1-CG 4Å; F458-F460 HydrophobicContact CE1-CZ 4.39Å; F458-F460 HydrophobicContact CE2-CB 4Å; F458-F460 HydrophobicContact CE2-CD1 4.11Å; F458-F460 HydrophobicContact CE2-CG 4.35Å; F458-F460 AromaticContact CG-CD1 3.88Å; F458-F460 HydrophobicContact CG-CD1 3.88Å; F458-F460 HydrophobicContact CG-CE1 4.3Å; F458-F460 HydrophobicContact CZ-CB 3.93Å; F458-F460 AromaticContact CZ-CD1 3.78Å; F458-F460 HydrophobicContact CZ-CD1 3.78Å; F458-F460 HydrophobicContact CZ-CE1 4.46Å; F458-F460 AromaticContact CZ-CG 3.94Å; F458-F460 HydrophobicContact CZ-CG 3.94Å; F458-E481 HydrophobicContact CD2-CB 3.69Å; F458-E481 HydrophobicContact CD2-CG 3.72Å; F458-E481 HydrophobicContact CE2-CB 4.3Å; F458-E481 HydrophobicContact CE2-CG 3.8Å; F458-E481 WeakPolarHBondContact CE2-OE1 3.4Å; F458-E481 HydrophobicContact CG-CB 4.48Å; F458-K483 HydrophobicContact CE2-CB 4.49Å; F458-K483 HydrophobicContact CE2-CD 4.03Å; F458-K483 HydrophobicContact CE2-CG 3.89Å; F458-K483 HydrophobicContact CZ-CD 3.85Å; F458-K483 HydrophobicContact CZ-CG 4.04Å
459	T	98.6	Very high	98.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	124.6	180	62.4	0	0	0	0	110.1	V436 V457 F467 F480 E481 V482 K483 A486 P488	V436-T459 HydrophobicContact CB-CG2 4.04Å; V436-T459 HydrophobicContact CG2-CG2 4.15Å; V436-T459 WeakPolarHBondContact O-CA 3.48Å; V457-T459 HydrophobicContact CG1-CG2 4.19Å; T459-F467 HydrophobicContact CG2-CZ 4.48Å; T459-F480 HydrophobicContact CG2-CE1 3.71Å; T459-F480 HydrophobicContact CG2-CZ 3.92Å; T459-E481 PolarHBondContact N-O 3.19Å; T459-E481 PolarHBondContact OG1-O 3.22Å; T459-E481 VanDerWaalsContact OG1-O 3.13Å; T459-V482 CarbonylContact O-C 3.55Å; T459-V482 WeakPolarHBondContact O-CA 3.26Å; T459-K483 PolarHBondContact O-N 2.94Å; T459-A486 WeakPolarHBondContact O-CB 3.32Å; T459-P488 HydrophobicContact CG2-CB 4.22Å; T459-P488 HydrophobicContact CG2-CG 4.21Å
460	F	98.3	Very high	98.1	Very high	23 Å²	23	33.7 Å²	33.7	10%	0.101	16%	0.162	C	C	.	.			trans	-150.1	173.9	-173.1	61.8	-79.7	0	0	0	112.3	W435 V436 K437 F458 H462 G463 K483	W435-F460 HydrophobicContact CB-CE1 4.35Å; W435-F460 HydrophobicContact CD2-CE1 4.08Å; W435-F460 HydrophobicContact CD2-CZ 4.31Å; W435-F460 HydrophobicContact CE3-CE1 4.43Å; W435-F460 HydrophobicContact CE3-CZ 4.22Å; W435-F460 HydrophobicContact CG-CE1 4.05Å; V436-F460 PolarHBondContact O-N 2.93Å; K437-F460 VanDerWaalsContact CA-O 3.29Å; K437-F460 WeakPolarHBondContact CA-O 3.38Å; K437-F460 HydrophobicContact CB-CD1 4.2Å; K437-F460 HydrophobicContact CB-CD2 3.88Å; K437-F460 HydrophobicContact CB-CE1 4.03Å; K437-F460 HydrophobicContact CB-CE2 3.71Å; K437-F460 HydrophobicContact CB-CG 4.13Å; K437-F460 HydrophobicContact CB-CZ 3.79Å; K437-F460 HydrophobicContact CD-CD2 4.4Å; K437-F460 HydrophobicContact CD-CE2 3.52Å; K437-F460 HydrophobicContact CD-CZ 3.69Å; K437-F460 HydrophobicContact CG-CE2 4.22Å; K437-F460 HydrophobicContact CG-CZ 4.23Å; F458-F460 AromaticContact CD1-CD1 3.52Å; F458-F460 HydrophobicContact CD1-CD1 3.52Å; F458-F460 AromaticContact CD1-CE1 3.62Å; F458-F460 HydrophobicContact CD1-CE1 3.62Å; F458-F460 HydrophobicContact CD1-CG 4.46Å; F458-F460 HydrophobicContact CD2-CD1 4.14Å; F458-F460 HydrophobicContact CE1-CB 4.47Å; F458-F460 AromaticContact CE1-CD1 3.47Å; F458-F460 HydrophobicContact CE1-CD1 3.47Å; F458-F460 VanDerWaalsContact CE1-CD1 3.47Å; F458-F460 AromaticContact CE1-CE1 3.71Å; F458-F460 HydrophobicContact CE1-CE1 3.71Å; F458-F460 AromaticContact CE1-CG 4Å; F458-F460 HydrophobicContact CE1-CG 4Å; F458-F460 HydrophobicContact CE1-CZ 4.39Å; F458-F460 HydrophobicContact CE2-CB 4Å; F458-F460 HydrophobicContact CE2-CD1 4.11Å; F458-F460 HydrophobicContact CE2-CG 4.35Å; F458-F460 AromaticContact CG-CD1 3.88Å; F458-F460 HydrophobicContact CG-CD1 3.88Å; F458-F460 HydrophobicContact CG-CE1 4.3Å; F458-F460 HydrophobicContact CZ-CB 3.93Å; F458-F460 AromaticContact CZ-CD1 3.78Å; F458-F460 HydrophobicContact CZ-CD1 3.78Å; F458-F460 HydrophobicContact CZ-CE1 4.46Å; F458-F460 AromaticContact CZ-CG 3.94Å; F458-F460 HydrophobicContact CZ-CG 3.94Å; F460-H462 PolarHBondContact O-N 3.26Å; F460-G463 WeakPolarHBondContact O-CA 3.38Å; F460-G463 PolarHBondContact O-N 2.88Å; F460-K483 WeakPolarHBondContact CA-O 3.37Å; F460-K483 HydrophobicContact CB-CG 3.83Å
461	D	97.8	Very high	98.1	Very high	68 Å²	68	34.8 Å²	34.8	36%	0.364	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	42.7	59.9	179.3	-61.6	-27	0	0	0	114.1	N438 G463 A484	N438-D461 WeakPolarHBondContact CA-O 3.12Å; N438-D461 PolarHBondContact N-O 3.15Å; D461-G463 PolarHBondContact O-N 2.89Å; D461-A484 PolarHBondContact N-O 2.91Å; D461-A484 WeakPolarHBondContact OD1-CB 3.4Å
462	H	98.3	Very high	98.2	Very high	85 Å²	85	30.8 Å²	30.8	39%	0.394	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	19	-175.5	-47.9	87	0	0	0	115.6	H439 F460 A484 Y485	H439-H462 WeakPolarHBondContact CE1-CB 3.05Å; H439-H462 AromaticContact CE1-CG 3.67Å; H439-H462 WeakPolarHBondContact ND1-CB 3.37Å; F460-H462 PolarHBondContact O-N 3.26Å; H462-A484 PolarHBondContact N-O 3.32Å; H462-Y485 AromaticContact NE2-CD2 3.72Å; H462-Y485 AromaticContact NE2-CG 3.97Å
463	G	98.4	Very high	98.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.151	C	C	.	.			trans	-56.9	144.9	170.7	0	0	0	0	0	112.6	F460 D461 A486 N487	F460-G463 WeakPolarHBondContact O-CA 3.38Å; F460-G463 PolarHBondContact O-N 2.88Å; D461-G463 PolarHBondContact O-N 2.89Å; G463-A486 CarbonylContact O-C 3.59Å; G463-A486 WeakPolarHBondContact O-CA 3.39Å; G463-A486 VanDerWaalsContact O-CB 3.27Å; G463-A486 WeakPolarHBondContact O-CB 3.22Å; G463-N487 PolarHBondContact O-N 3.39Å
464	M	98.3	Very high	98.3	Very high	64 Å²	64	31.7 Å²	31.7	32%	0.315	15%	0.153	S	C	.	.			trans	-120.7	-134.4	-174.4	-62.4	-64.7	-58.6	0	0	109.2	G440 N441 N487	G440-M464 PolarHBondContact O-N 2.69Å; N441-M464 HydrophobicContact CB-CB 3.97Å; N441-M464 WeakPolarHBondContact OD1-CB 3.41Å; M464-N487 HydrophobicContact CE-CB 4.29Å; M464-N487 VanDerWaalsContact CE-O 3.24Å; M464-N487 WeakPolarHBondContact CE-O 3.43Å; M464-N487 HydrophobicContact SD-CB 3.9Å
465	G	97.9	Very high	98.3	Very high	3 Å²	3	29.9 Å²	29.9	3%	0.031	14%	0.143	C	C	.	.			trans	105.2	151.2	177.1	0	0	0	0	0	114.2	N441 P442 P488 T489	N441-G465 WeakPolarHBondContact OD1-CA 3.36Å; N441-G465 PolarHBondContact OD1-N 2.9Å; P442-G465 CarbonylContact O-C 3.55Å; P442-G465 WeakPolarHBondContact O-CA 3.19Å; G465-P488 WeakPolarHBondContact O-CA 3.5Å; G465-T489 PolarHBondContact O-N 3.17Å
466	Y	98.9	Very high	98.3	Very high	71 Å²	71	36.7 Å²	36.7	28%	0.278	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	114.7	178.1	-175.9	-95.5	0	0	0	109.7	P442 I443 I444 E468 T489 V491	P442-Y466 PolarHBondContact O-N 2.9Å; I443-Y466 HydrophobicContact CG2-CD1 4.42Å; I444-Y466 PolarHBondContact N-O 3.45Å; Y466-E468 HydrophobicContact CD1-CB 4.25Å; Y466-E468 HydrophobicContact CE1-CB 3.6Å; Y466-E468 HydrophobicContact CE1-CG 4.37Å; Y466-T489 CarbonylContact C-O 3.58Å; Y466-T489 WeakPolarHBondContact CA-O 3.32Å; Y466-T489 HydrophobicContact CD2-CG2 3.82Å; Y466-T489 HydrophobicContact CE2-CG2 3.88Å; Y466-V491 HydrophobicContact CE2-CG2 3.88Å
467	F	98.9	Very high	98.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.9	-176.9	-62.8	-102.7	0	0	0	109	V436 I444 V457 T459 F480 P488 T489 V490 V491	V436-F467 HydrophobicContact CG2-CZ 4.23Å; I444-F467 HydrophobicContact CB-CD1 3.83Å; I444-F467 HydrophobicContact CB-CE1 4.06Å; I444-F467 HydrophobicContact CB-CG 4.4Å; I444-F467 HydrophobicContact CD1-CD1 4.01Å; I444-F467 HydrophobicContact CD1-CE1 3.31Å; I444-F467 HydrophobicContact CD1-CE2 4.44Å; I444-F467 HydrophobicContact CD1-CZ 3.57Å; I444-F467 HydrophobicContact CG1-CE1 4.25Å; I444-F467 HydrophobicContact CG2-CD1 3.73Å; I444-F467 HydrophobicContact CG2-CE1 4Å; I444-F467 CarbonylContact O-C 3.55Å; I444-F467 VanDerWaalsContact O-CA 3.32Å; I444-F467 WeakPolarHBondContact O-CA 3.22Å; V457-F467 HydrophobicContact CB-CE1 4.4Å; V457-F467 HydrophobicContact CG1-CD1 4.47Å; V457-F467 HydrophobicContact CG1-CE1 3.5Å; V457-F467 HydrophobicContact CG1-CZ 3.54Å; V457-F467 HydrophobicContact CG2-CE1 4.04Å; T459-F467 HydrophobicContact CG2-CZ 4.48Å; F467-F480 AromaticContact CD1-CE2 3.93Å; F467-F480 HydrophobicContact CD1-CE2 3.93Å; F467-F480 HydrophobicContact CD1-CZ 4.47Å; F467-F480 AromaticContact CD2-CE2 3.93Å; F467-F480 HydrophobicContact CD2-CE2 3.93Å; F467-F480 AromaticContact CD2-CZ 3.87Å; F467-F480 HydrophobicContact CD2-CZ 3.87Å; F467-F480 HydrophobicContact CE1-CE2 4.05Å; F467-F480 HydrophobicContact CE1-CZ 4.27Å; F467-F480 HydrophobicContact CE2-CE2 4.08Å; F467-F480 AromaticContact CE2-CZ 3.67Å; F467-F480 HydrophobicContact CE2-CZ 3.67Å; F467-F480 AromaticContact CG-CE2 3.88Å; F467-F480 HydrophobicContact CG-CE2 3.88Å; F467-F480 HydrophobicContact CG-CZ 4.28Å; F467-F480 HydrophobicContact CZ-CE2 4.13Å; F467-F480 AromaticContact CZ-CZ 3.88Å; F467-F480 HydrophobicContact CZ-CZ 3.88Å; F467-P488 HydrophobicContact CD2-CB 4.34Å; F467-P488 HydrophobicContact CE2-CB 4.09Å; F467-T489 PolarHBondContact N-O 3.04Å; F467-V490 HydrophobicContact CB-CB 4.43Å; F467-V490 HydrophobicContact CB-CG1 4.17Å; F467-V490 HydrophobicContact CB-CG2 4.27Å; F467-V490 HydrophobicContact CD2-CG2 4.22Å; F467-V490 HydrophobicContact CG-CG2 4.48Å; F467-V490 WeakPolarHBondContact O-CA 3.3Å; F467-V491 PolarHBondContact O-N 2.89Å
468	E	98.8	Very high	98.1	Very high	38 Å²	38	39.5 Å²	39.5	18%	0.178	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	126.4	-175.4	171	171.4	-136.9	0	0	112.6	I444 R445 R446 Y466 C470 V491 R492	I444-E468 PolarHBondContact O-N 2.9Å; R445-E468 CarbonylContact C-O 3.51Å; R445-E468 WeakPolarHBondContact CA-O 3.11Å; R445-E468 HydrophobicContact CG-CB 4.29Å; R445-E468 IonicContact CZ-OE2 3.78Å; R445-E468 IonicContact NE-OE2 3.48Å; R445-E468 PolarHBondContact NE-OE2 2.94Å; R445-E468 IonicContact NH2-OE2 3.15Å; R446-E468 PolarHBondContact N-O 2.92Å; Y466-E468 HydrophobicContact CD1-CB 4.25Å; Y466-E468 HydrophobicContact CE1-CB 3.6Å; Y466-E468 HydrophobicContact CE1-CG 4.37Å; E468-C470 PolarHBondContact O-N 3.04Å; E468-C470 VanDerWaalsContact O-N 3.11Å; E468-V491 WeakPolarHBondContact CA-O 3.48Å; E468-R492 IonicContact OE1-CZ 3.85Å; E468-R492 IonicContact OE1-NH2 2.89Å; E468-R492 PolarHBondContact OE1-NH2 3.17Å
469	S	98.8	Very high	98	Very high	58 Å²	58	38.4 Å²	38.4	41%	0.406	18%	0.179	S	C	.	.	S	Bend	trans	54.9	26.6	176.2	-55.1	0	0	0	0	114.8	R446 V491	R446-S469 WeakPolarHBondContact CA-O 3.26Å; S469-V491 PolarHBondContact N-O 2.9Å; S469-V491 VanDerWaalsContact N-O 3.1Å
470	C	98.9	Very high	98	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.007	18%	0.179	C	C	.	.			trans	-79.7	149.5	174.8	-62	0	0	0	0	111	I444 N447 E468 I472 C493 E494	I444-C470 PolarHBondContact O-SG 3.26Å; N447-C470 VanDerWaalsContact O-CA 3.3Å; N447-C470 WeakPolarHBondContact O-CA 3.49Å; N447-C470 WeakPolarHBondContact O-CB 3.11Å; E468-C470 PolarHBondContact O-N 3.04Å; E468-C470 VanDerWaalsContact O-N 3.11Å; C470-I472 HydrophobicContact CB-CG1 4.37Å; C470-C493 PolarHBondContact N-SG 3.44Å; C470-C493 VanDerWaalsContact N-SG 3.43Å; C470-C493 CarbonylContact O-C 3.39Å; C470-C493 VanDerWaalsContact O-CA 3.23Å; C470-C493 WeakPolarHBondContact O-CA 2.99Å; C470-C493 VanDerWaalsContact O-CB 3.28Å; C470-C493 WeakPolarHBondContact O-CB 3.1Å; C470-E494 PolarHBondContact O-N 3.26Å
471	N	98.8	Very high	98	Very high	46 Å²	46	38.3 Å²	38.3	25%	0.246	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	118	173.1	179.5	-3.2	0	0	0	109.5	N447 H448 I449 H473 H496	N447-N471 PolarHBondContact O-N 2.83Å; H448-N471 WeakPolarHBondContact CA-O 3.32Å; I449-N471 PolarHBondContact N-O 2.95Å; N471-H473 PolarHBondContact OD1-CD2 2.86Å; N471-H496 PolarHBondContact OD1-NE2 3.02Å
472	I	98.8	Very high	98.1	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	109.8	-169.6	-51.2	176.3	0	0	0	108.8	I449 V457 C470 G479 F480 E494 I495 H496	I449-I472 HydrophobicContact CB-CG1 4.3Å; I449-I472 HydrophobicContact CB-CG2 4.38Å; I449-I472 HydrophobicContact CD1-CG1 4.28Å; I449-I472 WeakPolarHBondContact O-CA 3.5Å; V457-I472 HydrophobicContact CG2-CD1 4.03Å; C470-I472 HydrophobicContact CB-CG1 4.37Å; I472-G479 WeakPolarHBondContact CG2-O 3.12Å; I472-F480 HydrophobicContact CD1-CD2 4.11Å; I472-E494 PolarHBondContact N-O 3.37Å; I472-I495 HydrophobicContact CD1-CG1 4.45Å; I472-I495 WeakPolarHBondContact O-CA 3.28Å; I472-H496 PolarHBondContact O-N 2.88Å
473	H	98.3	Very high	98.1	Very high	16 Å²	16	33.2 Å²	33.2	7%	0.074	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	161.7	-170	69.8	107.4	0	0	0	117.8	H448 I449 H450 H451 N471 N475 H496	H448-H473 AromaticContact CD2-NE2 3.59Å; I449-H473 PolarHBondContact O-N 2.97Å; I449-H473 VanDerWaalsContact O-N 3.1Å; H450-H473 WeakPolarHBondContact CA-O 3.35Å; H450-H473 VanDerWaalsContact CB-O 3.23Å; H450-H473 WeakPolarHBondContact CB-O 3.34Å; H450-H473 AromaticContact CD2-CE1 3.52Å; H450-H473 AromaticContact CD2-NE2 3.33Å; H450-H473 PolarHBondContact CD2-NE2 2.87Å; H450-H473 VanDerWaalsContact CD2-NE2 3.33Å; H450-H473 AromaticContact CG-NE2 3.85Å; H451-H473 PolarHBondContact N-O 3.46Å; H451-H473 VanDerWaalsContact N-O 3.15Å; N471-H473 PolarHBondContact OD1-CD2 2.86Å; H473-N475 PolarHBondContact O-N 2.97Å; H473-N475 PolarHBondContact O-ND2 3.06Å; H473-N475 PolarHBondContact O-OD1 3.06Å; H473-H496 WeakPolarHBondContact CA-O 3.37Å; H473-H496 WeakPolarHBondContact CB-CE1 3.41Å; H473-H496 WeakPolarHBondContact CB-ND1 3.11Å; H473-H496 WeakPolarHBondContact CB-O 3.24Å; H473-H496 AromaticContact CD2-CE1 3.89Å; H473-H496 AromaticContact CG-CE1 3.42Å; H473-H496 VanDerWaalsContact CG-CE1 3.42Å; H473-H496 AromaticContact CG-ND1 3.83Å; H473-H496 AromaticContact ND1-CE1 3.8Å
474	R	96.9	Very high	98	Very high	121 Å²	121	33.9 Å²	33.9	46%	0.457	16%	0.158	S	C	.	.	S	Bend	trans	57.6	12.4	174	-62.4	173.5	-175.5	-94.9	-5.6	115.1	H451 H496 H497	H451-R474 WeakPolarHBondContact NE2-CD 3.12Å; R474-H496 PolarHBondContact N-O 3.31Å; R474-H497 VanDerWaalsContact CA-O 3.32Å; R474-H497 WeakPolarHBondContact CA-O 3.41Å; R474-H497 HydrophobicContact CG-CB 3.99Å; R474-H497 PolarHBondContact N-O 2.81Å
475	N	97.2	Very high	98	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.011	16%	0.162	C	C	.	.			trans	-69.9	151	172.4	-58.7	-49.1	0	0	0	109.9	I449 H450 H451 G452 G456 H473 Q499	I449-N475 PolarHBondContact O-ND2 3.28Å; H450-N475 WeakPolarHBondContact CA-OD1 3.3Å; H451-N475 PolarHBondContact N-OD1 2.87Å; H451-N475 VanDerWaalsContact N-OD1 3.17Å; G452-N475 PolarHBondContact N-OD1 3.32Å; G452-N475 WeakPolarHBondContact O-CA 3.4Å; G456-N475 WeakPolarHBondContact CA-ND2 3.5Å; H473-N475 PolarHBondContact O-N 2.97Å; H473-N475 PolarHBondContact O-ND2 3.06Å; H473-N475 PolarHBondContact O-OD1 3.06Å; N475-Q499 PolarHBondContact O-N 3.09Å
476	R	96.9	Very high	98	Very high	147 Å²	147	35.7 Å²	35.7	56%	0.555	16%	0.161	S	C	*	.	S	Bend	trans	-77	-29.6	-170.9	-163.7	-165.6	-179.2	-172.6	-1	113.8	G452 R453 D454 Q499	G452-R476 PolarHBondContact O-N 3.41Å; R453-R476 VanDerWaalsContact C-CB 3.48Å; R453-R476 WeakPolarHBondContact O-CB 3.36Å; R453-R476 WeakPolarHBondContact O-CD 3.38Å; D454-R476 PolarHBondContact O-N 2.8Å; D454-R476 VanDerWaalsContact O-N 3.14Å; R476-Q499 WeakPolarHBondContact O-CB 3.26Å
477	I	96.1	Very high	98	Very high	59 Å²	59	34.3 Å²	34.3	30%	0.303	16%	0.159	S	C	.	.	S	Bend	trans	-107.5	-137.5	174.9	-46.7	-64.7	0	0	0	107.2	D454 V455 T500	D454-I477 PolarHBondContact O-N 2.98Å; V455-I477 HydrophobicContact CG2-CB 3.79Å; V455-I477 HydrophobicContact CG2-CG2 3.84Å; I477-T500 PolarHBondContact O-OG1 3.42Å
478	A	96.3	Very high	98	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.008	16%	0.159	C	C	.	.			trans	-73.8	155.5	-176.5	0	0	0	0	0	111.2	V455 G456 E481 T500 G501	V455-A478 CarbonylContact C-O 3.6Å; V455-A478 WeakPolarHBondContact CA-O 3.3Å; V455-A478 HydrophobicContact CG1-CB 4.37Å; V455-A478 WeakPolarHBondContact CG1-O 3.23Å; G456-A478 PolarHBondContact N-O 2.9Å; A478-E481 HydrophobicContact CB-CB 4.49Å; A478-T500 PolarHBondContact N-OG1 3.37Å; A478-G501 VanDerWaalsContact CA-O 3.28Å; A478-G501 WeakPolarHBondContact CA-O 3.36Å
479	G	97.4	Very high	98	Very high	3 Å²	3	34 Å²	34	3%	0.031	16%	0.159	C	C	.	.	S	Bend	trans	-63.6	-51.1	164.8	0	0	0	0	0	110.5	G456 V457 I472 G501 G502	G456-G479 CarbonylContact C-O 3.58Å; G456-G479 WeakPolarHBondContact CA-O 3.44Å; G456-G479 PolarHBondContact N-O 3.36Å; V457-G479 PolarHBondContact N-O 3.47Å; I472-G479 WeakPolarHBondContact CG2-O 3.12Å; G479-G501 PolarHBondContact N-O 3.1Å; G479-G502 CarbonylContact C-O 3.57Å; G479-G502 VanDerWaalsContact CA-O 3.29Å; G479-G502 WeakPolarHBondContact CA-O 3.33Å; G479-G502 PolarHBondContact N-O 3.04Å
480	F	98.4	Very high	98	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	128.2	178.9	-150.8	-63.2	0	0	0	110.8	V457 T459 F467 I472 V482 P488 V490 I495 G502 I503 Y504 F513	V457-F480 HydrophobicContact CB-CD2 3.88Å; V457-F480 HydrophobicContact CB-CE2 3.86Å; V457-F480 HydrophobicContact CB-CG 4.24Å; V457-F480 HydrophobicContact CB-CZ 4.18Å; V457-F480 HydrophobicContact CG1-CD1 4.49Å; V457-F480 HydrophobicContact CG1-CD2 4.13Å; V457-F480 HydrophobicContact CG1-CE1 3.98Å; V457-F480 HydrophobicContact CG1-CE2 3.6Å; V457-F480 HydrophobicContact CG1-CZ 3.52Å; V457-F480 HydrophobicContact CG2-CD2 4.38Å; V457-F480 HydrophobicContact CG2-CE2 4.32Å; V457-F480 CarbonylContact O-C 3.57Å; V457-F480 WeakPolarHBondContact O-CA 3.48Å; T459-F480 HydrophobicContact CG2-CE1 3.71Å; T459-F480 HydrophobicContact CG2-CZ 3.92Å; F467-F480 AromaticContact CD1-CE2 3.93Å; F467-F480 HydrophobicContact CD1-CE2 3.93Å; F467-F480 HydrophobicContact CD1-CZ 4.47Å; F467-F480 AromaticContact CD2-CE2 3.93Å; F467-F480 HydrophobicContact CD2-CE2 3.93Å; F467-F480 AromaticContact CD2-CZ 3.87Å; F467-F480 HydrophobicContact CD2-CZ 3.87Å; F467-F480 HydrophobicContact CE1-CE2 4.05Å; F467-F480 HydrophobicContact CE1-CZ 4.27Å; F467-F480 HydrophobicContact CE2-CE2 4.08Å; F467-F480 AromaticContact CE2-CZ 3.67Å; F467-F480 HydrophobicContact CE2-CZ 3.67Å; F467-F480 AromaticContact CG-CE2 3.88Å; F467-F480 HydrophobicContact CG-CE2 3.88Å; F467-F480 HydrophobicContact CG-CZ 4.28Å; F467-F480 HydrophobicContact CZ-CE2 4.13Å; F467-F480 AromaticContact CZ-CZ 3.88Å; F467-F480 HydrophobicContact CZ-CZ 3.88Å; I472-F480 HydrophobicContact CD1-CD2 4.11Å; F480-V482 HydrophobicContact CD1-CG2 3.84Å; F480-V482 HydrophobicContact CE1-CG2 3.87Å; F480-P488 HydrophobicContact CE1-CB 4.23Å; F480-P488 HydrophobicContact CE1-CG 3.72Å; F480-P488 HydrophobicContact CZ-CB 3.99Å; F480-P488 HydrophobicContact CZ-CG 3.99Å; F480-V490 HydrophobicContact CD2-CG1 4.31Å; F480-V490 HydrophobicContact CD2-CG2 4.02Å; F480-V490 HydrophobicContact CE1-CG2 4.33Å; F480-V490 HydrophobicContact CE2-CG1 4.27Å; F480-V490 HydrophobicContact CE2-CG2 3.47Å; F480-V490 VanDerWaalsContact CE2-CG2 3.47Å; F480-V490 HydrophobicContact CZ-CG2 3.66Å; F480-I495 HydrophobicContact CB-CD1 4.43Å; F480-G502 PolarHBondContact N-O 3.28Å; F480-I503 HydrophobicContact CB-CG1 4.24Å; F480-I503 CarbonylContact O-C 3.53Å; F480-I503 VanDerWaalsContact O-CA 3.32Å; F480-I503 WeakPolarHBondContact O-CA 3.48Å; F480-Y504 PolarHBondContact O-N 3.04Å; F480-F513 HydrophobicContact CB-CE1 4.42Å; F480-F513 HydrophobicContact CD1-CE1 4.15Å; F480-F513 HydrophobicContact CD1-CZ 4.26Å; F480-F513 HydrophobicContact CG-CE1 4.12Å
481	E	98.6	Very high	98	Very high	21 Å²	21	31.6 Å²	31.6	10%	0.098	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	139.6	174.6	-170.9	171.3	141.8	0	0	112.1	V455 V457 F458 T459 A478 Y504 H506	V455-E481 HydrophobicContact CG1-CB 3.82Å; V455-E481 HydrophobicContact CG2-CB 4.39Å; V457-E481 PolarHBondContact O-N 2.87Å; F458-E481 HydrophobicContact CD2-CB 3.69Å; F458-E481 HydrophobicContact CD2-CG 3.72Å; F458-E481 HydrophobicContact CE2-CB 4.3Å; F458-E481 HydrophobicContact CE2-CG 3.8Å; F458-E481 WeakPolarHBondContact CE2-OE1 3.4Å; F458-E481 HydrophobicContact CG-CB 4.48Å; T459-E481 PolarHBondContact N-O 3.19Å; T459-E481 PolarHBondContact OG1-O 3.22Å; T459-E481 VanDerWaalsContact OG1-O 3.13Å; A478-E481 HydrophobicContact CB-CB 4.49Å; E481-Y504 CarbonylContact C-O 3.58Å; E481-Y504 WeakPolarHBondContact CA-O 3.39Å; E481-Y504 HydrophobicContact CG-CD1 3.85Å; E481-Y504 HydrophobicContact CG-CG 4.42Å; E481-Y504 WeakPolarHBondContact OE2-CD1 3.44Å; E481-H506 IonicContact OE1-CD2 2.79Å; E481-H506 IonicContact OE1-CE1 2.71Å; E481-H506 IonicContact OE1-NE2 2.72Å; E481-H506 PolarHBondContact OE1-NE2 2.9Å
482	V	98.7	Very high	98	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	123	-179.4	-170.7	0	0	0	0	109.8	T459 F480 A486 P488 Y504 V505 H506 F513	T459-V482 CarbonylContact O-C 3.55Å; T459-V482 WeakPolarHBondContact O-CA 3.26Å; F480-V482 HydrophobicContact CD1-CG2 3.84Å; F480-V482 HydrophobicContact CE1-CG2 3.87Å; V482-A486 HydrophobicContact CG1-CB 3.85Å; V482-A486 VanDerWaalsContact CG1-O 3.26Å; V482-A486 WeakPolarHBondContact CG1-O 3.3Å; V482-P488 HydrophobicContact CG1-CG 4.32Å; V482-P488 HydrophobicContact CG2-CG 3.8Å; V482-Y504 PolarHBondContact N-O 2.94Å; V482-V505 HydrophobicContact CB-CG1 4.15Å; V482-V505 HydrophobicContact CB-CG2 4.41Å; V482-V505 HydrophobicContact CG1-CG1 4.47Å; V482-V505 HydrophobicContact CG2-CG2 4.49Å; V482-V505 WeakPolarHBondContact O-CA 3.42Å; V482-H506 PolarHBondContact O-N 2.82Å; V482-F513 HydrophobicContact CG2-CE2 4.36Å; V482-F513 HydrophobicContact CG2-CZ 3.75Å
483	K	98.1	Very high	98	Very high	47 Å²	47	34.5 Å²	34.5	20%	0.204	15%	0.15	C	C	.	.			trans	-144.7	177.1	175	90.3	176.1	-164.6	126.5	0	115	F458 T459 F460 Y485 A486 H506 E507	F458-K483 HydrophobicContact CE2-CB 4.49Å; F458-K483 HydrophobicContact CE2-CD 4.03Å; F458-K483 HydrophobicContact CE2-CG 3.89Å; F458-K483 HydrophobicContact CZ-CD 3.85Å; F458-K483 HydrophobicContact CZ-CG 4.04Å; T459-K483 PolarHBondContact O-N 2.94Å; F460-K483 WeakPolarHBondContact CA-O 3.37Å; F460-K483 HydrophobicContact CB-CG 3.83Å; K483-Y485 PolarHBondContact O-N 3.39Å; K483-A486 WeakPolarHBondContact O-CB 3.47Å; K483-A486 PolarHBondContact O-N 3.02Å; K483-H506 VanDerWaalsContact CA-O 3.24Å; K483-H506 WeakPolarHBondContact CA-O 3.21Å; K483-H506 WeakPolarHBondContact CB-O 3.4Å; K483-H506 WeakPolarHBondContact CD-CE1 3.34Å; K483-E507 HydrophobicContact CB-CB 4.22Å; K483-E507 IonicContact NZ-OE1 3.26Å; K483-E507 PolarHBondContact NZ-OE1 3.07Å; K483-E507 IonicContact NZ-OE2 2.73Å; K483-E507 PolarHBondContact NZ-OE2 2.77Å
484	A	97.6	Very high	98.1	Very high	14 Å²	14	36.4 Å²	36.4	12%	0.116	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	55.9	171.7	0	0	0	0	0	113.5	D461 H462 A486 E507	D461-A484 PolarHBondContact N-O 2.91Å; D461-A484 WeakPolarHBondContact OD1-CB 3.4Å; H462-A484 PolarHBondContact N-O 3.32Å; A484-A486 PolarHBondContact O-N 3.17Å; A484-A486 VanDerWaalsContact O-N 3.11Å; A484-E507 WeakPolarHBondContact CA-O 3.32Å; A484-E507 PolarHBondContact N-O 3.44Å
485	Y	98.2	Very high	98.1	Very high	104 Å²	104	30.6 Å²	30.6	41%	0.408	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	8.1	-179.1	-46.8	-82.2	0	0	0	116.7	H462 K483 K508	H462-Y485 AromaticContact NE2-CD2 3.72Å; H462-Y485 AromaticContact NE2-CG 3.97Å; K483-Y485 PolarHBondContact O-N 3.39Å; Y485-K508 HydrophobicContact CD1-CB 3.95Å; Y485-K508 HydrophobicContact CD1-CD 4.44Å; Y485-K508 HydrophobicContact CE1-CB 3.81Å; Y485-K508 HydrophobicContact CE1-CD 3.49Å; Y485-K508 VanDerWaalsContact CE1-CD 3.49Å; Y485-K508 HydrophobicContact CE1-CG 4.31Å; Y485-K508 WeakPolarHBondContact OH-CD 3.34Å; Y485-K508 PolarHBondContact OH-NZ 3.41Å; Y485-K508 VanDerWaalsContact OH-NZ 3.12Å
486	A	98.6	Very high	98.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.14	C	C	.	.			trans	-58.5	147.1	171.1	0	0	0	0	0	111.9	T459 G463 V482 K483 A484 R510	T459-A486 WeakPolarHBondContact O-CB 3.32Å; G463-A486 CarbonylContact O-C 3.59Å; G463-A486 WeakPolarHBondContact O-CA 3.39Å; G463-A486 VanDerWaalsContact O-CB 3.27Å; G463-A486 WeakPolarHBondContact O-CB 3.22Å; V482-A486 HydrophobicContact CG1-CB 3.85Å; V482-A486 VanDerWaalsContact CG1-O 3.26Å; V482-A486 WeakPolarHBondContact CG1-O 3.3Å; K483-A486 WeakPolarHBondContact O-CB 3.47Å; K483-A486 PolarHBondContact O-N 3.02Å; A484-A486 PolarHBondContact O-N 3.17Å; A484-A486 VanDerWaalsContact O-N 3.11Å; A486-R510 PolarHBondContact O-N 2.73Å
487	N	98.6	Very high	98.2	Very high	43 Å²	43	28 Å²	28	23%	0.23	13%	0.131	C	C	.	.			trans	-146.8	62.8	-171.7	-173.8	65.8	0	0	0	112.6	G463 M464 R510 G511	G463-N487 PolarHBondContact O-N 3.39Å; M464-N487 HydrophobicContact CE-CB 4.29Å; M464-N487 VanDerWaalsContact CE-O 3.24Å; M464-N487 WeakPolarHBondContact CE-O 3.43Å; M464-N487 HydrophobicContact SD-CB 3.9Å; N487-R510 HydrophobicContact CB-CB 4.09Å; N487-R510 WeakPolarHBondContact OD1-CB 3.26Å; N487-G511 PolarHBondContact OD1-N 3.25Å
488	P	98.7	Very high	98	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.117	C	C	.	.			trans	-69.1	159.3	176.6	32.1	-37.9	0	0	0	112.1	T459 G465 F467 F480 V482 V490 G511 Q512	T459-P488 HydrophobicContact CG2-CB 4.22Å; T459-P488 HydrophobicContact CG2-CG 4.21Å; G465-P488 WeakPolarHBondContact O-CA 3.5Å; F467-P488 HydrophobicContact CD2-CB 4.34Å; F467-P488 HydrophobicContact CE2-CB 4.09Å; F480-P488 HydrophobicContact CE1-CB 4.23Å; F480-P488 HydrophobicContact CE1-CG 3.72Å; F480-P488 HydrophobicContact CZ-CB 3.99Å; F480-P488 HydrophobicContact CZ-CG 3.99Å; V482-P488 HydrophobicContact CG1-CG 4.32Å; V482-P488 HydrophobicContact CG2-CG 3.8Å; P488-V490 HydrophobicContact CB-CG2 4.39Å; P488-G511 CarbonylContact O-C 3.6Å; P488-G511 WeakPolarHBondContact O-CA 3.34Å; P488-Q512 PolarHBondContact O-N 2.87Å
489	T	98.9	Very high	97.8	Very high	32 Å²	32	30 Å²	30	20%	0.196	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	121.8	171.2	-58.5	0	0	0	0	108.8	G465 Y466 F467 V491 Q512	G465-T489 PolarHBondContact O-N 3.17Å; Y466-T489 CarbonylContact C-O 3.58Å; Y466-T489 WeakPolarHBondContact CA-O 3.32Å; Y466-T489 HydrophobicContact CD2-CG2 3.82Å; Y466-T489 HydrophobicContact CE2-CG2 3.88Å; F467-T489 PolarHBondContact N-O 3.04Å; T489-V491 HydrophobicContact CG2-CG2 3.78Å; T489-Q512 HydrophobicContact CG2-CB 4.38Å
490	V	98.9	Very high	97.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	113.4	-170.5	-171.3	0	0	0	0	109.2	F467 F480 P488 C493 Q512 F513 I514 N516	F467-V490 HydrophobicContact CB-CB 4.43Å; F467-V490 HydrophobicContact CB-CG1 4.17Å; F467-V490 HydrophobicContact CB-CG2 4.27Å; F467-V490 HydrophobicContact CD2-CG2 4.22Å; F467-V490 HydrophobicContact CG-CG2 4.48Å; F467-V490 WeakPolarHBondContact O-CA 3.3Å; F480-V490 HydrophobicContact CD2-CG1 4.31Å; F480-V490 HydrophobicContact CD2-CG2 4.02Å; F480-V490 HydrophobicContact CE1-CG2 4.33Å; F480-V490 HydrophobicContact CE2-CG1 4.27Å; F480-V490 HydrophobicContact CE2-CG2 3.47Å; F480-V490 VanDerWaalsContact CE2-CG2 3.47Å; F480-V490 HydrophobicContact CZ-CG2 3.66Å; P488-V490 HydrophobicContact CB-CG2 4.39Å; V490-C493 HydrophobicContact CG1-CB 4.09Å; V490-Q512 PolarHBondContact N-O 2.94Å; V490-F513 HydrophobicContact CB-CD1 3.73Å; V490-F513 HydrophobicContact CB-CE1 4.02Å; V490-F513 HydrophobicContact CG1-CD1 4.2Å; V490-F513 HydrophobicContact CG1-CE1 4.48Å; V490-F513 HydrophobicContact CG2-CD1 3.91Å; V490-F513 HydrophobicContact CG2-CE1 3.67Å; V490-F513 HydrophobicContact CG2-CZ 4.44Å; V490-F513 WeakPolarHBondContact O-CA 3.27Å; V490-I514 PolarHBondContact O-N 3.08Å; V490-N516 PolarHBondContact O-ND2 3.27Å
491	V	98.9	Very high	97.4	Very high	8 Å²	8	31.1 Å²	31.1	5%	0.048	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	125.7	-163.4	-169.3	0	0	0	0	111.5	Y466 F467 E468 S469 T489 C493 I514	Y466-V491 HydrophobicContact CE2-CG2 3.88Å; F467-V491 PolarHBondContact O-N 2.89Å; E468-V491 WeakPolarHBondContact CA-O 3.48Å; S469-V491 PolarHBondContact N-O 2.9Å; S469-V491 VanDerWaalsContact N-O 3.1Å; T489-V491 HydrophobicContact CG2-CG2 3.78Å; V491-C493 PolarHBondContact O-N 3.48Å; V491-I514 VanDerWaalsContact CA-O 3.28Å; V491-I514 WeakPolarHBondContact CA-O 3.28Å; V491-I514 HydrophobicContact CG1-CG2 4.45Å; V491-I514 HydrophobicContact CG2-CB 4.46Å
492	R	98.8	Very high	97.3	Very high	106 Å²	106	30.1 Å²	30.1	40%	0.4	14%	0.141	S	C	.	.	S	Bend	trans	56	21.9	176.4	-65.4	174.9	-69.4	-90	4.1	114.8	E468 I514 E515 N516	E468-R492 IonicContact OE1-CZ 3.85Å; E468-R492 IonicContact OE1-NH2 2.89Å; E468-R492 PolarHBondContact OE1-NH2 3.17Å; R492-I514 PolarHBondContact N-O 2.88Å; R492-E515 WeakPolarHBondContact CA-O 3.38Å; R492-E515 HydrophobicContact CG-CB 3.72Å; R492-E515 IonicContact CZ-OE2 2.69Å; R492-E515 IonicContact NH1-OE2 2.75Å; R492-E515 PolarHBondContact NH1-OE2 3.45Å; R492-N516 PolarHBondContact N-OD1 3.01Å
493	C	98.9	Very high	97.3	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.007	14%	0.141	C	C	.	.			trans	-79.1	159.9	174.7	-62.3	0	0	0	0	111.4	C470 V490 V491 I495 N516 K517	C470-C493 PolarHBondContact N-SG 3.44Å; C470-C493 VanDerWaalsContact N-SG 3.43Å; C470-C493 CarbonylContact O-C 3.39Å; C470-C493 VanDerWaalsContact O-CA 3.23Å; C470-C493 WeakPolarHBondContact O-CA 2.99Å; C470-C493 VanDerWaalsContact O-CB 3.28Å; C470-C493 WeakPolarHBondContact O-CB 3.1Å; V490-C493 HydrophobicContact CG1-CB 4.09Å; V491-C493 PolarHBondContact O-N 3.48Å; C493-I495 HydrophobicContact CB-CG1 4.45Å; C493-N516 WeakPolarHBondContact CB-OD1 3.42Å; C493-N516 PolarHBondContact N-OD1 2.98Å; C493-N516 VanDerWaalsContact O-CA 3.28Å; C493-N516 WeakPolarHBondContact O-CA 3.3Å; C493-N516 WeakPolarHBondContact O-CB 3.26Å; C493-K517 PolarHBondContact O-N 2.9Å
494	E	98.8	Very high	97.3	Very high	55 Å²	55	30.5 Å²	30.5	26%	0.257	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.2	170.9	-54.5	-162.7	171.6	0	0	109	C470 I472 K517	C470-E494 PolarHBondContact O-N 3.26Å; I472-E494 PolarHBondContact N-O 3.37Å; E494-K517 WeakPolarHBondContact CA-O 3.41Å; E494-K517 HydrophobicContact CG-CB 4.3Å; E494-K517 HydrophobicContact CG-CD 4.21Å; E494-K517 WeakPolarHBondContact OE1-CD 3.47Å; E494-K517 WeakPolarHBondContact OE1-CE 3.38Å; E494-K517 IonicContact OE1-NZ 3.84Å; E494-K517 PolarHBondContact OE1-NZ 2.86Å
495	I	98.6	Very high	97.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	92.5	-171.5	-52.4	179.7	0	0	0	108.7	I472 F480 C493 G502 I503 K517 I518 Y519 N521	I472-I495 HydrophobicContact CD1-CG1 4.45Å; I472-I495 WeakPolarHBondContact O-CA 3.28Å; F480-I495 HydrophobicContact CB-CD1 4.43Å; C493-I495 HydrophobicContact CB-CG1 4.45Å; I495-G502 WeakPolarHBondContact CG2-O 3.12Å; I495-I503 HydrophobicContact CD1-CD1 4.04Å; I495-I503 HydrophobicContact CD1-CG1 3.86Å; I495-K517 PolarHBondContact N-O 3.24Å; I495-I518 HydrophobicContact CB-CG1 4.38Å; I495-I518 WeakPolarHBondContact O-CA 3.27Å; I495-Y519 PolarHBondContact O-N 3.14Å; I495-N521 PolarHBondContact O-ND2 2.93Å
496	H	98.1	Very high	97.4	Very high	16 Å²	16	25.6 Å²	25.6	7%	0.074	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	159.9	-160.8	70.6	49.5	0	0	0	115.8	N471 I472 H473 R474 G498 Y519 N521	N471-H496 PolarHBondContact OD1-NE2 3.02Å; I472-H496 PolarHBondContact O-N 2.88Å; H473-H496 WeakPolarHBondContact CA-O 3.37Å; H473-H496 WeakPolarHBondContact CB-CE1 3.41Å; H473-H496 WeakPolarHBondContact CB-ND1 3.11Å; H473-H496 WeakPolarHBondContact CB-O 3.24Å; H473-H496 AromaticContact CD2-CE1 3.89Å; H473-H496 AromaticContact CG-CE1 3.42Å; H473-H496 VanDerWaalsContact CG-CE1 3.42Å; H473-H496 AromaticContact CG-ND1 3.83Å; H473-H496 AromaticContact ND1-CE1 3.8Å; R474-H496 PolarHBondContact N-O 3.31Å; H496-G498 PolarHBondContact O-N 3.3Å; H496-G498 VanDerWaalsContact O-N 3.07Å; H496-Y519 WeakPolarHBondContact CA-O 3.13Å; H496-Y519 HydrophobicContact CB-CD1 3.81Å; H496-Y519 HydrophobicContact CB-CD2 3.95Å; H496-Y519 HydrophobicContact CB-CE1 3.67Å; H496-Y519 HydrophobicContact CB-CE2 3.81Å; H496-Y519 HydrophobicContact CB-CG 3.97Å; H496-Y519 VanDerWaalsContact CB-O 3.25Å; H496-Y519 WeakPolarHBondContact CB-O 3.48Å; H496-Y519 AromaticContact CD2-CE1 3.64Å; H496-Y519 AromaticContact CD2-CZ 3.33Å; H496-Y519 PolarHBondContact CD2-OH 2.8Å; H496-Y519 AromaticContact CG-CZ 3.71Å; H496-N521 WeakPolarHBondContact CA-OD1 3.11Å
497	H	96.4	Very high	97.4	Very high	78 Å²	78	29.8 Å²	29.8	36%	0.361	14%	0.139	S	C	.	.	S	Bend	trans	55.5	23.8	174.8	-60.6	84.8	0	0	0	114.8	R474 Y519 A520 N521	R474-H497 VanDerWaalsContact CA-O 3.32Å; R474-H497 WeakPolarHBondContact CA-O 3.41Å; R474-H497 HydrophobicContact CG-CB 3.99Å; R474-H497 PolarHBondContact N-O 2.81Å; H497-Y519 AromaticContact CE1-CE2 3.91Å; H497-Y519 PolarHBondContact N-O 2.84Å; H497-A520 WeakPolarHBondContact CA-O 3.44Å; H497-N521 PolarHBondContact N-OD1 2.81Å; H497-N521 VanDerWaalsContact N-OD1 3.17Å
498	G	92.8	Very high	97.3	Very high	2 Å²	2	32 Å²	32	2%	0.021	15%	0.147	C	C	.	.			trans	-74.5	148.8	175.5	0	0	0	0	0	112.4	H496 T500 N521 N522	H496-G498 PolarHBondContact O-N 3.3Å; H496-G498 VanDerWaalsContact O-N 3.07Å; G498-T500 VanDerWaalsContact C-N 3.33Å; G498-T500 PolarHBondContact O-N 3.16Å; G498-N521 PolarHBondContact N-OD1 3.2Å; G498-N522 PolarHBondContact O-N 3.48Å
499	Q	92.9	Very high	97.3	Very high	99 Å²	99	32 Å²	32	46%	0.463	15%	0.147	S	C	.	.	S	Bend	trans	-77.9	-15.2	-177.8	-62.3	180	31	0	0	113.7	N475 R476 N522	N475-Q499 PolarHBondContact O-N 3.09Å; R476-Q499 WeakPolarHBondContact O-CB 3.26Å; Q499-N522 VanDerWaalsContact O-CB 3.28Å; Q499-N522 WeakPolarHBondContact O-CB 3.41Å
500	T	94.3	Very high	97.3	Very high	28 Å²	28	36.5 Å²	36.5	17%	0.172	16%	0.16	C	C	.	.	S	Bend	trans	-116.1	-128.5	164.7	73.8	0	0	0	0	111.9	I477 A478 G498 N522 F523	I477-T500 PolarHBondContact O-OG1 3.42Å; A478-T500 PolarHBondContact N-OG1 3.37Å; G498-T500 VanDerWaalsContact C-N 3.33Å; G498-T500 PolarHBondContact O-N 3.16Å; T500-N522 PolarHBondContact O-N 3.29Å; T500-F523 PolarHBondContact O-N 3.06Å
501	G	91.9	Very high	97.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	16%	0.161	C	C	.	.			trans	-86.1	159.5	-178.7	0	0	0	0	0	112.7	A478 G479 A524	A478-G501 VanDerWaalsContact CA-O 3.28Å; A478-G501 WeakPolarHBondContact CA-O 3.36Å; G479-G501 PolarHBondContact N-O 3.1Å; G501-A524 CarbonylContact C-O 3.59Å; G501-A524 WeakPolarHBondContact CA-O 3.29Å
502	G	97.1	Very high	97.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-67.4	-61.2	175.9	0	0	0	0	0	111.6	G479 F480 I495 N521 A524 G525	G479-G502 CarbonylContact C-O 3.57Å; G479-G502 VanDerWaalsContact CA-O 3.29Å; G479-G502 WeakPolarHBondContact CA-O 3.33Å; G479-G502 PolarHBondContact N-O 3.04Å; F480-G502 PolarHBondContact N-O 3.28Å; I495-G502 WeakPolarHBondContact CG2-O 3.12Å; G502-N521 WeakPolarHBondContact CA-ND2 3.22Å; G502-A524 PolarHBondContact N-O 2.75Å; G502-G525 CarbonylContact C-O 3.56Å; G502-G525 VanDerWaalsContact CA-O 3.24Å; G502-G525 WeakPolarHBondContact CA-O 3.33Å; G502-G525 PolarHBondContact N-O 3.28Å
503	I	98.6	Very high	97.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.2	175.8	-65	156.8	0	0	0	109.2	F480 I495 V505 F513 I518 G525 V526 W527	F480-I503 HydrophobicContact CB-CG1 4.24Å; F480-I503 CarbonylContact O-C 3.53Å; F480-I503 VanDerWaalsContact O-CA 3.32Å; F480-I503 WeakPolarHBondContact O-CA 3.48Å; I495-I503 HydrophobicContact CD1-CD1 4.04Å; I495-I503 HydrophobicContact CD1-CG1 3.86Å; I503-V505 HydrophobicContact CG2-CG2 3.89Å; I503-F513 HydrophobicContact CB-CE1 4.42Å; I503-F513 HydrophobicContact CD1-CB 4.18Å; I503-F513 HydrophobicContact CD1-CD1 3.34Å; I503-F513 HydrophobicContact CD1-CE1 3.81Å; I503-F513 HydrophobicContact CD1-CG 3.8Å; I503-F513 HydrophobicContact CG1-CD1 3.93Å; I503-F513 HydrophobicContact CG1-CE1 3.84Å; I503-F513 HydrophobicContact CG2-CD1 4.19Å; I503-F513 HydrophobicContact CG2-CD2 4.36Å; I503-F513 HydrophobicContact CG2-CE1 3.66Å; I503-F513 HydrophobicContact CG2-CE2 3.86Å; I503-F513 HydrophobicContact CG2-CZ 3.47Å; I503-F513 VanDerWaalsContact CG2-CZ 3.47Å; I503-I518 HydrophobicContact CD1-CD1 3.56Å; I503-I518 HydrophobicContact CD1-CG1 4.09Å; I503-G525 PolarHBondContact N-O 2.86Å; I503-V526 HydrophobicContact CB-CG1 4.29Å; I503-V526 HydrophobicContact CB-CG2 4.31Å; I503-V526 HydrophobicContact CD1-CG2 4.13Å; I503-V526 HydrophobicContact CG2-CG1 4.29Å; I503-V526 CarbonylContact O-C 3.59Å; I503-V526 WeakPolarHBondContact O-CA 3.39Å; I503-W527 PolarHBondContact O-N 3.5Å
504	Y	98.4	Very high	97.2	Very high	54 Å²	54	35.5 Å²	35.5	21%	0.212	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	116.2	175.7	-179	-147.3	0	0	0	111.4	F480 E481 V482 H506 W527 T529	F480-Y504 PolarHBondContact O-N 3.04Å; E481-Y504 CarbonylContact C-O 3.58Å; E481-Y504 WeakPolarHBondContact CA-O 3.39Å; E481-Y504 HydrophobicContact CG-CD1 3.85Å; E481-Y504 HydrophobicContact CG-CG 4.42Å; E481-Y504 WeakPolarHBondContact OE2-CD1 3.44Å; V482-Y504 PolarHBondContact N-O 2.94Å; Y504-H506 AromaticContact CD1-CD2 3.66Å; Y504-H506 AromaticContact CD1-NE2 4Å; Y504-H506 HydrophobicContact CD2-CB 4.46Å; Y504-H506 HydrophobicContact CE1-CB 4.49Å; Y504-H506 AromaticContact CE1-CD2 3.29Å; Y504-H506 WeakPolarHBondContact CE1-CD2 3.49Å; Y504-H506 AromaticContact CE1-CG 3.88Å; Y504-H506 AromaticContact CE1-NE2 3.49Å; Y504-H506 WeakPolarHBondContact CE1-NE2 3.41Å; Y504-H506 HydrophobicContact CE2-CB 3.78Å; Y504-H506 AromaticContact CE2-CD2 3.99Å; Y504-H506 AromaticContact CZ-CD2 3.47Å; Y504-H506 VanDerWaalsContact CZ-CD2 3.47Å; Y504-H506 AromaticContact CZ-CG 3.59Å; Y504-W527 HydrophobicContact CD2-CB 3.57Å; Y504-W527 HydrophobicContact CD2-CD2 4.46Å; Y504-W527 AromaticContact CD2-CE3 3.96Å; Y504-W527 HydrophobicContact CD2-CE3 3.96Å; Y504-W527 HydrophobicContact CD2-CG 4.39Å; Y504-W527 HydrophobicContact CE2-CB 4.27Å; Y504-W527 HydrophobicContact CE2-CE3 4.4Å; Y504-W527 HydrophobicContact CG-CB 4.44Å; Y504-W527 HydrophobicContact CG-CE3 4.12Å; Y504-T529 HydrophobicContact CE2-CG2 3.78Å
505	V	98.8	Very high	97.2	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	114.8	179.8	-165.8	0	0	0	0	109.7	V482 I503 G509 R510 F513 W527 I528 T529 S532 P534	V482-V505 HydrophobicContact CB-CG1 4.15Å; V482-V505 HydrophobicContact CB-CG2 4.41Å; V482-V505 HydrophobicContact CG1-CG1 4.47Å; V482-V505 HydrophobicContact CG2-CG2 4.49Å; V482-V505 WeakPolarHBondContact O-CA 3.42Å; I503-V505 HydrophobicContact CG2-CG2 3.89Å; V505-G509 VanDerWaalsContact CG1-C 3.42Å; V505-G509 WeakPolarHBondContact CG1-O 3.38Å; V505-R510 WeakPolarHBondContact CG1-O 3.36Å; V505-F513 HydrophobicContact CG2-CE2 4.08Å; V505-W527 PolarHBondContact N-O 3.01Å; V505-I528 WeakPolarHBondContact O-CA 3.26Å; V505-T529 PolarHBondContact O-N 3.22Å; V505-S532 PolarHBondContact O-OG 2.86Å; V505-P534 HydrophobicContact CB-CG 4.27Å; V505-P534 HydrophobicContact CG1-CB 4.22Å; V505-P534 HydrophobicContact CG1-CG 4.24Å; V505-P534 HydrophobicContact CG2-CB 4.1Å; V505-P534 HydrophobicContact CG2-CG 4.1Å
506	H	98.4	Very high	97.2	Very high	16 Å²	16	37.1 Å²	37.1	7%	0.074	17%	0.168	C	C	.	.			trans	-142.9	179.4	-176.6	73.4	109.8	0	0	0	113.3	E481 V482 K483 Y504 K508 G509 T529 S532	E481-H506 IonicContact OE1-CD2 2.79Å; E481-H506 IonicContact OE1-CE1 2.71Å; E481-H506 IonicContact OE1-NE2 2.72Å; E481-H506 PolarHBondContact OE1-NE2 2.9Å; V482-H506 PolarHBondContact O-N 2.82Å; K483-H506 VanDerWaalsContact CA-O 3.24Å; K483-H506 WeakPolarHBondContact CA-O 3.21Å; K483-H506 WeakPolarHBondContact CB-O 3.4Å; K483-H506 WeakPolarHBondContact CD-CE1 3.34Å; Y504-H506 AromaticContact CD1-CD2 3.66Å; Y504-H506 AromaticContact CD1-NE2 4Å; Y504-H506 HydrophobicContact CD2-CB 4.46Å; Y504-H506 HydrophobicContact CE1-CB 4.49Å; Y504-H506 AromaticContact CE1-CD2 3.29Å; Y504-H506 WeakPolarHBondContact CE1-CD2 3.49Å; Y504-H506 AromaticContact CE1-CG 3.88Å; Y504-H506 AromaticContact CE1-NE2 3.49Å; Y504-H506 WeakPolarHBondContact CE1-NE2 3.41Å; Y504-H506 HydrophobicContact CE2-CB 3.78Å; Y504-H506 AromaticContact CE2-CD2 3.99Å; Y504-H506 AromaticContact CZ-CD2 3.47Å; Y504-H506 VanDerWaalsContact CZ-CD2 3.47Å; Y504-H506 AromaticContact CZ-CG 3.59Å; H506-K508 PolarHBondContact O-N 2.77Å; H506-G509 WeakPolarHBondContact O-CA 3.14Å; H506-G509 PolarHBondContact O-N 3.39Å; H506-T529 HydrophobicContact CB-CG2 3.56Å; H506-S532 WeakPolarHBondContact CA-OG 3.5Å; H506-S532 PolarHBondContact N-OG 3.34Å; H506-S532 PolarHBondContact O-OG 2.99Å
507	E	98	Very high	97.2	Very high	87 Å²	87	40.9 Å²	40.9	41%	0.407	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	39.5	55	-175	-63.1	171	-148.8	0	0	114.7	K483 A484 G509	K483-E507 HydrophobicContact CB-CB 4.22Å; K483-E507 IonicContact NZ-OE1 3.26Å; K483-E507 PolarHBondContact NZ-OE1 3.07Å; K483-E507 IonicContact NZ-OE2 2.73Å; K483-E507 PolarHBondContact NZ-OE2 2.77Å; A484-E507 WeakPolarHBondContact CA-O 3.32Å; A484-E507 PolarHBondContact N-O 3.44Å; E507-G509 PolarHBondContact O-N 2.68Å
508	K	98.3	Very high	97.4	Very high	90 Å²	90	37.2 Å²	37.2	39%	0.391	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	24.1	-177	-53.4	166.7	-177.4	167.8	0	114.6	Y485 H506 S530 N531 S532	Y485-K508 HydrophobicContact CD1-CB 3.95Å; Y485-K508 HydrophobicContact CD1-CD 4.44Å; Y485-K508 HydrophobicContact CE1-CB 3.81Å; Y485-K508 HydrophobicContact CE1-CD 3.49Å; Y485-K508 VanDerWaalsContact CE1-CD 3.49Å; Y485-K508 HydrophobicContact CE1-CG 4.31Å; Y485-K508 WeakPolarHBondContact OH-CD 3.34Å; Y485-K508 PolarHBondContact OH-NZ 3.41Å; Y485-K508 VanDerWaalsContact OH-NZ 3.12Å; H506-K508 PolarHBondContact O-N 2.77Å; K508-S530 PolarHBondContact N-O 2.98Å; K508-N531 HydrophobicContact CG-CB 3.98Å; K508-S532 PolarHBondContact N-OG 3.21Å
509	G	98.4	Very high	97.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.175	C	C	.	.			trans	-58.8	157.4	168.2	0	0	0	0	0	111.6	V505 H506 E507 S532 D533	V505-G509 VanDerWaalsContact CG1-C 3.42Å; V505-G509 WeakPolarHBondContact CG1-O 3.38Å; H506-G509 WeakPolarHBondContact O-CA 3.14Å; H506-G509 PolarHBondContact O-N 3.39Å; E507-G509 PolarHBondContact O-N 2.68Å; G509-S532 PolarHBondContact N-OG 3.19Å; G509-S532 WeakPolarHBondContact O-CA 3.49Å; G509-S532 VanDerWaalsContact O-CB 3.26Å; G509-S532 WeakPolarHBondContact O-CB 3.25Å; G509-D533 PolarHBondContact O-N 3.4Å
510	R	97.3	Very high	97.8	Very high	126 Å²	126	36 Å²	36	48%	0.475	16%	0.164	S	C	.	.			trans	-128	-126.4	177.3	-65.6	177.3	167.6	159.4	-4	108.8	A486 N487 V505	A486-R510 PolarHBondContact O-N 2.73Å; N487-R510 HydrophobicContact CB-CB 4.09Å; N487-R510 WeakPolarHBondContact OD1-CB 3.26Å; V505-R510 WeakPolarHBondContact CG1-O 3.36Å
511	G	97.6	Very high	97.8	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.01	16%	0.157	C	C	.	.			trans	99.8	154.2	-178.7	0	0	0	0	0	113.1	N487 P488 P534 T535	N487-G511 PolarHBondContact OD1-N 3.25Å; P488-G511 CarbonylContact O-C 3.6Å; P488-G511 WeakPolarHBondContact O-CA 3.34Å; G511-P534 WeakPolarHBondContact O-CA 3.41Å; G511-T535 PolarHBondContact O-N 3.04Å
512	Q	98.8	Very high	98	Very high	78 Å²	78	38.4 Å²	38.4	36%	0.364	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	110.8	178.2	-61	-173.8	12.5	0	0	109.1	P488 T489 V490 I514	P488-Q512 PolarHBondContact O-N 2.87Å; T489-Q512 HydrophobicContact CG2-CB 4.38Å; V490-Q512 PolarHBondContact N-O 2.94Å; Q512-I514 HydrophobicContact CB-CD1 4.07Å; Q512-I514 HydrophobicContact CB-CG1 4.46Å
513	F	98.9	Very high	97.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	104.5	179.3	-60.4	-89.3	0	0	0	108	F480 V482 V490 I503 V505 T535 I536 R537 N539	F480-F513 HydrophobicContact CB-CE1 4.42Å; F480-F513 HydrophobicContact CD1-CE1 4.15Å; F480-F513 HydrophobicContact CD1-CZ 4.26Å; F480-F513 HydrophobicContact CG-CE1 4.12Å; V482-F513 HydrophobicContact CG2-CE2 4.36Å; V482-F513 HydrophobicContact CG2-CZ 3.75Å; V490-F513 HydrophobicContact CB-CD1 3.73Å; V490-F513 HydrophobicContact CB-CE1 4.02Å; V490-F513 HydrophobicContact CG1-CD1 4.2Å; V490-F513 HydrophobicContact CG1-CE1 4.48Å; V490-F513 HydrophobicContact CG2-CD1 3.91Å; V490-F513 HydrophobicContact CG2-CE1 3.67Å; V490-F513 HydrophobicContact CG2-CZ 4.44Å; V490-F513 WeakPolarHBondContact O-CA 3.27Å; I503-F513 HydrophobicContact CB-CE1 4.42Å; I503-F513 HydrophobicContact CD1-CB 4.18Å; I503-F513 HydrophobicContact CD1-CD1 3.34Å; I503-F513 HydrophobicContact CD1-CE1 3.81Å; I503-F513 HydrophobicContact CD1-CG 3.8Å; I503-F513 HydrophobicContact CG1-CD1 3.93Å; I503-F513 HydrophobicContact CG1-CE1 3.84Å; I503-F513 HydrophobicContact CG2-CD1 4.19Å; I503-F513 HydrophobicContact CG2-CD2 4.36Å; I503-F513 HydrophobicContact CG2-CE1 3.66Å; I503-F513 HydrophobicContact CG2-CE2 3.86Å; I503-F513 HydrophobicContact CG2-CZ 3.47Å; I503-F513 VanDerWaalsContact CG2-CZ 3.47Å; V505-F513 HydrophobicContact CG2-CE2 4.08Å; F513-T535 PolarHBondContact N-O 3.48Å; F513-I536 HydrophobicContact CB-CD1 3.96Å; F513-I536 HydrophobicContact CD2-CD1 3.65Å; F513-I536 HydrophobicContact CG-CD1 4.09Å; F513-R537 PolarHBondContact O-N 3.15Å; F513-N539 PolarHBondContact O-ND2 3.25Å; F513-N539 PolarHBondContact O-OD1 3.2Å
514	I	98.9	Very high	97.8	Very high	16 Å²	16	42.2 Å²	42.2	8%	0.082	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	131.7	-168.8	-63.4	164.8	0	0	0	110.5	V490 V491 R492 Q512 N516 R537	V490-I514 PolarHBondContact O-N 3.08Å; V491-I514 VanDerWaalsContact CA-O 3.28Å; V491-I514 WeakPolarHBondContact CA-O 3.28Å; V491-I514 HydrophobicContact CG1-CG2 4.45Å; V491-I514 HydrophobicContact CG2-CB 4.46Å; R492-I514 PolarHBondContact N-O 2.88Å; Q512-I514 HydrophobicContact CB-CD1 4.07Å; Q512-I514 HydrophobicContact CB-CG1 4.46Å; I514-N516 PolarHBondContact N-ND2 2.9Å; I514-N516 PolarHBondContact O-N 2.98Å; I514-N516 PolarHBondContact O-ND2 3.38Å; I514-N516 VanDerWaalsContact O-ND2 3.09Å; I514-R537 VanDerWaalsContact CA-O 3.3Å; I514-R537 WeakPolarHBondContact CA-O 3.34Å
515	E	98.8	Very high	97.7	Very high	87 Å²	87	39.8 Å²	39.8	41%	0.407	18%	0.184	S	C	.	.	S	Bend	trans	58.8	18.7	170.5	-65.5	156.6	-150.1	0	0	115.4	R492 R537 G538 N539	R492-E515 WeakPolarHBondContact CA-O 3.38Å; R492-E515 HydrophobicContact CG-CB 3.72Å; R492-E515 IonicContact CZ-OE2 2.69Å; R492-E515 IonicContact NH1-OE2 2.75Å; R492-E515 PolarHBondContact NH1-OE2 3.45Å; E515-R537 PolarHBondContact N-O 3.01Å; E515-R537 VanDerWaalsContact N-O 3.15Å; E515-G538 WeakPolarHBondContact CA-O 3.44Å; E515-N539 PolarHBondContact N-OD1 3.37Å
516	N	98.9	Very high	97.7	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	18%	0.184	C	C	.	.			trans	-84.2	159.4	-177.4	-53.9	-76.6	0	0	0	112.6	V490 R492 C493 I514 I518 N539 S540	V490-N516 PolarHBondContact O-ND2 3.27Å; R492-N516 PolarHBondContact N-OD1 3.01Å; C493-N516 WeakPolarHBondContact CB-OD1 3.42Å; C493-N516 PolarHBondContact N-OD1 2.98Å; C493-N516 VanDerWaalsContact O-CA 3.28Å; C493-N516 WeakPolarHBondContact O-CA 3.3Å; C493-N516 WeakPolarHBondContact O-CB 3.26Å; I514-N516 PolarHBondContact N-ND2 2.9Å; I514-N516 PolarHBondContact O-N 2.98Å; I514-N516 PolarHBondContact O-ND2 3.38Å; I514-N516 VanDerWaalsContact O-ND2 3.09Å; N516-I518 HydrophobicContact CB-CD1 4.4Å; N516-I518 HydrophobicContact CB-CG1 4.35Å; N516-N539 VanDerWaalsContact CB-OD1 3.26Å; N516-N539 WeakPolarHBondContact CB-OD1 3.39Å; N516-N539 PolarHBondContact N-OD1 2.91Å; N516-N539 PolarHBondContact ND2-OD1 2.99Å; N516-N539 CarbonylContact O-C 3.53Å; N516-N539 VanDerWaalsContact O-CA 3.27Å; N516-N539 WeakPolarHBondContact O-CA 3.49Å; N516-N539 WeakPolarHBondContact O-CB 3.44Å; N516-S540 PolarHBondContact O-N 3Å
517	K	98.8	Very high	97.7	Very high	95 Å²	95	41 Å²	41	41%	0.413	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	124.4	166	-57	179.8	-163	159.1	0	109.7	C493 E494 I495 Y519	C493-K517 PolarHBondContact O-N 2.9Å; E494-K517 WeakPolarHBondContact CA-O 3.41Å; E494-K517 HydrophobicContact CG-CB 4.3Å; E494-K517 HydrophobicContact CG-CD 4.21Å; E494-K517 WeakPolarHBondContact OE1-CD 3.47Å; E494-K517 WeakPolarHBondContact OE1-CE 3.38Å; E494-K517 IonicContact OE1-NZ 3.84Å; E494-K517 PolarHBondContact OE1-NZ 2.86Å; I495-K517 PolarHBondContact N-O 3.24Å; K517-Y519 HydrophobicContact CB-CD1 4.04Å; K517-Y519 HydrophobicContact CB-CE1 4.12Å
518	I	98.8	Very high	97.7	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	104.8	-174.9	-59.7	150.3	0	0	0	108.1	I495 I503 N516 G525 V526 N539 S540 I541 F542	I495-I518 HydrophobicContact CB-CG1 4.38Å; I495-I518 WeakPolarHBondContact O-CA 3.27Å; I503-I518 HydrophobicContact CD1-CD1 3.56Å; I503-I518 HydrophobicContact CD1-CG1 4.09Å; N516-I518 HydrophobicContact CB-CD1 4.4Å; N516-I518 HydrophobicContact CB-CG1 4.35Å; I518-G525 VanDerWaalsContact CG2-O 3.32Å; I518-G525 WeakPolarHBondContact CG2-O 3.16Å; I518-V526 HydrophobicContact CD1-CG2 4.15Å; I518-N539 HydrophobicContact CD1-CB 4.14Å; I518-S540 PolarHBondContact N-O 2.92Å; I518-I541 HydrophobicContact CB-CG1 4.46Å; I518-I541 HydrophobicContact CB-CG2 4.41Å; I518-I541 HydrophobicContact CD1-CD1 4.4Å; I518-I541 HydrophobicContact CD1-CG1 4.07Å; I518-I541 HydrophobicContact CG2-CG2 4.38Å; I518-I541 CarbonylContact O-C 3.59Å; I518-I541 WeakPolarHBondContact O-CA 3.29Å; I518-F542 PolarHBondContact O-N 3.19Å
519	Y	98.2	Very high	97.7	Very high	47 Å²	47	32.8 Å²	32.8	18%	0.184	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	161.1	-166.8	68.1	-87.3	0	0	0	116.5	I495 H496 H497 K517 N521 F542	I495-Y519 PolarHBondContact O-N 3.14Å; H496-Y519 WeakPolarHBondContact CA-O 3.13Å; H496-Y519 HydrophobicContact CB-CD1 3.81Å; H496-Y519 HydrophobicContact CB-CD2 3.95Å; H496-Y519 HydrophobicContact CB-CE1 3.67Å; H496-Y519 HydrophobicContact CB-CE2 3.81Å; H496-Y519 HydrophobicContact CB-CG 3.97Å; H496-Y519 VanDerWaalsContact CB-O 3.25Å; H496-Y519 WeakPolarHBondContact CB-O 3.48Å; H496-Y519 AromaticContact CD2-CE1 3.64Å; H496-Y519 AromaticContact CD2-CZ 3.33Å; H496-Y519 PolarHBondContact CD2-OH 2.8Å; H496-Y519 AromaticContact CG-CZ 3.71Å; H497-Y519 AromaticContact CE1-CE2 3.91Å; H497-Y519 PolarHBondContact N-O 2.84Å; K517-Y519 HydrophobicContact CB-CD1 4.04Å; K517-Y519 HydrophobicContact CB-CE1 4.12Å; Y519-N521 PolarHBondContact O-N 2.9Å; Y519-N521 PolarHBondContact O-ND2 2.9Å; Y519-F542 WeakPolarHBondContact CA-O 3.24Å; Y519-F542 WeakPolarHBondContact CB-O 3.12Å; Y519-F542 AromaticContact CD1-CE1 3.96Å; Y519-F542 HydrophobicContact CD1-CE1 3.96Å; Y519-F542 HydrophobicContact CD1-CE2 4.31Å; Y519-F542 AromaticContact CD1-CZ 3.61Å; Y519-F542 HydrophobicContact CD1-CZ 3.61Å; Y519-F542 HydrophobicContact CD2-CE2 4.02Å; Y519-F542 HydrophobicContact CD2-CZ 4.1Å; Y519-F542 HydrophobicContact CE1-CZ 4.27Å; Y519-F542 HydrophobicContact CG-CD2 4.44Å; Y519-F542 HydrophobicContact CG-CE1 4.05Å; Y519-F542 AromaticContact CG-CE2 3.72Å; Y519-F542 HydrophobicContact CG-CE2 3.72Å; Y519-F542 AromaticContact CG-CZ 3.49Å; Y519-F542 HydrophobicContact CG-CZ 3.49Å; Y519-F542 VanDerWaalsContact CG-CZ 3.49Å
520	A	96.1	Very high	97.7	Very high	30 Å²	30	35.3 Å²	35.3	25%	0.248	17%	0.169	C	C	.	.	S	Bend	trans	54	23.9	177.6	0	0	0	0	0	114.8	H497 F542 N543	H497-A520 WeakPolarHBondContact CA-O 3.44Å; A520-F542 PolarHBondContact N-O 3.49Å; A520-N543 WeakPolarHBondContact CA-O 3.48Å; A520-N543 PolarHBondContact N-O 3.46Å
521	N	95.9	Very high	97.7	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.011	17%	0.168	C	C	.	.			trans	-82	146.2	176.1	-62.3	-55	0	0	0	110	I495 H496 H497 G498 G502 Y519 F523 N545	I495-N521 PolarHBondContact O-ND2 2.93Å; H496-N521 WeakPolarHBondContact CA-OD1 3.11Å; H497-N521 PolarHBondContact N-OD1 2.81Å; H497-N521 VanDerWaalsContact N-OD1 3.17Å; G498-N521 PolarHBondContact N-OD1 3.2Å; G502-N521 WeakPolarHBondContact CA-ND2 3.22Å; Y519-N521 PolarHBondContact O-N 2.9Å; Y519-N521 PolarHBondContact O-ND2 2.9Å; N521-F523 VanDerWaalsContact C-N 3.33Å; N521-F523 PolarHBondContact O-N 2.92Å; N521-N545 PolarHBondContact O-N 3.05Å
522	N	95.2	Very high	97.7	Very high	75 Å²	75	33.3 Å²	33.3	40%	0.401	17%	0.167	S	C	.	.	S	Bend	trans	-71.9	-24.3	-174.5	-87.5	-11.8	0	0	0	114.1	G498 Q499 T500 N545	G498-N522 PolarHBondContact O-N 3.48Å; Q499-N522 VanDerWaalsContact O-CB 3.28Å; Q499-N522 WeakPolarHBondContact O-CB 3.41Å; T500-N522 PolarHBondContact O-N 3.29Å; N522-N545 WeakPolarHBondContact O-CB 3.47Å; N522-N545 PolarHBondContact OD1-ND2 3.2Å; N522-N545 VanDerWaalsContact OD1-ND2 3.12Å
523	F	95.2	Very high	97.7	Very high	81 Å²	81	33.3 Å²	33.3	36%	0.355	17%	0.17	S	C	.	.	S	Bend	trans	-116.9	-157.4	172.8	-67.1	62	0	0	0	108.7	T500 N521 W527	T500-F523 PolarHBondContact O-N 3.06Å; N521-F523 VanDerWaalsContact C-N 3.33Å; N521-F523 PolarHBondContact O-N 2.92Å; F523-W527 HydrophobicContact CB-CH2 3.77Å; F523-W527 HydrophobicContact CB-CZ2 3.64Å; F523-W527 AromaticContact CD2-CH2 3.58Å; F523-W527 HydrophobicContact CD2-CH2 3.58Å; F523-W527 AromaticContact CD2-CZ2 3.61Å; F523-W527 HydrophobicContact CD2-CZ2 3.61Å; F523-W527 HydrophobicContact CE2-CH2 4.43Å; F523-W527 AromaticContact CG-CH2 3.91Å; F523-W527 HydrophobicContact CG-CH2 3.91Å; F523-W527 HydrophobicContact CG-CZ2 4.04Å
524	A	95.2	Very high	97.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.			trans	-65	151.2	-174	0	0	0	0	0	112.7	G501 G502 V526 W527 G547	G501-A524 CarbonylContact C-O 3.59Å; G501-A524 WeakPolarHBondContact CA-O 3.29Å; G502-A524 PolarHBondContact N-O 2.75Å; A524-V526 VanDerWaalsContact C-N 3.35Å; A524-V526 PolarHBondContact O-N 2.93Å; A524-W527 HydrophobicContact CB-CG 4.4Å; A524-G547 WeakPolarHBondContact CA-O 3.06Å; A524-G547 WeakPolarHBondContact CB-O 3.11Å
525	G	97.4	Very high	97.7	Very high	3 Å²	3	34.5 Å²	34.5	3%	0.031	18%	0.178	C	C	.	.	S	Bend	trans	-59	-47.2	173.8	0	0	0	0	0	111.7	G502 I503 I518 G547 G548	G502-G525 CarbonylContact C-O 3.56Å; G502-G525 VanDerWaalsContact CA-O 3.24Å; G502-G525 WeakPolarHBondContact CA-O 3.33Å; G502-G525 PolarHBondContact N-O 3.28Å; I503-G525 PolarHBondContact N-O 2.86Å; I518-G525 VanDerWaalsContact CG2-O 3.32Å; I518-G525 WeakPolarHBondContact CG2-O 3.16Å; G525-G547 PolarHBondContact N-O 2.88Å; G525-G547 VanDerWaalsContact N-O 3.09Å; G525-G548 CarbonylContact C-O 3.55Å; G525-G548 VanDerWaalsContact CA-O 3.26Å; G525-G548 WeakPolarHBondContact CA-O 3.36Å; G525-G548 PolarHBondContact N-O 2.92Å; G525-G548 VanDerWaalsContact N-O 3.14Å
526	V	98.6	Very high	97.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	131.7	175.2	-175	0	0	0	0	110.7	I503 I518 A524 I528 I536 I541 G548 V549 Y550	I503-V526 HydrophobicContact CB-CG1 4.29Å; I503-V526 HydrophobicContact CB-CG2 4.31Å; I503-V526 HydrophobicContact CD1-CG2 4.13Å; I503-V526 HydrophobicContact CG2-CG1 4.29Å; I503-V526 CarbonylContact O-C 3.59Å; I503-V526 WeakPolarHBondContact O-CA 3.39Å; I518-V526 HydrophobicContact CD1-CG2 4.15Å; A524-V526 VanDerWaalsContact C-N 3.35Å; A524-V526 PolarHBondContact O-N 2.93Å; V526-I528 HydrophobicContact CG1-CD1 4.43Å; V526-I528 HydrophobicContact CG1-CG1 4.03Å; V526-I536 HydrophobicContact CG1-CD1 3.9Å; V526-I536 HydrophobicContact CG1-CG1 4.27Å; V526-I536 HydrophobicContact CG2-CG2 4.49Å; V526-I541 HydrophobicContact CG2-CD1 4.12Å; V526-G548 PolarHBondContact N-O 3.06Å; V526-V549 HydrophobicContact CB-CG1 4.2Å; V526-V549 HydrophobicContact CB-CG2 4.22Å; V526-V549 HydrophobicContact CG1-CG1 4.45Å; V526-V549 HydrophobicContact CG2-CG2 4.39Å; V526-V549 WeakPolarHBondContact O-CA 3.48Å; V526-Y550 PolarHBondContact O-N 3.16Å
527	W	97.8	Very high	97.7	Very high	41 Å²	41	34.6 Å²	34.6	16%	0.155	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	134.6	168.3	-81.4	-29.7	0	0	0	111.6	I503 Y504 V505 F523 A524 Y550 F552	I503-W527 PolarHBondContact O-N 3.5Å; Y504-W527 HydrophobicContact CD2-CB 3.57Å; Y504-W527 HydrophobicContact CD2-CD2 4.46Å; Y504-W527 AromaticContact CD2-CE3 3.96Å; Y504-W527 HydrophobicContact CD2-CE3 3.96Å; Y504-W527 HydrophobicContact CD2-CG 4.39Å; Y504-W527 HydrophobicContact CE2-CB 4.27Å; Y504-W527 HydrophobicContact CE2-CE3 4.4Å; Y504-W527 HydrophobicContact CG-CB 4.44Å; Y504-W527 HydrophobicContact CG-CE3 4.12Å; V505-W527 PolarHBondContact N-O 3.01Å; F523-W527 HydrophobicContact CB-CH2 3.77Å; F523-W527 HydrophobicContact CB-CZ2 3.64Å; F523-W527 AromaticContact CD2-CH2 3.58Å; F523-W527 HydrophobicContact CD2-CH2 3.58Å; F523-W527 AromaticContact CD2-CZ2 3.61Å; F523-W527 HydrophobicContact CD2-CZ2 3.61Å; F523-W527 HydrophobicContact CE2-CH2 4.43Å; F523-W527 AromaticContact CG-CH2 3.91Å; F523-W527 HydrophobicContact CG-CH2 3.91Å; F523-W527 HydrophobicContact CG-CZ2 4.04Å; A524-W527 HydrophobicContact CB-CG 4.4Å; W527-Y550 WeakPolarHBondContact CA-O 3.42Å; W527-Y550 AromaticContact CD1-CD1 3.81Å; W527-Y550 AromaticContact NE1-CD1 3.48Å; W527-F552 HydrophobicContact CG-CE1 4.44Å
528	I	98.6	Very high	97.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	120.5	175.6	-50.3	175.8	0	0	0	108.6	V505 V526 P534 I536 V549 Y550 I551 F552 I559	V505-I528 WeakPolarHBondContact O-CA 3.26Å; V526-I528 HydrophobicContact CG1-CD1 4.43Å; V526-I528 HydrophobicContact CG1-CG1 4.03Å; I528-P534 HydrophobicContact CD1-CG 3.58Å; I528-P534 HydrophobicContact CG1-CG 3.83Å; I528-P534 HydrophobicContact CG2-CG 4.02Å; I528-I536 HydrophobicContact CD1-CG1 4.37Å; I528-V549 HydrophobicContact CD1-CG1 4.31Å; I528-Y550 PolarHBondContact N-O 3.09Å; I528-I551 HydrophobicContact CB-CG1 4.35Å; I528-I551 HydrophobicContact CB-CG2 4.18Å; I528-I551 HydrophobicContact CD1-CD1 4.26Å; I528-I551 HydrophobicContact CD1-CG1 4.19Å; I528-I551 HydrophobicContact CG2-CG2 4.45Å; I528-I551 WeakPolarHBondContact O-CA 3.24Å; I528-F552 PolarHBondContact O-N 2.89Å; I528-I559 HydrophobicContact CD1-CD1 4.38Å
529	T	98.4	Very high	97.7	Very high	4 Å²	4	31.7 Å²	31.7	3%	0.025	17%	0.172	C	C	.	.			trans	-152.5	178.9	-177.8	-163.8	0	0	0	0	114.2	Y504 V505 H506 N531 S532 F552	Y504-T529 HydrophobicContact CE2-CG2 3.78Å; V505-T529 PolarHBondContact O-N 3.22Å; H506-T529 HydrophobicContact CB-CG2 3.56Å; T529-N531 PolarHBondContact O-N 2.85Å; T529-S532 WeakPolarHBondContact O-CB 3.24Å; T529-S532 PolarHBondContact O-N 2.85Å; T529-S532 PolarHBondContact O-OG 2.86Å; T529-F552 VanDerWaalsContact CA-O 3.3Å; T529-F552 WeakPolarHBondContact CA-O 3.34Å; T529-F552 HydrophobicContact CG2-CE1 4.23Å; T529-F552 HydrophobicContact CG2-CE2 4Å; T529-F552 HydrophobicContact CG2-CZ 3.75Å; T529-F552 WeakPolarHBondContact OG1-CD2 3.44Å; T529-F552 WeakPolarHBondContact OG1-CE2 3.32Å; T529-F552 PolarHBondContact OG1-O 3.22Å
530	S	97.8	Very high	97.8	Very high	53 Å²	53	31.3 Å²	31.3	37%	0.371	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	54.7	174	-63.8	0	0	0	0	113.1	K508 S532 G553	K508-S530 PolarHBondContact N-O 2.98Å; S530-S532 VanDerWaalsContact C-N 3.25Å; S530-S532 PolarHBondContact O-N 2.92Å; S530-G553 WeakPolarHBondContact CA-O 3.29Å; S530-G553 PolarHBondContact N-O 3.13Å; S530-G553 VanDerWaalsContact N-O 3.09Å
531	N	97.8	Very high	97.9	Very high	85 Å²	85	29.9 Å²	29.9	46%	0.455	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	24.2	-177.2	-53.3	129	0	0	0	116.3	K508 T529 G553 D554	K508-N531 HydrophobicContact CG-CB 3.98Å; T529-N531 PolarHBondContact O-N 2.85Å; N531-G553 PolarHBondContact N-O 2.99Å; N531-D554 WeakPolarHBondContact ND2-CB 3.33Å; N531-D554 PolarHBondContact ND2-O 3.26Å
532	S	98.6	Very high	98	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.17	C	C	.	.			trans	-75.2	152.2	176.6	-58.6	0	0	0	0	113.5	V505 H506 K508 G509 T529 S530 R556	V505-S532 PolarHBondContact O-OG 2.86Å; H506-S532 WeakPolarHBondContact CA-OG 3.5Å; H506-S532 PolarHBondContact N-OG 3.34Å; H506-S532 PolarHBondContact O-OG 2.99Å; K508-S532 PolarHBondContact N-OG 3.21Å; G509-S532 PolarHBondContact N-OG 3.19Å; G509-S532 WeakPolarHBondContact O-CA 3.49Å; G509-S532 VanDerWaalsContact O-CB 3.26Å; G509-S532 WeakPolarHBondContact O-CB 3.25Å; T529-S532 WeakPolarHBondContact O-CB 3.24Å; T529-S532 PolarHBondContact O-N 2.85Å; T529-S532 PolarHBondContact O-OG 2.86Å; S530-S532 VanDerWaalsContact C-N 3.25Å; S530-S532 PolarHBondContact O-N 2.92Å; S532-R556 PolarHBondContact O-N 3.23Å
533	D	98.5	Very high	98	Very high	78 Å²	78	31.9 Å²	31.9	42%	0.417	17%	0.173	S	C	.	.			trans	-143	64.1	-169.3	-158.6	23.2	0	0	0	111.9	G509 R556 G557	G509-D533 PolarHBondContact O-N 3.4Å; D533-R556 HydrophobicContact CB-CB 4.27Å; D533-R556 WeakPolarHBondContact OD1-CB 3.41Å; D533-G557 WeakPolarHBondContact OD1-CA 3.4Å; D533-G557 PolarHBondContact OD1-N 3.1Å
534	P	98.7	Very high	97.8	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	16%	0.158	C	C	.	.			trans	-84.7	164.9	-179.2	36	-36.7	0	0	0	112.9	V505 G511 I528 I536 G557 L558	V505-P534 HydrophobicContact CB-CG 4.27Å; V505-P534 HydrophobicContact CG1-CB 4.22Å; V505-P534 HydrophobicContact CG1-CG 4.24Å; V505-P534 HydrophobicContact CG2-CB 4.1Å; V505-P534 HydrophobicContact CG2-CG 4.1Å; G511-P534 WeakPolarHBondContact O-CA 3.41Å; I528-P534 HydrophobicContact CD1-CG 3.58Å; I528-P534 HydrophobicContact CG1-CG 3.83Å; I528-P534 HydrophobicContact CG2-CG 4.02Å; P534-I536 HydrophobicContact CB-CD1 4.29Å; P534-I536 HydrophobicContact CG-CD1 4.35Å; P534-G557 CarbonylContact O-C 3.54Å; P534-G557 WeakPolarHBondContact O-CA 3.32Å; P534-L558 PolarHBondContact O-N 3.44Å
535	T	98.9	Very high	97.7	Very high	41 Å²	41	32.8 Å²	32.8	25%	0.252	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	118.9	167.5	-61.2	0	0	0	0	110	G511 F513 R537 L558	G511-T535 PolarHBondContact O-N 3.04Å; F513-T535 PolarHBondContact N-O 3.48Å; T535-R537 HydrophobicContact CG2-CB 4.07Å; T535-L558 HydrophobicContact CG2-CD2 4.4Å
536	I	98.9	Very high	97.5	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	98.3	175.9	-47.7	-57.6	0	0	0	106.8	F513 V526 I528 P534 N539 I541 L558 I559 E560 N562	F513-I536 HydrophobicContact CB-CD1 3.96Å; F513-I536 HydrophobicContact CD2-CD1 3.65Å; F513-I536 HydrophobicContact CG-CD1 4.09Å; V526-I536 HydrophobicContact CG1-CD1 3.9Å; V526-I536 HydrophobicContact CG1-CG1 4.27Å; V526-I536 HydrophobicContact CG2-CG2 4.49Å; I528-I536 HydrophobicContact CD1-CG1 4.37Å; P534-I536 HydrophobicContact CB-CD1 4.29Å; P534-I536 HydrophobicContact CG-CD1 4.35Å; I536-N539 WeakPolarHBondContact CG2-ND2 3.11Å; I536-I541 HydrophobicContact CG2-CD1 4.13Å; I536-L558 PolarHBondContact N-O 2.91Å; I536-I559 HydrophobicContact CB-CG1 4.44Å; I536-I559 WeakPolarHBondContact O-CA 3.37Å; I536-E560 PolarHBondContact O-N 3.24Å; I536-N562 PolarHBondContact O-ND2 3.46Å; I536-N562 PolarHBondContact O-OD1 3.23Å
537	R	98.9	Very high	97.3	Very high	90 Å²	90	35 Å²	35	34%	0.34	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.2	-170.9	-170.7	177.9	64.2	73.5	3.3	114.3	F513 I514 E515 T535 N539 E560	F513-R537 PolarHBondContact O-N 3.15Å; I514-R537 VanDerWaalsContact CA-O 3.3Å; I514-R537 WeakPolarHBondContact CA-O 3.34Å; E515-R537 PolarHBondContact N-O 3.01Å; E515-R537 VanDerWaalsContact N-O 3.15Å; T535-R537 HydrophobicContact CG2-CB 4.07Å; R537-N539 VanDerWaalsContact C-N 3.29Å; R537-N539 PolarHBondContact N-ND2 2.87Å; R537-N539 PolarHBondContact O-N 2.77Å; R537-N539 PolarHBondContact O-ND2 3.35Å; R537-E560 CarbonylContact C-O 3.53Å; R537-E560 VanDerWaalsContact CA-O 3.22Å; R537-E560 WeakPolarHBondContact CA-O 3.15Å; R537-E560 WeakPolarHBondContact CD-OE2 3.34Å; R537-E560 HydrophobicContact CG-CB 4.12Å; R537-E560 HydrophobicContact CG-CG 4.14Å
538	G	98.8	Very high	97.3	Very high	34 Å²	34	33.1 Å²	33.1	35%	0.351	19%	0.186	S	C	.	.	S	Bend	trans	66.9	22.8	171.7	0	0	0	0	0	115.5	E515 E560 G561 N562	E515-G538 WeakPolarHBondContact CA-O 3.44Å; G538-E560 PolarHBondContact N-O 3.33Å; G538-G561 WeakPolarHBondContact CA-O 3.28Å; G538-N562 PolarHBondContact N-OD1 3.2Å
539	N	98.9	Very high	97.3	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	19%	0.186	C	C	.	.			trans	-89	155.6	179.7	-50.8	-88.9	0	0	0	111.1	F513 E515 N516 I518 I536 R537 I541 N562 D563	F513-N539 PolarHBondContact O-ND2 3.25Å; F513-N539 PolarHBondContact O-OD1 3.2Å; E515-N539 PolarHBondContact N-OD1 3.37Å; N516-N539 VanDerWaalsContact CB-OD1 3.26Å; N516-N539 WeakPolarHBondContact CB-OD1 3.39Å; N516-N539 PolarHBondContact N-OD1 2.91Å; N516-N539 PolarHBondContact ND2-OD1 2.99Å; N516-N539 CarbonylContact O-C 3.53Å; N516-N539 VanDerWaalsContact O-CA 3.27Å; N516-N539 WeakPolarHBondContact O-CA 3.49Å; N516-N539 WeakPolarHBondContact O-CB 3.44Å; I518-N539 HydrophobicContact CD1-CB 4.14Å; I536-N539 WeakPolarHBondContact CG2-ND2 3.11Å; R537-N539 VanDerWaalsContact C-N 3.29Å; R537-N539 PolarHBondContact N-ND2 2.87Å; R537-N539 PolarHBondContact O-N 2.77Å; R537-N539 PolarHBondContact O-ND2 3.35Å; N539-I541 HydrophobicContact CB-CD1 4.48Å; N539-I541 HydrophobicContact CB-CG1 4.15Å; N539-N562 WeakPolarHBondContact CB-OD1 3.39Å; N539-N562 PolarHBondContact N-OD1 2.72Å; N539-N562 PolarHBondContact ND2-OD1 2.76Å; N539-N562 CarbonylContact O-C 3.54Å; N539-N562 VanDerWaalsContact O-CA 3.3Å; N539-N562 WeakPolarHBondContact O-CA 3.37Å; N539-N562 WeakPolarHBondContact O-CB 3.37Å; N539-D563 PolarHBondContact O-N 3.36Å
540	S	98.8	Very high	97.3	Very high	39 Å²	39	34.7 Å²	34.7	27%	0.273	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	120.2	166.2	-59.2	0	0	0	0	109.6	N516 I518 D563	N516-S540 PolarHBondContact O-N 3Å; I518-S540 PolarHBondContact N-O 2.92Å; S540-D563 CarbonylContact C-O 3.44Å; S540-D563 WeakPolarHBondContact CA-O 3.39Å
541	I	98.7	Very high	97.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	97	-172	-48.2	178.5	0	0	0	109.9	I518 V526 I536 N539 G548 V549 D563 I564 Y565 N567	I518-I541 HydrophobicContact CB-CG1 4.46Å; I518-I541 HydrophobicContact CB-CG2 4.41Å; I518-I541 HydrophobicContact CD1-CD1 4.4Å; I518-I541 HydrophobicContact CD1-CG1 4.07Å; I518-I541 HydrophobicContact CG2-CG2 4.38Å; I518-I541 CarbonylContact O-C 3.59Å; I518-I541 WeakPolarHBondContact O-CA 3.29Å; V526-I541 HydrophobicContact CG2-CD1 4.12Å; I536-I541 HydrophobicContact CG2-CD1 4.13Å; N539-I541 HydrophobicContact CB-CD1 4.48Å; N539-I541 HydrophobicContact CB-CG1 4.15Å; I541-G548 WeakPolarHBondContact CG2-O 3.21Å; I541-V549 HydrophobicContact CD1-CG2 3.64Å; I541-D563 PolarHBondContact N-O 3.21Å; I541-I564 HydrophobicContact CB-CG1 4.3Å; I541-I564 HydrophobicContact CB-CG2 4.48Å; I541-I564 HydrophobicContact CD1-CD1 4.47Å; I541-I564 HydrophobicContact CD1-CG1 4.42Å; I541-I564 WeakPolarHBondContact O-CA 3.01Å; I541-Y565 PolarHBondContact O-N 3.08Å; I541-N567 PolarHBondContact O-ND2 3.14Å
542	F	98.1	Very high	97.3	Very high	31 Å²	31	30.8 Å²	30.8	14%	0.136	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	157.5	-162.5	64.8	-86	0	0	0	116.9	I518 Y519 A520 G544 Y565	I518-F542 PolarHBondContact O-N 3.19Å; Y519-F542 WeakPolarHBondContact CA-O 3.24Å; Y519-F542 WeakPolarHBondContact CB-O 3.12Å; Y519-F542 AromaticContact CD1-CE1 3.96Å; Y519-F542 HydrophobicContact CD1-CE1 3.96Å; Y519-F542 HydrophobicContact CD1-CE2 4.31Å; Y519-F542 AromaticContact CD1-CZ 3.61Å; Y519-F542 HydrophobicContact CD1-CZ 3.61Å; Y519-F542 HydrophobicContact CD2-CE2 4.02Å; Y519-F542 HydrophobicContact CD2-CZ 4.1Å; Y519-F542 HydrophobicContact CE1-CZ 4.27Å; Y519-F542 HydrophobicContact CG-CD2 4.44Å; Y519-F542 HydrophobicContact CG-CE1 4.05Å; Y519-F542 AromaticContact CG-CE2 3.72Å; Y519-F542 HydrophobicContact CG-CE2 3.72Å; Y519-F542 AromaticContact CG-CZ 3.49Å; Y519-F542 HydrophobicContact CG-CZ 3.49Å; Y519-F542 VanDerWaalsContact CG-CZ 3.49Å; A520-F542 PolarHBondContact N-O 3.49Å; F542-G544 PolarHBondContact O-N 3.26Å; F542-Y565 WeakPolarHBondContact CA-O 3.27Å; F542-Y565 HydrophobicContact CB-CD1 4.21Å; F542-Y565 HydrophobicContact CB-CD2 3.61Å; F542-Y565 HydrophobicContact CB-CE1 3.96Å; F542-Y565 HydrophobicContact CB-CE2 3.32Å; F542-Y565 HydrophobicContact CB-CG 4.04Å; F542-Y565 VanDerWaalsContact CB-CZ 3.49Å; F542-Y565 VanDerWaalsContact CB-O 3.28Å; F542-Y565 WeakPolarHBondContact CB-O 3.24Å; F542-Y565 HydrophobicContact CD1-CE1 4.36Å; F542-Y565 HydrophobicContact CD1-CE2 4.43Å; F542-Y565 AromaticContact CD1-CZ 3.86Å; F542-Y565 WeakPolarHBondContact CD1-OH 3.15Å; F542-Y565 AromaticContact CD2-CE2 3.89Å; F542-Y565 HydrophobicContact CD2-CE2 3.89Å; F542-Y565 HydrophobicContact CG-CD2 4.43Å; F542-Y565 HydrophobicContact CG-CE1 4.28Å; F542-Y565 AromaticContact CG-CE2 3.65Å; F542-Y565 HydrophobicContact CG-CE2 3.65Å; F542-Y565 AromaticContact CG-CZ 3.54Å; F542-Y565 WeakPolarHBondContact CG-OH 3.47Å
543	N	94.9	Very high	97.2	Very high	88 Å²	88	31.8 Å²	31.8	47%	0.471	17%	0.174	S	C	.	.	S	Bend	trans	49.9	33.3	176	-60.2	-4.8	0	0	0	113.9	A520 Y565 N567	A520-N543 WeakPolarHBondContact CA-O 3.48Å; A520-N543 PolarHBondContact N-O 3.46Å; N543-Y565 PolarHBondContact N-O 3.19Å; N543-N567 PolarHBondContact N-OD1 2.93Å
544	G	91.8	Very high	97.2	Very high	4 Å²	4	31.2 Å²	31.2	4%	0.041	17%	0.171	C	C	.	.			trans	-80.7	148.3	171.8	0	0	0	0	0	112	F542 Q546 N567 A568	F542-G544 PolarHBondContact O-N 3.26Å; G544-Q546 PolarHBondContact O-N 2.82Å; G544-N567 PolarHBondContact N-OD1 2.81Å; G544-A568 PolarHBondContact O-N 3.1Å
545	N	92.3	Very high	97.2	Very high	96 Å²	96	31.2 Å²	31.2	51%	0.513	17%	0.171	S	C	.	.	S	Bend	trans	-76.6	0.4	-179.3	-68.6	-23.5	0	0	0	113.5	N521 N522	N521-N545 PolarHBondContact O-N 3.05Å; N522-N545 WeakPolarHBondContact O-CB 3.47Å; N522-N545 PolarHBondContact OD1-ND2 3.2Å; N522-N545 VanDerWaalsContact OD1-ND2 3.12Å
546	Q	94.7	Very high	97.1	Very high	48 Å²	48	35.3 Å²	35.3	22%	0.224	18%	0.182	C	C	.	.	S	Bend	trans	-131.5	-139.7	168.3	-66.4	-177.5	0.3	0	0	110.2	G544 A568 L569	G544-Q546 PolarHBondContact O-N 2.82Å; Q546-A568 PolarHBondContact O-N 3.07Å; Q546-L569 HydrophobicContact CB-CD1 4.01Å; Q546-L569 HydrophobicContact CG-CD1 4.14Å; Q546-L569 PolarHBondContact O-N 3Å
547	G	93.3	Very high	97.1	Very high	2 Å²	2	35.6 Å²	35.6	2%	0.021	19%	0.185	C	C	.	.			trans	-84.3	162.7	179.9	0	0	0	0	0	112.9	A524 G525 A570	A524-G547 WeakPolarHBondContact CA-O 3.06Å; A524-G547 WeakPolarHBondContact CB-O 3.11Å; G525-G547 PolarHBondContact N-O 2.88Å; G525-G547 VanDerWaalsContact N-O 3.09Å; G547-A570 CarbonylContact C-O 3.26Å; G547-A570 WeakPolarHBondContact CA-O 3.17Å
548	G	97.5	Very high	97	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-67.5	-61.9	176.2	0	0	0	0	0	111.5	G525 V526 I541 A570 G571	G525-G548 CarbonylContact C-O 3.55Å; G525-G548 VanDerWaalsContact CA-O 3.26Å; G525-G548 WeakPolarHBondContact CA-O 3.36Å; G525-G548 PolarHBondContact N-O 2.92Å; G525-G548 VanDerWaalsContact N-O 3.14Å; V526-G548 PolarHBondContact N-O 3.06Å; I541-G548 WeakPolarHBondContact CG2-O 3.21Å; G548-A570 PolarHBondContact N-O 3.49Å; G548-A570 VanDerWaalsContact N-O 3.16Å; G548-G571 CarbonylContact C-O 3.58Å; G548-G571 WeakPolarHBondContact CA-O 3.44Å; G548-G571 PolarHBondContact N-O 3.37Å
549	V	98.6	Very high	97.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125.7	174.9	-175.7	0	0	0	0	109.5	V526 I528 I541 I551 I559 I564 G571 I572 Q573	V526-V549 HydrophobicContact CB-CG1 4.2Å; V526-V549 HydrophobicContact CB-CG2 4.22Å; V526-V549 HydrophobicContact CG1-CG1 4.45Å; V526-V549 HydrophobicContact CG2-CG2 4.39Å; V526-V549 WeakPolarHBondContact O-CA 3.48Å; I528-V549 HydrophobicContact CD1-CG1 4.31Å; I541-V549 HydrophobicContact CD1-CG2 3.64Å; V549-I551 HydrophobicContact CG1-CD1 4.01Å; V549-I551 HydrophobicContact CG1-CG1 3.91Å; V549-I559 HydrophobicContact CG1-CG1 4.2Å; V549-I564 HydrophobicContact CG2-CD1 4.19Å; V549-G571 PolarHBondContact N-O 3.14Å; V549-I572 HydrophobicContact CB-CG1 4.35Å; V549-I572 CarbonylContact O-C 3.52Å; V549-I572 VanDerWaalsContact O-CA 3.31Å; V549-I572 WeakPolarHBondContact O-CA 3.07Å; V549-Q573 PolarHBondContact O-N 3.28Å
550	Y	98.1	Very high	97.1	Very high	37 Å²	37	33.1 Å²	33.1	15%	0.145	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	119.9	-176.6	177.1	-157.6	0	0	0	111.5	V526 W527 I528 F552 Q573 R575 H598	V526-Y550 PolarHBondContact O-N 3.16Å; W527-Y550 WeakPolarHBondContact CA-O 3.42Å; W527-Y550 AromaticContact CD1-CD1 3.81Å; W527-Y550 AromaticContact NE1-CD1 3.48Å; I528-Y550 PolarHBondContact N-O 3.09Å; Y550-F552 HydrophobicContact CE2-CB 4.49Å; Y550-F552 HydrophobicContact CE2-CD1 4.48Å; Y550-Q573 WeakPolarHBondContact CA-O 3.26Å; Y550-Q573 HydrophobicContact CD2-CB 3.69Å; Y550-Q573 HydrophobicContact CD2-CG 3.76Å; Y550-Q573 HydrophobicContact CE2-CB 4.29Å; Y550-Q573 HydrophobicContact CE2-CG 3.83Å; Y550-Q573 VanDerWaalsContact CE2-OE1 3.23Å; Y550-Q573 HydrophobicContact CG-CB 4.29Å; Y550-R575 VanDerWaalsContact CE2-CD 3.43Å; Y550-R575 HydrophobicContact CE2-CG 3.89Å; Y550-R575 VanDerWaalsContact OH-CD 3.23Å; Y550-R575 WeakPolarHBondContact OH-CD 3.33Å; Y550-R575 PolarHBondContact OH-NH1 3.06Å; Y550-H598 AromaticContact CE2-NE2 4Å
551	I	98.6	Very high	97	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	118.6	-164	-46.9	178.6	0	0	0	108.6	I528 V549 I559 Q573 R575 P580	I528-I551 HydrophobicContact CB-CG1 4.35Å; I528-I551 HydrophobicContact CB-CG2 4.18Å; I528-I551 HydrophobicContact CD1-CD1 4.26Å; I528-I551 HydrophobicContact CD1-CG1 4.19Å; I528-I551 HydrophobicContact CG2-CG2 4.45Å; I528-I551 WeakPolarHBondContact O-CA 3.24Å; V549-I551 HydrophobicContact CG1-CD1 4.01Å; V549-I551 HydrophobicContact CG1-CG1 3.91Å; I551-I559 HydrophobicContact CD1-CD1 3.75Å; I551-I559 HydrophobicContact CD1-CG1 4.4Å; I551-Q573 PolarHBondContact N-O 2.74Å; I551-R575 PolarHBondContact O-N 3.27Å; I551-P580 HydrophobicContact CD1-CB 3.79Å; I551-P580 HydrophobicContact CD1-CG 3.8Å
552	F	98	Very high	97.1	Very high	57 Å²	57	33.2 Å²	33.2	25%	0.25	18%	0.175	C	C	.	.			trans	-143.6	180	-175.7	64.4	-78.2	0	0	0	111.5	W527 I528 T529 Y550 D554 G555 R575 S578	W527-F552 HydrophobicContact CG-CE1 4.44Å; I528-F552 PolarHBondContact O-N 2.89Å; T529-F552 VanDerWaalsContact CA-O 3.3Å; T529-F552 WeakPolarHBondContact CA-O 3.34Å; T529-F552 HydrophobicContact CG2-CE1 4.23Å; T529-F552 HydrophobicContact CG2-CE2 4Å; T529-F552 HydrophobicContact CG2-CZ 3.75Å; T529-F552 WeakPolarHBondContact OG1-CD2 3.44Å; T529-F552 WeakPolarHBondContact OG1-CE2 3.32Å; T529-F552 PolarHBondContact OG1-O 3.22Å; Y550-F552 HydrophobicContact CE2-CB 4.49Å; Y550-F552 HydrophobicContact CE2-CD1 4.48Å; F552-D554 PolarHBondContact O-N 3.14Å; F552-G555 PolarHBondContact O-N 2.88Å; F552-R575 HydrophobicContact CB-CG 3.44Å; F552-R575 VanDerWaalsContact CB-CG 3.44Å; F552-S578 WeakPolarHBondContact CA-OG 3.41Å; F552-S578 PolarHBondContact N-OG 3.02Å; F552-S578 PolarHBondContact O-OG 3.01Å
553	G	97.3	Very high	97.1	Very high	20 Å²	20	34.1 Å²	34.1	21%	0.206	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	51.5	172	0	0	0	0	0	114.7	S530 N531 G555	S530-G553 WeakPolarHBondContact CA-O 3.29Å; S530-G553 PolarHBondContact N-O 3.13Å; S530-G553 VanDerWaalsContact N-O 3.09Å; N531-G553 PolarHBondContact N-O 2.99Å; G553-G555 PolarHBondContact O-N 2.99Å
554	D	98.1	Very high	97.3	Very high	67 Å²	67	30 Å²	30	36%	0.358	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	30.6	-177.5	-66.2	-99.6	0	0	0	113.5	N531 F552 T576 N577	N531-D554 WeakPolarHBondContact ND2-CB 3.33Å; N531-D554 PolarHBondContact ND2-O 3.26Å; F552-D554 PolarHBondContact O-N 3.14Å; D554-T576 PolarHBondContact N-O 2.87Å; D554-T576 VanDerWaalsContact N-O 3.1Å; D554-N577 WeakPolarHBondContact OD1-CB 3.45Å; D554-N577 PolarHBondContact OD2-ND2 2.91Å
555	G	98	Very high	97.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.169	C	C	.	.			trans	-70.7	156.7	178	0	0	0	0	0	113.9	F552 G553 S578 C579	F552-G555 PolarHBondContact O-N 2.88Å; G553-G555 PolarHBondContact O-N 2.99Å; G555-S578 PolarHBondContact N-OG 3.05Å; G555-S578 CarbonylContact O-C 3.57Å; G555-S578 VanDerWaalsContact O-CA 3.31Å; G555-S578 WeakPolarHBondContact O-CA 3.36Å; G555-S578 VanDerWaalsContact O-CB 3.31Å; G555-S578 WeakPolarHBondContact O-CB 3.44Å; G555-C579 PolarHBondContact O-N 3.01Å
556	R	97.9	Very high	97.8	Very high	127 Å²	127	29 Å²	29	48%	0.479	15%	0.152	S	C	.	.			trans	-134.5	-135.9	-174.6	-61.4	-173.4	175	-169.8	-3.6	110.8	S532 D533	S532-R556 PolarHBondContact O-N 3.23Å; D533-R556 HydrophobicContact CB-CB 4.27Å; D533-R556 WeakPolarHBondContact OD1-CB 3.41Å
557	G	97	Very high	97.9	Very high	6 Å²	6	26.8 Å²	26.8	6%	0.062	14%	0.142	C	C	.	.			trans	94.6	162.3	-178.3	0	0	0	0	0	115	D533 P534 I581	D533-G557 WeakPolarHBondContact OD1-CA 3.4Å; D533-G557 PolarHBondContact OD1-N 3.1Å; P534-G557 CarbonylContact O-C 3.54Å; P534-G557 WeakPolarHBondContact O-CA 3.32Å; G557-I581 PolarHBondContact O-N 3.01Å
558	L	98.8	Very high	98	Very high	38 Å²	38	28 Å²	28	20%	0.199	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	118.5	172.6	174.4	62.8	0	0	0	108.9	P534 T535 I536 E560 I581 R583	P534-L558 PolarHBondContact O-N 3.44Å; T535-L558 HydrophobicContact CG2-CD2 4.4Å; I536-L558 PolarHBondContact N-O 2.91Å; L558-E560 HydrophobicContact CD1-CB 4.07Å; L558-E560 HydrophobicContact CD2-CB 4.3Å; L558-E560 HydrophobicContact CG-CB 3.93Å; L558-I581 HydrophobicContact CD1-CB 4.02Å; L558-I581 HydrophobicContact CD1-CG2 3.77Å; L558-R583 HydrophobicContact CD1-CG 4.33Å
559	I	98.9	Very high	98	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	99.5	175.1	-60.4	75.5	0	0	0	106.1	I528 I536 V549 I551 N562 I572 P580 I581 V582 R583 N585	I528-I559 HydrophobicContact CD1-CD1 4.38Å; I536-I559 HydrophobicContact CB-CG1 4.44Å; I536-I559 WeakPolarHBondContact O-CA 3.37Å; V549-I559 HydrophobicContact CG1-CG1 4.2Å; I551-I559 HydrophobicContact CD1-CD1 3.75Å; I551-I559 HydrophobicContact CD1-CG1 4.4Å; I559-N562 WeakPolarHBondContact CG2-ND2 3.28Å; I559-I572 HydrophobicContact CG2-CD1 4.02Å; I559-P580 HydrophobicContact CD1-CB 3.89Å; I559-I581 PolarHBondContact N-O 3.28Å; I559-V582 HydrophobicContact CB-CG2 4.34Å; I559-V582 HydrophobicContact CD1-CG2 4.48Å; I559-V582 WeakPolarHBondContact O-CA 3.17Å; I559-R583 PolarHBondContact O-N 3.37Å; I559-N585 PolarHBondContact O-ND2 3.49Å
560	E	98.8	Very high	97.9	Very high	36 Å²	36	31.6 Å²	31.6	17%	0.168	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126.7	-168.2	176.1	171.5	-106.1	0	0	114.1	I536 R537 G538 L558 N562 R583	I536-E560 PolarHBondContact O-N 3.24Å; R537-E560 CarbonylContact C-O 3.53Å; R537-E560 VanDerWaalsContact CA-O 3.22Å; R537-E560 WeakPolarHBondContact CA-O 3.15Å; R537-E560 WeakPolarHBondContact CD-OE2 3.34Å; R537-E560 HydrophobicContact CG-CB 4.12Å; R537-E560 HydrophobicContact CG-CG 4.14Å; G538-E560 PolarHBondContact N-O 3.33Å; L558-E560 HydrophobicContact CD1-CB 4.07Å; L558-E560 HydrophobicContact CD2-CB 4.3Å; L558-E560 HydrophobicContact CG-CB 3.93Å; E560-N562 PolarHBondContact N-ND2 2.66Å; E560-N562 VanDerWaalsContact N-ND2 3.14Å; E560-N562 PolarHBondContact O-N 2.83Å; E560-N562 VanDerWaalsContact O-N 3.08Å; E560-N562 PolarHBondContact O-ND2 2.62Å; E560-R583 CarbonylContact C-O 3.5Å; E560-R583 VanDerWaalsContact CA-O 3.26Å; E560-R583 WeakPolarHBondContact CA-O 3.36Å; E560-R583 HydrophobicContact CB-CG 4.46Å; E560-R583 HydrophobicContact CG-CG 4.36Å; E560-R583 IonicContact OE1-CZ 3.77Å; E560-R583 IonicContact OE1-NE 2.73Å; E560-R583 PolarHBondContact OE1-NE 3.11Å; E560-R583 IonicContact OE1-NH2 2.77Å; E560-R583 PolarHBondContact OE1-NH2 3.27Å
561	G	98.7	Very high	97.9	Very high	38 Å²	38	30.1 Å²	30.1	39%	0.392	17%	0.166	S	C	.	.	S	Bend	trans	63.3	18.5	167.5	0	0	0	0	0	115.2	G538 R583 H584 N585	G538-G561 WeakPolarHBondContact CA-O 3.28Å; G561-R583 PolarHBondContact N-O 2.81Å; G561-H584 WeakPolarHBondContact CA-O 2.98Å; G561-N585 PolarHBondContact N-OD1 3.49Å
562	N	98.9	Very high	97.9	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.011	17%	0.166	C	C	.	.			trans	-81.8	158.3	179.7	-53.3	-83	0	0	0	111	I536 G538 N539 I559 E560 I564 N585 K586	I536-N562 PolarHBondContact O-ND2 3.46Å; I536-N562 PolarHBondContact O-OD1 3.23Å; G538-N562 PolarHBondContact N-OD1 3.2Å; N539-N562 WeakPolarHBondContact CB-OD1 3.39Å; N539-N562 PolarHBondContact N-OD1 2.72Å; N539-N562 PolarHBondContact ND2-OD1 2.76Å; N539-N562 CarbonylContact O-C 3.54Å; N539-N562 VanDerWaalsContact O-CA 3.3Å; N539-N562 WeakPolarHBondContact O-CA 3.37Å; N539-N562 WeakPolarHBondContact O-CB 3.37Å; I559-N562 WeakPolarHBondContact CG2-ND2 3.28Å; E560-N562 PolarHBondContact N-ND2 2.66Å; E560-N562 VanDerWaalsContact N-ND2 3.14Å; E560-N562 PolarHBondContact O-N 2.83Å; E560-N562 VanDerWaalsContact O-N 3.08Å; E560-N562 PolarHBondContact O-ND2 2.62Å; N562-I564 HydrophobicContact CB-CD1 4.23Å; N562-I564 HydrophobicContact CB-CG1 4.07Å; N562-N585 WeakPolarHBondContact CB-OD1 3.47Å; N562-N585 PolarHBondContact N-OD1 3.12Å; N562-N585 PolarHBondContact ND2-OD1 2.9Å; N562-N585 CarbonylContact O-C 3.52Å; N562-N585 VanDerWaalsContact O-CA 3.3Å; N562-N585 WeakPolarHBondContact O-CA 3.36Å; N562-N585 WeakPolarHBondContact O-CB 3.4Å; N562-K586 PolarHBondContact O-N 3.44Å
563	D	98.9	Very high	97.9	Very high	50 Å²	50	28.6 Å²	28.6	27%	0.267	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	113.1	176.6	-165.5	25.7	0	0	0	109.2	N539 S540 I541 K586 H588	N539-D563 PolarHBondContact O-N 3.36Å; S540-D563 CarbonylContact C-O 3.44Å; S540-D563 WeakPolarHBondContact CA-O 3.39Å; I541-D563 PolarHBondContact N-O 3.21Å; D563-K586 WeakPolarHBondContact OD1-CB 3.44Å; D563-H588 IonicContact OD1-CD2 3.86Å; D563-H588 IonicContact OD1-NE2 3.72Å; D563-H588 PolarHBondContact OD1-NE2 3.32Å
564	I	98.8	Very high	98	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	104.8	-164	-51.6	-179.5	0	0	0	109.9	I541 V549 N562 I572 K586 I587 H588	I541-I564 HydrophobicContact CB-CG1 4.3Å; I541-I564 HydrophobicContact CB-CG2 4.48Å; I541-I564 HydrophobicContact CD1-CD1 4.47Å; I541-I564 HydrophobicContact CD1-CG1 4.42Å; I541-I564 WeakPolarHBondContact O-CA 3.01Å; V549-I564 HydrophobicContact CG2-CD1 4.19Å; N562-I564 HydrophobicContact CB-CD1 4.23Å; N562-I564 HydrophobicContact CB-CG1 4.07Å; I564-I572 HydrophobicContact CD1-CD1 3.94Å; I564-I572 HydrophobicContact CD1-CG1 3.85Å; I564-K586 PolarHBondContact N-O 3.13Å; I564-I587 WeakPolarHBondContact O-CA 3.26Å; I564-H588 PolarHBondContact O-N 3.07Å
565	Y	98.3	Very high	98	Very high	64 Å²	64	27.4 Å²	27.4	25%	0.251	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	161.1	-170.7	63.6	-98.2	0	0	0	116.4	I541 F542 N543 N567 H588	I541-Y565 PolarHBondContact O-N 3.08Å; F542-Y565 WeakPolarHBondContact CA-O 3.27Å; F542-Y565 HydrophobicContact CB-CD1 4.21Å; F542-Y565 HydrophobicContact CB-CD2 3.61Å; F542-Y565 HydrophobicContact CB-CE1 3.96Å; F542-Y565 HydrophobicContact CB-CE2 3.32Å; F542-Y565 HydrophobicContact CB-CG 4.04Å; F542-Y565 VanDerWaalsContact CB-CZ 3.49Å; F542-Y565 VanDerWaalsContact CB-O 3.28Å; F542-Y565 WeakPolarHBondContact CB-O 3.24Å; F542-Y565 HydrophobicContact CD1-CE1 4.36Å; F542-Y565 HydrophobicContact CD1-CE2 4.43Å; F542-Y565 AromaticContact CD1-CZ 3.86Å; F542-Y565 WeakPolarHBondContact CD1-OH 3.15Å; F542-Y565 AromaticContact CD2-CE2 3.89Å; F542-Y565 HydrophobicContact CD2-CE2 3.89Å; F542-Y565 HydrophobicContact CG-CD2 4.43Å; F542-Y565 HydrophobicContact CG-CE1 4.28Å; F542-Y565 AromaticContact CG-CE2 3.65Å; F542-Y565 HydrophobicContact CG-CE2 3.65Å; F542-Y565 AromaticContact CG-CZ 3.54Å; F542-Y565 WeakPolarHBondContact CG-OH 3.47Å; N543-Y565 PolarHBondContact N-O 3.19Å; Y565-N567 PolarHBondContact O-N 3.05Å; Y565-N567 PolarHBondContact O-ND2 3.31Å; Y565-H588 WeakPolarHBondContact CA-O 3.46Å; Y565-H588 WeakPolarHBondContact CB-O 3.25Å; Y565-H588 AromaticContact CD1-NE2 3.83Å; Y565-H588 AromaticContact CG-CE1 3.95Å
566	G	96.4	Very high	97.9	Very high	15 Å²	15	29.4 Å²	29.4	16%	0.155	16%	0.157	C	C	.	.	S	Bend	trans	66.6	0.5	173	0	0	0	0	0	116.5
567	N	96.7	Very high	97.9	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.016	15%	0.149	C	C	.	.			trans	-68	147.8	-179.1	-61.7	-62.2	0	0	0	111.8	I541 N543 G544 Y565 Q591	I541-N567 PolarHBondContact O-ND2 3.14Å; N543-N567 PolarHBondContact N-OD1 2.93Å; G544-N567 PolarHBondContact N-OD1 2.81Å; Y565-N567 PolarHBondContact O-N 3.05Å; Y565-N567 PolarHBondContact O-ND2 3.31Å; N567-Q591 PolarHBondContact O-N 2.69Å
568	A	95.9	Very high	98	Very high	27 Å²	27	25.9 Å²	25.9	22%	0.223	15%	0.146	C	C	.	.	S	Bend	trans	-75.1	-33.9	-174	0	0	0	0	0	113.7	G544 Q546	G544-A568 PolarHBondContact O-N 3.1Å; Q546-A568 PolarHBondContact O-N 3.07Å
569	L	96.4	Very high	97.9	Very high	75 Å²	75	26 Å²	26	39%	0.393	15%	0.15	S	C	.	.	S	Bend	trans	-107.9	-166.4	170.8	-56.7	177.8	0	0	0	110.3	Q546	Q546-L569 HydrophobicContact CB-CD1 4.01Å; Q546-L569 HydrophobicContact CG-CD1 4.14Å; Q546-L569 PolarHBondContact O-N 3Å
570	A	97.3	Very high	97.9	Very high	1 Å²	1	26 Å²	26	1%	0.008	15%	0.15	C	C	.	.			trans	-59.3	140.1	-173.1	0	0	0	0	0	112.8	G547 G548 I572 Q573 G593	G547-A570 CarbonylContact C-O 3.26Å; G547-A570 WeakPolarHBondContact CA-O 3.17Å; G548-A570 PolarHBondContact N-O 3.49Å; G548-A570 VanDerWaalsContact N-O 3.16Å; A570-I572 VanDerWaalsContact C-N 3.31Å; A570-I572 PolarHBondContact O-N 2.72Å; A570-Q573 HydrophobicContact CB-CB 4.41Å; A570-G593 WeakPolarHBondContact CA-O 3.42Å; A570-G593 WeakPolarHBondContact CB-O 3.12Å
571	G	97.9	Very high	97.9	Very high	5 Å²	5	27.9 Å²	27.9	5%	0.052	16%	0.16	C	C	.	.	S	Bend	trans	-57.2	-45.8	177.8	0	0	0	0	0	111.6	G548 V549 G594	G548-G571 CarbonylContact C-O 3.58Å; G548-G571 WeakPolarHBondContact CA-O 3.44Å; G548-G571 PolarHBondContact N-O 3.37Å; V549-G571 PolarHBondContact N-O 3.14Å; G571-G594 WeakPolarHBondContact CA-O 3.05Å; G571-G594 PolarHBondContact N-O 2.96Å
572	I	98.7	Very high	97.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.1	166.4	-57.3	179.6	0	0	0	109.9	V549 I559 I564 A570 I574 V582 I587 G594 I595 Y596	V549-I572 HydrophobicContact CB-CG1 4.35Å; V549-I572 CarbonylContact O-C 3.52Å; V549-I572 VanDerWaalsContact O-CA 3.31Å; V549-I572 WeakPolarHBondContact O-CA 3.07Å; I559-I572 HydrophobicContact CG2-CD1 4.02Å; I564-I572 HydrophobicContact CD1-CD1 3.94Å; I564-I572 HydrophobicContact CD1-CG1 3.85Å; A570-I572 VanDerWaalsContact C-N 3.31Å; A570-I572 PolarHBondContact O-N 2.72Å; I572-I574 HydrophobicContact CG2-CD1 4.39Å; I572-I574 HydrophobicContact CG2-CG1 4.05Å; I572-V582 HydrophobicContact CD1-CG1 3.48Å; I572-V582 VanDerWaalsContact CD1-CG1 3.48Å; I572-V582 HydrophobicContact CD1-CG2 4.41Å; I572-I587 HydrophobicContact CD1-CD1 3.58Å; I572-I587 HydrophobicContact CG1-CD1 3.98Å; I572-G594 PolarHBondContact N-O 3.36Å; I572-I595 HydrophobicContact CB-CG1 4.45Å; I572-I595 HydrophobicContact CB-CG2 4.37Å; I572-I595 CarbonylContact O-C 3.55Å; I572-I595 WeakPolarHBondContact O-CA 3.11Å; I572-Y596 PolarHBondContact O-N 2.92Å
573	Q	98.3	Very high	97.9	Very high	25 Å²	25	29.7 Å²	29.7	12%	0.117	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.2	175.1	-170.4	174.3	32.9	0	0	110.8	V549 Y550 I551 A570 Y596 H598	V549-Q573 PolarHBondContact O-N 3.28Å; Y550-Q573 WeakPolarHBondContact CA-O 3.26Å; Y550-Q573 HydrophobicContact CD2-CB 3.69Å; Y550-Q573 HydrophobicContact CD2-CG 3.76Å; Y550-Q573 HydrophobicContact CE2-CB 4.29Å; Y550-Q573 HydrophobicContact CE2-CG 3.83Å; Y550-Q573 VanDerWaalsContact CE2-OE1 3.23Å; Y550-Q573 HydrophobicContact CG-CB 4.29Å; I551-Q573 PolarHBondContact N-O 2.74Å; A570-Q573 HydrophobicContact CB-CB 4.41Å; Q573-Y596 CarbonylContact C-O 3.53Å; Q573-Y596 WeakPolarHBondContact CA-O 3.34Å; Q573-Y596 HydrophobicContact CG-CD1 4.12Å; Q573-H598 WeakPolarHBondContact CG-NE2 3.29Å; Q573-H598 PolarHBondContact NE2-NE2 2.94Å
574	I	98.6	Very high	97.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	121.1	-176.1	-51.2	173.2	0	0	0	108.5	I572 P580 V582 Y596 V597 H598	I572-I574 HydrophobicContact CG2-CD1 4.39Å; I572-I574 HydrophobicContact CG2-CG1 4.05Å; I574-P580 HydrophobicContact CD1-CG 3.65Å; I574-P580 HydrophobicContact CG1-CG 4.06Å; I574-P580 HydrophobicContact CG2-CG 4.14Å; I574-V582 HydrophobicContact CD1-CG2 4.37Å; I574-Y596 PolarHBondContact N-O 2.87Å; I574-V597 HydrophobicContact CB-CG1 4.26Å; I574-V597 HydrophobicContact CB-CG2 4.49Å; I574-V597 HydrophobicContact CD1-CG2 4.28Å; I574-V597 HydrophobicContact CG2-CG1 4.5Å; I574-V597 WeakPolarHBondContact O-CA 3.29Å; I574-H598 PolarHBondContact O-N 2.87Å
575	R	97.6	Very high	97.9	Very high	63 Å²	63	31.7 Å²	31.7	24%	0.238	16%	0.162	C	C	.	.			trans	-143.3	171.8	-178.9	69.6	177.2	-70.3	-177	-3.8	114.5	Y550 I551 F552 S578 H598 E599	Y550-R575 VanDerWaalsContact CE2-CD 3.43Å; Y550-R575 HydrophobicContact CE2-CG 3.89Å; Y550-R575 VanDerWaalsContact OH-CD 3.23Å; Y550-R575 WeakPolarHBondContact OH-CD 3.33Å; Y550-R575 PolarHBondContact OH-NH1 3.06Å; I551-R575 PolarHBondContact O-N 3.27Å; F552-R575 HydrophobicContact CB-CG 3.44Å; F552-R575 VanDerWaalsContact CB-CG 3.44Å; R575-S578 WeakPolarHBondContact O-CB 3.41Å; R575-S578 PolarHBondContact O-N 2.9Å; R575-S578 VanDerWaalsContact O-N 3.14Å; R575-S578 PolarHBondContact O-OG 2.93Å; R575-H598 VanDerWaalsContact CA-O 3.29Å; R575-H598 WeakPolarHBondContact CA-O 3.41Å; R575-H598 WeakPolarHBondContact CD-CE1 3.48Å; R575-H598 PolarHBondContact NE-CE1 3.02Å; R575-H598 PolarHBondContact NH1-CE1 2.93Å; R575-E599 HydrophobicContact CB-CB 4.32Å; R575-E599 IonicContact CZ-OE1 3.74Å; R575-E599 VanDerWaalsContact CZ-OE1 3.31Å; R575-E599 IonicContact CZ-OE2 3.83Å; R575-E599 IonicContact NE-OE1 3.19Å; R575-E599 IonicContact NE-OE2 2.68Å; R575-E599 PolarHBondContact NE-OE2 2.95Å; R575-E599 IonicContact NH2-OE1 3.12Å; R575-E599 PolarHBondContact NH2-OE1 2.94Å; R575-E599 IonicContact NH2-OE2 2.77Å; R575-E599 PolarHBondContact NH2-OE2 3.47Å
576	T	97.4	Very high	97.9	Very high	42 Å²	42	33 Å²	33	26%	0.258	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	62.7	165.9	-39.1	0	0	0	0	111.7	D554 S578 E599	D554-T576 PolarHBondContact N-O 2.87Å; D554-T576 VanDerWaalsContact N-O 3.1Å; T576-S578 PolarHBondContact O-N 2.82Å; T576-E599 VanDerWaalsContact CA-O 3.28Å; T576-E599 WeakPolarHBondContact CA-O 3.46Å; T576-E599 PolarHBondContact N-O 3.1Å; T576-E599 PolarHBondContact OG1-OE2 2.94Å
577	N	97.2	Very high	98	Very high	58 Å²	58	32.2 Å²	32.2	31%	0.31	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	2.9	-177.7	-37.7	-59.5	0	0	0	117	D554 E599 K600	D554-N577 WeakPolarHBondContact OD1-CB 3.45Å; D554-N577 PolarHBondContact OD2-ND2 2.91Å; N577-E599 PolarHBondContact N-O 3.23Å; N577-K600 WeakPolarHBondContact CA-O 3.4Å
578	S	98.5	Very high	98.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.166	C	C	.	.			trans	-58.5	143.5	-178.8	-58	0	0	0	0	112.7	F552 G555 R575 T576 Q602	F552-S578 WeakPolarHBondContact CA-OG 3.41Å; F552-S578 PolarHBondContact N-OG 3.02Å; F552-S578 PolarHBondContact O-OG 3.01Å; G555-S578 PolarHBondContact N-OG 3.05Å; G555-S578 CarbonylContact O-C 3.57Å; G555-S578 VanDerWaalsContact O-CA 3.31Å; G555-S578 WeakPolarHBondContact O-CA 3.36Å; G555-S578 VanDerWaalsContact O-CB 3.31Å; G555-S578 WeakPolarHBondContact O-CB 3.44Å; R575-S578 WeakPolarHBondContact O-CB 3.41Å; R575-S578 PolarHBondContact O-N 2.9Å; R575-S578 VanDerWaalsContact O-N 3.14Å; R575-S578 PolarHBondContact O-OG 2.93Å; T576-S578 PolarHBondContact O-N 2.82Å; S578-Q602 CarbonylContact O-C 3.55Å; S578-Q602 WeakPolarHBondContact O-CA 3.22Å; S578-Q602 PolarHBondContact O-N 2.82Å
579	C	98.2	Very high	98.1	Very high	41 Å²	41	35.9 Å²	35.9	28%	0.277	18%	0.177	S	C	.	.			trans	-138.7	62.8	-170.1	45.3	0	0	0	0	113	G555 Q602	G555-C579 PolarHBondContact O-N 3.01Å; C579-Q602 HydrophobicContact CB-CB 4.21Å
580	P	98.6	Very high	98	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	16%	0.161	C	C	.	.			trans	-75.7	170	178.6	34.9	-39	0	0	0	113.4	I551 I559 I574 V582 G603 V604	I551-P580 HydrophobicContact CD1-CB 3.79Å; I551-P580 HydrophobicContact CD1-CG 3.8Å; I559-P580 HydrophobicContact CD1-CB 3.89Å; I574-P580 HydrophobicContact CD1-CG 3.65Å; I574-P580 HydrophobicContact CG1-CG 4.06Å; I574-P580 HydrophobicContact CG2-CG 4.14Å; P580-V582 HydrophobicContact CB-CG2 4.34Å; P580-V582 HydrophobicContact CG-CG2 4.17Å; P580-G603 WeakPolarHBondContact O-CA 3.47Å; P580-V604 PolarHBondContact O-N 3Å
581	I	98.8	Very high	97.9	Very high	74 Å²	74	38.6 Å²	38.6	38%	0.379	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.1	163.2	-59.4	174.7	0	0	0	107.8	G557 L558 I559	G557-I581 PolarHBondContact O-N 3.01Å; L558-I581 HydrophobicContact CD1-CB 4.02Å; L558-I581 HydrophobicContact CD1-CG2 3.77Å; I559-I581 PolarHBondContact N-O 3.28Å
582	V	98.9	Very high	97.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	107.4	-177.5	178.3	0	0	0	0	108.1	I559 I572 I574 P580 N585 V604 I605 E606 N608	I559-V582 HydrophobicContact CB-CG2 4.34Å; I559-V582 HydrophobicContact CD1-CG2 4.48Å; I559-V582 WeakPolarHBondContact O-CA 3.17Å; I572-V582 HydrophobicContact CD1-CG1 3.48Å; I572-V582 VanDerWaalsContact CD1-CG1 3.48Å; I572-V582 HydrophobicContact CD1-CG2 4.41Å; I574-V582 HydrophobicContact CD1-CG2 4.37Å; P580-V582 HydrophobicContact CB-CG2 4.34Å; P580-V582 HydrophobicContact CG-CG2 4.17Å; V582-N585 WeakPolarHBondContact CG1-ND2 3.26Å; V582-V604 PolarHBondContact N-O 3.25Å; V582-I605 HydrophobicContact CB-CG1 4.34Å; V582-I605 CarbonylContact O-C 3.5Å; V582-I605 WeakPolarHBondContact O-CA 3.48Å; V582-E606 PolarHBondContact O-N 3.17Å; V582-N608 PolarHBondContact O-ND2 2.72Å
583	R	98.8	Very high	97.5	Very high	79 Å²	79	40.2 Å²	40.2	30%	0.298	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	152.4	-177.5	69.7	178	-172.2	-160.4	2.9	117.1	L558 I559 E560 G561 N585 E606 N608	L558-R583 HydrophobicContact CD1-CG 4.33Å; I559-R583 PolarHBondContact O-N 3.37Å; E560-R583 CarbonylContact C-O 3.5Å; E560-R583 VanDerWaalsContact CA-O 3.26Å; E560-R583 WeakPolarHBondContact CA-O 3.36Å; E560-R583 HydrophobicContact CB-CG 4.46Å; E560-R583 HydrophobicContact CG-CG 4.36Å; E560-R583 IonicContact OE1-CZ 3.77Å; E560-R583 IonicContact OE1-NE 2.73Å; E560-R583 PolarHBondContact OE1-NE 3.11Å; E560-R583 IonicContact OE1-NH2 2.77Å; E560-R583 PolarHBondContact OE1-NH2 3.27Å; G561-R583 PolarHBondContact N-O 2.81Å; R583-N585 PolarHBondContact N-ND2 3.31Å; R583-N585 VanDerWaalsContact N-ND2 3.19Å; R583-N585 PolarHBondContact O-N 3.03Å; R583-N585 PolarHBondContact O-ND2 2.99Å; R583-E606 WeakPolarHBondContact CA-O 3.43Å; R583-E606 HydrophobicContact CB-CG 3.78Å; R583-E606 WeakPolarHBondContact CB-O 3.45Å; R583-N608 VanDerWaalsContact C-OD1 3.23Å; R583-N608 VanDerWaalsContact CA-OD1 3.28Å; R583-N608 WeakPolarHBondContact CA-OD1 3.43Å; R583-N608 PolarHBondContact N-OD1 3.06Å
584	H	98.7	Very high	97.5	Very high	93 Å²	93	39 Å²	39	43%	0.431	19%	0.19	S	C	.	.	S	Bend	trans	57.4	11.3	178.8	-50.2	-58.5	0	0	0	115.5	G561 E606 E607 N608	G561-H584 WeakPolarHBondContact CA-O 2.98Å; H584-E606 PolarHBondContact N-O 3.04Å; H584-E607 VanDerWaalsContact CA-O 3.27Å; H584-E607 WeakPolarHBondContact CA-O 3.35Å; H584-E607 IonicContact CE1-OE2 2.75Å; H584-E607 PolarHBondContact CE1-OE2 2.93Å; H584-E607 PolarHBondContact N-O 3.21Å; H584-E607 IonicContact ND1-OE2 2.84Å; H584-N608 PolarHBondContact N-OD1 3.23Å
585	N	98.9	Very high	97.5	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.19	C	C	.	.			trans	-81.5	151.9	-177.7	-52.6	-81.2	0	0	0	111.3	I559 G561 N562 V582 R583 I587 N608 E609	I559-N585 PolarHBondContact O-ND2 3.49Å; G561-N585 PolarHBondContact N-OD1 3.49Å; N562-N585 WeakPolarHBondContact CB-OD1 3.47Å; N562-N585 PolarHBondContact N-OD1 3.12Å; N562-N585 PolarHBondContact ND2-OD1 2.9Å; N562-N585 CarbonylContact O-C 3.52Å; N562-N585 VanDerWaalsContact O-CA 3.3Å; N562-N585 WeakPolarHBondContact O-CA 3.36Å; N562-N585 WeakPolarHBondContact O-CB 3.4Å; V582-N585 WeakPolarHBondContact CG1-ND2 3.26Å; R583-N585 PolarHBondContact N-ND2 3.31Å; R583-N585 VanDerWaalsContact N-ND2 3.19Å; R583-N585 PolarHBondContact O-N 3.03Å; R583-N585 PolarHBondContact O-ND2 2.99Å; N585-I587 HydrophobicContact CB-CD1 4.41Å; N585-I587 HydrophobicContact CB-CG1 4.16Å; N585-N608 WeakPolarHBondContact CB-OD1 3.48Å; N585-N608 PolarHBondContact N-OD1 3.04Å; N585-N608 PolarHBondContact ND2-OD1 3.32Å; N585-N608 WeakPolarHBondContact O-CA 3.33Å; N585-N608 WeakPolarHBondContact O-CB 3.37Å; N585-E609 PolarHBondContact O-N 3.21Å
586	K	98.9	Very high	97.5	Very high	90 Å²	90	38.1 Å²	38.1	39%	0.391	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	131.6	163.7	-64.6	-168.6	174.5	-140.8	0	109.3	N562 D563 I564 E609	N562-K586 PolarHBondContact O-N 3.44Å; D563-K586 WeakPolarHBondContact OD1-CB 3.44Å; I564-K586 PolarHBondContact N-O 3.13Å; K586-E609 WeakPolarHBondContact CA-O 3.48Å; K586-E609 WeakPolarHBondContact CE-OE2 3.49Å; K586-E609 HydrophobicContact CG-CB 4.44Å; K586-E609 IonicContact NZ-OE2 3.79Å; K586-E609 PolarHBondContact NZ-OE2 3.13Å
587	I	98.8	Very high	97.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	96.9	-174.8	-49.4	175.8	0	0	0	108.6	I564 I572 N585 G594 I595 E609 V610 Y611 N613	I564-I587 WeakPolarHBondContact O-CA 3.26Å; I572-I587 HydrophobicContact CD1-CD1 3.58Å; I572-I587 HydrophobicContact CG1-CD1 3.98Å; N585-I587 HydrophobicContact CB-CD1 4.41Å; N585-I587 HydrophobicContact CB-CG1 4.16Å; I587-G594 WeakPolarHBondContact CG2-O 3.37Å; I587-I595 HydrophobicContact CD1-CD1 3.75Å; I587-I595 HydrophobicContact CD1-CG1 3.58Å; I587-E609 PolarHBondContact N-O 3.06Å; I587-V610 HydrophobicContact CB-CG1 4.45Å; I587-V610 HydrophobicContact CB-CG2 4.32Å; I587-V610 HydrophobicContact CD1-CG2 4.36Å; I587-V610 WeakPolarHBondContact O-CA 3.29Å; I587-Y611 PolarHBondContact O-N 2.93Å; I587-N613 PolarHBondContact O-ND2 3.3Å
588	H	98.2	Very high	97.6	Very high	24 Å²	24	34.2 Å²	34.2	11%	0.111	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	164.9	-165.3	68.9	96.3	0	0	0	116.5	D563 I564 Y565 G590 Y611	D563-H588 IonicContact OD1-CD2 3.86Å; D563-H588 IonicContact OD1-NE2 3.72Å; D563-H588 PolarHBondContact OD1-NE2 3.32Å; I564-H588 PolarHBondContact O-N 3.07Å; Y565-H588 WeakPolarHBondContact CA-O 3.46Å; Y565-H588 WeakPolarHBondContact CB-O 3.25Å; Y565-H588 AromaticContact CD1-NE2 3.83Å; Y565-H588 AromaticContact CG-CE1 3.95Å; H588-G590 PolarHBondContact O-N 3.21Å; H588-Y611 WeakPolarHBondContact CA-O 3.45Å; H588-Y611 HydrophobicContact CB-CD1 4Å; H588-Y611 HydrophobicContact CB-CD2 3.59Å; H588-Y611 HydrophobicContact CB-CE1 3.79Å; H588-Y611 HydrophobicContact CB-CE2 3.31Å; H588-Y611 HydrophobicContact CB-CG 3.92Å; H588-Y611 VanDerWaalsContact CB-CZ 3.43Å; H588-Y611 VanDerWaalsContact CB-O 3.26Å; H588-Y611 WeakPolarHBondContact CB-O 3.44Å; H588-Y611 AromaticContact CD2-CZ 3.69Å; H588-Y611 PolarHBondContact CD2-OH 3.1Å; H588-Y611 VanDerWaalsContact CD2-OH 3.26Å; H588-Y611 AromaticContact CG-CE2 3.54Å; H588-Y611 AromaticContact CG-CZ 3.41Å; H588-Y611 VanDerWaalsContact CG-CZ 3.41Å; H588-Y611 AromaticContact ND1-CE2 3.78Å; H588-Y611 AromaticContact ND1-CZ 3.92Å
589	D	96.6	Very high	97.6	Very high	82 Å²	82	37.4 Å²	37.4	44%	0.439	18%	0.179	S	C	.	.	S	Bend	trans	50.8	25.8	176.5	-62.7	-60	0	0	0	114.6	Y611 S612	D589-Y611 PolarHBondContact N-O 3.26Å; D589-S612 WeakPolarHBondContact OD1-CB 3.36Å
590	G	93.8	Very high	97.6	Very high	6 Å²	6	41.5 Å²	41.5	6%	0.062	19%	0.192	C	C	.	.			trans	-74.2	151.6	175.8	0	0	0	0	0	112.7	H588 H592 N613 T614	H588-G590 PolarHBondContact O-N 3.21Å; G590-H592 PolarHBondContact O-N 3.07Å; G590-N613 PolarHBondContact N-OD1 3.06Å; G590-T614 WeakPolarHBondContact O-CB 3.46Å; G590-T614 PolarHBondContact O-N 2.95Å; G590-T614 PolarHBondContact O-OG1 2.77Å
591	Q	94.2	Very high	97.5	Very high	127 Å²	127	41.4 Å²	41.4	59%	0.593	19%	0.191	S	C	*	.	S	Bend	trans	-77.7	-14.9	176.2	-54.2	-177.2	32.9	0	0	112.2	N567 T614	N567-Q591 PolarHBondContact O-N 2.69Å; Q591-T614 WeakPolarHBondContact O-CB 3.41Å
592	H	94.9	Very high	97.5	Very high	38 Å²	38	41.7 Å²	41.7	18%	0.176	19%	0.191	C	C	.	.	S	Bend	trans	-111.9	-158.4	175.3	-160.9	-99.7	0	0	0	110.7	G590 T614 L615	G590-H592 PolarHBondContact O-N 3.07Å; H592-T614 PolarHBondContact O-N 2.7Å; H592-T614 VanDerWaalsContact O-N 3.13Å; H592-L615 VanDerWaalsContact CD2-CD1 3.44Å; H592-L615 WeakPolarHBondContact CD2-CD1 3.22Å; H592-L615 PolarHBondContact O-N 3.24Å
593	G	94.1	Very high	97.4	Very high	2 Å²	2	42.4 Å²	42.4	2%	0.021	20%	0.198	C	C	.	.			trans	-80.3	155.3	169.3	0	0	0	0	0	112.8	A570 A616	A570-G593 WeakPolarHBondContact CA-O 3.42Å; A570-G593 WeakPolarHBondContact CB-O 3.12Å; G593-A616 CarbonylContact C-O 3.56Å; G593-A616 WeakPolarHBondContact CA-O 3.02Å
594	G	97.5	Very high	97.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-65.9	-60.4	-172.3	0	0	0	0	0	113.3	G571 I572 I587 A616 G617	G571-G594 WeakPolarHBondContact CA-O 3.05Å; G571-G594 PolarHBondContact N-O 2.96Å; I572-G594 PolarHBondContact N-O 3.36Å; I587-G594 WeakPolarHBondContact CG2-O 3.37Å; G594-A616 PolarHBondContact N-O 3.29Å; G594-G617 VanDerWaalsContact CA-O 3.27Å; G594-G617 WeakPolarHBondContact CA-O 3.38Å; G594-G617 PolarHBondContact N-O 2.71Å
595	I	98.6	Very high	97.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	131.1	173.2	-51.2	174.7	0	0	0	109.6	I572 I587 V597 I605 V610 G617 V618 W619	I572-I595 HydrophobicContact CB-CG1 4.45Å; I572-I595 HydrophobicContact CB-CG2 4.37Å; I572-I595 CarbonylContact O-C 3.55Å; I572-I595 WeakPolarHBondContact O-CA 3.11Å; I587-I595 HydrophobicContact CD1-CD1 3.75Å; I587-I595 HydrophobicContact CD1-CG1 3.58Å; I595-V597 HydrophobicContact CG2-CG2 4.1Å; I595-I605 HydrophobicContact CD1-CD1 4.48Å; I595-I605 HydrophobicContact CD1-CG2 3.57Å; I595-I605 HydrophobicContact CG2-CD1 4.04Å; I595-V610 HydrophobicContact CD1-CG2 4.37Å; I595-G617 PolarHBondContact N-O 2.75Å; I595-V618 HydrophobicContact CB-CB 4.48Å; I595-V618 HydrophobicContact CB-CG1 4Å; I595-V618 HydrophobicContact CB-CG2 4.09Å; I595-V618 HydrophobicContact CD1-CG2 4.22Å; I595-V618 HydrophobicContact CG1-CG2 4.34Å; I595-V618 HydrophobicContact CG2-CG1 4.4Å; I595-V618 CarbonylContact O-C 3.34Å; I595-V618 WeakPolarHBondContact O-CA 3.46Å; I595-W619 PolarHBondContact O-N 2.7Å
596	Y	98.5	Very high	97.4	Very high	43 Å²	43	37.1 Å²	37.1	17%	0.169	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	112.9	179	-177.2	-147.4	0	0	0	111.8	I572 Q573 I574 H598 W619 T621	I572-Y596 PolarHBondContact O-N 2.92Å; Q573-Y596 CarbonylContact C-O 3.53Å; Q573-Y596 WeakPolarHBondContact CA-O 3.34Å; Q573-Y596 HydrophobicContact CG-CD1 4.12Å; I574-Y596 PolarHBondContact N-O 2.87Å; Y596-H598 AromaticContact CD1-CD2 3.73Å; Y596-H598 HydrophobicContact CE1-CB 4.45Å; Y596-H598 AromaticContact CE1-CD2 3.51Å; Y596-H598 HydrophobicContact CE2-CB 3.99Å; Y596-H598 AromaticContact CZ-CD2 3.84Å; Y596-H598 AromaticContact CZ-CG 3.99Å; Y596-W619 HydrophobicContact CD2-CB 3.89Å; Y596-W619 AromaticContact CD2-CD2 3.96Å; Y596-W619 HydrophobicContact CD2-CD2 3.96Å; Y596-W619 HydrophobicContact CD2-CE3 4.12Å; Y596-W619 AromaticContact CD2-CG 3.88Å; Y596-W619 HydrophobicContact CD2-CG 3.88Å; Y596-W619 HydrophobicContact CE2-CB 4.46Å; Y596-W619 AromaticContact CE2-CD2 3.73Å; Y596-W619 HydrophobicContact CE2-CD2 3.73Å; Y596-W619 HydrophobicContact CE2-CE3 4Å; Y596-W619 AromaticContact CE2-CG 3.95Å; Y596-W619 HydrophobicContact CE2-CG 3.95Å; Y596-T621 HydrophobicContact CE2-CG2 3.59Å
597	V	98.6	Very high	97.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	112.7	-178.2	-165.5	0	0	0	0	109.4	I574 I595 I605 W619 V620 T621 S624 P626	I574-V597 HydrophobicContact CB-CG1 4.26Å; I574-V597 HydrophobicContact CB-CG2 4.49Å; I574-V597 HydrophobicContact CD1-CG2 4.28Å; I574-V597 HydrophobicContact CG2-CG1 4.5Å; I574-V597 WeakPolarHBondContact O-CA 3.29Å; I595-V597 HydrophobicContact CG2-CG2 4.1Å; V597-I605 HydrophobicContact CG2-CD1 4.08Å; V597-W619 PolarHBondContact N-O 2.96Å; V597-V620 CarbonylContact O-C 3.59Å; V597-V620 WeakPolarHBondContact O-CA 3.47Å; V597-T621 PolarHBondContact O-N 2.76Å; V597-S624 PolarHBondContact O-OG 2.9Å; V597-P626 HydrophobicContact CB-CG 4.35Å; V597-P626 HydrophobicContact CG1-CB 4.34Å; V597-P626 HydrophobicContact CG1-CG 4.16Å; V597-P626 HydrophobicContact CG2-CB 4.42Å; V597-P626 HydrophobicContact CG2-CG 4.29Å
598	H	98.1	Very high	97.4	Very high	19 Å²	19	36.7 Å²	36.7	9%	0.088	18%	0.179	C	C	.	.			trans	-137	174.6	-175.6	70.2	101.1	0	0	0	112.6	Y550 Q573 I574 R575 Y596 K600 G601 T621 S624	Y550-H598 AromaticContact CE2-NE2 4Å; Q573-H598 WeakPolarHBondContact CG-NE2 3.29Å; Q573-H598 PolarHBondContact NE2-NE2 2.94Å; I574-H598 PolarHBondContact O-N 2.87Å; R575-H598 VanDerWaalsContact CA-O 3.29Å; R575-H598 WeakPolarHBondContact CA-O 3.41Å; R575-H598 WeakPolarHBondContact CD-CE1 3.48Å; R575-H598 PolarHBondContact NE-CE1 3.02Å; R575-H598 PolarHBondContact NH1-CE1 2.93Å; Y596-H598 AromaticContact CD1-CD2 3.73Å; Y596-H598 HydrophobicContact CE1-CB 4.45Å; Y596-H598 AromaticContact CE1-CD2 3.51Å; Y596-H598 HydrophobicContact CE2-CB 3.99Å; Y596-H598 AromaticContact CZ-CD2 3.84Å; Y596-H598 AromaticContact CZ-CG 3.99Å; H598-K600 PolarHBondContact O-N 2.91Å; H598-G601 WeakPolarHBondContact O-CA 3.34Å; H598-G601 PolarHBondContact O-N 3.33Å; H598-T621 WeakPolarHBondContact CA-O 3.45Å; H598-T621 HydrophobicContact CB-CG2 3.39Å; H598-S624 VanDerWaalsContact CA-OG 3.24Å; H598-S624 WeakPolarHBondContact CA-OG 3.2Å; H598-S624 PolarHBondContact N-OG 2.82Å; H598-S624 PolarHBondContact O-OG 3.12Å
599	E	97.6	Very high	97.4	Very high	66 Å²	66	38.2 Å²	38.2	31%	0.308	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.7	59.5	178.2	-66.9	173.9	-168.4	0	0	114.8	R575 T576 N577 G601	R575-E599 HydrophobicContact CB-CB 4.32Å; R575-E599 IonicContact CZ-OE1 3.74Å; R575-E599 VanDerWaalsContact CZ-OE1 3.31Å; R575-E599 IonicContact CZ-OE2 3.83Å; R575-E599 IonicContact NE-OE1 3.19Å; R575-E599 IonicContact NE-OE2 2.68Å; R575-E599 PolarHBondContact NE-OE2 2.95Å; R575-E599 IonicContact NH2-OE1 3.12Å; R575-E599 PolarHBondContact NH2-OE1 2.94Å; R575-E599 IonicContact NH2-OE2 2.77Å; R575-E599 PolarHBondContact NH2-OE2 3.47Å; T576-E599 VanDerWaalsContact CA-O 3.28Å; T576-E599 WeakPolarHBondContact CA-O 3.46Å; T576-E599 PolarHBondContact N-O 3.1Å; T576-E599 PolarHBondContact OG1-OE2 2.94Å; N577-E599 PolarHBondContact N-O 3.23Å; E599-G601 PolarHBondContact O-N 3.44Å
600	K	97.9	Very high	97.5	Very high	127 Å²	127	34.3 Å²	34.3	55%	0.552	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	24.7	-177.9	-48.8	172.4	-175.9	171.7	0	114.2	N577 H598 Q602 T622 S624	N577-K600 WeakPolarHBondContact CA-O 3.4Å; H598-K600 PolarHBondContact O-N 2.91Å; K600-Q602 VanDerWaalsContact O-CG 3.31Å; K600-Q602 WeakPolarHBondContact O-CG 3.36Å; K600-T622 PolarHBondContact N-O 3.37Å; K600-S624 PolarHBondContact N-OG 3.39Å
601	G	98.3	Very high	97.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.171	C	C	.	.			trans	-59.6	146.1	174.2	0	0	0	0	0	112	H598 E599 S624 T625	H598-G601 WeakPolarHBondContact O-CA 3.34Å; H598-G601 PolarHBondContact O-N 3.33Å; E599-G601 PolarHBondContact O-N 3.44Å; G601-S624 PolarHBondContact N-OG 2.99Å; G601-S624 VanDerWaalsContact N-OG 3.11Å; G601-S624 CarbonylContact O-C 3.6Å; G601-S624 WeakPolarHBondContact O-CA 3.48Å; G601-S624 VanDerWaalsContact O-CB 3.3Å; G601-S624 WeakPolarHBondContact O-CB 3.24Å; G601-T625 PolarHBondContact O-N 3.18Å
602	Q	97.9	Very high	97.8	Very high	80 Å²	80	31.8 Å²	31.8	37%	0.374	15%	0.154	S	C	.	.			trans	-136.3	-158.7	-174.5	-47.3	-171.4	12.8	0	0	109.9	S578 C579 K600	S578-Q602 CarbonylContact O-C 3.55Å; S578-Q602 WeakPolarHBondContact O-CA 3.22Å; S578-Q602 PolarHBondContact O-N 2.82Å; C579-Q602 HydrophobicContact CB-CB 4.21Å; K600-Q602 VanDerWaalsContact O-CG 3.31Å; K600-Q602 WeakPolarHBondContact O-CG 3.36Å
603	G	96.9	Very high	97.9	Very high	15 Å²	15	30.1 Å²	30.1	16%	0.155	15%	0.147	C	C	.	.			trans	108.3	175.6	177.4	0	0	0	0	0	113.4	P580 V627	P580-G603 WeakPolarHBondContact O-CA 3.47Å; G603-V627 PolarHBondContact O-N 2.99Å
604	V	98.7	Very high	98	Very high	40 Å²	40	32.3 Å²	32.3	24%	0.242	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.2	177.9	-179.2	0	0	0	0	108.4	P580 V582 E606	P580-V604 PolarHBondContact O-N 3Å; V582-V604 PolarHBondContact N-O 3.25Å; V604-E606 HydrophobicContact CG1-CB 4.13Å; V604-E606 HydrophobicContact CG1-CG 4.07Å
605	I	98.8	Very high	97.9	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	99.6	176.9	-60.7	165.5	0	0	0	105.9	V582 I595 V597 P626 V627 L628 R629 N631	V582-I605 HydrophobicContact CB-CG1 4.34Å; V582-I605 CarbonylContact O-C 3.5Å; V582-I605 WeakPolarHBondContact O-CA 3.48Å; I595-I605 HydrophobicContact CD1-CD1 4.48Å; I595-I605 HydrophobicContact CD1-CG2 3.57Å; I595-I605 HydrophobicContact CG2-CD1 4.04Å; V597-I605 HydrophobicContact CG2-CD1 4.08Å; I605-P626 HydrophobicContact CD1-CB 4.14Å; I605-V627 PolarHBondContact N-O 2.9Å; I605-L628 HydrophobicContact CB-CG 4.37Å; I605-L628 HydrophobicContact CD1-CG 4.29Å; I605-L628 CarbonylContact O-C 3.55Å; I605-L628 WeakPolarHBondContact O-CA 3.36Å; I605-R629 PolarHBondContact O-N 2.97Å; I605-N631 PolarHBondContact O-ND2 3.26Å
606	E	98.6	Very high	97.8	Very high	20 Å²	20	34.4 Å²	34.4	9%	0.093	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	140.4	-174.6	71	-177.6	142.6	0	0	116.1	V582 R583 H584 V604 N608 R629 R630	V582-E606 PolarHBondContact O-N 3.17Å; R583-E606 WeakPolarHBondContact CA-O 3.43Å; R583-E606 HydrophobicContact CB-CG 3.78Å; R583-E606 WeakPolarHBondContact CB-O 3.45Å; H584-E606 PolarHBondContact N-O 3.04Å; V604-E606 HydrophobicContact CG1-CB 4.13Å; V604-E606 HydrophobicContact CG1-CG 4.07Å; E606-N608 PolarHBondContact N-ND2 2.79Å; E606-N608 PolarHBondContact O-N 3.01Å; E606-N608 VanDerWaalsContact O-N 3.14Å; E606-N608 PolarHBondContact O-ND2 3.18Å; E606-N608 VanDerWaalsContact O-ND2 3.1Å; E606-R629 WeakPolarHBondContact CA-O 3.06Å; E606-R629 HydrophobicContact CB-CG 3.56Å; E606-R629 WeakPolarHBondContact CB-O 3.36Å; E606-R629 VanDerWaalsContact CD-NH2 3.34Å; E606-R629 IonicContact OE1-NH2 3.15Å; E606-R629 PolarHBondContact OE1-NH2 3.01Å; E606-R629 IonicContact OE2-CZ 3.91Å; E606-R629 IonicContact OE2-NE 2.79Å; E606-R629 PolarHBondContact OE2-NE 2.84Å; E606-R629 IonicContact OE2-NH2 3.84Å; E606-R629 PolarHBondContact OE2-NH2 3.45Å; E606-R630 IonicContact OE2-CZ 2.79Å; E606-R630 IonicContact OE2-NH1 3.44Å; E606-R630 IonicContact OE2-NH2 1.81Å; E606-R630 PolarHBondContact OE2-NH2 3.06Å
607	E	98.7	Very high	97.7	Very high	78 Å²	78	32.5 Å²	32.5	36%	0.364	17%	0.165	S	C	.	.	S	Bend	trans	57.4	28.8	173.3	-58.2	-177.5	-152	0	0	114.6	H584 R629 R630 N631	H584-E607 VanDerWaalsContact CA-O 3.27Å; H584-E607 WeakPolarHBondContact CA-O 3.35Å; H584-E607 IonicContact CE1-OE2 2.75Å; H584-E607 PolarHBondContact CE1-OE2 2.93Å; H584-E607 PolarHBondContact N-O 3.21Å; H584-E607 IonicContact ND1-OE2 2.84Å; E607-R629 PolarHBondContact N-O 2.9Å; E607-R629 VanDerWaalsContact N-O 3.08Å; E607-R630 WeakPolarHBondContact CA-O 3.27Å; E607-R630 HydrophobicContact CG-CB 3.72Å; E607-R630 IonicContact OE1-CZ 3.66Å; E607-R630 IonicContact OE1-NE 2.79Å; E607-R630 PolarHBondContact OE1-NE 2.83Å; E607-R630 IonicContact OE1-NH2 2.66Å; E607-R630 PolarHBondContact OE1-NH2 2.93Å; E607-N631 PolarHBondContact N-OD1 3.39Å
608	N	98.9	Very high	97.7	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.016	17%	0.165	C	C	.	.			trans	-90.5	158.1	174.3	-52.8	-84.6	0	0	0	111.9	V582 R583 H584 N585 E606 V610 N631 R632	V582-N608 PolarHBondContact O-ND2 2.72Å; R583-N608 VanDerWaalsContact C-OD1 3.23Å; R583-N608 VanDerWaalsContact CA-OD1 3.28Å; R583-N608 WeakPolarHBondContact CA-OD1 3.43Å; R583-N608 PolarHBondContact N-OD1 3.06Å; H584-N608 PolarHBondContact N-OD1 3.23Å; N585-N608 WeakPolarHBondContact CB-OD1 3.48Å; N585-N608 PolarHBondContact N-OD1 3.04Å; N585-N608 PolarHBondContact ND2-OD1 3.32Å; N585-N608 WeakPolarHBondContact O-CA 3.33Å; N585-N608 WeakPolarHBondContact O-CB 3.37Å; E606-N608 PolarHBondContact N-ND2 2.79Å; E606-N608 PolarHBondContact O-N 3.01Å; E606-N608 VanDerWaalsContact O-N 3.14Å; E606-N608 PolarHBondContact O-ND2 3.18Å; E606-N608 VanDerWaalsContact O-ND2 3.1Å; N608-V610 HydrophobicContact CB-CG2 4.35Å; N608-N631 WeakPolarHBondContact CB-OD1 3.34Å; N608-N631 PolarHBondContact N-OD1 3.04Å; N608-N631 PolarHBondContact ND2-OD1 2.93Å; N608-N631 WeakPolarHBondContact O-CA 3.31Å; N608-R632 PolarHBondContact O-N 2.84Å
609	E	98.8	Very high	97.7	Very high	55 Å²	55	34.3 Å²	34.3	26%	0.257	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	114.6	177.2	-170.4	173.2	-120.9	0	0	108.9	N585 K586 I587 Y611 R632	N585-E609 PolarHBondContact O-N 3.21Å; K586-E609 WeakPolarHBondContact CA-O 3.48Å; K586-E609 WeakPolarHBondContact CE-OE2 3.49Å; K586-E609 HydrophobicContact CG-CB 4.44Å; K586-E609 IonicContact NZ-OE2 3.79Å; K586-E609 PolarHBondContact NZ-OE2 3.13Å; I587-E609 PolarHBondContact N-O 3.06Å; E609-Y611 HydrophobicContact CG-CD1 3.84Å; E609-Y611 HydrophobicContact CG-CE1 3.89Å; E609-R632 WeakPolarHBondContact CA-O 3.39Å
610	V	98.8	Very high	97.8	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	110.3	-168.7	-173.4	0	0	0	0	110.4	I587 I595 N608 G617 R632 I633 H634	I587-V610 HydrophobicContact CB-CG1 4.45Å; I587-V610 HydrophobicContact CB-CG2 4.32Å; I587-V610 HydrophobicContact CD1-CG2 4.36Å; I587-V610 WeakPolarHBondContact O-CA 3.29Å; I595-V610 HydrophobicContact CD1-CG2 4.37Å; N608-V610 HydrophobicContact CB-CG2 4.35Å; V610-G617 WeakPolarHBondContact CG1-O 3.49Å; V610-R632 PolarHBondContact N-O 3.2Å; V610-I633 HydrophobicContact CB-CG1 4.46Å; V610-I633 WeakPolarHBondContact O-CA 3.34Å; V610-H634 PolarHBondContact O-N 3.38Å
611	Y	98.3	Very high	97.8	Very high	46 Å²	46	25.2 Å²	25.2	18%	0.18	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	165	-169.6	62.7	-89.6	0	0	0	116.1	I587 H588 D589 E609 N613 H634	I587-Y611 PolarHBondContact O-N 2.93Å; H588-Y611 WeakPolarHBondContact CA-O 3.45Å; H588-Y611 HydrophobicContact CB-CD1 4Å; H588-Y611 HydrophobicContact CB-CD2 3.59Å; H588-Y611 HydrophobicContact CB-CE1 3.79Å; H588-Y611 HydrophobicContact CB-CE2 3.31Å; H588-Y611 HydrophobicContact CB-CG 3.92Å; H588-Y611 VanDerWaalsContact CB-CZ 3.43Å; H588-Y611 VanDerWaalsContact CB-O 3.26Å; H588-Y611 WeakPolarHBondContact CB-O 3.44Å; H588-Y611 AromaticContact CD2-CZ 3.69Å; H588-Y611 PolarHBondContact CD2-OH 3.1Å; H588-Y611 VanDerWaalsContact CD2-OH 3.26Å; H588-Y611 AromaticContact CG-CE2 3.54Å; H588-Y611 AromaticContact CG-CZ 3.41Å; H588-Y611 VanDerWaalsContact CG-CZ 3.41Å; H588-Y611 AromaticContact ND1-CE2 3.78Å; H588-Y611 AromaticContact ND1-CZ 3.92Å; D589-Y611 PolarHBondContact N-O 3.26Å; E609-Y611 HydrophobicContact CG-CD1 3.84Å; E609-Y611 HydrophobicContact CG-CE1 3.89Å; Y611-N613 PolarHBondContact O-N 3.42Å; Y611-N613 PolarHBondContact O-ND2 3.45Å; Y611-N613 VanDerWaalsContact O-ND2 3.15Å; Y611-H634 WeakPolarHBondContact CA-O 3.33Å; Y611-H634 VanDerWaalsContact CB-CE1 3.44Å; Y611-H634 WeakPolarHBondContact CB-CE1 3.31Å; Y611-H634 VanDerWaalsContact CB-O 3.24Å; Y611-H634 WeakPolarHBondContact CB-O 3.13Å; Y611-H634 AromaticContact CG-CE1 3.81Å
612	S	96.2	Very high	97.7	Very high	33 Å²	33	28 Å²	28	23%	0.231	15%	0.147	C	C	.	.	S	Bend	trans	56.2	-3.4	178.7	-60.1	0	0	0	0	117.8	D589 S635 K637	D589-S612 WeakPolarHBondContact OD1-CB 3.36Å; S612-S635 WeakPolarHBondContact CA-O 3.43Å; S612-S635 PolarHBondContact N-O 3.3Å; S612-K637 WeakPolarHBondContact O-CE 3.4Å
613	N	96.2	Very high	97.7	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.016	14%	0.143	C	C	.	.			trans	-57.2	146.7	177.3	-64.9	-63.4	0	0	0	111.4	I587 G590 Y611 K637	I587-N613 PolarHBondContact O-ND2 3.3Å; G590-N613 PolarHBondContact N-OD1 3.06Å; Y611-N613 PolarHBondContact O-N 3.42Å; Y611-N613 PolarHBondContact O-ND2 3.45Å; Y611-N613 VanDerWaalsContact O-ND2 3.15Å; N613-K637 PolarHBondContact O-N 3.43Å
614	T	95.3	Very high	97.7	Very high	48 Å²	48	24.8 Å²	24.8	29%	0.294	14%	0.136	S	C	.	.	S	Bend	trans	-83.6	-26	-167.4	-59.8	0	0	0	0	113.2	G590 Q591 H592 K637	G590-T614 WeakPolarHBondContact O-CB 3.46Å; G590-T614 PolarHBondContact O-N 2.95Å; G590-T614 PolarHBondContact O-OG1 2.77Å; Q591-T614 WeakPolarHBondContact O-CB 3.41Å; H592-T614 PolarHBondContact O-N 2.7Å; H592-T614 VanDerWaalsContact O-N 3.13Å; T614-K637 HydrophobicContact CG2-CD 4.37Å; T614-K637 PolarHBondContact OG1-NZ 3.42Å
615	L	96	Very high	97.7	Very high	43 Å²	43	25.8 Å²	25.8	23%	0.225	14%	0.142	C	C	.	.	S	Bend	trans	-107.6	-160.9	165.6	-48.2	178.2	0	0	0	110.6	H592	H592-L615 VanDerWaalsContact CD2-CD1 3.44Å; H592-L615 WeakPolarHBondContact CD2-CD1 3.22Å; H592-L615 PolarHBondContact O-N 3.24Å
616	A	96.4	Very high	97.7	Very high	2 Å²	2	25.8 Å²	25.8	2%	0.017	14%	0.142	C	C	.	.			trans	-57.7	141.4	-176.8	0	0	0	0	0	113.3	G593 G594 W619 V639	G593-A616 CarbonylContact C-O 3.56Å; G593-A616 WeakPolarHBondContact CA-O 3.02Å; G594-A616 PolarHBondContact N-O 3.29Å; A616-W619 HydrophobicContact CB-CB 4.42Å; A616-V639 CarbonylContact C-O 3.58Å; A616-V639 WeakPolarHBondContact CA-O 3.07Å; A616-V639 HydrophobicContact CB-CB 4.28Å; A616-V639 WeakPolarHBondContact CB-O 3.18Å
617	G	97.4	Very high	97.7	Very high	3 Å²	3	27 Å²	27	3%	0.031	15%	0.151	C	C	.	.	S	Bend	trans	-58.6	-52.7	-179	0	0	0	0	0	112	G594 I595 V610 V639 G640	G594-G617 VanDerWaalsContact CA-O 3.27Å; G594-G617 WeakPolarHBondContact CA-O 3.38Å; G594-G617 PolarHBondContact N-O 2.71Å; I595-G617 PolarHBondContact N-O 2.75Å; V610-G617 WeakPolarHBondContact CG1-O 3.49Å; G617-V639 PolarHBondContact N-O 2.97Å; G617-G640 CarbonylContact C-O 3.58Å; G617-G640 WeakPolarHBondContact CA-O 3.46Å; G617-G640 PolarHBondContact N-O 3.19Å
618	V	98.6	Very high	97.7	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	130.8	165.5	-173.4	0	0	0	0	110.6	I595 V620 L628 I633 G640 V641 Y642	I595-V618 HydrophobicContact CB-CB 4.48Å; I595-V618 HydrophobicContact CB-CG1 4Å; I595-V618 HydrophobicContact CB-CG2 4.09Å; I595-V618 HydrophobicContact CD1-CG2 4.22Å; I595-V618 HydrophobicContact CG1-CG2 4.34Å; I595-V618 HydrophobicContact CG2-CG1 4.4Å; I595-V618 CarbonylContact O-C 3.34Å; I595-V618 WeakPolarHBondContact O-CA 3.46Å; V618-V620 HydrophobicContact CG1-CG2 4.28Å; V618-L628 HydrophobicContact CB-CD2 4.09Å; V618-L628 HydrophobicContact CG1-CD2 3.76Å; V618-L628 HydrophobicContact CG2-CD2 4.25Å; V618-I633 HydrophobicContact CG2-CD1 3.88Å; V618-G640 PolarHBondContact N-O 3.11Å; V618-V641 CarbonylContact O-C 3.06Å; V618-V641 WeakPolarHBondContact O-CA 3.37Å; V618-Y642 PolarHBondContact O-N 3.2Å
619	W	98	Very high	97.7	Very high	55 Å²	55	26.6 Å²	26.6	21%	0.208	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125.8	178.4	-174.9	3.8	0	0	0	109.8	I595 Y596 V597 A616 Y642 Y644	I595-W619 PolarHBondContact O-N 2.7Å; Y596-W619 HydrophobicContact CD2-CB 3.89Å; Y596-W619 AromaticContact CD2-CD2 3.96Å; Y596-W619 HydrophobicContact CD2-CD2 3.96Å; Y596-W619 HydrophobicContact CD2-CE3 4.12Å; Y596-W619 AromaticContact CD2-CG 3.88Å; Y596-W619 HydrophobicContact CD2-CG 3.88Å; Y596-W619 HydrophobicContact CE2-CB 4.46Å; Y596-W619 AromaticContact CE2-CD2 3.73Å; Y596-W619 HydrophobicContact CE2-CD2 3.73Å; Y596-W619 HydrophobicContact CE2-CE3 4Å; Y596-W619 AromaticContact CE2-CG 3.95Å; Y596-W619 HydrophobicContact CE2-CG 3.95Å; V597-W619 PolarHBondContact N-O 2.96Å; A616-W619 HydrophobicContact CB-CB 4.42Å; W619-Y642 WeakPolarHBondContact CA-O 3.3Å; W619-Y642 AromaticContact CD1-CD1 3.5Å; W619-Y642 VanDerWaalsContact CD1-CD1 3.5Å; W619-Y642 HydrophobicContact CD2-CD1 4.07Å; W619-Y642 HydrophobicContact CD2-CE1 4.46Å; W619-Y642 AromaticContact CE2-CD1 3.84Å; W619-Y642 AromaticContact CE2-CE1 3.82Å; W619-Y642 AromaticContact CG-CD1 3.89Å; W619-Y642 HydrophobicContact CG-CD1 3.89Å; W619-Y642 HydrophobicContact CZ2-CE1 4.14Å; W619-Y642 AromaticContact NE1-CD1 3.49Å; W619-Y642 AromaticContact NE1-CE1 3.6Å; W619-Y644 HydrophobicContact CZ2-CD1 4.42Å
620	V	98.6	Very high	97.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.9	-179.6	-174.3	0	0	0	0	109.1	V597 V618 P626 Y642 F643 Y644	V597-V620 CarbonylContact O-C 3.59Å; V597-V620 WeakPolarHBondContact O-CA 3.47Å; V618-V620 HydrophobicContact CG1-CG2 4.28Å; V620-P626 HydrophobicContact CB-CG 4.45Å; V620-P626 HydrophobicContact CG1-CG 3.76Å; V620-P626 HydrophobicContact CG2-CG 3.76Å; V620-Y642 PolarHBondContact N-O 2.99Å; V620-F643 HydrophobicContact CB-CD1 3.73Å; V620-F643 HydrophobicContact CB-CE1 3.91Å; V620-F643 HydrophobicContact CG1-CD1 4.04Å; V620-F643 HydrophobicContact CG1-CE1 4.15Å; V620-F643 HydrophobicContact CG2-CD1 4.23Å; V620-F643 HydrophobicContact CG2-CE1 3.92Å; V620-F643 WeakPolarHBondContact O-CA 3.09Å; V620-Y644 PolarHBondContact O-N 3.09Å
621	T	98.1	Very high	97.7	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.018	15%	0.152	C	C	.	.			trans	-147.1	165	-173.4	-167.8	0	0	0	0	113.9	Y596 V597 H598 G623 S624 Y644	Y596-T621 HydrophobicContact CE2-CG2 3.59Å; V597-T621 PolarHBondContact O-N 2.76Å; H598-T621 WeakPolarHBondContact CA-O 3.45Å; H598-T621 HydrophobicContact CB-CG2 3.39Å; T621-G623 PolarHBondContact O-N 3.2Å; T621-S624 WeakPolarHBondContact O-CB 3.35Å; T621-S624 PolarHBondContact O-N 3.11Å; T621-S624 PolarHBondContact O-OG 3.28Å; T621-Y644 VanDerWaalsContact CA-O 3.31Å; T621-Y644 WeakPolarHBondContact CA-O 3.44Å; T621-Y644 WeakPolarHBondContact OG1-CD1 3.31Å
622	T	97	Very high	97.7	Very high	58 Å²	58	32.8 Å²	32.8	36%	0.356	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	58.1	163.1	-47.8	0	0	0	0	112.3	K600 S624 D645	K600-T622 PolarHBondContact N-O 3.37Å; T622-S624 VanDerWaalsContact C-N 3.29Å; T622-S624 PolarHBondContact O-N 3.41Å; T622-D645 WeakPolarHBondContact CA-O 3.16Å; T622-D645 WeakPolarHBondContact CA-OD2 3.28Å; T622-D645 WeakPolarHBondContact CB-OD2 3.13Å; T622-D645 PolarHBondContact N-O 3.16Å; T622-D645 PolarHBondContact OG1-OD2 2.95Å
623	G	96.6	Very high	97.8	Very high	28 Å²	28	31.2 Å²	31.2	29%	0.289	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	10.4	176.8	0	0	0	0	0	115.6	T621 N646	T621-G623 PolarHBondContact O-N 3.2Å; G623-N646 VanDerWaalsContact CA-O 3.27Å; G623-N646 WeakPolarHBondContact CA-O 3.46Å; G623-N646 PolarHBondContact N-O 2.69Å
624	S	98.4	Very high	97.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.			trans	-72	145.1	-178.7	-61	0	0	0	0	113.3	V597 H598 K600 G601 T621 T622 H648	V597-S624 PolarHBondContact O-OG 2.9Å; H598-S624 VanDerWaalsContact CA-OG 3.24Å; H598-S624 WeakPolarHBondContact CA-OG 3.2Å; H598-S624 PolarHBondContact N-OG 2.82Å; H598-S624 PolarHBondContact O-OG 3.12Å; K600-S624 PolarHBondContact N-OG 3.39Å; G601-S624 PolarHBondContact N-OG 2.99Å; G601-S624 VanDerWaalsContact N-OG 3.11Å; G601-S624 CarbonylContact O-C 3.6Å; G601-S624 WeakPolarHBondContact O-CA 3.48Å; G601-S624 VanDerWaalsContact O-CB 3.3Å; G601-S624 WeakPolarHBondContact O-CB 3.24Å; T621-S624 WeakPolarHBondContact O-CB 3.35Å; T621-S624 PolarHBondContact O-N 3.11Å; T621-S624 PolarHBondContact O-OG 3.28Å; T622-S624 VanDerWaalsContact C-N 3.29Å; T622-S624 PolarHBondContact O-N 3.41Å; S624-H648 CarbonylContact O-C 3.59Å; S624-H648 WeakPolarHBondContact O-CA 3.18Å; S624-H648 WeakPolarHBondContact O-CB 3.33Å; S624-H648 PolarHBondContact O-N 3.06Å
625	T	98.3	Very high	97.9	Very high	61 Å²	61	32.4 Å²	32.4	37%	0.374	16%	0.163	S	C	.	.			trans	-134.6	57.2	-175.3	59.6	0	0	0	0	113.4	G601 H648	G601-T625 PolarHBondContact O-N 3.18Å; T625-H648 HydrophobicContact CG2-CB 3.81Å
626	P	98.5	Very high	97.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.154	C	C	.	.			trans	-70.9	161.5	174.9	31.4	-36.5	0	0	0	112.9	V597 I605 V620 L628 G649 V650	V597-P626 HydrophobicContact CB-CG 4.35Å; V597-P626 HydrophobicContact CG1-CB 4.34Å; V597-P626 HydrophobicContact CG1-CG 4.16Å; V597-P626 HydrophobicContact CG2-CB 4.42Å; V597-P626 HydrophobicContact CG2-CG 4.29Å; I605-P626 HydrophobicContact CD1-CB 4.14Å; V620-P626 HydrophobicContact CB-CG 4.45Å; V620-P626 HydrophobicContact CG1-CG 3.76Å; V620-P626 HydrophobicContact CG2-CG 3.76Å; P626-L628 HydrophobicContact CB-CD1 3.83Å; P626-L628 HydrophobicContact CG-CD1 3.65Å; P626-G649 WeakPolarHBondContact O-CA 3.36Å; P626-V650 PolarHBondContact O-N 3.22Å
627	V	98.8	Very high	97.3	Very high	45 Å²	45	35.1 Å²	35.1	27%	0.273	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	109.9	168.6	177.9	0	0	0	0	108.9	G603 I605 V650	G603-V627 PolarHBondContact O-N 2.99Å; I605-V627 PolarHBondContact N-O 2.9Å; V627-V650 HydrophobicContact CG1-CB 4.36Å; V627-V650 HydrophobicContact CG2-CB 4.41Å
628	L	98.8	Very high	97.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	115.5	178.8	-66.3	80.4	0	0	0	109.2	I605 V618 P626 V641 V650 L651 E652 N654	I605-L628 HydrophobicContact CB-CG 4.37Å; I605-L628 HydrophobicContact CD1-CG 4.29Å; I605-L628 CarbonylContact O-C 3.55Å; I605-L628 WeakPolarHBondContact O-CA 3.36Å; V618-L628 HydrophobicContact CB-CD2 4.09Å; V618-L628 HydrophobicContact CG1-CD2 3.76Å; V618-L628 HydrophobicContact CG2-CD2 4.25Å; P626-L628 HydrophobicContact CB-CD1 3.83Å; P626-L628 HydrophobicContact CG-CD1 3.65Å; L628-V641 HydrophobicContact CD2-CG1 4.31Å; L628-V650 PolarHBondContact N-O 2.96Å; L628-L651 HydrophobicContact CB-CD1 3.74Å; L628-L651 HydrophobicContact CD2-CD1 3.93Å; L628-L651 HydrophobicContact CG-CD1 4.43Å; L628-L651 WeakPolarHBondContact O-CA 3.36Å; L628-E652 PolarHBondContact O-N 2.94Å; L628-N654 PolarHBondContact O-ND2 2.87Å
629	R	98.6	Very high	97.1	Very high	73 Å²	73	38.8 Å²	38.8	28%	0.275	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	141.4	-179.8	68.9	-172.1	-170.9	-171.8	-4	116.9	I605 E606 E607 N631 E652 N654	I605-R629 PolarHBondContact O-N 2.97Å; E606-R629 WeakPolarHBondContact CA-O 3.06Å; E606-R629 HydrophobicContact CB-CG 3.56Å; E606-R629 WeakPolarHBondContact CB-O 3.36Å; E606-R629 VanDerWaalsContact CD-NH2 3.34Å; E606-R629 IonicContact OE1-NH2 3.15Å; E606-R629 PolarHBondContact OE1-NH2 3.01Å; E606-R629 IonicContact OE2-CZ 3.91Å; E606-R629 IonicContact OE2-NE 2.79Å; E606-R629 PolarHBondContact OE2-NE 2.84Å; E606-R629 IonicContact OE2-NH2 3.84Å; E606-R629 PolarHBondContact OE2-NH2 3.45Å; E607-R629 PolarHBondContact N-O 2.9Å; E607-R629 VanDerWaalsContact N-O 3.08Å; R629-N631 PolarHBondContact N-ND2 3.04Å; R629-N631 VanDerWaalsContact N-ND2 3.1Å; R629-N631 PolarHBondContact O-N 2.94Å; R629-N631 PolarHBondContact O-ND2 2.92Å; R629-E652 WeakPolarHBondContact CA-O 3.5Å; R629-E652 HydrophobicContact CB-CG 3.38Å; R629-E652 WeakPolarHBondContact CD-OE1 3.15Å; R629-N654 WeakPolarHBondContact CA-OD1 3.13Å; R629-N654 PolarHBondContact N-OD1 2.84Å
630	R	98.6	Very high	97.1	Very high	102 Å²	102	36.1 Å²	36.1	39%	0.385	18%	0.181	S	C	.	.	S	Bend	trans	56	19.7	177	-55.1	-172.4	-60.1	-68.8	-0.8	114.9	E606 E607 E652 D653 N654	E606-R630 IonicContact OE2-CZ 2.79Å; E606-R630 IonicContact OE2-NH1 3.44Å; E606-R630 IonicContact OE2-NH2 1.81Å; E606-R630 PolarHBondContact OE2-NH2 3.06Å; E607-R630 WeakPolarHBondContact CA-O 3.27Å; E607-R630 HydrophobicContact CG-CB 3.72Å; E607-R630 IonicContact OE1-CZ 3.66Å; E607-R630 IonicContact OE1-NE 2.79Å; E607-R630 PolarHBondContact OE1-NE 2.83Å; E607-R630 IonicContact OE1-NH2 2.66Å; E607-R630 PolarHBondContact OE1-NH2 2.93Å; R630-E652 PolarHBondContact N-O 2.93Å; R630-D653 VanDerWaalsContact CA-O 3.24Å; R630-D653 WeakPolarHBondContact CA-O 3.33Å; R630-D653 HydrophobicContact CG-CB 4.17Å; R630-D653 PolarHBondContact N-O 2.89Å; R630-N654 PolarHBondContact N-OD1 2.81Å
631	N	98.8	Very high	97.1	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.181	C	C	.	.			trans	-81.4	157.4	176.4	-54.3	-82.2	0	0	0	110.8	I605 E607 N608 R629 I633 N654 D655	I605-N631 PolarHBondContact O-ND2 3.26Å; E607-N631 PolarHBondContact N-OD1 3.39Å; N608-N631 WeakPolarHBondContact CB-OD1 3.34Å; N608-N631 PolarHBondContact N-OD1 3.04Å; N608-N631 PolarHBondContact ND2-OD1 2.93Å; N608-N631 WeakPolarHBondContact O-CA 3.31Å; R629-N631 PolarHBondContact N-ND2 3.04Å; R629-N631 VanDerWaalsContact N-ND2 3.1Å; R629-N631 PolarHBondContact O-N 2.94Å; R629-N631 PolarHBondContact O-ND2 2.92Å; N631-I633 HydrophobicContact CB-CD1 4.3Å; N631-I633 HydrophobicContact CB-CG1 4.1Å; N631-N654 WeakPolarHBondContact CB-OD1 3.17Å; N631-N654 PolarHBondContact N-OD1 2.9Å; N631-N654 PolarHBondContact ND2-OD1 3.41Å; N631-D655 PolarHBondContact O-N 2.89Å
632	R	98.8	Very high	97.1	Very high	130 Å²	130	37.3 Å²	37.3	49%	0.491	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	115.2	168.1	-62.2	-179.4	179.3	-148.4	-5.6	108.3	N608 E609 V610 D655	N608-R632 PolarHBondContact O-N 2.84Å; E609-R632 WeakPolarHBondContact CA-O 3.39Å; V610-R632 PolarHBondContact N-O 3.2Å; R632-D655 WeakPolarHBondContact CA-O 2.99Å
633	I	98.6	Very high	97.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	103	-174.8	-54.2	172.2	0	0	0	107.1	V610 V618 N631 G640 V641 D655 I656 Y657 H659	V610-I633 HydrophobicContact CB-CG1 4.46Å; V610-I633 WeakPolarHBondContact O-CA 3.34Å; V618-I633 HydrophobicContact CG2-CD1 3.88Å; N631-I633 HydrophobicContact CB-CD1 4.3Å; N631-I633 HydrophobicContact CB-CG1 4.1Å; I633-G640 WeakPolarHBondContact CG2-O 3.38Å; I633-V641 HydrophobicContact CD1-CG2 3.56Å; I633-D655 PolarHBondContact N-O 2.78Å; I633-I656 VanDerWaalsContact O-CA 3.29Å; I633-I656 WeakPolarHBondContact O-CA 3.09Å; I633-Y657 PolarHBondContact O-N 3.44Å; I633-Y657 VanDerWaalsContact O-N 3.07Å; I633-H659 PolarHBondContact O-NE2 3.05Å
634	H	97.9	Very high	97.1	Very high	21 Å²	21	36.7 Å²	36.7	10%	0.097	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	169.4	-166.4	66.7	85.4	0	0	0	115.5	V610 Y611 G636 Y657 H659	V610-H634 PolarHBondContact O-N 3.38Å; Y611-H634 WeakPolarHBondContact CA-O 3.33Å; Y611-H634 VanDerWaalsContact CB-CE1 3.44Å; Y611-H634 WeakPolarHBondContact CB-CE1 3.31Å; Y611-H634 VanDerWaalsContact CB-O 3.24Å; Y611-H634 WeakPolarHBondContact CB-O 3.13Å; Y611-H634 AromaticContact CG-CE1 3.81Å; H634-G636 PolarHBondContact O-N 2.9Å; H634-Y657 CarbonylContact C-O 3.6Å; H634-Y657 WeakPolarHBondContact CA-O 3.26Å; H634-Y657 HydrophobicContact CB-CD1 3.81Å; H634-Y657 HydrophobicContact CB-CD2 3.59Å; H634-Y657 HydrophobicContact CB-CE1 3.65Å; H634-Y657 HydrophobicContact CB-CE2 3.4Å; H634-Y657 VanDerWaalsContact CB-CE2 3.4Å; H634-Y657 HydrophobicContact CB-CG 3.78Å; H634-Y657 VanDerWaalsContact CB-CZ 3.43Å; H634-Y657 VanDerWaalsContact CB-O 3.24Å; H634-Y657 WeakPolarHBondContact CB-O 3.46Å; H634-Y657 AromaticContact CD2-CZ 3.63Å; H634-Y657 PolarHBondContact CD2-OH 3.35Å; H634-Y657 VanDerWaalsContact CD2-OH 3.28Å; H634-Y657 AromaticContact CG-CE2 3.66Å; H634-Y657 AromaticContact CG-CZ 3.46Å; H634-Y657 VanDerWaalsContact CG-CZ 3.46Å; H634-H659 VanDerWaalsContact CA-CE1 3.47Å; H634-H659 WeakPolarHBondContact CA-CE1 3.38Å; H634-H659 WeakPolarHBondContact CA-NE2 3.34Å
635	S	95	Very high	97	Very high	54 Å²	54	38.9 Å²	38.9	38%	0.378	18%	0.18	S	C	.	.	S	Bend	trans	54.4	29.7	172.8	-50.3	0	0	0	0	114.3	S612 Y657 N658	S612-S635 WeakPolarHBondContact CA-O 3.43Å; S612-S635 PolarHBondContact N-O 3.3Å; S635-Y657 PolarHBondContact N-O 3Å; S635-Y657 VanDerWaalsContact N-O 3.1Å; S635-N658 VanDerWaalsContact CA-O 3.29Å; S635-N658 WeakPolarHBondContact CA-O 3.31Å; S635-N658 PolarHBondContact N-O 3.01Å
636	G	89.9	Confident	96.9	Very high	4 Å²	4	39.5 Å²	39.5	4%	0.041	18%	0.181	C	C	.	.			trans	-84.4	145.4	-178	0	0	0	0	0	112.5	H634 Q638 H659 M660	H634-G636 PolarHBondContact O-N 2.9Å; G636-Q638 PolarHBondContact O-N 3.03Å; G636-H659 WeakPolarHBondContact CA-ND1 3.32Å; G636-H659 PolarHBondContact N-ND1 2.88Å; G636-H659 VanDerWaalsContact N-ND1 3.18Å; G636-M660 PolarHBondContact O-N 2.9Å
637	K	90.9	Very high	96.9	Very high	99 Å²	99	39.5 Å²	39.5	43%	0.43	18%	0.181	S	C	.	.	S	Bend	trans	-74.6	-8.9	177.6	-55.2	-178.2	-159.4	154.8	0	113.2	S612 N613 T614 M660	S612-K637 WeakPolarHBondContact O-CE 3.4Å; N613-K637 PolarHBondContact O-N 3.43Å; T614-K637 HydrophobicContact CG2-CD 4.37Å; T614-K637 PolarHBondContact OG1-NZ 3.42Å; K637-M660 HydrophobicContact CB-SD 4.48Å
638	Q	94.5	Very high	96.8	Very high	71 Å²	71	40.1 Å²	40.1	33%	0.332	18%	0.18	S	C	.	.	S	Bend	trans	-128.7	-129.9	173.7	-67.6	-169.7	-9.3	0	0	112.1	G636 Y661	G636-Q638 PolarHBondContact O-N 3.03Å; Q638-Y661 HydrophobicContact CB-CD2 4.38Å; Q638-Y661 HydrophobicContact CG-CE2 4.4Å; Q638-Y661 PolarHBondContact O-N 3.15Å; Q638-Y661 VanDerWaalsContact O-N 3.1Å
639	V	96.3	Very high	96.7	Very high	9 Å²	9	40.8 Å²	40.8	6%	0.055	19%	0.188	C	C	.	.			trans	-88.4	145.2	-176.2	174	0	0	0	0	110.2	A616 G617 V641 S662 Q665	A616-V639 CarbonylContact C-O 3.58Å; A616-V639 WeakPolarHBondContact CA-O 3.07Å; A616-V639 HydrophobicContact CB-CB 4.28Å; A616-V639 WeakPolarHBondContact CB-O 3.18Å; G617-V639 PolarHBondContact N-O 2.97Å; V639-V641 WeakPolarHBondContact CG1-O 3.42Å; V639-S662 WeakPolarHBondContact CA-O 3.39Å; V639-Q665 HydrophobicContact CG1-CB 4.04Å; V639-Q665 HydrophobicContact CG1-CG 3.79Å; V639-Q665 HydrophobicContact CG2-CG 3.84Å
640	G	97.4	Very high	96.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-65	-64.7	174.9	0	0	0	0	0	112.7	G617 V618 I633 H659 S662 G663	G617-G640 CarbonylContact C-O 3.58Å; G617-G640 WeakPolarHBondContact CA-O 3.46Å; G617-G640 PolarHBondContact N-O 3.19Å; V618-G640 PolarHBondContact N-O 3.11Å; I633-G640 WeakPolarHBondContact CG2-O 3.38Å; G640-H659 VanDerWaalsContact CA-CE1 3.47Å; G640-H659 WeakPolarHBondContact CA-CE1 3.26Å; G640-H659 WeakPolarHBondContact CA-NE2 3.44Å; G640-S662 PolarHBondContact N-O 2.7Å; G640-G663 CarbonylContact C-O 3.5Å; G640-G663 WeakPolarHBondContact CA-O 3.31Å; G640-G663 PolarHBondContact N-O 2.71Å
641	V	98.5	Very high	96.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	127.1	174.5	-174.8	0	0	0	0	111	V618 L628 I633 V639 F643 L651 I656 G663 V664 Q665	V618-V641 CarbonylContact O-C 3.06Å; V618-V641 WeakPolarHBondContact O-CA 3.37Å; L628-V641 HydrophobicContact CD2-CG1 4.31Å; I633-V641 HydrophobicContact CD1-CG2 3.56Å; V639-V641 WeakPolarHBondContact CG1-O 3.42Å; V641-F643 HydrophobicContact CG1-CD2 4.21Å; V641-F643 HydrophobicContact CG1-CE2 3.53Å; V641-F643 HydrophobicContact CG1-CZ 3.87Å; V641-L651 HydrophobicContact CB-CD2 4.36Å; V641-L651 HydrophobicContact CG1-CD1 4.43Å; V641-L651 HydrophobicContact CG1-CD2 4.33Å; V641-L651 HydrophobicContact CG2-CD1 4.14Å; V641-L651 HydrophobicContact CG2-CD2 4.41Å; V641-I656 HydrophobicContact CG2-CD1 3.91Å; V641-G663 PolarHBondContact N-O 2.73Å; V641-V664 HydrophobicContact CB-CG2 4.36Å; V641-V664 CarbonylContact O-C 3.57Å; V641-V664 VanDerWaalsContact O-CA 3.26Å; V641-V664 WeakPolarHBondContact O-CA 3.44Å; V641-Q665 PolarHBondContact O-N 3.15Å
642	Y	98.2	Very high	96.7	Very high	28 Å²	28	34.9 Å²	34.9	11%	0.11	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	116.8	-174	-178.8	-151	0	0	0	111.9	V618 W619 V620 Q665 R667	V618-Y642 PolarHBondContact O-N 3.2Å; W619-Y642 WeakPolarHBondContact CA-O 3.3Å; W619-Y642 AromaticContact CD1-CD1 3.5Å; W619-Y642 VanDerWaalsContact CD1-CD1 3.5Å; W619-Y642 HydrophobicContact CD2-CD1 4.07Å; W619-Y642 HydrophobicContact CD2-CE1 4.46Å; W619-Y642 AromaticContact CE2-CD1 3.84Å; W619-Y642 AromaticContact CE2-CE1 3.82Å; W619-Y642 AromaticContact CG-CD1 3.89Å; W619-Y642 HydrophobicContact CG-CD1 3.89Å; W619-Y642 HydrophobicContact CZ2-CE1 4.14Å; W619-Y642 AromaticContact NE1-CD1 3.49Å; W619-Y642 AromaticContact NE1-CE1 3.6Å; V620-Y642 PolarHBondContact N-O 2.99Å; Y642-Q665 HydrophobicContact CD2-CB 3.75Å; Y642-Q665 HydrophobicContact CE2-CB 4.28Å; Y642-R667 HydrophobicContact CE2-CG 4.22Å; Y642-R667 PolarHBondContact OH-NE 2.96Å; Y642-R667 PolarHBondContact OH-NH1 2.67Å; Y642-R667 PolarHBondContact OH-NH2 3.25Å
643	F	98.5	Very high	96.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	115.9	172	-61.6	-87.2	0	0	0	110.2	V620 V641 H648 L651 V664 Q665 I666 R667 S670 P672	V620-F643 HydrophobicContact CB-CD1 3.73Å; V620-F643 HydrophobicContact CB-CE1 3.91Å; V620-F643 HydrophobicContact CG1-CD1 4.04Å; V620-F643 HydrophobicContact CG1-CE1 4.15Å; V620-F643 HydrophobicContact CG2-CD1 4.23Å; V620-F643 HydrophobicContact CG2-CE1 3.92Å; V620-F643 WeakPolarHBondContact O-CA 3.09Å; V641-F643 HydrophobicContact CG1-CD2 4.21Å; V641-F643 HydrophobicContact CG1-CE2 3.53Å; V641-F643 HydrophobicContact CG1-CZ 3.87Å; F643-H648 WeakPolarHBondContact CE1-O 3.15Å; F643-L651 HydrophobicContact CE2-CD2 4.34Å; F643-L651 HydrophobicContact CZ-CB 4.46Å; F643-V664 HydrophobicContact CD2-CG1 4.3Å; F643-V664 HydrophobicContact CE2-CG1 4.3Å; F643-Q665 PolarHBondContact N-O 2.67Å; F643-I666 HydrophobicContact CB-CG2 4.46Å; F643-I666 HydrophobicContact CD2-CG1 4.5Å; F643-R667 PolarHBondContact O-N 2.93Å; F643-S670 PolarHBondContact O-OG 3.07Å; F643-P672 HydrophobicContact CB-CG 4.39Å; F643-P672 HydrophobicContact CD1-CB 3.81Å; F643-P672 HydrophobicContact CD1-CG 4.18Å; F643-P672 HydrophobicContact CD2-CB 4Å; F643-P672 HydrophobicContact CD2-CG 3.72Å; F643-P672 HydrophobicContact CE1-CB 3.66Å; F643-P672 HydrophobicContact CE1-CG 4.41Å; F643-P672 HydrophobicContact CE2-CB 3.83Å; F643-P672 HydrophobicContact CE2-CG 3.95Å; F643-P672 HydrophobicContact CG-CB 3.98Å; F643-P672 HydrophobicContact CG-CG 3.84Å; F643-P672 HydrophobicContact CZ-CB 3.67Å; F643-P672 HydrophobicContact CZ-CG 4.3Å
644	Y	96.5	Very high	96.7	Very high	73 Å²	73	31.4 Å²	31.4	29%	0.286	16%	0.161	S	C	.	.			trans	-127.9	160.2	-176.8	178.7	-124.4	0	0	0	111	W619 V620 T621 N646 G647 R667 S670	W619-Y644 HydrophobicContact CZ2-CD1 4.42Å; V620-Y644 PolarHBondContact O-N 3.09Å; T621-Y644 VanDerWaalsContact CA-O 3.31Å; T621-Y644 WeakPolarHBondContact CA-O 3.44Å; T621-Y644 WeakPolarHBondContact OG1-CD1 3.31Å; Y644-N646 PolarHBondContact O-N 3.34Å; Y644-G647 WeakPolarHBondContact O-CA 3.44Å; Y644-G647 PolarHBondContact O-N 2.75Å; Y644-R667 HydrophobicContact CD2-CG 3.72Å; Y644-R667 VanDerWaalsContact CD2-NE 3.28Å; Y644-R667 HydrophobicContact CE2-CG 4.39Å; Y644-S670 VanDerWaalsContact C-OG 3.25Å; Y644-S670 WeakPolarHBondContact CA-OG 3.4Å; Y644-S670 PolarHBondContact N-OG 3.17Å; Y644-S670 PolarHBondContact O-OG 3.15Å
645	D	96.3	Very high	96.7	Very high	45 Å²	45	32.8 Å²	32.8	24%	0.241	17%	0.169	C	C	.	.	S	Bend	trans	36.4	74.8	173	172.9	37.8	0	0	0	113.9	T622 G647	T622-D645 WeakPolarHBondContact CA-O 3.16Å; T622-D645 WeakPolarHBondContact CA-OD2 3.28Å; T622-D645 WeakPolarHBondContact CB-OD2 3.13Å; T622-D645 PolarHBondContact N-O 3.16Å; T622-D645 PolarHBondContact OG1-OD2 2.95Å; D645-G647 PolarHBondContact O-N 3.41Å
646	N	96.7	Very high	96.9	Very high	74 Å²	74	30.2 Å²	30.2	40%	0.396	15%	0.151	S	C	.	.	S	Bend	trans	56.2	40.1	-178.5	-51.1	-85.4	0	0	0	112.2	G623 Y644 H648 T668	G623-N646 VanDerWaalsContact CA-O 3.27Å; G623-N646 WeakPolarHBondContact CA-O 3.46Å; G623-N646 PolarHBondContact N-O 2.69Å; Y644-N646 PolarHBondContact O-N 3.34Å; N646-H648 PolarHBondContact O-CD2 3.18Å; N646-H648 PolarHBondContact O-NE2 3.42Å; N646-T668 PolarHBondContact N-O 3.5Å
647	G	97.3	Very high	97.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.			trans	-74.2	128.6	174.2	0	0	0	0	0	110.6	Y644 D645 S670 N671	Y644-G647 WeakPolarHBondContact O-CA 3.44Å; Y644-G647 PolarHBondContact O-N 2.75Å; D645-G647 PolarHBondContact O-N 3.41Å; G647-S670 PolarHBondContact N-OG 3.1Å; G647-S670 CarbonylContact O-C 3.59Å; G647-S670 VanDerWaalsContact O-CA 3.27Å; G647-S670 WeakPolarHBondContact O-CA 3.21Å; G647-S670 VanDerWaalsContact O-CB 3.27Å; G647-S670 WeakPolarHBondContact O-CB 3.45Å; G647-N671 PolarHBondContact O-N 3.02Å
648	H	96.6	Very high	97.5	Very high	58 Å²	58	31.3 Å²	31.3	27%	0.269	16%	0.158	S	C	.	.			trans	-132.6	-170.4	-175.9	-65.3	-64	0	0	0	110.4	S624 T625 F643 N646 N671	S624-H648 CarbonylContact O-C 3.59Å; S624-H648 WeakPolarHBondContact O-CA 3.18Å; S624-H648 WeakPolarHBondContact O-CB 3.33Å; S624-H648 PolarHBondContact O-N 3.06Å; T625-H648 HydrophobicContact CG2-CB 3.81Å; F643-H648 WeakPolarHBondContact CE1-O 3.15Å; N646-H648 PolarHBondContact O-CD2 3.18Å; N646-H648 PolarHBondContact O-NE2 3.42Å; H648-N671 PolarHBondContact ND1-N 3.43Å; H648-N671 PolarHBondContact ND1-O 2.91Å
649	G	96.8	Very high	97.5	Very high	15 Å²	15	28 Å²	28	16%	0.155	14%	0.142	C	C	.	.			trans	116.9	-164.2	179	0	0	0	0	0	113.1	P626 K673	P626-G649 WeakPolarHBondContact O-CA 3.36Å; G649-K673 PolarHBondContact O-N 3.1Å
650	V	98.7	Very high	97.3	Very high	27 Å²	27	33.2 Å²	33.2	16%	0.164	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.3	-178.6	178.4	0	0	0	0	109.1	P626 V627 L628 E652 K673	P626-V650 PolarHBondContact O-N 3.22Å; V627-V650 HydrophobicContact CG1-CB 4.36Å; V627-V650 HydrophobicContact CG2-CB 4.41Å; L628-V650 PolarHBondContact N-O 2.96Å; V650-E652 HydrophobicContact CG1-CB 3.92Å; V650-E652 HydrophobicContact CG1-CG 4.03Å; V650-K673 WeakPolarHBondContact CA-O 3.32Å; V650-K673 HydrophobicContact CG2-CB 4.5Å
651	L	98.8	Very high	97.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	97.3	170.2	-175.2	68.3	0	0	0	106.4	L628 V641 F643 N654 I656 V664 K673 I674 R675 N677	L628-L651 HydrophobicContact CB-CD1 3.74Å; L628-L651 HydrophobicContact CD2-CD1 3.93Å; L628-L651 HydrophobicContact CG-CD1 4.43Å; L628-L651 WeakPolarHBondContact O-CA 3.36Å; V641-L651 HydrophobicContact CB-CD2 4.36Å; V641-L651 HydrophobicContact CG1-CD1 4.43Å; V641-L651 HydrophobicContact CG1-CD2 4.33Å; V641-L651 HydrophobicContact CG2-CD1 4.14Å; V641-L651 HydrophobicContact CG2-CD2 4.41Å; F643-L651 HydrophobicContact CE2-CD2 4.34Å; F643-L651 HydrophobicContact CZ-CB 4.46Å; L651-N654 HydrophobicContact CD1-CB 4.5Å; L651-N654 VanDerWaalsContact CD1-ND2 3.34Å; L651-N654 WeakPolarHBondContact CD1-ND2 3.35Å; L651-I656 HydrophobicContact CD1-CD1 4.26Å; L651-I656 HydrophobicContact CD2-CD1 3.86Å; L651-I656 HydrophobicContact CG-CD1 4.38Å; L651-V664 HydrophobicContact CD2-CG2 4.03Å; L651-K673 PolarHBondContact N-O 2.96Å; L651-I674 HydrophobicContact CB-CG1 4.15Å; L651-I674 HydrophobicContact CD2-CG1 4.08Å; L651-I674 HydrophobicContact CD2-CG2 4.15Å; L651-I674 CarbonylContact O-C 3.59Å; L651-I674 WeakPolarHBondContact O-CA 3.5Å; L651-R675 PolarHBondContact O-N 3.11Å; L651-N677 PolarHBondContact O-ND2 2.86Å
652	E	98.6	Very high	97	Very high	25 Å²	25	38.6 Å²	38.6	12%	0.117	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.5	-174.9	67.1	178.4	-179.5	0	0	113.6	L628 R629 R630 V650 N654 R675 R676	L628-E652 PolarHBondContact O-N 2.94Å; R629-E652 WeakPolarHBondContact CA-O 3.5Å; R629-E652 HydrophobicContact CB-CG 3.38Å; R629-E652 WeakPolarHBondContact CD-OE1 3.15Å; R630-E652 PolarHBondContact N-O 2.93Å; V650-E652 HydrophobicContact CG1-CB 3.92Å; V650-E652 HydrophobicContact CG1-CG 4.03Å; E652-N654 VanDerWaalsContact C-N 3.29Å; E652-N654 VanDerWaalsContact C-ND2 3.34Å; E652-N654 PolarHBondContact N-ND2 3.26Å; E652-N654 PolarHBondContact O-N 2.86Å; E652-N654 VanDerWaalsContact O-N 3.16Å; E652-N654 PolarHBondContact O-ND2 2.93Å; E652-R675 VanDerWaalsContact CA-O 3.28Å; E652-R675 WeakPolarHBondContact CA-O 3.4Å; E652-R675 HydrophobicContact CB-CG 4.33Å; E652-R675 VanDerWaalsContact CB-NH1 3.31Å; E652-R675 IonicContact OE2-CZ 2.77Å; E652-R675 IonicContact OE2-NH1 2.77Å; E652-R675 PolarHBondContact OE2-NH1 3.01Å; E652-R675 IonicContact OE2-NH2 2.98Å; E652-R675 PolarHBondContact OE2-NH2 2.91Å; E652-R676 IonicContact OE2-NH2 2.81Å
653	D	98.6	Very high	96.9	Very high	57 Å²	57	37.4 Å²	37.4	31%	0.305	18%	0.184	S	C	.	.	S	Bend	trans	57.9	30.7	169.3	-47	-71.3	0	0	0	115.3	R630 R675 R676 N677	R630-D653 VanDerWaalsContact CA-O 3.24Å; R630-D653 WeakPolarHBondContact CA-O 3.33Å; R630-D653 HydrophobicContact CG-CB 4.17Å; R630-D653 PolarHBondContact N-O 2.89Å; D653-R675 PolarHBondContact N-O 3.28Å; D653-R675 VanDerWaalsContact N-O 3.11Å; D653-R676 WeakPolarHBondContact CA-O 3.49Å; D653-R676 WeakPolarHBondContact OD1-CB 2.98Å; D653-R676 IonicContact OD1-CZ 3.7Å; D653-R676 IonicContact OD1-NE 2.73Å; D653-R676 PolarHBondContact OD1-NE 3.5Å; D653-R676 IonicContact OD1-NH2 2.73Å; D653-R676 PolarHBondContact OD1-NH2 2.93Å; D653-R676 IonicContact OD2-CZ 4Å; D653-R676 IonicContact OD2-NE 3.28Å; D653-R676 IonicContact OD2-NH2 2.74Å; D653-R676 PolarHBondContact OD2-NH2 2.96Å; D653-N677 PolarHBondContact N-OD1 2.9Å
654	N	98.8	Very high	96.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.184	C	C	.	.			trans	-99.2	153.7	179.8	-52.2	-90.3	0	0	0	112.6	L628 R629 R630 N631 L651 E652 I656 N677 K678	L628-N654 PolarHBondContact O-ND2 2.87Å; R629-N654 WeakPolarHBondContact CA-OD1 3.13Å; R629-N654 PolarHBondContact N-OD1 2.84Å; R630-N654 PolarHBondContact N-OD1 2.81Å; N631-N654 WeakPolarHBondContact CB-OD1 3.17Å; N631-N654 PolarHBondContact N-OD1 2.9Å; N631-N654 PolarHBondContact ND2-OD1 3.41Å; L651-N654 HydrophobicContact CD1-CB 4.5Å; L651-N654 VanDerWaalsContact CD1-ND2 3.34Å; L651-N654 WeakPolarHBondContact CD1-ND2 3.35Å; E652-N654 VanDerWaalsContact C-N 3.29Å; E652-N654 VanDerWaalsContact C-ND2 3.34Å; E652-N654 PolarHBondContact N-ND2 3.26Å; E652-N654 PolarHBondContact O-N 2.86Å; E652-N654 VanDerWaalsContact O-N 3.16Å; E652-N654 PolarHBondContact O-ND2 2.93Å; N654-I656 HydrophobicContact CB-CD1 4.47Å; N654-I656 HydrophobicContact CB-CG1 4.24Å; N654-N677 WeakPolarHBondContact CB-OD1 3.11Å; N654-N677 PolarHBondContact N-OD1 2.85Å; N654-N677 PolarHBondContact ND2-OD1 3.02Å; N654-N677 CarbonylContact O-C 3.58Å; N654-N677 VanDerWaalsContact O-CA 3.26Å; N654-N677 WeakPolarHBondContact O-CA 3.12Å; N654-N677 WeakPolarHBondContact O-CB 3.04Å; N654-K678 PolarHBondContact O-N 3Å
655	D	98.8	Very high	97	Very high	49 Å²	49	34.7 Å²	34.7	26%	0.262	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120.3	169.4	-70.6	-38.9	0	0	0	109.6	N631 R632 I633 Y657 W680	N631-D655 PolarHBondContact O-N 2.89Å; R632-D655 WeakPolarHBondContact CA-O 2.99Å; I633-D655 PolarHBondContact N-O 2.78Å; D655-Y657 HydrophobicContact CB-CD1 4.25Å; D655-Y657 HydrophobicContact CB-CE1 4.22Å; D655-W680 HydrophobicContact CB-CH2 3.98Å; D655-W680 HydrophobicContact CB-CZ3 4.05Å
656	I	98.7	Very high	97.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	108	-173.5	-52	173.2	0	0	0	110.1	I633 V641 L651 N654 G663 V664 K678 I679 W680	I633-I656 VanDerWaalsContact O-CA 3.29Å; I633-I656 WeakPolarHBondContact O-CA 3.09Å; V641-I656 HydrophobicContact CG2-CD1 3.91Å; L651-I656 HydrophobicContact CD1-CD1 4.26Å; L651-I656 HydrophobicContact CD2-CD1 3.86Å; L651-I656 HydrophobicContact CG-CD1 4.38Å; N654-I656 HydrophobicContact CB-CD1 4.47Å; N654-I656 HydrophobicContact CB-CG1 4.24Å; I656-G663 WeakPolarHBondContact CG2-O 3.34Å; I656-V664 HydrophobicContact CD1-CG2 3.88Å; I656-K678 PolarHBondContact N-O 2.88Å; I656-I679 HydrophobicContact CB-CG1 4.47Å; I656-I679 WeakPolarHBondContact O-CA 3.08Å; I656-W680 PolarHBondContact O-N 3.39Å
657	Y	98.1	Very high	97.1	Very high	42 Å²	42	30.8 Å²	30.8	17%	0.165	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	160.2	-166.7	62.2	-86.9	0	0	0	118.5	I633 H634 S635 D655 H659 W680	I633-Y657 PolarHBondContact O-N 3.44Å; I633-Y657 VanDerWaalsContact O-N 3.07Å; H634-Y657 CarbonylContact C-O 3.6Å; H634-Y657 WeakPolarHBondContact CA-O 3.26Å; H634-Y657 HydrophobicContact CB-CD1 3.81Å; H634-Y657 HydrophobicContact CB-CD2 3.59Å; H634-Y657 HydrophobicContact CB-CE1 3.65Å; H634-Y657 HydrophobicContact CB-CE2 3.4Å; H634-Y657 VanDerWaalsContact CB-CE2 3.4Å; H634-Y657 HydrophobicContact CB-CG 3.78Å; H634-Y657 VanDerWaalsContact CB-CZ 3.43Å; H634-Y657 VanDerWaalsContact CB-O 3.24Å; H634-Y657 WeakPolarHBondContact CB-O 3.46Å; H634-Y657 AromaticContact CD2-CZ 3.63Å; H634-Y657 PolarHBondContact CD2-OH 3.35Å; H634-Y657 VanDerWaalsContact CD2-OH 3.28Å; H634-Y657 AromaticContact CG-CE2 3.66Å; H634-Y657 AromaticContact CG-CZ 3.46Å; H634-Y657 VanDerWaalsContact CG-CZ 3.46Å; S635-Y657 PolarHBondContact N-O 3Å; S635-Y657 VanDerWaalsContact N-O 3.1Å; D655-Y657 HydrophobicContact CB-CD1 4.25Å; D655-Y657 HydrophobicContact CB-CE1 4.22Å; Y657-H659 VanDerWaalsContact C-N 3.35Å; Y657-H659 PolarHBondContact O-CD2 2.16Å; Y657-H659 PolarHBondContact O-N 3.08Å; Y657-H659 PolarHBondContact O-NE2 2.91Å; Y657-W680 CarbonylContact C-O 3.52Å; Y657-W680 WeakPolarHBondContact CA-O 3.35Å; Y657-W680 VanDerWaalsContact CB-CD2 3.48Å; Y657-W680 WeakPolarHBondContact CB-O 3.44Å; Y657-W680 AromaticContact CD1-CH2 3.3Å; Y657-W680 HydrophobicContact CD1-CH2 3.3Å; Y657-W680 AromaticContact CD1-CZ2 3.42Å; Y657-W680 HydrophobicContact CD1-CZ2 3.42Å; Y657-W680 VanDerWaalsContact CD1-CZ2 3.42Å; Y657-W680 AromaticContact CD1-CZ3 3.88Å; Y657-W680 HydrophobicContact CD1-CZ3 3.88Å; Y657-W680 AromaticContact CD2-CZ2 3.94Å; Y657-W680 HydrophobicContact CD2-CZ2 3.94Å; Y657-W680 AromaticContact CE1-CH2 3.88Å; Y657-W680 HydrophobicContact CE1-CH2 3.88Å; Y657-W680 HydrophobicContact CE1-CZ2 4.01Å; Y657-W680 HydrophobicContact CE2-CZ2 4.48Å; Y657-W680 HydrophobicContact CG-CD2 4.24Å; Y657-W680 AromaticContact CG-CE2 3.64Å; Y657-W680 AromaticContact CG-CH2 3.75Å; Y657-W680 HydrophobicContact CG-CH2 3.75Å; Y657-W680 AromaticContact CG-CZ2 3.39Å; Y657-W680 HydrophobicContact CG-CZ2 3.39Å; Y657-W680 HydrophobicContact CG-CZ3 4.28Å
658	N	95.3	Very high	97	Very high	85 Å²	85	33.2 Å²	33.2	46%	0.455	17%	0.165	S	C	.	.			trans	54.2	43.5	174.5	-62.1	-2.2	0	0	0	114	S635 W680	S635-N658 VanDerWaalsContact CA-O 3.29Å; S635-N658 WeakPolarHBondContact CA-O 3.31Å; S635-N658 PolarHBondContact N-O 3.01Å; N658-W680 PolarHBondContact N-O 3.09Å; N658-W680 VanDerWaalsContact N-O 3.07Å
659	H	93.8	Very high	96.8	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.009	16%	0.164	C	C	.	.			trans	-92.3	143.1	176.4	-70	-69.4	0	0	0	111.4	I633 H634 G636 G640 Y657 Y661 Q683	I633-H659 PolarHBondContact O-NE2 3.05Å; H634-H659 VanDerWaalsContact CA-CE1 3.47Å; H634-H659 WeakPolarHBondContact CA-CE1 3.38Å; H634-H659 WeakPolarHBondContact CA-NE2 3.34Å; G636-H659 WeakPolarHBondContact CA-ND1 3.32Å; G636-H659 PolarHBondContact N-ND1 2.88Å; G636-H659 VanDerWaalsContact N-ND1 3.18Å; G640-H659 VanDerWaalsContact CA-CE1 3.47Å; G640-H659 WeakPolarHBondContact CA-CE1 3.26Å; G640-H659 WeakPolarHBondContact CA-NE2 3.44Å; Y657-H659 VanDerWaalsContact C-N 3.35Å; Y657-H659 PolarHBondContact O-CD2 2.16Å; Y657-H659 PolarHBondContact O-N 3.08Å; Y657-H659 PolarHBondContact O-NE2 2.91Å; H659-Y661 PolarHBondContact O-N 3.16Å; H659-Q683 PolarHBondContact O-N 3.1Å
660	M	92.8	Very high	96.9	Very high	118 Å²	118	30.9 Å²	30.9	58%	0.581	16%	0.157	S	C	*	.	S	Bend	trans	-69.6	-12.2	177.2	-62.3	-167.1	77.1	0	0	113.5	G636 K637 N684	G636-M660 PolarHBondContact O-N 2.9Å; K637-M660 HydrophobicContact CB-SD 4.48Å; M660-N684 PolarHBondContact O-ND2 3.49Å
661	Y	93.7	Very high	96.9	Very high	113 Å²	113	32.7 Å²	32.7	44%	0.443	17%	0.166	S	C	.	.	S	Bend	trans	-118.5	-144.9	169.9	-71.5	-111.3	0	0	0	110.5	Q638 H659 G682 Q683 N684	Q638-Y661 HydrophobicContact CB-CD2 4.38Å; Q638-Y661 HydrophobicContact CG-CE2 4.4Å; Q638-Y661 PolarHBondContact O-N 3.15Å; Q638-Y661 VanDerWaalsContact O-N 3.1Å; H659-Y661 PolarHBondContact O-N 3.16Å; Y661-G682 CarbonylContact O-C 3.55Å; Y661-Q683 PolarHBondContact O-N 3.01Å; Y661-Q683 VanDerWaalsContact O-N 3.16Å; Y661-N684 WeakPolarHBondContact CD1-ND2 3.34Å; Y661-N684 PolarHBondContact O-N 3.19Å; Y661-N684 VanDerWaalsContact O-N 3.08Å
662	S	94.9	Very high	96.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.			trans	-76.9	149.3	177.8	-37.4	0	0	0	0	110.4	V639 G640 Q665 N684 G685	V639-S662 WeakPolarHBondContact CA-O 3.39Å; G640-S662 PolarHBondContact N-O 2.7Å; S662-Q665 PolarHBondContact OG-NE2 2.68Å; S662-N684 WeakPolarHBondContact CB-O 3.47Å; S662-N684 PolarHBondContact OG-O 3.06Å; S662-G685 WeakPolarHBondContact CA-O 3.42Å
663	G	96.9	Very high	96.9	Very high	2 Å²	2	37.5 Å²	37.5	2%	0.021	19%	0.186	C	C	.	.	S	Bend	trans	-59.5	-46.2	172	0	0	0	0	0	112	G640 V641 I656 G685 G686	G640-G663 CarbonylContact C-O 3.5Å; G640-G663 WeakPolarHBondContact CA-O 3.31Å; G640-G663 PolarHBondContact N-O 2.71Å; V641-G663 PolarHBondContact N-O 2.73Å; I656-G663 WeakPolarHBondContact CG2-O 3.34Å; G663-G685 PolarHBondContact N-O 3.27Å; G663-G686 CarbonylContact C-O 3.55Å; G663-G686 WeakPolarHBondContact CA-O 3.19Å; G663-G686 PolarHBondContact N-O 2.95Å
664	V	98.4	Very high	96.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	141.5	173.6	-175.6	0	0	0	0	111.1	V641 F643 L651 I656 I666 I674 I679 G686 I687 L688	V641-V664 HydrophobicContact CB-CG2 4.36Å; V641-V664 CarbonylContact O-C 3.57Å; V641-V664 VanDerWaalsContact O-CA 3.26Å; V641-V664 WeakPolarHBondContact O-CA 3.44Å; F643-V664 HydrophobicContact CD2-CG1 4.3Å; F643-V664 HydrophobicContact CE2-CG1 4.3Å; L651-V664 HydrophobicContact CD2-CG2 4.03Å; I656-V664 HydrophobicContact CD1-CG2 3.88Å; V664-I666 HydrophobicContact CG1-CG1 4.31Å; V664-I674 HydrophobicContact CG1-CD1 3.93Å; V664-I679 HydrophobicContact CG2-CD1 3.89Å; V664-G686 PolarHBondContact N-O 3.04Å; V664-I687 HydrophobicContact CB-CG1 4.24Å; V664-I687 HydrophobicContact CB-CG2 4.28Å; V664-I687 CarbonylContact O-C 3.57Å; V664-I687 WeakPolarHBondContact O-CA 3.49Å; V664-L688 PolarHBondContact O-N 2.66Å
665	Q	97.9	Very high	96.9	Very high	16 Å²	16	37.7 Å²	37.7	8%	0.075	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	142.3	169.9	-66.9	-160.4	0.9	0	0	112.3	V639 V641 Y642 F643 S662 L688 Y690	V639-Q665 HydrophobicContact CG1-CB 4.04Å; V639-Q665 HydrophobicContact CG1-CG 3.79Å; V639-Q665 HydrophobicContact CG2-CG 3.84Å; V641-Q665 PolarHBondContact O-N 3.15Å; Y642-Q665 HydrophobicContact CD2-CB 3.75Å; Y642-Q665 HydrophobicContact CE2-CB 4.28Å; F643-Q665 PolarHBondContact N-O 2.67Å; S662-Q665 PolarHBondContact OG-NE2 2.68Å; Q665-L688 WeakPolarHBondContact CA-O 3.44Å; Q665-L688 HydrophobicContact CG-CB 4.24Å; Q665-Y690 HydrophobicContact CB-CE1 4.33Å; Q665-Y690 PolarHBondContact OE1-OH 2.75Å
666	I	98.4	Very high	96.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	118	-179.2	-44.8	175.4	0	0	0	109	F643 V664 S670 P672 I674 I687 L688 V689 Y690 I697	F643-I666 HydrophobicContact CB-CG2 4.46Å; F643-I666 HydrophobicContact CD2-CG1 4.5Å; V664-I666 HydrophobicContact CG1-CG1 4.31Å; I666-S670 VanDerWaalsContact CG2-O 3.31Å; I666-S670 WeakPolarHBondContact CG2-O 3.24Å; I666-P672 HydrophobicContact CD1-CG 3.91Å; I666-P672 HydrophobicContact CG1-CG 4.18Å; I666-P672 HydrophobicContact CG2-CG 4.16Å; I666-I674 HydrophobicContact CD1-CD1 3.47Å; I666-I674 VanDerWaalsContact CD1-CD1 3.47Å; I666-I674 HydrophobicContact CG1-CD1 4.21Å; I666-I687 HydrophobicContact CD1-CG2 4.33Å; I666-L688 PolarHBondContact N-O 3.38Å; I666-V689 HydrophobicContact CB-CG1 4.26Å; I666-V689 HydrophobicContact CD1-CG2 4.06Å; I666-V689 WeakPolarHBondContact O-CA 3.18Å; I666-Y690 PolarHBondContact O-N 2.86Å; I666-I697 HydrophobicContact CD1-CD1 4.35Å
667	R	96.6	Very high	96.9	Very high	38 Å²	38	41 Å²	41	14%	0.143	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	166.7	177.3	80.8	-177.2	-153.9	-172.4	2.4	115.6	Y642 F643 Y644 S670 Y690 N691	Y642-R667 HydrophobicContact CE2-CG 4.22Å; Y642-R667 PolarHBondContact OH-NE 2.96Å; Y642-R667 PolarHBondContact OH-NH1 2.67Å; Y642-R667 PolarHBondContact OH-NH2 3.25Å; F643-R667 PolarHBondContact O-N 2.93Å; Y644-R667 HydrophobicContact CD2-CG 3.72Å; Y644-R667 VanDerWaalsContact CD2-NE 3.28Å; Y644-R667 HydrophobicContact CE2-CG 4.39Å; R667-S670 WeakPolarHBondContact O-CB 3.47Å; R667-S670 PolarHBondContact O-N 3.46Å; R667-S670 PolarHBondContact O-OG 2.88Å; R667-Y690 WeakPolarHBondContact CA-O 3.16Å; R667-Y690 HydrophobicContact CB-CD1 3.92Å; R667-Y690 HydrophobicContact CB-CD2 4.38Å; R667-Y690 HydrophobicContact CB-CE1 3.98Å; R667-Y690 HydrophobicContact CB-CE2 4.42Å; R667-Y690 HydrophobicContact CB-CG 4.16Å; R667-Y690 WeakPolarHBondContact CB-O 3.27Å; R667-Y690 WeakPolarHBondContact CD-OH 3.39Å; R667-Y690 HydrophobicContact CG-CE1 4.41Å; R667-Y690 PolarHBondContact NH1-OH 3.25Å; R667-N691 HydrophobicContact CB-CB 4.47Å
668	T	95.1	Very high	96.9	Very high	51 Å²	51	43.2 Å²	43.2	31%	0.313	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	66.1	172	-50.8	0	0	0	0	112	N646 S670 N691	N646-T668 PolarHBondContact N-O 3.5Å; T668-S670 PolarHBondContact O-N 3.23Å; T668-N691 WeakPolarHBondContact CA-O 3.49Å; T668-N691 PolarHBondContact N-O 3.11Å
669	G	94.2	Very high	97.1	Very high	24 Å²	24	39.2 Å²	39.2	25%	0.247	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	-12.2	178.7	0	0	0	0	0	115.5	N671 S692	G669-N671 PolarHBondContact O-N 3.21Å; G669-S692 WeakPolarHBondContact CA-O 3.33Å; G669-S692 PolarHBondContact N-O 2.94Å
670	S	98.4	Very high	97.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.19	C	C	.	.			trans	-53.8	131.6	-178.8	-61.5	0	0	0	0	112.6	F643 Y644 G647 I666 R667 T668 L694	F643-S670 PolarHBondContact O-OG 3.07Å; Y644-S670 VanDerWaalsContact C-OG 3.25Å; Y644-S670 WeakPolarHBondContact CA-OG 3.4Å; Y644-S670 PolarHBondContact N-OG 3.17Å; Y644-S670 PolarHBondContact O-OG 3.15Å; G647-S670 PolarHBondContact N-OG 3.1Å; G647-S670 CarbonylContact O-C 3.59Å; G647-S670 VanDerWaalsContact O-CA 3.27Å; G647-S670 WeakPolarHBondContact O-CA 3.21Å; G647-S670 VanDerWaalsContact O-CB 3.27Å; G647-S670 WeakPolarHBondContact O-CB 3.45Å; I666-S670 VanDerWaalsContact CG2-O 3.31Å; I666-S670 WeakPolarHBondContact CG2-O 3.24Å; R667-S670 WeakPolarHBondContact O-CB 3.47Å; R667-S670 PolarHBondContact O-N 3.46Å; R667-S670 PolarHBondContact O-OG 2.88Å; T668-S670 PolarHBondContact O-N 3.23Å; S670-L694 PolarHBondContact O-N 3.01Å; S670-L694 VanDerWaalsContact O-N 3.09Å
671	N	97.8	Very high	97.2	Very high	64 Å²	64	36.4 Å²	36.4	34%	0.342	17%	0.165	S	C	.	.			trans	-139.2	76.8	-177.5	-167.7	-7.2	0	0	0	110.4	G647 H648 G669 L694	G647-N671 PolarHBondContact O-N 3.02Å; H648-N671 PolarHBondContact ND1-N 3.43Å; H648-N671 PolarHBondContact ND1-O 2.91Å; G669-N671 PolarHBondContact O-N 3.21Å; N671-L694 HydrophobicContact CB-CB 4Å; N671-L694 PolarHBondContact OD1-O 3.05Å
672	P	98.4	Very high	97	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.144	C	C	.	.			trans	-81.2	160.6	171.9	34.9	-37.6	0	0	0	111.8	F643 I666 I674 C696	F643-P672 HydrophobicContact CB-CG 4.39Å; F643-P672 HydrophobicContact CD1-CB 3.81Å; F643-P672 HydrophobicContact CD1-CG 4.18Å; F643-P672 HydrophobicContact CD2-CB 4Å; F643-P672 HydrophobicContact CD2-CG 3.72Å; F643-P672 HydrophobicContact CE1-CB 3.66Å; F643-P672 HydrophobicContact CE1-CG 4.41Å; F643-P672 HydrophobicContact CE2-CB 3.83Å; F643-P672 HydrophobicContact CE2-CG 3.95Å; F643-P672 HydrophobicContact CG-CB 3.98Å; F643-P672 HydrophobicContact CG-CG 3.84Å; F643-P672 HydrophobicContact CZ-CB 3.67Å; F643-P672 HydrophobicContact CZ-CG 4.3Å; I666-P672 HydrophobicContact CD1-CG 3.91Å; I666-P672 HydrophobicContact CG1-CG 4.18Å; I666-P672 HydrophobicContact CG2-CG 4.16Å; P672-I674 HydrophobicContact CB-CD1 4.5Å; P672-I674 HydrophobicContact CB-CG1 4.23Å; P672-I674 HydrophobicContact CG-CD1 3.83Å; P672-I674 HydrophobicContact CG-CG1 4.08Å; P672-C696 PolarHBondContact O-N 2.98Å
673	K	98.7	Very high	96.7	Very high	127 Å²	127	35.7 Å²	35.7	55%	0.552	17%	0.166	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	107.6	166.9	-67.6	177.5	-178.8	177.4	0	109.5	G649 V650 L651	G649-K673 PolarHBondContact O-N 3.1Å; V650-K673 WeakPolarHBondContact CA-O 3.32Å; V650-K673 HydrophobicContact CG2-CB 4.5Å; L651-K673 PolarHBondContact N-O 2.96Å
674	I	98.8	Very high	96.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	110.8	-175.3	-62.2	165.5	0	0	0	107.9	L651 V664 I666 P672 N677 C696 I697 E698 N700	L651-I674 HydrophobicContact CB-CG1 4.15Å; L651-I674 HydrophobicContact CD2-CG1 4.08Å; L651-I674 HydrophobicContact CD2-CG2 4.15Å; L651-I674 CarbonylContact O-C 3.59Å; L651-I674 WeakPolarHBondContact O-CA 3.5Å; V664-I674 HydrophobicContact CG1-CD1 3.93Å; I666-I674 HydrophobicContact CD1-CD1 3.47Å; I666-I674 VanDerWaalsContact CD1-CD1 3.47Å; I666-I674 HydrophobicContact CG1-CD1 4.21Å; P672-I674 HydrophobicContact CB-CD1 4.5Å; P672-I674 HydrophobicContact CB-CG1 4.23Å; P672-I674 HydrophobicContact CG-CD1 3.83Å; P672-I674 HydrophobicContact CG-CG1 4.08Å; I674-N677 WeakPolarHBondContact CG2-ND2 3.04Å; I674-C696 PolarHBondContact N-O 3.36Å; I674-I697 HydrophobicContact CB-CG1 4.41Å; I674-I697 HydrophobicContact CD1-CG1 4.27Å; I674-I697 CarbonylContact O-C 3.54Å; I674-I697 WeakPolarHBondContact O-CA 3.16Å; I674-E698 PolarHBondContact O-N 3.35Å; I674-N700 PolarHBondContact O-ND2 2.94Å
675	R	98.6	Very high	95.8	Very high	60 Å²	60	38.6 Å²	38.6	23%	0.226	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	142.4	-176.6	55.6	178.1	170.5	69.4	4.5	117	L651 E652 D653 N677 E698 N700	L651-R675 PolarHBondContact O-N 3.11Å; E652-R675 VanDerWaalsContact CA-O 3.28Å; E652-R675 WeakPolarHBondContact CA-O 3.4Å; E652-R675 HydrophobicContact CB-CG 4.33Å; E652-R675 VanDerWaalsContact CB-NH1 3.31Å; E652-R675 IonicContact OE2-CZ 2.77Å; E652-R675 IonicContact OE2-NH1 2.77Å; E652-R675 PolarHBondContact OE2-NH1 3.01Å; E652-R675 IonicContact OE2-NH2 2.98Å; E652-R675 PolarHBondContact OE2-NH2 2.91Å; D653-R675 PolarHBondContact N-O 3.28Å; D653-R675 VanDerWaalsContact N-O 3.11Å; R675-N677 PolarHBondContact N-ND2 3.39Å; R675-N677 VanDerWaalsContact N-ND2 3.1Å; R675-N677 PolarHBondContact O-N 2.95Å; R675-N677 PolarHBondContact O-ND2 3.1Å; R675-N677 VanDerWaalsContact O-ND2 3.15Å; R675-E698 WeakPolarHBondContact CA-O 3.45Å; R675-E698 HydrophobicContact CB-CB 4.32Å; R675-E698 WeakPolarHBondContact CB-O 3.3Å; R675-N700 VanDerWaalsContact CA-OD1 3.26Å; R675-N700 WeakPolarHBondContact CA-OD1 3.26Å; R675-N700 PolarHBondContact N-OD1 3.31Å
676	R	98.6	Very high	95.7	Very high	117 Å²	117	37.8 Å²	37.8	44%	0.442	18%	0.178	S	C	.	.	S	Bend	trans	56.9	22.5	180	-52.6	-174.1	-56	-101.8	-1.3	115.1	E652 D653 E698 D699 N700	E652-R676 IonicContact OE2-NH2 2.81Å; D653-R676 WeakPolarHBondContact CA-O 3.49Å; D653-R676 WeakPolarHBondContact OD1-CB 2.98Å; D653-R676 IonicContact OD1-CZ 3.7Å; D653-R676 IonicContact OD1-NE 2.73Å; D653-R676 PolarHBondContact OD1-NE 3.5Å; D653-R676 IonicContact OD1-NH2 2.73Å; D653-R676 PolarHBondContact OD1-NH2 2.93Å; D653-R676 IonicContact OD2-CZ 4Å; D653-R676 IonicContact OD2-NE 3.28Å; D653-R676 IonicContact OD2-NH2 2.74Å; D653-R676 PolarHBondContact OD2-NH2 2.96Å; R676-E698 PolarHBondContact N-O 3.19Å; R676-D699 VanDerWaalsContact CA-O 3.31Å; R676-D699 WeakPolarHBondContact CA-O 3.5Å; R676-D699 HydrophobicContact CG-CB 4.02Å; R676-D699 PolarHBondContact N-O 2.85Å; R676-N700 PolarHBondContact N-OD1 2.97Å; R676-N700 VanDerWaalsContact N-OD1 3.17Å
677	N	98.8	Very high	95.7	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	18%	0.179	C	C	.	.			trans	-85.8	157.8	175.2	-51.2	-83.7	0	0	0	110.7	L651 D653 N654 I674 R675 I679 N700 E701	L651-N677 PolarHBondContact O-ND2 2.86Å; D653-N677 PolarHBondContact N-OD1 2.9Å; N654-N677 WeakPolarHBondContact CB-OD1 3.11Å; N654-N677 PolarHBondContact N-OD1 2.85Å; N654-N677 PolarHBondContact ND2-OD1 3.02Å; N654-N677 CarbonylContact O-C 3.58Å; N654-N677 VanDerWaalsContact O-CA 3.26Å; N654-N677 WeakPolarHBondContact O-CA 3.12Å; N654-N677 WeakPolarHBondContact O-CB 3.04Å; I674-N677 WeakPolarHBondContact CG2-ND2 3.04Å; R675-N677 PolarHBondContact N-ND2 3.39Å; R675-N677 VanDerWaalsContact N-ND2 3.1Å; R675-N677 PolarHBondContact O-N 2.95Å; R675-N677 PolarHBondContact O-ND2 3.1Å; R675-N677 VanDerWaalsContact O-ND2 3.15Å; N677-I679 HydrophobicContact CB-CG1 4.35Å; N677-N700 PolarHBondContact N-OD1 2.84Å; N677-N700 PolarHBondContact ND2-OD1 2.84Å; N677-N700 WeakPolarHBondContact O-CA 3.49Å; N677-E701 PolarHBondContact O-N 2.97Å
678	K	98.8	Very high	95.8	Very high	90 Å²	90	36.7 Å²	36.7	39%	0.391	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	129.2	169.4	-68.1	-176.6	175.5	-172.3	0	110	N654 I656 W680 E701	N654-K678 PolarHBondContact O-N 3Å; I656-K678 PolarHBondContact N-O 2.88Å; K678-W680 HydrophobicContact CB-CE3 3.87Å; K678-W680 HydrophobicContact CB-CZ3 3.56Å; K678-E701 WeakPolarHBondContact CA-O 3.18Å; K678-E701 VanDerWaalsContact CE-OE2 3.27Å; K678-E701 WeakPolarHBondContact CE-OE2 3.43Å; K678-E701 HydrophobicContact CG-CB 4.35Å; K678-E701 IonicContact NZ-OE2 3.21Å
679	I	98.6	Very high	95.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	107.3	-171.7	-49.9	174.6	0	0	0	110.9	I656 V664 N677 I687 E701 I702 F703 N705	I656-I679 HydrophobicContact CB-CG1 4.47Å; I656-I679 WeakPolarHBondContact O-CA 3.08Å; V664-I679 HydrophobicContact CG2-CD1 3.89Å; N677-I679 HydrophobicContact CB-CG1 4.35Å; I679-I687 HydrophobicContact CD1-CD1 3.76Å; I679-I687 HydrophobicContact CD1-CG1 3.7Å; I679-E701 PolarHBondContact N-O 2.87Å; I679-I702 HydrophobicContact CB-CG1 4.38Å; I679-I702 HydrophobicContact CB-CG2 4.46Å; I679-I702 HydrophobicContact CD1-CG1 4.48Å; I679-I702 WeakPolarHBondContact O-CA 3.14Å; I679-F703 PolarHBondContact O-N 3.26Å; I679-F703 VanDerWaalsContact O-N 3.11Å; I679-N705 PolarHBondContact O-ND2 2.95Å
680	W	97.6	Very high	96	Very high	56 Å²	56	34.3 Å²	34.3	21%	0.212	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	163.9	-173.1	75.6	97.4	0	0	0	115.4	D655 I656 Y657 N658 K678 G682 F703	D655-W680 HydrophobicContact CB-CH2 3.98Å; D655-W680 HydrophobicContact CB-CZ3 4.05Å; I656-W680 PolarHBondContact O-N 3.39Å; Y657-W680 CarbonylContact C-O 3.52Å; Y657-W680 WeakPolarHBondContact CA-O 3.35Å; Y657-W680 VanDerWaalsContact CB-CD2 3.48Å; Y657-W680 WeakPolarHBondContact CB-O 3.44Å; Y657-W680 AromaticContact CD1-CH2 3.3Å; Y657-W680 HydrophobicContact CD1-CH2 3.3Å; Y657-W680 AromaticContact CD1-CZ2 3.42Å; Y657-W680 HydrophobicContact CD1-CZ2 3.42Å; Y657-W680 VanDerWaalsContact CD1-CZ2 3.42Å; Y657-W680 AromaticContact CD1-CZ3 3.88Å; Y657-W680 HydrophobicContact CD1-CZ3 3.88Å; Y657-W680 AromaticContact CD2-CZ2 3.94Å; Y657-W680 HydrophobicContact CD2-CZ2 3.94Å; Y657-W680 AromaticContact CE1-CH2 3.88Å; Y657-W680 HydrophobicContact CE1-CH2 3.88Å; Y657-W680 HydrophobicContact CE1-CZ2 4.01Å; Y657-W680 HydrophobicContact CE2-CZ2 4.48Å; Y657-W680 HydrophobicContact CG-CD2 4.24Å; Y657-W680 AromaticContact CG-CE2 3.64Å; Y657-W680 AromaticContact CG-CH2 3.75Å; Y657-W680 HydrophobicContact CG-CH2 3.75Å; Y657-W680 AromaticContact CG-CZ2 3.39Å; Y657-W680 HydrophobicContact CG-CZ2 3.39Å; Y657-W680 HydrophobicContact CG-CZ3 4.28Å; N658-W680 PolarHBondContact N-O 3.09Å; N658-W680 VanDerWaalsContact N-O 3.07Å; K678-W680 HydrophobicContact CB-CE3 3.87Å; K678-W680 HydrophobicContact CB-CZ3 3.56Å; W680-G682 PolarHBondContact O-N 3.45Å; W680-G682 VanDerWaalsContact O-N 3.13Å; W680-F703 WeakPolarHBondContact CA-O 3.3Å; W680-F703 HydrophobicContact CB-CD1 4.17Å; W680-F703 HydrophobicContact CB-CD2 3.75Å; W680-F703 HydrophobicContact CB-CE1 3.95Å; W680-F703 HydrophobicContact CB-CE2 3.51Å; W680-F703 HydrophobicContact CB-CG 4.07Å; W680-F703 HydrophobicContact CB-CZ 3.62Å; W680-F703 WeakPolarHBondContact CB-O 3.36Å; W680-F703 AromaticContact CD1-CE2 3.94Å; W680-F703 HydrophobicContact CD2-CE1 4.24Å; W680-F703 HydrophobicContact CD2-CE2 4.13Å; W680-F703 AromaticContact CD2-CZ 3.6Å; W680-F703 HydrophobicContact CD2-CZ 3.6Å; W680-F703 HydrophobicContact CE3-CE1 4.09Å; W680-F703 AromaticContact CE3-CZ 3.85Å; W680-F703 HydrophobicContact CE3-CZ 3.85Å; W680-F703 HydrophobicContact CG-CD2 4.32Å; W680-F703 HydrophobicContact CG-CE1 4.24Å; W680-F703 AromaticContact CG-CE2 3.58Å; W680-F703 HydrophobicContact CG-CE2 3.58Å; W680-F703 AromaticContact CG-CZ 3.53Å; W680-F703 HydrophobicContact CG-CZ 3.53Å
681	G	92.1	Very high	95.9	Very high	5 Å²	5	37.4 Å²	37.4	5%	0.052	17%	0.17	C	C	.	.			trans	67.4	9.8	177.7	0	0	0	0	0	115.1	Q683 D704 N705	G681-Q683 PolarHBondContact O-N 3.39Å; G681-Q683 PolarHBondContact O-NE2 3.06Å; G681-D704 VanDerWaalsContact CA-O 3.22Å; G681-D704 WeakPolarHBondContact CA-O 3.19Å; G681-D704 PolarHBondContact N-O 2.88Å; G681-N705 PolarHBondContact N-OD1 3.25Å
682	G	89.7	Confident	95.9	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.01	18%	0.175	C	C	.	.			trans	-71.1	123.3	177.1	0	0	0	0	0	111.2	Y661 W680 G685 N705 A706	Y661-G682 CarbonylContact O-C 3.55Å; W680-G682 PolarHBondContact O-N 3.45Å; W680-G682 VanDerWaalsContact O-N 3.13Å; G682-G685 PolarHBondContact O-N 2.97Å; G682-N705 WeakPolarHBondContact CA-OD1 3.26Å; G682-N705 PolarHBondContact N-OD1 3.32Å; G682-A706 PolarHBondContact O-N 3.39Å
683	Q	89.4	Confident	95.8	Very high	97 Å²	97	37.5 Å²	37.5	45%	0.453	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-32.7	-176.4	-57.4	-53.5	-67.2	0	0	112.2	H659 Y661 G681 M707	H659-Q683 PolarHBondContact O-N 3.1Å; Y661-Q683 PolarHBondContact O-N 3.01Å; Y661-Q683 VanDerWaalsContact O-N 3.16Å; G681-Q683 PolarHBondContact O-N 3.39Å; G681-Q683 PolarHBondContact O-NE2 3.06Å; Q683-M707 WeakPolarHBondContact O-CG 3.48Å
684	N	85.9	Confident	95.8	Very high	60 Å²	60	34.8 Å²	34.8	32%	0.321	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	42.5	172.5	-68.6	-56.8	0	0	0	112.1	M660 Y661 S662	M660-N684 PolarHBondContact O-ND2 3.49Å; Y661-N684 WeakPolarHBondContact CD1-ND2 3.34Å; Y661-N684 PolarHBondContact O-N 3.19Å; Y661-N684 VanDerWaalsContact O-N 3.08Å; S662-N684 WeakPolarHBondContact CB-O 3.47Å; S662-N684 PolarHBondContact OG-O 3.06Å
685	G	89.9	Confident	95.7	Very high	3 Å²	3	34.8 Å²	34.8	3%	0.031	17%	0.167	C	C	.	.			trans	88.3	173.3	172.9	0	0	0	0	0	115.3	S662 G663 G682 A708	S662-G685 WeakPolarHBondContact CA-O 3.42Å; G663-G685 PolarHBondContact N-O 3.27Å; G682-G685 PolarHBondContact O-N 2.97Å; G685-A708 WeakPolarHBondContact CA-O 3.34Å
686	G	95.8	Very high	95.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-75.5	-68.4	-179.3	0	0	0	0	0	112.3	G663 V664 A708 G709	G663-G686 CarbonylContact C-O 3.55Å; G663-G686 WeakPolarHBondContact CA-O 3.19Å; G663-G686 PolarHBondContact N-O 2.95Å; V664-G686 PolarHBondContact N-O 3.04Å; G686-A708 PolarHBondContact N-O 3.28Å; G686-A708 VanDerWaalsContact N-O 3.16Å; G686-G709 CarbonylContact C-O 3.59Å; G686-G709 WeakPolarHBondContact CA-O 3.45Å; G686-G709 PolarHBondContact N-O 3.49Å
687	I	98.3	Very high	95.6	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	128.5	175	-52.1	178.2	0	0	0	109.9	V664 I666 I679 V689 I697 I702 G709 V710 W711	V664-I687 HydrophobicContact CB-CG1 4.24Å; V664-I687 HydrophobicContact CB-CG2 4.28Å; V664-I687 CarbonylContact O-C 3.57Å; V664-I687 WeakPolarHBondContact O-CA 3.49Å; I666-I687 HydrophobicContact CD1-CG2 4.33Å; I679-I687 HydrophobicContact CD1-CD1 3.76Å; I679-I687 HydrophobicContact CD1-CG1 3.7Å; I687-V689 HydrophobicContact CG2-CG2 4.09Å; I687-I697 HydrophobicContact CD1-CD1 4.12Å; I687-I697 HydrophobicContact CD1-CG1 4.42Å; I687-I697 HydrophobicContact CD1-CG2 3.71Å; I687-I697 HydrophobicContact CG2-CD1 4.04Å; I687-I702 HydrophobicContact CD1-CD1 3.64Å; I687-I702 HydrophobicContact CG1-CD1 4.04Å; I687-G709 PolarHBondContact N-O 3.34Å; I687-V710 HydrophobicContact CB-CG1 4.22Å; I687-V710 HydrophobicContact CB-CG2 4.22Å; I687-V710 HydrophobicContact CD1-CG2 4.48Å; I687-V710 CarbonylContact O-C 3.59Å; I687-V710 WeakPolarHBondContact O-CA 3.37Å; I687-W711 PolarHBondContact O-N 2.91Å
688	L	97.6	Very high	95.6	Very high	13 Å²	13	29.5 Å²	29.5	7%	0.068	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	117.3	172.6	170.5	64.4	0	0	0	111.1	V664 Q665 I666 Y690 W711 K713	V664-L688 PolarHBondContact O-N 2.66Å; Q665-L688 WeakPolarHBondContact CA-O 3.44Å; Q665-L688 HydrophobicContact CG-CB 4.24Å; I666-L688 PolarHBondContact N-O 3.38Å; L688-Y690 HydrophobicContact CD1-CD1 4.37Å; L688-Y690 HydrophobicContact CD2-CD1 3.99Å; L688-Y690 HydrophobicContact CD2-CE1 3.98Å; L688-Y690 HydrophobicContact CG-CD1 3.72Å; L688-Y690 HydrophobicContact CG-CE1 4.11Å; L688-Y690 HydrophobicContact CG-CG 4.44Å; L688-W711 WeakPolarHBondContact CA-O 3.29Å; L688-W711 HydrophobicContact CD1-CB 3.79Å; L688-W711 HydrophobicContact CD1-CD2 4.26Å; L688-W711 HydrophobicContact CD1-CE3 4.44Å; L688-W711 HydrophobicContact CD1-CG 3.97Å; L688-K713 HydrophobicContact CD1-CD 4.27Å; L688-K713 HydrophobicContact CD1-CG 4.4Å
689	V	98.3	Very high	95.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	117.2	175.8	-165.7	0	0	0	0	108.8	I666 I687 I697 W711 I712 K713 P718	I666-V689 HydrophobicContact CB-CG1 4.26Å; I666-V689 HydrophobicContact CD1-CG2 4.06Å; I666-V689 WeakPolarHBondContact O-CA 3.18Å; I687-V689 HydrophobicContact CG2-CG2 4.09Å; V689-I697 HydrophobicContact CG2-CD1 4.19Å; V689-W711 PolarHBondContact N-O 2.7Å; V689-I712 CarbonylContact O-C 3.48Å; V689-I712 WeakPolarHBondContact O-CA 3.48Å; V689-K713 PolarHBondContact O-N 2.75Å; V689-P718 HydrophobicContact CB-CG 4.3Å; V689-P718 HydrophobicContact CG1-CB 4.22Å; V689-P718 HydrophobicContact CG1-CG 4.15Å; V689-P718 HydrophobicContact CG2-CB 4.28Å; V689-P718 HydrophobicContact CG2-CG 4.18Å
690	Y	96.8	Very high	95.6	Very high	24 Å²	24	28.3 Å²	28.3	9%	0.094	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	164.4	-175.3	68.6	-67.5	0	0	0	113.6	Q665 I666 R667 L688 G693 K713 S716	Q665-Y690 HydrophobicContact CB-CE1 4.33Å; Q665-Y690 PolarHBondContact OE1-OH 2.75Å; I666-Y690 PolarHBondContact O-N 2.86Å; R667-Y690 WeakPolarHBondContact CA-O 3.16Å; R667-Y690 HydrophobicContact CB-CD1 3.92Å; R667-Y690 HydrophobicContact CB-CD2 4.38Å; R667-Y690 HydrophobicContact CB-CE1 3.98Å; R667-Y690 HydrophobicContact CB-CE2 4.42Å; R667-Y690 HydrophobicContact CB-CG 4.16Å; R667-Y690 WeakPolarHBondContact CB-O 3.27Å; R667-Y690 WeakPolarHBondContact CD-OH 3.39Å; R667-Y690 HydrophobicContact CG-CE1 4.41Å; R667-Y690 PolarHBondContact NH1-OH 3.25Å; L688-Y690 HydrophobicContact CD1-CD1 4.37Å; L688-Y690 HydrophobicContact CD2-CD1 3.99Å; L688-Y690 HydrophobicContact CD2-CE1 3.98Å; L688-Y690 HydrophobicContact CG-CD1 3.72Å; L688-Y690 HydrophobicContact CG-CE1 4.11Å; L688-Y690 HydrophobicContact CG-CG 4.44Å; Y690-G693 PolarHBondContact O-N 3.14Å; Y690-K713 WeakPolarHBondContact CA-O 3.36Å; Y690-S716 WeakPolarHBondContact CA-OG 3.29Å; Y690-S716 PolarHBondContact N-OG 2.69Å; Y690-S716 PolarHBondContact O-OG 3.1Å
691	N	96.4	Very high	95.7	Very high	66 Å²	66	28 Å²	28	35%	0.353	15%	0.151	S	C	.	.	S	Bend	trans	47.9	65.9	178.2	-58.5	6.4	0	0	0	112.3	R667 T668 G693 T714 S716	R667-N691 HydrophobicContact CB-CB 4.47Å; T668-N691 WeakPolarHBondContact CA-O 3.49Å; T668-N691 PolarHBondContact N-O 3.11Å; N691-G693 PolarHBondContact O-N 3.1Å; N691-T714 WeakPolarHBondContact CA-O 3.45Å; N691-T714 PolarHBondContact N-O 3.28Å; N691-T714 WeakPolarHBondContact OD1-CB 3.17Å; N691-T714 WeakPolarHBondContact OD1-CG2 3.32Å; N691-T714 PolarHBondContact OD1-OG1 3.05Å; N691-S716 PolarHBondContact N-OG 3.39Å
692	S	96.6	Very high	96	Very high	66 Å²	66	27.7 Å²	27.7	46%	0.462	15%	0.148	S	C	.	.	S	Bend	trans	58	41.2	-178.8	-49.5	0	0	0	0	114.2	G669 T714 S716	G669-S692 WeakPolarHBondContact CA-O 3.33Å; G669-S692 PolarHBondContact N-O 2.94Å; S692-T714 PolarHBondContact N-O 3.01Å; S692-S716 PolarHBondContact N-OG 3.44Å
693	G	97.6	Very high	96.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.159	C	C	.	.			trans	-77.8	145.5	169.8	0	0	0	0	0	112.2	Y690 N691 S716 N717	Y690-G693 PolarHBondContact O-N 3.14Å; N691-G693 PolarHBondContact O-N 3.1Å; G693-S716 PolarHBondContact N-OG 3.32Å; G693-S716 VanDerWaalsContact N-OG 3.1Å; G693-S716 WeakPolarHBondContact O-CA 3.37Å; G693-S716 WeakPolarHBondContact O-CB 3.22Å; G693-N717 PolarHBondContact O-N 3.18Å
694	L	96.9	Very high	96.7	Very high	70 Å²	70	28.3 Å²	28.3	37%	0.366	15%	0.152	S	C	.	.			trans	-126.7	1.7	-168.4	-63.4	178.3	0	0	0	115.3	S670 N671 N717	S670-L694 PolarHBondContact O-N 3.01Å; S670-L694 VanDerWaalsContact O-N 3.09Å; N671-L694 HydrophobicContact CB-CB 4Å; N671-L694 PolarHBondContact OD1-O 3.05Å; L694-N717 HydrophobicContact CD2-CB 4.09Å
695	G	96.5	Very high	97	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.137	C	C	.	.			trans	-50.7	144.7	-164.2	0	0	0	0	0	116.3	P718 T719	G695-P718 WeakPolarHBondContact O-CA 3.45Å; G695-P718 WeakPolarHBondContact O-CB 3.38Å; G695-T719 PolarHBondContact O-N 3.1Å; G695-T719 VanDerWaalsContact O-N 3.11Å
696	C	98.3	Very high	97.1	Very high	31 Å²	31	26.9 Å²	26.9	21%	0.209	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	112.8	175.8	-171.4	0	0	0	0	109.6	P672 I674 E698	P672-C696 PolarHBondContact O-N 2.98Å; I674-C696 PolarHBondContact N-O 3.36Å; C696-E698 VanDerWaalsContact SG-CG 3.59Å; C696-E698 PolarHBondContact SG-OE1 3.16Å
697	I	98.6	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	101.6	-167.9	-59	167.3	0	0	0	107.5	I666 I674 I687 V689 N700 P718 T719 L720 R721 N723	I666-I697 HydrophobicContact CD1-CD1 4.35Å; I674-I697 HydrophobicContact CB-CG1 4.41Å; I674-I697 HydrophobicContact CD1-CG1 4.27Å; I674-I697 CarbonylContact O-C 3.54Å; I674-I697 WeakPolarHBondContact O-CA 3.16Å; I687-I697 HydrophobicContact CD1-CD1 4.12Å; I687-I697 HydrophobicContact CD1-CG1 4.42Å; I687-I697 HydrophobicContact CD1-CG2 3.71Å; I687-I697 HydrophobicContact CG2-CD1 4.04Å; V689-I697 HydrophobicContact CG2-CD1 4.19Å; I697-N700 WeakPolarHBondContact CG2-ND2 3.21Å; I697-P718 HydrophobicContact CD1-CB 4.45Å; I697-T719 PolarHBondContact N-O 3.21Å; I697-L720 HydrophobicContact CB-CG 4.38Å; I697-L720 HydrophobicContact CD1-CD1 3.99Å; I697-L720 HydrophobicContact CD1-CG 4.44Å; I697-L720 CarbonylContact O-C 3.54Å; I697-L720 WeakPolarHBondContact O-CA 3.33Å; I697-R721 PolarHBondContact O-N 3.12Å; I697-N723 PolarHBondContact O-ND2 3.34Å; I697-N723 PolarHBondContact O-OD1 2.75Å
698	E	98.6	Very high	96.7	Very high	36 Å²	36	29 Å²	29	17%	0.168	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	136	-169.9	-45.2	-157.1	130.2	0	0	114.3	I674 R675 R676 C696 N700 R721	I674-E698 PolarHBondContact O-N 3.35Å; R675-E698 WeakPolarHBondContact CA-O 3.45Å; R675-E698 HydrophobicContact CB-CB 4.32Å; R675-E698 WeakPolarHBondContact CB-O 3.3Å; R676-E698 PolarHBondContact N-O 3.19Å; C696-E698 VanDerWaalsContact SG-CG 3.59Å; C696-E698 PolarHBondContact SG-OE1 3.16Å; E698-N700 PolarHBondContact N-ND2 3.1Å; E698-N700 VanDerWaalsContact N-ND2 3.15Å; E698-N700 PolarHBondContact O-N 2.82Å; E698-N700 VanDerWaalsContact O-N 3.11Å; E698-N700 PolarHBondContact O-ND2 2.92Å; E698-N700 VanDerWaalsContact O-ND2 3.07Å; E698-R721 CarbonylContact C-O 3.54Å; E698-R721 VanDerWaalsContact CA-O 3.24Å; E698-R721 WeakPolarHBondContact CA-O 3Å; E698-R721 HydrophobicContact CG-CB 4.29Å; E698-R721 IonicContact OE1-CZ 2.72Å; E698-R721 IonicContact OE1-NE 2.69Å; E698-R721 PolarHBondContact OE1-NE 2.86Å; E698-R721 IonicContact OE1-NH2 2.76Å; E698-R721 PolarHBondContact OE1-NH2 3.08Å; E698-R721 IonicContact OE2-CZ 3.78Å; E698-R721 IonicContact OE2-NE 2.72Å; E698-R721 IonicContact OE2-NH2 3.83Å; E698-R721 PolarHBondContact OE2-NH2 3.25Å
699	D	98.6	Very high	96.6	Very high	63 Å²	63	28.4 Å²	28.4	34%	0.337	16%	0.156	S	C	.	.	S	Bend	trans	57.4	24.8	172.5	-50.4	-69.8	0	0	0	115.1	R676 R721 R722 N723	R676-D699 VanDerWaalsContact CA-O 3.31Å; R676-D699 WeakPolarHBondContact CA-O 3.5Å; R676-D699 HydrophobicContact CG-CB 4.02Å; R676-D699 PolarHBondContact N-O 2.85Å; D699-R721 PolarHBondContact N-O 2.84Å; D699-R722 VanDerWaalsContact CG-NH2 3.33Å; D699-R722 WeakPolarHBondContact OD1-CB 3.36Å; D699-R722 IonicContact OD1-CZ 3.88Å; D699-R722 IonicContact OD1-NE 3.78Å; D699-R722 PolarHBondContact OD1-NE 2.89Å; D699-R722 IonicContact OD1-NH2 3.18Å; D699-R722 PolarHBondContact OD1-NH2 2.82Å; D699-R722 VanDerWaalsContact OD1-NH2 3.15Å; D699-R722 IonicContact OD2-CZ 3.13Å; D699-R722 IonicContact OD2-NE 3.6Å; D699-R722 IonicContact OD2-NH2 2.66Å; D699-R722 PolarHBondContact OD2-NH2 3.04Å; D699-N723 PolarHBondContact N-OD1 2.91Å
700	N	98.8	Very high	96.6	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.011	16%	0.156	C	C	.	.			trans	-89.2	162.3	179.2	-53.3	-84.9	0	0	0	112.6	I674 R675 R676 N677 I697 E698 I702 N723 K724	I674-N700 PolarHBondContact O-ND2 2.94Å; R675-N700 VanDerWaalsContact CA-OD1 3.26Å; R675-N700 WeakPolarHBondContact CA-OD1 3.26Å; R675-N700 PolarHBondContact N-OD1 3.31Å; R676-N700 PolarHBondContact N-OD1 2.97Å; R676-N700 VanDerWaalsContact N-OD1 3.17Å; N677-N700 PolarHBondContact N-OD1 2.84Å; N677-N700 PolarHBondContact ND2-OD1 2.84Å; N677-N700 WeakPolarHBondContact O-CA 3.49Å; I697-N700 WeakPolarHBondContact CG2-ND2 3.21Å; E698-N700 PolarHBondContact N-ND2 3.1Å; E698-N700 VanDerWaalsContact N-ND2 3.15Å; E698-N700 PolarHBondContact O-N 2.82Å; E698-N700 VanDerWaalsContact O-N 3.11Å; E698-N700 PolarHBondContact O-ND2 2.92Å; E698-N700 VanDerWaalsContact O-ND2 3.07Å; N700-I702 HydrophobicContact CB-CG1 4.38Å; N700-N723 WeakPolarHBondContact CB-OD1 3.21Å; N700-N723 PolarHBondContact N-OD1 2.88Å; N700-N723 PolarHBondContact ND2-OD1 2.99Å; N700-N723 CarbonylContact O-C 3.54Å; N700-N723 VanDerWaalsContact O-CA 3.32Å; N700-N723 WeakPolarHBondContact O-CA 3.41Å; N700-K724 PolarHBondContact O-N 3.23Å
701	E	98.7	Very high	96.6	Very high	48 Å²	48	30 Å²	30	22%	0.224	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	114.6	178.7	-171.5	164	-101.7	0	0	109.3	N677 K678 I679 F703 K724	N677-E701 PolarHBondContact O-N 2.97Å; K678-E701 WeakPolarHBondContact CA-O 3.18Å; K678-E701 VanDerWaalsContact CE-OE2 3.27Å; K678-E701 WeakPolarHBondContact CE-OE2 3.43Å; K678-E701 HydrophobicContact CG-CB 4.35Å; K678-E701 IonicContact NZ-OE2 3.21Å; I679-E701 PolarHBondContact N-O 2.87Å; E701-F703 HydrophobicContact CG-CD1 4.17Å; E701-F703 HydrophobicContact CG-CE1 4.43Å; E701-K724 HydrophobicContact CG-CD 4.44Å; E701-K724 WeakPolarHBondContact OE1-CD 3.26Å; E701-K724 IonicContact OE1-NZ 2.93Å; E701-K724 PolarHBondContact OE1-NZ 2.99Å
702	I	98.6	Very high	96.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	115.2	-167.4	-52.3	175.7	0	0	0	109.1	I679 I687 N700 G709 V710 K724 I725 H726	I679-I702 HydrophobicContact CB-CG1 4.38Å; I679-I702 HydrophobicContact CB-CG2 4.46Å; I679-I702 HydrophobicContact CD1-CG1 4.48Å; I679-I702 WeakPolarHBondContact O-CA 3.14Å; I687-I702 HydrophobicContact CD1-CD1 3.64Å; I687-I702 HydrophobicContact CG1-CD1 4.04Å; N700-I702 HydrophobicContact CB-CG1 4.38Å; I702-G709 WeakPolarHBondContact CG2-O 3.5Å; I702-V710 HydrophobicContact CD1-CG2 3.64Å; I702-K724 PolarHBondContact N-O 2.95Å; I702-I725 HydrophobicContact CB-CG1 4.41Å; I702-I725 HydrophobicContact CD1-CG1 4.38Å; I702-I725 WeakPolarHBondContact O-CA 3.06Å; I702-H726 PolarHBondContact O-N 3.09Å
703	F	97.9	Very high	96.6	Very high	52 Å²	52	26 Å²	26	23%	0.228	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	166.1	-168.7	64.6	-85.9	0	0	0	114.9	I679 W680 E701 N705 H726	I679-F703 PolarHBondContact O-N 3.26Å; I679-F703 VanDerWaalsContact O-N 3.11Å; W680-F703 WeakPolarHBondContact CA-O 3.3Å; W680-F703 HydrophobicContact CB-CD1 4.17Å; W680-F703 HydrophobicContact CB-CD2 3.75Å; W680-F703 HydrophobicContact CB-CE1 3.95Å; W680-F703 HydrophobicContact CB-CE2 3.51Å; W680-F703 HydrophobicContact CB-CG 4.07Å; W680-F703 HydrophobicContact CB-CZ 3.62Å; W680-F703 WeakPolarHBondContact CB-O 3.36Å; W680-F703 AromaticContact CD1-CE2 3.94Å; W680-F703 HydrophobicContact CD2-CE1 4.24Å; W680-F703 HydrophobicContact CD2-CE2 4.13Å; W680-F703 AromaticContact CD2-CZ 3.6Å; W680-F703 HydrophobicContact CD2-CZ 3.6Å; W680-F703 HydrophobicContact CE3-CE1 4.09Å; W680-F703 AromaticContact CE3-CZ 3.85Å; W680-F703 HydrophobicContact CE3-CZ 3.85Å; W680-F703 HydrophobicContact CG-CD2 4.32Å; W680-F703 HydrophobicContact CG-CE1 4.24Å; W680-F703 AromaticContact CG-CE2 3.58Å; W680-F703 HydrophobicContact CG-CE2 3.58Å; W680-F703 AromaticContact CG-CZ 3.53Å; W680-F703 HydrophobicContact CG-CZ 3.53Å; E701-F703 HydrophobicContact CG-CD1 4.17Å; E701-F703 HydrophobicContact CG-CE1 4.43Å; F703-N705 PolarHBondContact O-N 3.18Å; F703-N705 PolarHBondContact O-ND2 3.06Å; F703-H726 WeakPolarHBondContact CA-O 3.46Å; F703-H726 WeakPolarHBondContact CB-O 3.33Å
704	D	95.1	Very high	96.5	Very high	59 Å²	59	28.4 Å²	28.4	32%	0.316	15%	0.148	S	C	.	.			trans	38.7	47	-179.2	-169.7	28.7	0	0	0	114.3	G681 D727 R729	G681-D704 VanDerWaalsContact CA-O 3.22Å; G681-D704 WeakPolarHBondContact CA-O 3.19Å; G681-D704 PolarHBondContact N-O 2.88Å; D704-D727 WeakPolarHBondContact CA-O 3.21Å; D704-D727 PolarHBondContact N-O 3.43Å; D704-R729 IonicContact OD1-CZ 2.98Å; D704-R729 VanDerWaalsContact OD1-CZ 3.25Å; D704-R729 IonicContact OD1-NE 3.18Å; D704-R729 PolarHBondContact OD1-NE 2.89Å; D704-R729 IonicContact OD1-NH2 3.55Å; D704-R729 PolarHBondContact OD1-NH2 3.2Å; D704-R729 IonicContact OD2-NH2 2.87Å; D704-R729 PolarHBondContact OD2-NH2 3.35Å
705	N	93.5	Very high	96.5	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	15%	0.151	C	C	.	.			trans	-94.7	145.3	169.9	-64.8	-74.5	0	0	0	108.7	I679 G681 G682 F703 M707 R729	I679-N705 PolarHBondContact O-ND2 2.95Å; G681-N705 PolarHBondContact N-OD1 3.25Å; G682-N705 WeakPolarHBondContact CA-OD1 3.26Å; G682-N705 PolarHBondContact N-OD1 3.32Å; F703-N705 PolarHBondContact O-N 3.18Å; F703-N705 PolarHBondContact O-ND2 3.06Å; N705-M707 CarbonylContact C-O 3.59Å; N705-M707 WeakPolarHBondContact CB-O 3.37Å; N705-R729 PolarHBondContact O-N 2.9Å
706	A	91.7	Very high	96.6	Very high	31 Å²	31	28.9 Å²	28.9	26%	0.256	15%	0.151	S	C	.	.	S	Bend	trans	-76.4	-31.8	-173.6	0	0	0	0	0	112.7	G682	G682-A706 PolarHBondContact O-N 3.39Å
707	M	92.7	Very high	96.5	Very high	46 Å²	46	31.2 Å²	31.2	23%	0.227	16%	0.161	C	C	.	.	S	Bend	trans	-109.2	-178.2	164.6	-58.3	-170.4	84	0	0	110.2	Q683 N705 W711	Q683-M707 WeakPolarHBondContact O-CG 3.48Å; N705-M707 CarbonylContact C-O 3.59Å; N705-M707 WeakPolarHBondContact CB-O 3.37Å; M707-W711 HydrophobicContact CE-CH2 3.78Å; M707-W711 HydrophobicContact CE-CZ3 3.55Å; M707-W711 HydrophobicContact SD-CZ3 4.03Å
708	A	93.3	Very high	96.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.161	C	C	.	.			trans	-43.7	139.7	-173.6	0	0	0	0	0	115.8	G685 G686 V710 D730 G731 C734	G685-A708 WeakPolarHBondContact CA-O 3.34Å; G686-A708 PolarHBondContact N-O 3.28Å; G686-A708 VanDerWaalsContact N-O 3.16Å; A708-V710 PolarHBondContact O-N 3.19Å; A708-D730 PolarHBondContact N-OD2 3.14Å; A708-G731 WeakPolarHBondContact CA-O 3.16Å; A708-C734 HydrophobicContact CB-CB 3.75Å
709	G	95.9	Very high	96.5	Very high	2 Å²	2	31.7 Å²	31.7	2%	0.021	17%	0.166	C	C	.	.	S	Bend	trans	-59	-49.2	180	0	0	0	0	0	112.2	G686 I687 I702 G731 G732	G686-G709 CarbonylContact C-O 3.59Å; G686-G709 WeakPolarHBondContact CA-O 3.45Å; G686-G709 PolarHBondContact N-O 3.49Å; I687-G709 PolarHBondContact N-O 3.34Å; I702-G709 WeakPolarHBondContact CG2-O 3.5Å; G709-G731 PolarHBondContact N-O 2.89Å; G709-G732 WeakPolarHBondContact CA-O 3.32Å; G709-G732 PolarHBondContact N-O 2.92Å
710	V	98.1	Very high	96.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	132.4	164.6	-175.1	0	0	0	0	110.4	I687 I702 A708 I712 L720 I725 G732 I733 C734	I687-V710 HydrophobicContact CB-CG1 4.22Å; I687-V710 HydrophobicContact CB-CG2 4.22Å; I687-V710 HydrophobicContact CD1-CG2 4.48Å; I687-V710 CarbonylContact O-C 3.59Å; I687-V710 WeakPolarHBondContact O-CA 3.37Å; I702-V710 HydrophobicContact CD1-CG2 3.64Å; A708-V710 PolarHBondContact O-N 3.19Å; V710-I712 HydrophobicContact CG1-CG1 4.27Å; V710-L720 HydrophobicContact CB-CD2 4.21Å; V710-L720 HydrophobicContact CG1-CD2 4.04Å; V710-L720 HydrophobicContact CG2-CD2 4.28Å; V710-I725 HydrophobicContact CG2-CD1 3.91Å; V710-G732 PolarHBondContact N-O 3.32Å; V710-I733 HydrophobicContact CB-CG1 4.47Å; V710-I733 HydrophobicContact CB-CG2 4.42Å; V710-I733 CarbonylContact O-C 3.58Å; V710-I733 VanDerWaalsContact O-CA 3.28Å; V710-I733 WeakPolarHBondContact O-CA 3.35Å; V710-C734 PolarHBondContact O-N 2.94Å
711	W	96.9	Very high	96.5	Very high	56 Å²	56	32.1 Å²	32.1	21%	0.212	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126.2	176.7	-160.6	-7	0	0	0	110.1	I687 L688 V689 M707 C734 F736	I687-W711 PolarHBondContact O-N 2.91Å; L688-W711 WeakPolarHBondContact CA-O 3.29Å; L688-W711 HydrophobicContact CD1-CB 3.79Å; L688-W711 HydrophobicContact CD1-CD2 4.26Å; L688-W711 HydrophobicContact CD1-CE3 4.44Å; L688-W711 HydrophobicContact CD1-CG 3.97Å; V689-W711 PolarHBondContact N-O 2.7Å; M707-W711 HydrophobicContact CE-CH2 3.78Å; M707-W711 HydrophobicContact CE-CZ3 3.55Å; M707-W711 HydrophobicContact SD-CZ3 4.03Å; W711-C734 CarbonylContact C-O 3.55Å; W711-C734 WeakPolarHBondContact CA-O 3.41Å; W711-C734 HydrophobicContact CG-CB 4.12Å; W711-F736 AromaticContact NE1-CD2 3.45Å
712	I	97.9	Very high	96.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.1	179.2	-50.7	172.4	0	0	0	108.2	V689 V710 P718 L720 I733 C734 I735 F736 L743	V689-I712 CarbonylContact O-C 3.48Å; V689-I712 WeakPolarHBondContact O-CA 3.48Å; V710-I712 HydrophobicContact CG1-CG1 4.27Å; I712-P718 HydrophobicContact CD1-CG 3.6Å; I712-P718 HydrophobicContact CG1-CG 3.88Å; I712-P718 HydrophobicContact CG2-CG 4.02Å; I712-L720 HydrophobicContact CD1-CD1 4.21Å; I712-I733 HydrophobicContact CD1-CG2 4.43Å; I712-C734 PolarHBondContact N-O 3.14Å; I712-I735 HydrophobicContact CB-CG1 4.44Å; I712-I735 HydrophobicContact CB-CG2 4.32Å; I712-I735 HydrophobicContact CD1-CD1 4.17Å; I712-I735 HydrophobicContact CD1-CG1 4.2Å; I712-I735 WeakPolarHBondContact O-CA 3.46Å; I712-F736 PolarHBondContact O-N 3.14Å; I712-L743 HydrophobicContact CD1-CD1 4.33Å
713	K	95.3	Very high	96.5	Very high	49 Å²	49	33.8 Å²	33.8	21%	0.213	17%	0.168	C	C	.	.			trans	-148.8	169.6	177.8	68.6	-171	-173.2	-169.2	0	115.3	L688 V689 Y690 S716 F736	L688-K713 HydrophobicContact CD1-CD 4.27Å; L688-K713 HydrophobicContact CD1-CG 4.4Å; V689-K713 PolarHBondContact O-N 2.75Å; Y690-K713 WeakPolarHBondContact CA-O 3.36Å; K713-S716 VanDerWaalsContact O-CB 3.26Å; K713-S716 WeakPolarHBondContact O-CB 3.23Å; K713-S716 PolarHBondContact O-N 2.98Å; K713-S716 PolarHBondContact O-OG 3.35Å; K713-F736 VanDerWaalsContact CA-O 3.27Å; K713-F736 WeakPolarHBondContact CA-O 3.36Å; K713-F736 HydrophobicContact CB-CB 4.25Å
714	T	95.4	Very high	96.6	Very high	51 Å²	51	35.6 Å²	35.6	31%	0.313	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	68.5	174	-40.4	0	0	0	0	111.9	N691 S692 S716 N737	N691-T714 WeakPolarHBondContact CA-O 3.45Å; N691-T714 PolarHBondContact N-O 3.28Å; N691-T714 WeakPolarHBondContact OD1-CB 3.17Å; N691-T714 WeakPolarHBondContact OD1-CG2 3.32Å; N691-T714 PolarHBondContact OD1-OG1 3.05Å; S692-T714 PolarHBondContact N-O 3.01Å; T714-S716 PolarHBondContact O-N 3.16Å; T714-N737 WeakPolarHBondContact CA-O 3.38Å; T714-N737 PolarHBondContact N-O 2.72Å
715	D	96.1	Very high	96.7	Very high	80 Å²	80	32.9 Å²	32.9	43%	0.428	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	15.4	178.4	-69.1	-78.5	0	0	0	116.4	N737 R740	D715-N737 PolarHBondContact N-O 2.86Å; D715-R740 IonicContact OD1-NH2 2.87Å; D715-R740 PolarHBondContact OD1-NH2 3.05Å
716	S	97.9	Very high	96.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.			trans	-67	146.2	174.4	-60.7	0	0	0	0	112	Y690 N691 S692 G693 K713 T714 R740	Y690-S716 WeakPolarHBondContact CA-OG 3.29Å; Y690-S716 PolarHBondContact N-OG 2.69Å; Y690-S716 PolarHBondContact O-OG 3.1Å; N691-S716 PolarHBondContact N-OG 3.39Å; S692-S716 PolarHBondContact N-OG 3.44Å; G693-S716 PolarHBondContact N-OG 3.32Å; G693-S716 VanDerWaalsContact N-OG 3.1Å; G693-S716 WeakPolarHBondContact O-CA 3.37Å; G693-S716 WeakPolarHBondContact O-CB 3.22Å; K713-S716 VanDerWaalsContact O-CB 3.26Å; K713-S716 WeakPolarHBondContact O-CB 3.23Å; K713-S716 PolarHBondContact O-N 2.98Å; K713-S716 PolarHBondContact O-OG 3.35Å; T714-S716 PolarHBondContact O-N 3.16Å; S716-R740 PolarHBondContact O-N 3.19Å
717	N	97.8	Very high	97.1	Very high	79 Å²	79	35.3 Å²	35.3	42%	0.422	17%	0.169	S	C	.	.			trans	-140.9	63.2	-172.9	-173.8	46.5	0	0	0	111.7	G693 L694 R740 G741	G693-N717 PolarHBondContact O-N 3.18Å; L694-N717 HydrophobicContact CD2-CB 4.09Å; N717-R740 HydrophobicContact CB-CB 4.18Å; N717-R740 WeakPolarHBondContact OD1-CB 3.26Å; N717-G741 VanDerWaalsContact OD1-CA 3.31Å; N717-G741 WeakPolarHBondContact OD1-CA 3.3Å; N717-G741 PolarHBondContact OD1-N 2.85Å; N717-G741 VanDerWaalsContact OD1-N 3.1Å
718	P	98.3	Very high	97	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.16	C	C	.	.			trans	-75.1	167.1	177.5	33.8	-36.8	0	0	0	112.5	V689 G695 I697 I712 L720 G741 L742	V689-P718 HydrophobicContact CB-CG 4.3Å; V689-P718 HydrophobicContact CG1-CB 4.22Å; V689-P718 HydrophobicContact CG1-CG 4.15Å; V689-P718 HydrophobicContact CG2-CB 4.28Å; V689-P718 HydrophobicContact CG2-CG 4.18Å; G695-P718 WeakPolarHBondContact O-CA 3.45Å; G695-P718 WeakPolarHBondContact O-CB 3.38Å; I697-P718 HydrophobicContact CD1-CB 4.45Å; I712-P718 HydrophobicContact CD1-CG 3.6Å; I712-P718 HydrophobicContact CG1-CG 3.88Å; I712-P718 HydrophobicContact CG2-CG 4.02Å; P718-L720 HydrophobicContact CB-CD1 3.91Å; P718-L720 HydrophobicContact CG-CD1 3.79Å; P718-G741 WeakPolarHBondContact O-CA 3.44Å; P718-L742 PolarHBondContact O-N 3.39Å
719	T	98.6	Very high	96.9	Very high	46 Å²	46	40.5 Å²	40.5	28%	0.282	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	122.6	168.3	-60.3	0	0	0	0	109.2	G695 I697 L742	G695-T719 PolarHBondContact O-N 3.1Å; G695-T719 VanDerWaalsContact O-N 3.11Å; I697-T719 PolarHBondContact N-O 3.21Å; T719-L742 WeakPolarHBondContact CA-O 3.45Å; T719-L742 HydrophobicContact CG2-CB 4.4Å; T719-L742 HydrophobicContact CG2-CD2 4.5Å
720	L	98.6	Very high	96.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	111.7	177.4	-80.7	65.7	0	0	0	108.2	I697 V710 I712 P718 I733 L742 L743 E744 N746	I697-L720 HydrophobicContact CB-CG 4.38Å; I697-L720 HydrophobicContact CD1-CD1 3.99Å; I697-L720 HydrophobicContact CD1-CG 4.44Å; I697-L720 CarbonylContact O-C 3.54Å; I697-L720 WeakPolarHBondContact O-CA 3.33Å; V710-L720 HydrophobicContact CB-CD2 4.21Å; V710-L720 HydrophobicContact CG1-CD2 4.04Å; V710-L720 HydrophobicContact CG2-CD2 4.28Å; I712-L720 HydrophobicContact CD1-CD1 4.21Å; P718-L720 HydrophobicContact CB-CD1 3.91Å; P718-L720 HydrophobicContact CG-CD1 3.79Å; L720-I733 HydrophobicContact CD2-CD1 3.74Å; L720-I733 HydrophobicContact CD2-CG1 4.41Å; L720-L742 PolarHBondContact N-O 2.8Å; L720-L743 HydrophobicContact CB-CD1 4.34Å; L720-L743 HydrophobicContact CB-CG 4.23Å; L720-L743 HydrophobicContact CD1-CD1 4.48Å; L720-L743 HydrophobicContact CD2-CD1 4.27Å; L720-L743 HydrophobicContact CD2-CG 4.2Å; L720-L743 CarbonylContact O-C 3.53Å; L720-L743 WeakPolarHBondContact O-CA 3.48Å; L720-E744 PolarHBondContact O-N 2.99Å; L720-N746 PolarHBondContact O-ND2 3.19Å; L720-N746 PolarHBondContact O-OD1 2.88Å
721	R	98.7	Very high	96.4	Very high	75 Å²	75	42.4 Å²	42.4	28%	0.283	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	125.1	-175.9	-165.2	163.6	61.6	127.2	2.2	113.5	I697 E698 D699 N723 E744	I697-R721 PolarHBondContact O-N 3.12Å; E698-R721 CarbonylContact C-O 3.54Å; E698-R721 VanDerWaalsContact CA-O 3.24Å; E698-R721 WeakPolarHBondContact CA-O 3Å; E698-R721 HydrophobicContact CG-CB 4.29Å; E698-R721 IonicContact OE1-CZ 2.72Å; E698-R721 IonicContact OE1-NE 2.69Å; E698-R721 PolarHBondContact OE1-NE 2.86Å; E698-R721 IonicContact OE1-NH2 2.76Å; E698-R721 PolarHBondContact OE1-NH2 3.08Å; E698-R721 IonicContact OE2-CZ 3.78Å; E698-R721 IonicContact OE2-NE 2.72Å; E698-R721 IonicContact OE2-NH2 3.83Å; E698-R721 PolarHBondContact OE2-NH2 3.25Å; D699-R721 PolarHBondContact N-O 2.84Å; R721-N723 PolarHBondContact N-ND2 2.99Å; R721-N723 VanDerWaalsContact N-ND2 3.14Å; R721-N723 PolarHBondContact O-N 2.99Å; R721-N723 VanDerWaalsContact O-N 3.14Å; R721-N723 PolarHBondContact O-ND2 3.31Å; R721-E744 CarbonylContact C-O 3.57Å; R721-E744 VanDerWaalsContact CA-O 3.26Å; R721-E744 WeakPolarHBondContact CA-O 3.27Å; R721-E744 HydrophobicContact CG-CB 4.35Å
722	R	98.6	Very high	96.3	Very high	83 Å²	83	39.7 Å²	39.7	31%	0.313	19%	0.187	S	C	.	.	S	Bend	trans	54	26.2	177.3	-59.4	-178.2	-54.9	-78.3	-13.7	116	D699 E744 E745 N746	D699-R722 VanDerWaalsContact CG-NH2 3.33Å; D699-R722 WeakPolarHBondContact OD1-CB 3.36Å; D699-R722 IonicContact OD1-CZ 3.88Å; D699-R722 IonicContact OD1-NE 3.78Å; D699-R722 PolarHBondContact OD1-NE 2.89Å; D699-R722 IonicContact OD1-NH2 3.18Å; D699-R722 PolarHBondContact OD1-NH2 2.82Å; D699-R722 VanDerWaalsContact OD1-NH2 3.15Å; D699-R722 IonicContact OD2-CZ 3.13Å; D699-R722 IonicContact OD2-NE 3.6Å; D699-R722 IonicContact OD2-NH2 2.66Å; D699-R722 PolarHBondContact OD2-NH2 3.04Å; R722-E744 PolarHBondContact N-O 2.9Å; R722-E745 WeakPolarHBondContact CA-O 3.39Å; R722-E745 HydrophobicContact CG-CB 3.87Å; R722-N746 PolarHBondContact N-OD1 2.96Å
723	N	98.8	Very high	96.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.187	C	C	.	.			trans	-78.1	154.2	174.5	-53.8	-81.8	0	0	0	110.7	I697 D699 N700 R721 I725 N746 D747	I697-N723 PolarHBondContact O-ND2 3.34Å; I697-N723 PolarHBondContact O-OD1 2.75Å; D699-N723 PolarHBondContact N-OD1 2.91Å; N700-N723 WeakPolarHBondContact CB-OD1 3.21Å; N700-N723 PolarHBondContact N-OD1 2.88Å; N700-N723 PolarHBondContact ND2-OD1 2.99Å; N700-N723 CarbonylContact O-C 3.54Å; N700-N723 VanDerWaalsContact O-CA 3.32Å; N700-N723 WeakPolarHBondContact O-CA 3.41Å; R721-N723 PolarHBondContact N-ND2 2.99Å; R721-N723 VanDerWaalsContact N-ND2 3.14Å; R721-N723 PolarHBondContact O-N 2.99Å; R721-N723 VanDerWaalsContact O-N 3.14Å; R721-N723 PolarHBondContact O-ND2 3.31Å; N723-I725 HydrophobicContact CB-CD1 4.44Å; N723-I725 HydrophobicContact CB-CG1 4.28Å; N723-N746 WeakPolarHBondContact CB-OD1 3.4Å; N723-N746 PolarHBondContact N-OD1 3.09Å; N723-N746 PolarHBondContact ND2-OD1 3.19Å; N723-N746 WeakPolarHBondContact O-CA 3.34Å; N723-N746 WeakPolarHBondContact O-CB 3.49Å; N723-D747 PolarHBondContact O-N 3.1Å
724	K	98.8	Very high	96.4	Very high	90 Å²	90	37.6 Å²	37.6	39%	0.391	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	128.5	164.8	-53.1	-178.4	-160.4	160.6	0	109.1	N700 E701 I702 D747 F749	N700-K724 PolarHBondContact O-N 3.23Å; E701-K724 HydrophobicContact CG-CD 4.44Å; E701-K724 WeakPolarHBondContact OE1-CD 3.26Å; E701-K724 IonicContact OE1-NZ 2.93Å; E701-K724 PolarHBondContact OE1-NZ 2.99Å; I702-K724 PolarHBondContact N-O 2.95Å; K724-D747 CarbonylContact C-O 3.5Å; K724-D747 WeakPolarHBondContact CA-O 3.21Å; K724-F749 HydrophobicContact CB-CE1 4.42Å
725	I	98.6	Very high	96.5	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	102.8	-177.1	-53.4	172.4	0	0	0	109.2	I702 V710 N723 G732 I733 D747 I748 F749 N751	I702-I725 HydrophobicContact CB-CG1 4.41Å; I702-I725 HydrophobicContact CD1-CG1 4.38Å; I702-I725 WeakPolarHBondContact O-CA 3.06Å; V710-I725 HydrophobicContact CG2-CD1 3.91Å; N723-I725 HydrophobicContact CB-CD1 4.44Å; N723-I725 HydrophobicContact CB-CG1 4.28Å; I725-G732 VanDerWaalsContact CG2-O 3.32Å; I725-G732 WeakPolarHBondContact CG2-O 3.41Å; I725-I733 HydrophobicContact CD1-CD1 3.75Å; I725-I733 HydrophobicContact CD1-CG1 3.64Å; I725-D747 PolarHBondContact N-O 2.97Å; I725-I748 HydrophobicContact CB-CG1 4.5Å; I725-I748 WeakPolarHBondContact O-CA 3.44Å; I725-F749 PolarHBondContact O-N 2.93Å; I725-F749 VanDerWaalsContact O-N 3.1Å; I725-N751 PolarHBondContact O-ND2 3.26Å
726	H	97.8	Very high	96.5	Very high	20 Å²	20	33.6 Å²	33.6	9%	0.093	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	162.3	-162.9	61.7	93.2	0	0	0	116.7	I702 F703 G728 F749 N751	I702-H726 PolarHBondContact O-N 3.09Å; F703-H726 WeakPolarHBondContact CA-O 3.46Å; F703-H726 WeakPolarHBondContact CB-O 3.33Å; H726-G728 PolarHBondContact O-N 2.86Å; H726-F749 WeakPolarHBondContact CA-O 3.38Å; H726-F749 HydrophobicContact CB-CD1 4.17Å; H726-F749 HydrophobicContact CB-CD2 3.4Å; H726-F749 VanDerWaalsContact CB-CD2 3.4Å; H726-F749 HydrophobicContact CB-CE1 3.99Å; H726-F749 HydrophobicContact CB-CE2 3.19Å; H726-F749 HydrophobicContact CB-CG 3.9Å; H726-F749 HydrophobicContact CB-CZ 3.52Å; H726-F749 WeakPolarHBondContact CB-O 3.2Å; H726-F749 AromaticContact CD2-CE2 3.93Å; H726-F749 AromaticContact CD2-CZ 3.49Å; H726-F749 VanDerWaalsContact CD2-CZ 3.49Å; H726-F749 WeakPolarHBondContact CD2-CZ 3.23Å; H726-F749 AromaticContact CG-CE2 3.38Å; H726-F749 AromaticContact CG-CZ 3.45Å; H726-F749 VanDerWaalsContact CG-CZ 3.45Å; H726-F749 AromaticContact ND1-CE2 3.85Å; H726-N751 VanDerWaalsContact C-OD1 3.28Å; H726-N751 WeakPolarHBondContact CA-OD1 3.37Å
727	D	95.2	Very high	96.4	Very high	64 Å²	64	36.9 Å²	36.9	34%	0.342	17%	0.17	S	C	.	.	S	Bend	trans	52.7	26	177.1	-53.1	-59.5	0	0	0	113.6	D704 F749 R750 N751	D704-D727 WeakPolarHBondContact CA-O 3.21Å; D704-D727 PolarHBondContact N-O 3.43Å; D727-F749 PolarHBondContact N-O 2.86Å; D727-R750 WeakPolarHBondContact OD1-CB 3.19Å; D727-R750 IonicContact OD1-CZ 3.84Å; D727-R750 IonicContact OD1-NE 2.75Å; D727-R750 PolarHBondContact OD1-NE 3.14Å; D727-R750 IonicContact OD1-NH2 3.53Å; D727-R750 PolarHBondContact OD1-NH2 3.28Å; D727-R750 IonicContact OD2-CZ 2.66Å; D727-R750 IonicContact OD2-NE 3.12Å; D727-R750 IonicContact OD2-NH2 3.55Å; D727-R750 PolarHBondContact OD2-NH2 3.33Å; D727-N751 PolarHBondContact N-OD1 3.15Å
728	G	91.1	Very high	96.3	Very high	5 Å²	5	33.7 Å²	33.7	5%	0.052	16%	0.156	C	C	.	.			trans	-80.6	151.7	175	0	0	0	0	0	112.5	H726 D730 N751 A752	H726-G728 PolarHBondContact O-N 2.86Å; G728-D730 VanDerWaalsContact C-N 3.27Å; G728-D730 PolarHBondContact O-N 3.19Å; G728-N751 PolarHBondContact N-OD1 2.85Å; G728-A752 PolarHBondContact O-N 3.11Å
729	R	91.3	Very high	96.2	Very high	150 Å²	150	33.7 Å²	33.7	57%	0.566	16%	0.156	S	C	*	.	S	Bend	trans	-84.1	-2	-174.9	-50.2	-176.6	-166.7	-174.8	2.4	114	D704 N705 A752	D704-R729 IonicContact OD1-CZ 2.98Å; D704-R729 VanDerWaalsContact OD1-CZ 3.25Å; D704-R729 IonicContact OD1-NE 3.18Å; D704-R729 PolarHBondContact OD1-NE 2.89Å; D704-R729 IonicContact OD1-NH2 3.55Å; D704-R729 PolarHBondContact OD1-NH2 3.2Å; D704-R729 IonicContact OD2-NH2 2.87Å; D704-R729 PolarHBondContact OD2-NH2 3.35Å; N705-R729 PolarHBondContact O-N 2.9Å; R729-A752 WeakPolarHBondContact O-CB 3.32Å
730	D	90.9	Very high	96.1	Very high	40 Å²	40	37 Å²	37	21%	0.214	16%	0.164	C	C	.	.	S	Bend	trans	-131.8	-151	178.8	-177.3	16.3	0	0	0	108.8	A708 G728 A752 Q753	A708-D730 PolarHBondContact N-OD2 3.14Å; G728-D730 VanDerWaalsContact C-N 3.27Å; G728-D730 PolarHBondContact O-N 3.19Å; D730-A752 PolarHBondContact O-N 3.44Å; D730-Q753 PolarHBondContact O-N 3.27Å; D730-Q753 VanDerWaalsContact O-N 3.1Å
731	G	91.4	Very high	96	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.01	17%	0.166	C	C	.	.			trans	-71.4	155.1	175.7	0	0	0	0	0	113.8	A708 G709 A754	A708-G731 WeakPolarHBondContact CA-O 3.16Å; G709-G731 PolarHBondContact N-O 2.89Å; G731-A754 CarbonylContact C-O 3.53Å; G731-A754 WeakPolarHBondContact CA-O 3.19Å
732	G	95.9	Very high	95.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-66.6	-60.8	175	0	0	0	0	0	111.3	G709 V710 I725 N751 A754 G755	G709-G732 WeakPolarHBondContact CA-O 3.32Å; G709-G732 PolarHBondContact N-O 2.92Å; V710-G732 PolarHBondContact N-O 3.32Å; I725-G732 VanDerWaalsContact CG2-O 3.32Å; I725-G732 WeakPolarHBondContact CG2-O 3.41Å; G732-N751 WeakPolarHBondContact CA-ND2 3.25Å; G732-A754 PolarHBondContact N-O 2.99Å; G732-G755 CarbonylContact C-O 3.43Å; G732-G755 VanDerWaalsContact CA-O 3.22Å; G732-G755 WeakPolarHBondContact CA-O 3.13Å; G732-G755 PolarHBondContact N-O 3.1Å
733	I	98.1	Very high	95.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.4	170.8	-52.4	172.3	0	0	0	110	V710 I712 L720 I725 I735 L743 I748 G755 V756 L757	V710-I733 HydrophobicContact CB-CG1 4.47Å; V710-I733 HydrophobicContact CB-CG2 4.42Å; V710-I733 CarbonylContact O-C 3.58Å; V710-I733 VanDerWaalsContact O-CA 3.28Å; V710-I733 WeakPolarHBondContact O-CA 3.35Å; I712-I733 HydrophobicContact CD1-CG2 4.43Å; L720-I733 HydrophobicContact CD2-CD1 3.74Å; L720-I733 HydrophobicContact CD2-CG1 4.41Å; I725-I733 HydrophobicContact CD1-CD1 3.75Å; I725-I733 HydrophobicContact CD1-CG1 3.64Å; I733-I735 HydrophobicContact CG2-CD1 4.09Å; I733-I735 HydrophobicContact CG2-CG1 3.85Å; I733-L743 HydrophobicContact CD1-CD2 3.51Å; I733-L743 HydrophobicContact CD1-CG 4Å; I733-L743 HydrophobicContact CG2-CD2 4.3Å; I733-I748 HydrophobicContact CD1-CD1 3.48Å; I733-I748 VanDerWaalsContact CD1-CD1 3.48Å; I733-I748 HydrophobicContact CD1-CG1 4.46Å; I733-I748 HydrophobicContact CG1-CD1 4.04Å; I733-G755 PolarHBondContact N-O 3.41Å; I733-V756 HydrophobicContact CB-CG1 4.24Å; I733-V756 HydrophobicContact CB-CG2 4.27Å; I733-V756 HydrophobicContact CD1-CG2 4.42Å; I733-V756 CarbonylContact O-C 3.38Å; I733-V756 VanDerWaalsContact O-CA 3.32Å; I733-V756 WeakPolarHBondContact O-CA 3.28Å; I733-L757 PolarHBondContact O-N 3.49Å
734	C	96.9	Very high	95.9	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.027	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.9	177.5	-82.6	0	0	0	0	110.3	A708 V710 W711 I712 F736 L757	A708-C734 HydrophobicContact CB-CB 3.75Å; V710-C734 PolarHBondContact O-N 2.94Å; W711-C734 CarbonylContact C-O 3.55Å; W711-C734 WeakPolarHBondContact CA-O 3.41Å; W711-C734 HydrophobicContact CG-CB 4.12Å; I712-C734 PolarHBondContact N-O 3.14Å; C734-F736 HydrophobicContact CB-CD2 4.1Å; C734-F736 HydrophobicContact CB-CE2 3.75Å; C734-L757 CarbonylContact C-O 3.6Å
735	I	97.8	Very high	95.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	115.4	-175.1	-48.4	-175.5	0	0	0	109.5	I712 I733 L743 V756 L757 I758 S759 S762 P764	I712-I735 HydrophobicContact CB-CG1 4.44Å; I712-I735 HydrophobicContact CB-CG2 4.32Å; I712-I735 HydrophobicContact CD1-CD1 4.17Å; I712-I735 HydrophobicContact CD1-CG1 4.2Å; I712-I735 WeakPolarHBondContact O-CA 3.46Å; I733-I735 HydrophobicContact CG2-CD1 4.09Å; I733-I735 HydrophobicContact CG2-CG1 3.85Å; I735-L743 HydrophobicContact CD1-CD1 4.41Å; I735-L743 HydrophobicContact CD1-CD2 4.07Å; I735-V756 HydrophobicContact CD1-CG1 4.36Å; I735-L757 PolarHBondContact N-O 3.39Å; I735-I758 HydrophobicContact CB-CG2 4.37Å; I735-I758 CarbonylContact O-C 3.53Å; I735-I758 WeakPolarHBondContact O-CA 3.32Å; I735-S759 PolarHBondContact O-N 3Å; I735-S762 PolarHBondContact O-OG 3.37Å; I735-P764 HydrophobicContact CD1-CB 3.76Å; I735-P764 HydrophobicContact CD1-CG 3.84Å; I735-P764 HydrophobicContact CG2-CG 4.42Å
736	F	95.5	Very high	95.9	Very high	47 Å²	47	32.4 Å²	32.4	21%	0.206	15%	0.152	C	C	.	.			trans	-136.1	165	-168.1	-75.7	-98.5	0	0	0	112.7	W711 I712 K713 C734 G738 G739 L757 S759 S762	W711-F736 AromaticContact NE1-CD2 3.45Å; I712-F736 PolarHBondContact O-N 3.14Å; K713-F736 VanDerWaalsContact CA-O 3.27Å; K713-F736 WeakPolarHBondContact CA-O 3.36Å; K713-F736 HydrophobicContact CB-CB 4.25Å; C734-F736 HydrophobicContact CB-CD2 4.1Å; C734-F736 HydrophobicContact CB-CE2 3.75Å; F736-G738 PolarHBondContact O-N 3.15Å; F736-G739 WeakPolarHBondContact O-CA 3.24Å; F736-G739 PolarHBondContact O-N 2.87Å; F736-L757 HydrophobicContact CE2-CD2 4.16Å; F736-L757 HydrophobicContact CE2-CG 4.27Å; F736-L757 HydrophobicContact CZ-CD2 3.78Å; F736-L757 HydrophobicContact CZ-CG 4.1Å; F736-S759 WeakPolarHBondContact CA-O 3.31Å; F736-S759 VanDerWaalsContact CE1-CB 3.5Å; F736-S762 VanDerWaalsContact CA-OG 3.29Å; F736-S762 WeakPolarHBondContact CA-OG 3.21Å; F736-S762 PolarHBondContact N-OG 2.9Å; F736-S762 PolarHBondContact O-OG 3.48Å
737	N	95.3	Very high	96	Very high	69 Å²	69	33.4 Å²	33.4	37%	0.369	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	66.2	166.6	-59.2	6.8	0	0	0	113.7	T714 D715 G739 T760	T714-N737 WeakPolarHBondContact CA-O 3.38Å; T714-N737 PolarHBondContact N-O 2.72Å; D715-N737 PolarHBondContact N-O 2.86Å; N737-G739 PolarHBondContact O-N 3.03Å; N737-T760 WeakPolarHBondContact CA-O 3.43Å; N737-T760 PolarHBondContact N-O 3.22Å; N737-T760 WeakPolarHBondContact OD1-CG2 3.44Å
738	G	95.7	Very high	96.1	Very high	12 Å²	12	30.4 Å²	30.4	12%	0.124	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	3.4	-179	0	0	0	0	0	115.1	F736 R740 T760 N761	F736-G738 PolarHBondContact O-N 3.15Å; G738-R740 VanDerWaalsContact O-CG 3.26Å; G738-R740 WeakPolarHBondContact O-CG 3.41Å; G738-R740 PolarHBondContact O-NE 2.72Å; G738-T760 PolarHBondContact N-O 2.99Å; G738-T760 VanDerWaalsContact N-O 3.07Å; G738-N761 WeakPolarHBondContact CA-O 3.27Å
739	G	96.8	Very high	96.5	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.144	C	C	.	.			trans	-57.9	142.6	-176.7	0	0	0	0	0	113.5	F736 N737 S762 H763	F736-G739 WeakPolarHBondContact O-CA 3.24Å; F736-G739 PolarHBondContact O-N 2.87Å; N737-G739 PolarHBondContact O-N 3.03Å; G739-S762 PolarHBondContact N-OG 3.24Å; G739-S762 CarbonylContact O-C 3.52Å; G739-S762 VanDerWaalsContact O-CA 3.29Å; G739-S762 WeakPolarHBondContact O-CA 3.27Å; G739-S762 VanDerWaalsContact O-CB 3.25Å; G739-S762 WeakPolarHBondContact O-CB 3.34Å; G739-H763 PolarHBondContact O-N 3.32Å
740	R	96.4	Very high	96.7	Very high	117 Å²	117	28.4 Å²	28.4	44%	0.442	13%	0.134	S	C	.	.			trans	-134.7	-171.1	-176.2	-46	-173.3	-162.4	-174.5	7	109.3	D715 S716 N717 G738 H763	D715-R740 IonicContact OD1-NH2 2.87Å; D715-R740 PolarHBondContact OD1-NH2 3.05Å; S716-R740 PolarHBondContact O-N 3.19Å; N717-R740 HydrophobicContact CB-CB 4.18Å; N717-R740 WeakPolarHBondContact OD1-CB 3.26Å; G738-R740 VanDerWaalsContact O-CG 3.26Å; G738-R740 WeakPolarHBondContact O-CG 3.41Å; G738-R740 PolarHBondContact O-NE 2.72Å; R740-H763 HydrophobicContact CG-CB 4.49Å
741	G	95.4	Very high	96.8	Very high	4 Å²	4	26.6 Å²	26.6	4%	0.041	12%	0.124	C	C	.	.			trans	141.6	164.9	172.5	0	0	0	0	0	112.3	N717 P718 I765	N717-G741 VanDerWaalsContact OD1-CA 3.31Å; N717-G741 WeakPolarHBondContact OD1-CA 3.3Å; N717-G741 PolarHBondContact OD1-N 2.85Å; N717-G741 VanDerWaalsContact OD1-N 3.1Å; P718-G741 WeakPolarHBondContact O-CA 3.44Å; G741-I765 PolarHBondContact O-N 2.94Å
742	L	98.4	Very high	96.9	Very high	45 Å²	45	28.2 Å²	28.2	24%	0.236	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	113.6	169.9	175.6	60.9	0	0	0	108.8	P718 T719 L720 E744 I765	P718-L742 PolarHBondContact O-N 3.39Å; T719-L742 WeakPolarHBondContact CA-O 3.45Å; T719-L742 HydrophobicContact CG2-CB 4.4Å; T719-L742 HydrophobicContact CG2-CD2 4.5Å; L720-L742 PolarHBondContact N-O 2.8Å; L742-E744 HydrophobicContact CD1-CB 4.34Å; L742-E744 HydrophobicContact CG-CB 4.21Å; L742-I765 HydrophobicContact CD1-CB 4.19Å; L742-I765 HydrophobicContact CD1-CG2 3.96Å
743	L	98.5	Very high	96.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	101.5	172	-81.4	55.8	0	0	0	107	I712 L720 I733 I735 I765 L766 R767 N769	I712-L743 HydrophobicContact CD1-CD1 4.33Å; L720-L743 HydrophobicContact CB-CD1 4.34Å; L720-L743 HydrophobicContact CB-CG 4.23Å; L720-L743 HydrophobicContact CD1-CD1 4.48Å; L720-L743 HydrophobicContact CD2-CD1 4.27Å; L720-L743 HydrophobicContact CD2-CG 4.2Å; L720-L743 CarbonylContact O-C 3.53Å; L720-L743 WeakPolarHBondContact O-CA 3.48Å; I733-L743 HydrophobicContact CD1-CD2 3.51Å; I733-L743 HydrophobicContact CD1-CG 4Å; I733-L743 HydrophobicContact CG2-CD2 4.3Å; I735-L743 HydrophobicContact CD1-CD1 4.41Å; I735-L743 HydrophobicContact CD1-CD2 4.07Å; L743-I765 PolarHBondContact N-O 2.82Å; L743-L766 HydrophobicContact CB-CD1 4.39Å; L743-L766 HydrophobicContact CB-CG 4.03Å; L743-L766 HydrophobicContact CD2-CD1 3.87Å; L743-L766 HydrophobicContact CD2-CD2 4.45Å; L743-L766 HydrophobicContact CD2-CG 3.84Å; L743-L766 CarbonylContact O-C 3.51Å; L743-L766 WeakPolarHBondContact O-CA 3.47Å; L743-R767 PolarHBondContact O-N 3Å; L743-N769 PolarHBondContact O-ND2 2.86Å; L743-N769 PolarHBondContact O-OD1 3.02Å
744	E	98.6	Very high	96.4	Very high	32 Å²	32	29.4 Å²	29.4	15%	0.15	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128.1	-176.5	-174.6	168.7	-117.2	0	0	112.9	L720 R721 R722 L742 N746 R767	L720-E744 PolarHBondContact O-N 2.99Å; R721-E744 CarbonylContact C-O 3.57Å; R721-E744 VanDerWaalsContact CA-O 3.26Å; R721-E744 WeakPolarHBondContact CA-O 3.27Å; R721-E744 HydrophobicContact CG-CB 4.35Å; R722-E744 PolarHBondContact N-O 2.9Å; L742-E744 HydrophobicContact CD1-CB 4.34Å; L742-E744 HydrophobicContact CG-CB 4.21Å; E744-N746 PolarHBondContact N-ND2 3.03Å; E744-N746 VanDerWaalsContact N-ND2 3.19Å; E744-N746 PolarHBondContact O-N 3.28Å; E744-N746 VanDerWaalsContact O-N 3.1Å; E744-N746 PolarHBondContact O-ND2 3.4Å; E744-R767 CarbonylContact C-O 3.53Å; E744-R767 VanDerWaalsContact CA-O 3.31Å; E744-R767 WeakPolarHBondContact CA-O 3.41Å; E744-R767 HydrophobicContact CG-CB 4.48Å; E744-R767 HydrophobicContact CG-CG 4.48Å; E744-R767 WeakPolarHBondContact OE1-CD 3.33Å; E744-R767 IonicContact OE1-NH1 3.61Å
745	E	98.6	Very high	96.3	Very high	70 Å²	70	29.4 Å²	29.4	33%	0.327	14%	0.143	S	C	.	.	S	Bend	trans	58.7	23.2	170.6	-64.6	170.1	177.7	0	0	115.2	R722 R767 K768	R722-E745 WeakPolarHBondContact CA-O 3.39Å; R722-E745 HydrophobicContact CG-CB 3.87Å; E745-R767 PolarHBondContact N-O 3.43Å; E745-K768 HydrophobicContact CG-CB 3.83Å; E745-K768 HydrophobicContact CG-CD 3.57Å; E745-K768 HydrophobicContact CG-CG 4.43Å; E745-K768 WeakPolarHBondContact OE1-CD 3.38Å; E745-K768 WeakPolarHBondContact OE1-CE 3.35Å; E745-K768 IonicContact OE1-NZ 3.6Å; E745-K768 PolarHBondContact OE1-NZ 3.02Å
746	N	98.8	Very high	96.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.			trans	-81.6	148.2	178.5	-52.4	-86.5	0	0	0	112	L720 R722 N723 E744 I748 N769 R770	L720-N746 PolarHBondContact O-ND2 3.19Å; L720-N746 PolarHBondContact O-OD1 2.88Å; R722-N746 PolarHBondContact N-OD1 2.96Å; N723-N746 WeakPolarHBondContact CB-OD1 3.4Å; N723-N746 PolarHBondContact N-OD1 3.09Å; N723-N746 PolarHBondContact ND2-OD1 3.19Å; N723-N746 WeakPolarHBondContact O-CA 3.34Å; N723-N746 WeakPolarHBondContact O-CB 3.49Å; E744-N746 PolarHBondContact N-ND2 3.03Å; E744-N746 VanDerWaalsContact N-ND2 3.19Å; E744-N746 PolarHBondContact O-N 3.28Å; E744-N746 VanDerWaalsContact O-N 3.1Å; E744-N746 PolarHBondContact O-ND2 3.4Å; N746-I748 HydrophobicContact CB-CG1 4.34Å; N746-N769 WeakPolarHBondContact CB-OD1 3.31Å; N746-N769 PolarHBondContact N-OD1 3.29Å; N746-N769 PolarHBondContact ND2-OD1 3.03Å; N746-N769 CarbonylContact O-C 3.6Å; N746-N769 VanDerWaalsContact O-CA 3.31Å; N746-N769 WeakPolarHBondContact O-CA 3.39Å; N746-N769 WeakPolarHBondContact O-CB 3.31Å; N746-R770 PolarHBondContact O-N 2.84Å
747	D	98.8	Very high	96.4	Very high	41 Å²	41	27.9 Å²	27.9	22%	0.219	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	119.5	170.4	-86	1.4	0	0	0	109.3	N723 K724 I725 F749 R770 F772	N723-D747 PolarHBondContact O-N 3.1Å; K724-D747 CarbonylContact C-O 3.5Å; K724-D747 WeakPolarHBondContact CA-O 3.21Å; I725-D747 PolarHBondContact N-O 2.97Å; D747-F749 HydrophobicContact CB-CD1 4.05Å; D747-F749 HydrophobicContact CB-CE1 3.88Å; D747-R770 WeakPolarHBondContact OD1-CB 3.48Å; D747-R770 WeakPolarHBondContact OD1-CD 3.3Å; D747-R770 IonicContact OD1-CZ 3.76Å; D747-R770 IonicContact OD1-NE 2.73Å; D747-R770 IonicContact OD1-NH1 3.95Å; D747-R770 PolarHBondContact OD1-NH1 2.87Å; D747-R770 IonicContact OD2-CZ 3.73Å; D747-R770 IonicContact OD2-NH1 3.33Å; D747-R770 PolarHBondContact OD2-NH1 2.81Å; D747-F772 HydrophobicContact CB-CE1 4.49Å
748	I	98.7	Very high	96.4	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	113.7	-175.6	-51.3	173.8	0	0	0	108.9	I725 I733 N746 G755 V756 R770 I771 F772	I725-I748 HydrophobicContact CB-CG1 4.5Å; I725-I748 WeakPolarHBondContact O-CA 3.44Å; I733-I748 HydrophobicContact CD1-CD1 3.48Å; I733-I748 VanDerWaalsContact CD1-CD1 3.48Å; I733-I748 HydrophobicContact CD1-CG1 4.46Å; I733-I748 HydrophobicContact CG1-CD1 4.04Å; N746-I748 HydrophobicContact CB-CG1 4.34Å; I748-G755 WeakPolarHBondContact CG2-O 3.48Å; I748-V756 HydrophobicContact CD1-CG2 3.61Å; I748-R770 PolarHBondContact N-O 2.82Å; I748-I771 HydrophobicContact CB-CG1 4.36Å; I748-I771 HydrophobicContact CB-CG2 4.49Å; I748-I771 HydrophobicContact CD1-CG1 4.32Å; I748-I771 VanDerWaalsContact O-CA 3.3Å; I748-I771 WeakPolarHBondContact O-CA 3.33Å; I748-F772 PolarHBondContact O-N 3.49Å
749	F	98.2	Very high	96.4	Very high	19 Å²	19	24.2 Å²	24.2	8%	0.083	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	154	-168.2	54.9	-89.2	0	0	0	116.4	K724 I725 H726 D727 D747 N751 F772	K724-F749 HydrophobicContact CB-CE1 4.42Å; I725-F749 PolarHBondContact O-N 2.93Å; I725-F749 VanDerWaalsContact O-N 3.1Å; H726-F749 WeakPolarHBondContact CA-O 3.38Å; H726-F749 HydrophobicContact CB-CD1 4.17Å; H726-F749 HydrophobicContact CB-CD2 3.4Å; H726-F749 VanDerWaalsContact CB-CD2 3.4Å; H726-F749 HydrophobicContact CB-CE1 3.99Å; H726-F749 HydrophobicContact CB-CE2 3.19Å; H726-F749 HydrophobicContact CB-CG 3.9Å; H726-F749 HydrophobicContact CB-CZ 3.52Å; H726-F749 WeakPolarHBondContact CB-O 3.2Å; H726-F749 AromaticContact CD2-CE2 3.93Å; H726-F749 AromaticContact CD2-CZ 3.49Å; H726-F749 VanDerWaalsContact CD2-CZ 3.49Å; H726-F749 WeakPolarHBondContact CD2-CZ 3.23Å; H726-F749 AromaticContact CG-CE2 3.38Å; H726-F749 AromaticContact CG-CZ 3.45Å; H726-F749 VanDerWaalsContact CG-CZ 3.45Å; H726-F749 AromaticContact ND1-CE2 3.85Å; D727-F749 PolarHBondContact N-O 2.86Å; D747-F749 HydrophobicContact CB-CD1 4.05Å; D747-F749 HydrophobicContact CB-CE1 3.88Å; F749-N751 PolarHBondContact O-N 3.01Å; F749-N751 PolarHBondContact O-ND2 3.02Å; F749-F772 WeakPolarHBondContact CA-O 3.43Å; F749-F772 HydrophobicContact CB-CD1 4.03Å; F749-F772 HydrophobicContact CB-CD2 3.98Å; F749-F772 HydrophobicContact CB-CE1 3.84Å; F749-F772 HydrophobicContact CB-CE2 3.78Å; F749-F772 HydrophobicContact CB-CG 4.09Å; F749-F772 HydrophobicContact CB-CZ 3.7Å; F749-F772 WeakPolarHBondContact CB-O 3.5Å; F749-F772 AromaticContact CD1-CE1 3.7Å; F749-F772 HydrophobicContact CD1-CE1 3.7Å; F749-F772 HydrophobicContact CD1-CE2 4.34Å; F749-F772 AromaticContact CD1-CZ 3.51Å; F749-F772 HydrophobicContact CD1-CZ 3.51Å; F749-F772 HydrophobicContact CE1-CZ 4.28Å; F749-F772 HydrophobicContact CG-CE1 4.06Å; F749-F772 HydrophobicContact CG-CE2 4.02Å; F749-F772 AromaticContact CG-CZ 3.65Å; F749-F772 HydrophobicContact CG-CZ 3.65Å
750	R	95.9	Very high	96.3	Very high	95 Å²	95	26.3 Å²	26.3	36%	0.358	13%	0.128	S	C	.	.	S	Bend	trans	54.1	19.2	176.8	-57.5	-169.3	-53	-99.3	1.6	116.5	D727 F772 D773 F775	D727-R750 WeakPolarHBondContact OD1-CB 3.19Å; D727-R750 IonicContact OD1-CZ 3.84Å; D727-R750 IonicContact OD1-NE 2.75Å; D727-R750 PolarHBondContact OD1-NE 3.14Å; D727-R750 IonicContact OD1-NH2 3.53Å; D727-R750 PolarHBondContact OD1-NH2 3.28Å; D727-R750 IonicContact OD2-CZ 2.66Å; D727-R750 IonicContact OD2-NE 3.12Å; D727-R750 IonicContact OD2-NH2 3.55Å; D727-R750 PolarHBondContact OD2-NH2 3.33Å; R750-F772 PolarHBondContact N-O 2.94Å; R750-D773 WeakPolarHBondContact CA-O 3.18Å; R750-D773 HydrophobicContact CG-CB 3.74Å; R750-F775 HydrophobicContact CB-CE2 4.48Å; R750-F775 WeakPolarHBondContact O-CE2 3.31Å
751	N	94.1	Very high	96.1	Very high	2 Å²	2	25 Å²	25	1%	0.011	13%	0.13	C	C	.	.			trans	-72.7	148	171.7	-59.4	-63.4	0	0	0	110.1	I725 H726 D727 G728 G732 F749 F775	I725-N751 PolarHBondContact O-ND2 3.26Å; H726-N751 VanDerWaalsContact C-OD1 3.28Å; H726-N751 WeakPolarHBondContact CA-OD1 3.37Å; D727-N751 PolarHBondContact N-OD1 3.15Å; G728-N751 PolarHBondContact N-OD1 2.85Å; G732-N751 WeakPolarHBondContact CA-ND2 3.25Å; F749-N751 PolarHBondContact O-N 3.01Å; F749-N751 PolarHBondContact O-ND2 3.02Å; N751-F775 PolarHBondContact O-N 3.4Å
752	A	91.8	Very high	96.2	Very high	34 Å²	34	24.8 Å²	24.8	28%	0.281	13%	0.128	S	C	.	.	S	Bend	trans	-70.1	-32.8	-172.6	0	0	0	0	0	113.5	G728 R729 D730	G728-A752 PolarHBondContact O-N 3.11Å; R729-A752 WeakPolarHBondContact O-CB 3.32Å; D730-A752 PolarHBondContact O-N 3.44Å
753	Q	91.4	Very high	96.1	Very high	25 Å²	25	27.1 Å²	27.1	12%	0.117	14%	0.137	C	C	.	.	S	Bend	trans	-105	-154.7	174.2	-53.6	-64.1	-37.2	0	0	110.7	D730 T841 S842	D730-Q753 PolarHBondContact O-N 3.27Å; D730-Q753 VanDerWaalsContact O-N 3.1Å; Q753-T841 PolarHBondContact NE2-O 3.25Å; Q753-S842 PolarHBondContact OE1-OG 3.48Å
754	A	92.8	Very high	96.1	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.008	14%	0.137	C	C	.	.			trans	-61.9	141.8	-179	0	0	0	0	0	111.8	G731 G732 V756 L757 A777 E780	G731-A754 CarbonylContact C-O 3.53Å; G731-A754 WeakPolarHBondContact CA-O 3.19Å; G732-A754 PolarHBondContact N-O 2.99Å; A754-V756 PolarHBondContact O-N 2.66Å; A754-L757 HydrophobicContact CB-CB 4.33Å; A754-A777 CarbonylContact C-O 3.56Å; A754-A777 VanDerWaalsContact CA-O 3.25Å; A754-A777 WeakPolarHBondContact CA-O 3.43Å; A754-E780 HydrophobicContact CB-CB 3.85Å
755	G	95.7	Very high	96.1	Very high	3 Å²	3	28.9 Å²	28.9	3%	0.031	15%	0.147	C	C	.	.	S	Bend	trans	-58.2	-48.9	174.6	0	0	0	0	0	111.5	G732 I733 I748 A777 G778	G732-G755 CarbonylContact C-O 3.43Å; G732-G755 VanDerWaalsContact CA-O 3.22Å; G732-G755 WeakPolarHBondContact CA-O 3.13Å; G732-G755 PolarHBondContact N-O 3.1Å; I733-G755 PolarHBondContact N-O 3.41Å; I748-G755 WeakPolarHBondContact CG2-O 3.48Å; G755-A777 PolarHBondContact N-O 3.38Å; G755-G778 CarbonylContact C-O 3.53Å; G755-G778 WeakPolarHBondContact CA-O 3.33Å; G755-G778 PolarHBondContact N-O 2.9Å; G755-G778 VanDerWaalsContact N-O 3.09Å
756	V	97.9	Very high	96.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	124.8	166	-173.5	0	0	0	0	110.3	I733 I735 I748 A754 I758 L766 I771 G778 I779 E780	I733-V756 HydrophobicContact CB-CG1 4.24Å; I733-V756 HydrophobicContact CB-CG2 4.27Å; I733-V756 HydrophobicContact CD1-CG2 4.42Å; I733-V756 CarbonylContact O-C 3.38Å; I733-V756 VanDerWaalsContact O-CA 3.32Å; I733-V756 WeakPolarHBondContact O-CA 3.28Å; I735-V756 HydrophobicContact CD1-CG1 4.36Å; I748-V756 HydrophobicContact CD1-CG2 3.61Å; A754-V756 PolarHBondContact O-N 2.66Å; V756-I758 HydrophobicContact CG1-CD1 4.15Å; V756-I758 HydrophobicContact CG1-CG1 3.8Å; V756-L766 HydrophobicContact CB-CD2 4.36Å; V756-L766 HydrophobicContact CG1-CD2 4.23Å; V756-L766 HydrophobicContact CG2-CD2 4.19Å; V756-I771 HydrophobicContact CG2-CD1 3.95Å; V756-G778 PolarHBondContact N-O 3.26Å; V756-I779 HydrophobicContact CB-CG1 4.43Å; V756-I779 CarbonylContact O-C 3.58Å; V756-I779 WeakPolarHBondContact O-CA 3.36Å; V756-E780 PolarHBondContact O-N 3.38Å
757	L	96.2	Very high	96.1	Very high	16 Å²	16	29.3 Å²	29.3	8%	0.084	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.4	173.6	176.6	58.4	0	0	0	109.9	I733 C734 I735 F736 A754 E780	I733-L757 PolarHBondContact O-N 3.49Å; C734-L757 CarbonylContact C-O 3.6Å; I735-L757 PolarHBondContact N-O 3.39Å; F736-L757 HydrophobicContact CE2-CD2 4.16Å; F736-L757 HydrophobicContact CE2-CG 4.27Å; F736-L757 HydrophobicContact CZ-CD2 3.78Å; F736-L757 HydrophobicContact CZ-CG 4.1Å; A754-L757 HydrophobicContact CB-CB 4.33Å; L757-E780 CarbonylContact C-O 3.55Å; L757-E780 WeakPolarHBondContact CA-O 3.32Å; L757-E780 HydrophobicContact CD1-CB 3.95Å; L757-E780 HydrophobicContact CD1-CG 4.09Å
758	I	96.9	Very high	96.1	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	119	-175.9	-46.3	174.6	0	0	0	108.9	I735 V756 P764 L766 I779 E780 I781 T782 A785 A787	I735-I758 HydrophobicContact CB-CG2 4.37Å; I735-I758 CarbonylContact O-C 3.53Å; I735-I758 WeakPolarHBondContact O-CA 3.32Å; V756-I758 HydrophobicContact CG1-CD1 4.15Å; V756-I758 HydrophobicContact CG1-CG1 3.8Å; I758-P764 HydrophobicContact CD1-CG 3.7Å; I758-P764 HydrophobicContact CG1-CG 4.23Å; I758-P764 HydrophobicContact CG2-CG 3.79Å; I758-L766 HydrophobicContact CD1-CD1 4.23Å; I758-I779 HydrophobicContact CD1-CG2 4.42Å; I758-E780 PolarHBondContact N-O 2.99Å; I758-I781 HydrophobicContact CB-CG1 4.16Å; I758-I781 HydrophobicContact CB-CG2 4.21Å; I758-I781 HydrophobicContact CD1-CD1 4Å; I758-I781 HydrophobicContact CD1-CG1 4.05Å; I758-I781 HydrophobicContact CG1-CG1 4.34Å; I758-I781 CarbonylContact O-C 3.56Å; I758-I781 VanDerWaalsContact O-CA 3.29Å; I758-I781 WeakPolarHBondContact O-CA 3.27Å; I758-T782 PolarHBondContact O-N 3.22Å; I758-A785 HydrophobicContact CG2-CB 3.89Å; I758-A787 HydrophobicContact CD1-CB 3.96Å
759	S	94.9	Very high	96.1	Very high	3 Å²	3	32 Å²	32	2%	0.021	16%	0.155	C	C	.	.			trans	-143.9	164	-170.4	-179.5	0	0	0	0	112.6	I735 F736 S762 T782 N783	I735-S759 PolarHBondContact O-N 3Å; F736-S759 WeakPolarHBondContact CA-O 3.31Å; F736-S759 VanDerWaalsContact CE1-CB 3.5Å; S759-S762 VanDerWaalsContact O-CB 3.25Å; S759-S762 WeakPolarHBondContact O-CB 3.49Å; S759-S762 PolarHBondContact O-N 3.32Å; S759-S762 PolarHBondContact O-OG 3.33Å; S759-T782 WeakPolarHBondContact CB-OG1 3.5Å; S759-T782 PolarHBondContact OG-OG1 3.39Å; S759-N783 WeakPolarHBondContact OG-CB 3.31Å; S759-N783 PolarHBondContact OG-ND2 2.91Å
760	T	93.7	Very high	96.1	Very high	45 Å²	45	35 Å²	35	28%	0.276	17%	0.166	S	C	.	.	S	Bend	trans	58.8	65.2	163.9	-39.1	0	0	0	0	112.8	N737 G738 S762 N783	N737-T760 WeakPolarHBondContact CA-O 3.43Å; N737-T760 PolarHBondContact N-O 3.22Å; N737-T760 WeakPolarHBondContact OD1-CG2 3.44Å; G738-T760 PolarHBondContact N-O 2.99Å; G738-T760 VanDerWaalsContact N-O 3.07Å; T760-S762 PolarHBondContact O-N 3.39Å; T760-N783 VanDerWaalsContact CA-O 3.29Å; T760-N783 WeakPolarHBondContact CA-O 3.39Å; T760-N783 PolarHBondContact N-O 3.02Å
761	N	93.9	Very high	96.2	Very high	89 Å²	89	30.5 Å²	30.5	48%	0.476	15%	0.149	S	C	.	.	S	Bend	trans	56.4	27.2	179.7	-51.2	-63.5	0	0	0	114.4	G738 H763 N783 H784	G738-N761 WeakPolarHBondContact CA-O 3.27Å; N761-H763 PolarHBondContact O-CE1 2.72Å; N761-H763 VanDerWaalsContact O-CE1 3.23Å; N761-H763 PolarHBondContact O-ND1 3.22Å; N761-N783 PolarHBondContact N-O 3.44Å; N761-N783 VanDerWaalsContact N-O 3.14Å; N761-H784 WeakPolarHBondContact OD1-CB 3.35Å
762	S	97	Very high	96.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.153	C	C	.	.			trans	-76.4	151.6	174.7	-64.7	0	0	0	0	112.2	I735 F736 G739 S759 T760 A785 T786	I735-S762 PolarHBondContact O-OG 3.37Å; F736-S762 VanDerWaalsContact CA-OG 3.29Å; F736-S762 WeakPolarHBondContact CA-OG 3.21Å; F736-S762 PolarHBondContact N-OG 2.9Å; F736-S762 PolarHBondContact O-OG 3.48Å; G739-S762 PolarHBondContact N-OG 3.24Å; G739-S762 CarbonylContact O-C 3.52Å; G739-S762 VanDerWaalsContact O-CA 3.29Å; G739-S762 WeakPolarHBondContact O-CA 3.27Å; G739-S762 VanDerWaalsContact O-CB 3.25Å; G739-S762 WeakPolarHBondContact O-CB 3.34Å; S759-S762 VanDerWaalsContact O-CB 3.25Å; S759-S762 WeakPolarHBondContact O-CB 3.49Å; S759-S762 PolarHBondContact O-N 3.32Å; S759-S762 PolarHBondContact O-OG 3.33Å; T760-S762 PolarHBondContact O-N 3.39Å; S762-A785 WeakPolarHBondContact O-CA 3.4Å; S762-A785 WeakPolarHBondContact O-CB 3.29Å; S762-T786 PolarHBondContact O-N 3.04Å; S762-T786 VanDerWaalsContact O-O 3.07Å
763	H	96.4	Very high	96.6	Very high	93 Å²	93	32.3 Å²	32.3	43%	0.431	15%	0.153	S	C	.	.			trans	-141.3	58.7	-171.9	-67.6	76.4	0	0	0	113.2	G739 R740 N761 T786	G739-H763 PolarHBondContact O-N 3.32Å; R740-H763 HydrophobicContact CG-CB 4.49Å; N761-H763 PolarHBondContact O-CE1 2.72Å; N761-H763 VanDerWaalsContact O-CE1 3.23Å; N761-H763 PolarHBondContact O-ND1 3.22Å; H763-T786 PolarHBondContact CD2-OG1 3.4Å; H763-T786 PolarHBondContact NE2-OG1 3.4Å
764	P	97.8	Very high	96.6	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	15%	0.15	C	C	.	.			trans	-82.4	163.2	178.6	36.2	-39.2	0	0	0	113.9	I735 I758 L766 T786 T788	I735-P764 HydrophobicContact CD1-CB 3.76Å; I735-P764 HydrophobicContact CD1-CG 3.84Å; I735-P764 HydrophobicContact CG2-CG 4.42Å; I758-P764 HydrophobicContact CD1-CG 3.7Å; I758-P764 HydrophobicContact CG1-CG 4.23Å; I758-P764 HydrophobicContact CG2-CG 3.79Å; P764-L766 HydrophobicContact CB-CD1 3.94Å; P764-L766 HydrophobicContact CG-CD1 3.95Å; P764-T786 WeakPolarHBondContact CD-O 3.24Å; P764-T788 PolarHBondContact O-N 2.68Å
765	I	98.5	Very high	96.5	Very high	69 Å²	69	36.6 Å²	36.6	35%	0.354	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120	170.1	-56.3	177.1	0	0	0	108.4	G741 L742 L743 T788	G741-I765 PolarHBondContact O-N 2.94Å; L742-I765 HydrophobicContact CD1-CB 4.19Å; L742-I765 HydrophobicContact CD1-CG2 3.96Å; L743-I765 PolarHBondContact N-O 2.82Å; I765-T788 WeakPolarHBondContact CA-O 3.41Å; I765-T788 HydrophobicContact CG2-CG2 4.43Å
766	L	98.5	Very high	96.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119	174.5	-77	63.6	0	0	0	108.8	L743 V756 I758 P764 I779 T788 L789 E790 N792	L743-L766 HydrophobicContact CB-CD1 4.39Å; L743-L766 HydrophobicContact CB-CG 4.03Å; L743-L766 HydrophobicContact CD2-CD1 3.87Å; L743-L766 HydrophobicContact CD2-CD2 4.45Å; L743-L766 HydrophobicContact CD2-CG 3.84Å; L743-L766 CarbonylContact O-C 3.51Å; L743-L766 WeakPolarHBondContact O-CA 3.47Å; V756-L766 HydrophobicContact CB-CD2 4.36Å; V756-L766 HydrophobicContact CG1-CD2 4.23Å; V756-L766 HydrophobicContact CG2-CD2 4.19Å; I758-L766 HydrophobicContact CD1-CD1 4.23Å; P764-L766 HydrophobicContact CB-CD1 3.94Å; P764-L766 HydrophobicContact CG-CD1 3.95Å; L766-I779 HydrophobicContact CD2-CD1 3.74Å; L766-I779 HydrophobicContact CD2-CG1 4.44Å; L766-T788 PolarHBondContact N-O 3.26Å; L766-L789 HydrophobicContact CB-CD2 3.69Å; L766-L789 HydrophobicContact CD1-CD2 4.26Å; L766-L789 HydrophobicContact CD2-CD2 3.83Å; L766-L789 HydrophobicContact CG-CD2 4.14Å; L766-L789 WeakPolarHBondContact O-CA 3.5Å; L766-E790 PolarHBondContact O-N 3.31Å; L766-N792 PolarHBondContact O-ND2 3.24Å
767	R	98.6	Very high	96	Very high	78 Å²	78	36.5 Å²	36.5	29%	0.294	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	129.1	-179.2	179.1	177.9	-74.6	143.9	1	112.3	L743 E744 E745 N769 E790	L743-R767 PolarHBondContact O-N 3Å; E744-R767 CarbonylContact C-O 3.53Å; E744-R767 VanDerWaalsContact CA-O 3.31Å; E744-R767 WeakPolarHBondContact CA-O 3.41Å; E744-R767 HydrophobicContact CG-CB 4.48Å; E744-R767 HydrophobicContact CG-CG 4.48Å; E744-R767 WeakPolarHBondContact OE1-CD 3.33Å; E744-R767 IonicContact OE1-NH1 3.61Å; E745-R767 PolarHBondContact N-O 3.43Å; R767-N769 PolarHBondContact N-ND2 3.47Å; R767-N769 VanDerWaalsContact N-ND2 3.16Å; R767-N769 PolarHBondContact O-N 3.39Å; R767-N769 PolarHBondContact O-ND2 3.07Å; R767-E790 CarbonylContact C-O 3.36Å; R767-E790 VanDerWaalsContact CA-O 3.24Å; R767-E790 WeakPolarHBondContact CA-O 3.48Å; R767-E790 IonicContact CZ-OE2 3.28Å; R767-E790 IonicContact NE-OE2 3.62Å; R767-E790 PolarHBondContact NE-OE2 3Å; R767-E790 IonicContact NH2-OE2 3.19Å; R767-E790 PolarHBondContact NH2-OE2 2.98Å
768	K	98.4	Very high	95.9	Very high	99 Å²	99	35.8 Å²	35.8	43%	0.43	17%	0.168	S	C	.	.	S	Bend	trans	54.4	14.5	174.2	-56.2	158.5	177.8	169.5	0	116.2	E745 E790 N792	E745-K768 HydrophobicContact CG-CB 3.83Å; E745-K768 HydrophobicContact CG-CD 3.57Å; E745-K768 HydrophobicContact CG-CG 4.43Å; E745-K768 WeakPolarHBondContact OE1-CD 3.38Å; E745-K768 WeakPolarHBondContact OE1-CE 3.35Å; E745-K768 IonicContact OE1-NZ 3.6Å; E745-K768 PolarHBondContact OE1-NZ 3.02Å; K768-E790 PolarHBondContact N-O 3.16Å; K768-N792 PolarHBondContact N-OD1 2.96Å
769	N	98.7	Very high	95.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.168	C	C	.	.			trans	-70	152.7	-179.4	-53.9	-81.8	0	0	0	110.5	L743 N746 R767 I771 N792 Q793	L743-N769 PolarHBondContact O-ND2 2.86Å; L743-N769 PolarHBondContact O-OD1 3.02Å; N746-N769 WeakPolarHBondContact CB-OD1 3.31Å; N746-N769 PolarHBondContact N-OD1 3.29Å; N746-N769 PolarHBondContact ND2-OD1 3.03Å; N746-N769 CarbonylContact O-C 3.6Å; N746-N769 VanDerWaalsContact O-CA 3.31Å; N746-N769 WeakPolarHBondContact O-CA 3.39Å; N746-N769 WeakPolarHBondContact O-CB 3.31Å; R767-N769 PolarHBondContact N-ND2 3.47Å; R767-N769 VanDerWaalsContact N-ND2 3.16Å; R767-N769 PolarHBondContact O-N 3.39Å; R767-N769 PolarHBondContact O-ND2 3.07Å; N769-I771 HydrophobicContact CB-CD1 4.48Å; N769-I771 HydrophobicContact CB-CG1 4.31Å; N769-N792 WeakPolarHBondContact CB-OD1 3.18Å; N769-N792 PolarHBondContact N-OD1 3.29Å; N769-N792 PolarHBondContact ND2-OD1 3.04Å; N769-N792 CarbonylContact O-C 3.6Å; N769-N792 WeakPolarHBondContact O-CA 3.14Å; N769-Q793 PolarHBondContact O-N 2.76Å
770	R	98.6	Very high	96	Very high	82 Å²	82	35.8 Å²	35.8	31%	0.309	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	120.8	171.6	-70.7	170	55.4	-128.1	-4.1	108.7	N746 D747 I748 F772 Q793	N746-R770 PolarHBondContact O-N 2.84Å; D747-R770 WeakPolarHBondContact OD1-CB 3.48Å; D747-R770 WeakPolarHBondContact OD1-CD 3.3Å; D747-R770 IonicContact OD1-CZ 3.76Å; D747-R770 IonicContact OD1-NE 2.73Å; D747-R770 IonicContact OD1-NH1 3.95Å; D747-R770 PolarHBondContact OD1-NH1 2.87Å; D747-R770 IonicContact OD2-CZ 3.73Å; D747-R770 IonicContact OD2-NH1 3.33Å; D747-R770 PolarHBondContact OD2-NH1 2.81Å; I748-R770 PolarHBondContact N-O 2.82Å; R770-F772 HydrophobicContact CB-CD1 4.02Å; R770-F772 HydrophobicContact CB-CE1 4.09Å; R770-Q793 WeakPolarHBondContact CA-O 3.47Å; R770-Q793 HydrophobicContact CG-CB 4.22Å
771	I	98.5	Very high	96	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	103.5	-172.7	-51.8	173.4	0	0	0	109.2	I748 V756 N769 G778 I779 Q793 I794 F795 N797	I748-I771 HydrophobicContact CB-CG1 4.36Å; I748-I771 HydrophobicContact CB-CG2 4.49Å; I748-I771 HydrophobicContact CD1-CG1 4.32Å; I748-I771 VanDerWaalsContact O-CA 3.3Å; I748-I771 WeakPolarHBondContact O-CA 3.33Å; V756-I771 HydrophobicContact CG2-CD1 3.95Å; N769-I771 HydrophobicContact CB-CD1 4.48Å; N769-I771 HydrophobicContact CB-CG1 4.31Å; I771-G778 WeakPolarHBondContact CG2-O 3.24Å; I771-I779 HydrophobicContact CD1-CD1 3.71Å; I771-I779 HydrophobicContact CD1-CG1 3.52Å; I771-Q793 PolarHBondContact N-O 2.74Å; I771-I794 HydrophobicContact CB-CG2 4.43Å; I771-I794 WeakPolarHBondContact O-CA 3.42Å; I771-F795 PolarHBondContact O-N 2.9Å; I771-F795 VanDerWaalsContact O-N 3.14Å; I771-N797 PolarHBondContact O-ND2 2.81Å
772	F	98.1	Very high	96	Very high	20 Å²	20	29.5 Å²	29.5	9%	0.088	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	162.6	-161.3	65.4	-79	0	0	0	115.9	D747 I748 F749 R750 R770 G774 F795	D747-F772 HydrophobicContact CB-CE1 4.49Å; I748-F772 PolarHBondContact O-N 3.49Å; F749-F772 WeakPolarHBondContact CA-O 3.43Å; F749-F772 HydrophobicContact CB-CD1 4.03Å; F749-F772 HydrophobicContact CB-CD2 3.98Å; F749-F772 HydrophobicContact CB-CE1 3.84Å; F749-F772 HydrophobicContact CB-CE2 3.78Å; F749-F772 HydrophobicContact CB-CG 4.09Å; F749-F772 HydrophobicContact CB-CZ 3.7Å; F749-F772 WeakPolarHBondContact CB-O 3.5Å; F749-F772 AromaticContact CD1-CE1 3.7Å; F749-F772 HydrophobicContact CD1-CE1 3.7Å; F749-F772 HydrophobicContact CD1-CE2 4.34Å; F749-F772 AromaticContact CD1-CZ 3.51Å; F749-F772 HydrophobicContact CD1-CZ 3.51Å; F749-F772 HydrophobicContact CE1-CZ 4.28Å; F749-F772 HydrophobicContact CG-CE1 4.06Å; F749-F772 HydrophobicContact CG-CE2 4.02Å; F749-F772 AromaticContact CG-CZ 3.65Å; F749-F772 HydrophobicContact CG-CZ 3.65Å; R750-F772 PolarHBondContact N-O 2.94Å; R770-F772 HydrophobicContact CB-CD1 4.02Å; R770-F772 HydrophobicContact CB-CE1 4.09Å; F772-G774 PolarHBondContact O-N 2.98Å; F772-F795 WeakPolarHBondContact CA-O 3.34Å; F772-F795 HydrophobicContact CB-CD1 4.05Å; F772-F795 HydrophobicContact CB-CD2 3.69Å; F772-F795 HydrophobicContact CB-CE1 3.77Å; F772-F795 HydrophobicContact CB-CE2 3.38Å; F772-F795 HydrophobicContact CB-CG 4.01Å; F772-F795 HydrophobicContact CB-CZ 3.42Å; F772-F795 VanDerWaalsContact CB-CZ 3.42Å; F772-F795 VanDerWaalsContact CB-O 3.24Å; F772-F795 WeakPolarHBondContact CB-O 3.47Å; F772-F795 HydrophobicContact CD1-CE1 4.26Å; F772-F795 AromaticContact CD1-CZ 3.88Å; F772-F795 HydrophobicContact CD1-CZ 3.88Å; F772-F795 AromaticContact CD2-CE2 3.87Å; F772-F795 HydrophobicContact CD2-CE2 3.87Å; F772-F795 AromaticContact CD2-CZ 3.93Å; F772-F795 HydrophobicContact CD2-CZ 3.93Å; F772-F795 HydrophobicContact CG-CD2 4.49Å; F772-F795 HydrophobicContact CG-CE1 4.11Å; F772-F795 AromaticContact CG-CE2 3.71Å; F772-F795 HydrophobicContact CG-CE2 3.71Å; F772-F795 AromaticContact CG-CZ 3.47Å; F772-F795 HydrophobicContact CG-CZ 3.47Å; F772-F795 VanDerWaalsContact CG-CZ 3.47Å
773	D	96.2	Very high	95.7	Very high	54 Å²	54	32.9 Å²	32.9	29%	0.289	15%	0.151	S	C	.	.	S	Bend	trans	53.6	18.7	179.7	-55.6	-17.1	0	0	0	114.5	R750 F795 N796	R750-D773 WeakPolarHBondContact CA-O 3.18Å; R750-D773 HydrophobicContact CG-CB 3.74Å; D773-F795 PolarHBondContact N-O 2.97Å; D773-N796 PolarHBondContact OD1-ND2 2.71Å
774	G	92.1	Very high	95.3	Very high	5 Å²	5	34.9 Å²	34.9	5%	0.052	16%	0.16	C	C	.	.			trans	-74.5	145.9	-178	0	0	0	0	0	113.2	F772 A776 N797 R798	F772-G774 PolarHBondContact O-N 2.98Å; G774-A776 VanDerWaalsContact C-N 3.29Å; G774-A776 PolarHBondContact O-N 3.35Å; G774-N797 PolarHBondContact N-OD1 2.99Å; G774-N797 VanDerWaalsContact N-OD1 3.11Å; G774-N797 WeakPolarHBondContact O-CA 3.36Å; G774-R798 PolarHBondContact O-N 2.93Å
775	F	89.9	Confident	95.2	Very high	112 Å²	112	34.9 Å²	34.9	49%	0.491	16%	0.16	S	C	.	.	S	Bend	trans	-78.9	-7.8	-176.9	-67.1	-78.1	0	0	0	114.4	R750 N751 R798	R750-F775 HydrophobicContact CB-CE2 4.48Å; R750-F775 WeakPolarHBondContact O-CE2 3.31Å; N751-F775 PolarHBondContact O-N 3.4Å; F775-R798 WeakPolarHBondContact O-CB 3.31Å; F775-R798 VanDerWaalsContact O-CD 3.27Å; F775-R798 WeakPolarHBondContact O-CD 3.41Å
776	A	90.6	Very high	95	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.008	16%	0.157	C	C	.	.	S	Bend	trans	-124.2	-127.6	170.5	0	0	0	0	0	111.1	G774 R798 F799	G774-A776 VanDerWaalsContact C-N 3.29Å; G774-A776 PolarHBondContact O-N 3.35Å; A776-R798 PolarHBondContact O-N 3.35Å; A776-F799 HydrophobicContact CB-CD2 3.76Å; A776-F799 HydrophobicContact CB-CE2 3.97Å; A776-F799 HydrophobicContact CB-CG 4.35Å; A776-F799 PolarHBondContact O-N 2.86Å
777	A	92.4	Very high	94.9	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	156.2	177.3	0	0	0	0	0	112.4	A754 G755 E780 G800 F803	A754-A777 CarbonylContact C-O 3.56Å; A754-A777 VanDerWaalsContact CA-O 3.25Å; A754-A777 WeakPolarHBondContact CA-O 3.43Å; G755-A777 PolarHBondContact N-O 3.38Å; A777-E780 HydrophobicContact CB-CB 4.49Å; A777-G800 WeakPolarHBondContact CA-O 3.36Å; A777-F803 HydrophobicContact CB-CD2 3.56Å; A777-F803 HydrophobicContact CB-CE2 3.83Å; A777-F803 HydrophobicContact CB-CG 4.3Å
778	G	95.1	Very high	94.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	-64.8	170.6	0	0	0	0	0	111.8	G755 V756 I771 G800 G801	G755-G778 CarbonylContact C-O 3.53Å; G755-G778 WeakPolarHBondContact CA-O 3.33Å; G755-G778 PolarHBondContact N-O 2.9Å; G755-G778 VanDerWaalsContact N-O 3.09Å; V756-G778 PolarHBondContact N-O 3.26Å; I771-G778 WeakPolarHBondContact CG2-O 3.24Å; G778-G800 PolarHBondContact N-O 3.42Å; G778-G801 CarbonylContact C-O 3.6Å; G778-G801 VanDerWaalsContact CA-O 3.23Å; G778-G801 WeakPolarHBondContact CA-O 3.17Å; G778-G801 PolarHBondContact N-O 2.65Å
779	I	96.9	Very high	94.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	138.4	171.1	-60.5	177.3	0	0	0	109.2	V756 I758 L766 I771 I781 L789 I794 G801 L802 F803	V756-I779 HydrophobicContact CB-CG1 4.43Å; V756-I779 CarbonylContact O-C 3.58Å; V756-I779 WeakPolarHBondContact O-CA 3.36Å; I758-I779 HydrophobicContact CD1-CG2 4.42Å; L766-I779 HydrophobicContact CD2-CD1 3.74Å; L766-I779 HydrophobicContact CD2-CG1 4.44Å; I771-I779 HydrophobicContact CD1-CD1 3.71Å; I771-I779 HydrophobicContact CD1-CG1 3.52Å; I779-I781 HydrophobicContact CG2-CD1 3.92Å; I779-I781 HydrophobicContact CG2-CG1 3.8Å; I779-L789 HydrophobicContact CD1-CD1 4Å; I779-L789 HydrophobicContact CD1-CD2 4.15Å; I779-I794 HydrophobicContact CD1-CD1 3.47Å; I779-I794 VanDerWaalsContact CD1-CD1 3.47Å; I779-I794 HydrophobicContact CD1-CG1 4.47Å; I779-I794 HydrophobicContact CG1-CD1 3.88Å; I779-G801 PolarHBondContact N-O 3.23Å; I779-L802 HydrophobicContact CB-CD1 3.68Å; I779-L802 HydrophobicContact CG2-CD1 3.64Å; I779-L802 CarbonylContact O-C 3.53Å; I779-L802 WeakPolarHBondContact O-CA 3.5Å; I779-F803 PolarHBondContact O-N 2.83Å
780	E	95.1	Very high	94.8	Very high	3 Å²	3	30 Å²	30	1%	0.014	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	128.5	178.6	-162.3	-173.7	128.5	0	0	110.2	A754 V756 L757 I758 A777 F803 M845 R883	A754-E780 HydrophobicContact CB-CB 3.85Å; V756-E780 PolarHBondContact O-N 3.38Å; L757-E780 CarbonylContact C-O 3.55Å; L757-E780 WeakPolarHBondContact CA-O 3.32Å; L757-E780 HydrophobicContact CD1-CB 3.95Å; L757-E780 HydrophobicContact CD1-CG 4.09Å; I758-E780 PolarHBondContact N-O 2.99Å; A777-E780 HydrophobicContact CB-CB 4.49Å; E780-F803 HydrophobicContact CG-CB 4.32Å; E780-M845 HydrophobicContact CG-CE 3.45Å; E780-M845 VanDerWaalsContact CG-CE 3.45Å; E780-R883 VanDerWaalsContact OE1-CD 3.26Å; E780-R883 WeakPolarHBondContact OE1-CD 3.28Å; E780-R883 IonicContact OE1-CZ 3.73Å; E780-R883 IonicContact OE1-NE 2.73Å; E780-R883 IonicContact OE1-NH1 3.57Å; E780-R883 PolarHBondContact OE1-NH1 2.78Å; E780-R883 IonicContact OE2-NH1 2.76Å; E780-R883 PolarHBondContact OE2-NH1 3.48Å
781	I	95.4	Very high	94.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	124.5	-174	-48.5	-179	0	0	0	110.5	I758 I779 A785 A787 L802 F803 L804 A805 V808 V810	I758-I781 HydrophobicContact CB-CG1 4.16Å; I758-I781 HydrophobicContact CB-CG2 4.21Å; I758-I781 HydrophobicContact CD1-CD1 4Å; I758-I781 HydrophobicContact CD1-CG1 4.05Å; I758-I781 HydrophobicContact CG1-CG1 4.34Å; I758-I781 CarbonylContact O-C 3.56Å; I758-I781 VanDerWaalsContact O-CA 3.29Å; I758-I781 WeakPolarHBondContact O-CA 3.27Å; I779-I781 HydrophobicContact CG2-CD1 3.92Å; I779-I781 HydrophobicContact CG2-CG1 3.8Å; I781-A785 HydrophobicContact CG2-CB 3.95Å; I781-A787 HydrophobicContact CD1-CB 3.81Å; I781-L802 HydrophobicContact CD1-CD1 4.33Å; I781-F803 PolarHBondContact N-O 2.79Å; I781-L804 HydrophobicContact CB-CD2 4.02Å; I781-L804 HydrophobicContact CD1-CD2 3.88Å; I781-L804 HydrophobicContact CG1-CD2 4.16Å; I781-A805 PolarHBondContact O-N 2.94Å; I781-V808 HydrophobicContact CB-CG1 3.9Å; I781-V808 HydrophobicContact CG2-CG1 3.44Å; I781-V808 VanDerWaalsContact CG2-CG1 3.44Å; I781-V808 HydrophobicContact CG2-CG2 4.33Å; I781-V810 HydrophobicContact CD1-CG1 3.59Å
782	T	93.7	Very high	94.8	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.018	15%	0.145	C	C	.	.			trans	-139.3	176.5	-170.3	65.3	0	0	0	0	113	I758 S759 H784 A785 A805 M845 R883	I758-T782 PolarHBondContact O-N 3.22Å; S759-T782 WeakPolarHBondContact CB-OG1 3.5Å; S759-T782 PolarHBondContact OG-OG1 3.39Å; T782-H784 PolarHBondContact O-N 2.96Å; T782-A785 VanDerWaalsContact O-CB 3.29Å; T782-A785 WeakPolarHBondContact O-CB 3.34Å; T782-A785 PolarHBondContact O-N 2.88Å; T782-A805 HydrophobicContact CG2-CB 4.22Å; T782-M845 HydrophobicContact CG2-CE 3.54Å; T782-R883 HydrophobicContact CG2-CB 4.37Å
783	N	89.5	Confident	94.8	Very high	71 Å²	71	29.9 Å²	29.9	38%	0.38	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	53.8	164.9	-65.5	-55.9	0	0	0	114.8	S759 T760 N761 A785	S759-N783 WeakPolarHBondContact OG-CB 3.31Å; S759-N783 PolarHBondContact OG-ND2 2.91Å; T760-N783 VanDerWaalsContact CA-O 3.29Å; T760-N783 WeakPolarHBondContact CA-O 3.39Å; T760-N783 PolarHBondContact N-O 3.02Å; N761-N783 PolarHBondContact N-O 3.44Å; N761-N783 VanDerWaalsContact N-O 3.14Å; N783-A785 PolarHBondContact O-N 3.03Å
784	H	89	Confident	94.9	Very high	135 Å²	135	27.3 Å²	27.3	63%	0.625	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	15.9	178.7	-49.3	99.2	0	0	0	115.4	N761 T782	N761-H784 WeakPolarHBondContact OD1-CB 3.35Å; T782-H784 PolarHBondContact O-N 2.96Å
785	A	94.5	Very high	95.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.			trans	-68.6	157.7	167.9	0	0	0	0	0	111.5	I758 S762 I781 T782 N783	I758-A785 HydrophobicContact CG2-CB 3.89Å; S762-A785 WeakPolarHBondContact O-CA 3.4Å; S762-A785 WeakPolarHBondContact O-CB 3.29Å; I781-A785 HydrophobicContact CG2-CB 3.95Å; T782-A785 VanDerWaalsContact O-CB 3.29Å; T782-A785 WeakPolarHBondContact O-CB 3.34Å; T782-A785 PolarHBondContact O-N 2.88Å; N783-A785 PolarHBondContact O-N 3.03Å
786	T	95	Very high	95.5	Very high	47 Å²	47	26.9 Å²	26.9	29%	0.288	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	165.1	170.5	67.8	0	0	0	0	109.4	S762 H763 P764 N809	S762-T786 PolarHBondContact O-N 3.04Å; S762-T786 VanDerWaalsContact O-O 3.07Å; H763-T786 PolarHBondContact CD2-OG1 3.4Å; H763-T786 PolarHBondContact NE2-OG1 3.4Å; P764-T786 WeakPolarHBondContact CD-O 3.24Å; T786-N809 WeakPolarHBondContact CA-O 3.22Å; T786-N809 WeakPolarHBondContact CB-O 3.39Å
787	A	96.4	Very high	95.7	Very high	3 Å²	3	26.9 Å²	26.9	3%	0.025	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	150.5	173.4	0	0	0	0	0	111.5	I758 I781 L789 V810 T811	I758-A787 HydrophobicContact CD1-CB 3.96Å; I781-A787 HydrophobicContact CD1-CB 3.81Å; A787-L789 HydrophobicContact CB-CD2 3.82Å; A787-L789 HydrophobicContact CB-CG 4.23Å; A787-V810 HydrophobicContact CB-CG1 4.26Å; A787-V810 WeakPolarHBondContact O-CA 3.37Å; A787-T811 PolarHBondContact O-N 2.85Å
788	T	97.9	Very high	95.7	Very high	53 Å²	53	31.9 Å²	31.9	33%	0.325	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	114.8	162	-61.3	0	0	0	0	108.8	P764 I765 L766 T811	P764-T788 PolarHBondContact O-N 2.68Å; I765-T788 WeakPolarHBondContact CA-O 3.41Å; I765-T788 HydrophobicContact CG2-CG2 4.43Å; L766-T788 PolarHBondContact N-O 3.26Å; T788-T811 HydrophobicContact CG2-CG2 4.24Å
789	L	98.1	Very high	95.4	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	114	-179.6	-52	-173.8	0	0	0	108.4	L766 I779 A787 L802 T811 M812 K813 N815	L766-L789 HydrophobicContact CB-CD2 3.69Å; L766-L789 HydrophobicContact CD1-CD2 4.26Å; L766-L789 HydrophobicContact CD2-CD2 3.83Å; L766-L789 HydrophobicContact CG-CD2 4.14Å; L766-L789 WeakPolarHBondContact O-CA 3.5Å; I779-L789 HydrophobicContact CD1-CD1 4Å; I779-L789 HydrophobicContact CD1-CD2 4.15Å; A787-L789 HydrophobicContact CB-CD2 3.82Å; A787-L789 HydrophobicContact CB-CG 4.23Å; L789-L802 HydrophobicContact CD1-CD1 4.09Å; L789-L802 HydrophobicContact CD1-CD2 4.25Å; L789-T811 PolarHBondContact N-O 2.82Å; L789-M812 HydrophobicContact CB-SD 3.78Å; L789-M812 HydrophobicContact CD1-SD 3.67Å; L789-M812 HydrophobicContact CG-SD 4.14Å; L789-K813 PolarHBondContact O-N 3.11Å; L789-N815 PolarHBondContact O-ND2 2.98Å
790	E	98.3	Very high	95.1	Very high	40 Å²	40	32.2 Å²	32.2	19%	0.187	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	113.7	-178.2	-174.2	173.6	-148.1	0	0	112.7	L766 R767 K768 N792 K813 N815	L766-E790 PolarHBondContact O-N 3.31Å; R767-E790 CarbonylContact C-O 3.36Å; R767-E790 VanDerWaalsContact CA-O 3.24Å; R767-E790 WeakPolarHBondContact CA-O 3.48Å; R767-E790 IonicContact CZ-OE2 3.28Å; R767-E790 IonicContact NE-OE2 3.62Å; R767-E790 PolarHBondContact NE-OE2 3Å; R767-E790 IonicContact NH2-OE2 3.19Å; R767-E790 PolarHBondContact NH2-OE2 2.98Å; K768-E790 PolarHBondContact N-O 3.16Å; E790-N792 VanDerWaalsContact C-N 3.26Å; E790-N792 PolarHBondContact N-ND2 2.9Å; E790-N792 VanDerWaalsContact N-ND2 3.15Å; E790-N792 PolarHBondContact O-N 3.12Å; E790-N792 PolarHBondContact O-ND2 2.79Å; E790-K813 CarbonylContact C-O 3.48Å; E790-K813 VanDerWaalsContact CA-O 3.31Å; E790-K813 WeakPolarHBondContact CA-O 3.12Å; E790-K813 HydrophobicContact CG-CB 4.43Å; E790-K813 HydrophobicContact CG-CD 4.15Å; E790-K813 HydrophobicContact CG-CG 4.38Å; E790-K813 WeakPolarHBondContact OE1-CD 3.45Å; E790-K813 WeakPolarHBondContact OE1-CE 3.39Å; E790-K813 IonicContact OE1-NZ 2.76Å; E790-K813 PolarHBondContact OE1-NZ 3.19Å; E790-N815 PolarHBondContact N-OD1 2.92Å
791	G	97.9	Very high	95	Very high	24 Å²	24	32.4 Å²	32.4	25%	0.247	17%	0.166	C	C	.	.	S	Bend	trans	68.4	13.9	171.3	0	0	0	0	0	116.3	K813 N815	G791-K813 PolarHBondContact N-O 3.27Å; G791-N815 PolarHBondContact N-OD1 3.09Å
792	N	98.5	Very high	94.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.			trans	-72	155.7	-179.1	-54.3	-83.4	0	0	0	111.7	L766 K768 N769 E790 N815 K816	L766-N792 PolarHBondContact O-ND2 3.24Å; K768-N792 PolarHBondContact N-OD1 2.96Å; N769-N792 WeakPolarHBondContact CB-OD1 3.18Å; N769-N792 PolarHBondContact N-OD1 3.29Å; N769-N792 PolarHBondContact ND2-OD1 3.04Å; N769-N792 CarbonylContact O-C 3.6Å; N769-N792 WeakPolarHBondContact O-CA 3.14Å; E790-N792 VanDerWaalsContact C-N 3.26Å; E790-N792 PolarHBondContact N-ND2 2.9Å; E790-N792 VanDerWaalsContact N-ND2 3.15Å; E790-N792 PolarHBondContact O-N 3.12Å; E790-N792 PolarHBondContact O-ND2 2.79Å; N792-N815 WeakPolarHBondContact CB-OD1 3.37Å; N792-N815 PolarHBondContact N-OD1 3.39Å; N792-N815 PolarHBondContact ND2-OD1 3.5Å; N792-N815 CarbonylContact O-C 3.58Å; N792-N815 WeakPolarHBondContact O-CA 3.31Å; N792-K816 PolarHBondContact O-N 2.8Å
793	Q	98.4	Very high	94.9	Very high	76 Å²	76	35.3 Å²	35.3	36%	0.355	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	122	177.9	-56.4	179.4	18.9	0	0	109.4	N769 R770 I771 F795 K816	N769-Q793 PolarHBondContact O-N 2.76Å; R770-Q793 WeakPolarHBondContact CA-O 3.47Å; R770-Q793 HydrophobicContact CG-CB 4.22Å; I771-Q793 PolarHBondContact N-O 2.74Å; Q793-F795 HydrophobicContact CB-CD1 4.29Å; Q793-F795 HydrophobicContact CB-CE1 4.28Å; Q793-K816 WeakPolarHBondContact CA-O 3.43Å
794	I	98.2	Very high	95.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	107	-171.4	-46.7	175.4	0	0	0	109.9	I771 I779 G801 K816 I817 M818 N820	I771-I794 HydrophobicContact CB-CG2 4.43Å; I771-I794 WeakPolarHBondContact O-CA 3.42Å; I779-I794 HydrophobicContact CD1-CD1 3.47Å; I779-I794 VanDerWaalsContact CD1-CD1 3.47Å; I779-I794 HydrophobicContact CD1-CG1 4.47Å; I779-I794 HydrophobicContact CG1-CD1 3.88Å; I794-G801 WeakPolarHBondContact CG2-O 3.44Å; I794-K816 PolarHBondContact N-O 3.45Å; I794-I817 HydrophobicContact CB-CG1 4.22Å; I794-I817 HydrophobicContact CD1-CG1 4.1Å; I794-I817 HydrophobicContact CG1-CG1 4.46Å; I794-I817 WeakPolarHBondContact O-CA 3.38Å; I794-M818 PolarHBondContact O-N 3.12Å; I794-M818 VanDerWaalsContact O-N 3.09Å; I794-N820 PolarHBondContact O-ND2 2.67Å; I794-N820 VanDerWaalsContact O-ND2 3.15Å
795	F	97.9	Very high	95.3	Very high	47 Å²	47	28.6 Å²	28.6	21%	0.206	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	154	-167	62.3	-88.3	0	0	0	115.3	I771 F772 D773 Q793 N797 M818 N820	I771-F795 PolarHBondContact O-N 2.9Å; I771-F795 VanDerWaalsContact O-N 3.14Å; F772-F795 WeakPolarHBondContact CA-O 3.34Å; F772-F795 HydrophobicContact CB-CD1 4.05Å; F772-F795 HydrophobicContact CB-CD2 3.69Å; F772-F795 HydrophobicContact CB-CE1 3.77Å; F772-F795 HydrophobicContact CB-CE2 3.38Å; F772-F795 HydrophobicContact CB-CG 4.01Å; F772-F795 HydrophobicContact CB-CZ 3.42Å; F772-F795 VanDerWaalsContact CB-CZ 3.42Å; F772-F795 VanDerWaalsContact CB-O 3.24Å; F772-F795 WeakPolarHBondContact CB-O 3.47Å; F772-F795 HydrophobicContact CD1-CE1 4.26Å; F772-F795 AromaticContact CD1-CZ 3.88Å; F772-F795 HydrophobicContact CD1-CZ 3.88Å; F772-F795 AromaticContact CD2-CE2 3.87Å; F772-F795 HydrophobicContact CD2-CE2 3.87Å; F772-F795 AromaticContact CD2-CZ 3.93Å; F772-F795 HydrophobicContact CD2-CZ 3.93Å; F772-F795 HydrophobicContact CG-CD2 4.49Å; F772-F795 HydrophobicContact CG-CE1 4.11Å; F772-F795 AromaticContact CG-CE2 3.71Å; F772-F795 HydrophobicContact CG-CE2 3.71Å; F772-F795 AromaticContact CG-CZ 3.47Å; F772-F795 HydrophobicContact CG-CZ 3.47Å; F772-F795 VanDerWaalsContact CG-CZ 3.47Å; D773-F795 PolarHBondContact N-O 2.97Å; Q793-F795 HydrophobicContact CB-CD1 4.29Å; Q793-F795 HydrophobicContact CB-CE1 4.28Å; F795-N797 PolarHBondContact N-ND2 2.66Å; F795-N797 PolarHBondContact O-N 2.88Å; F795-N797 VanDerWaalsContact O-N 3.1Å; F795-N797 PolarHBondContact O-ND2 2.75Å; F795-M818 WeakPolarHBondContact CA-O 3.39Å; F795-M818 HydrophobicContact CB-CG 3.81Å; F795-M818 WeakPolarHBondContact CB-O 3.27Å; F795-N820 VanDerWaalsContact C-OD1 3.22Å; F795-N820 VanDerWaalsContact CA-OD1 3.32Å; F795-N820 WeakPolarHBondContact CA-OD1 3.47Å
796	N	95.8	Very high	94.9	Very high	61 Å²	61	31.4 Å²	31.4	33%	0.326	17%	0.17	S	C	.	.	S	Bend	trans	54.6	22.2	179.4	-163.3	33.5	0	0	0	116.1	D773 N819 N820 Q821	D773-N796 PolarHBondContact OD1-ND2 2.71Å; N796-N819 WeakPolarHBondContact CA-O 3.31Å; N796-N819 PolarHBondContact N-O 2.97Å; N796-N820 PolarHBondContact N-OD1 2.87Å; N796-Q821 PolarHBondContact OD1-NE2 2.82Å
797	N	94.8	Very high	94.4	Very high	1 Å²	1	32 Å²	32	1%	0.005	19%	0.185	C	C	.	.			trans	-78.7	143.7	172.3	-56.4	-77.7	0	0	0	110.1	I771 G774 F795 N820 Q821	I771-N797 PolarHBondContact O-ND2 2.81Å; G774-N797 PolarHBondContact N-OD1 2.99Å; G774-N797 VanDerWaalsContact N-OD1 3.11Å; G774-N797 WeakPolarHBondContact O-CA 3.36Å; F795-N797 PolarHBondContact N-ND2 2.66Å; F795-N797 PolarHBondContact O-N 2.88Å; F795-N797 VanDerWaalsContact O-N 3.1Å; F795-N797 PolarHBondContact O-ND2 2.75Å; N797-N820 WeakPolarHBondContact CB-OD1 3.42Å; N797-N820 PolarHBondContact N-OD1 2.84Å; N797-N820 PolarHBondContact ND2-OD1 2.73Å; N797-Q821 PolarHBondContact O-N 2.87Å
798	R	92.8	Very high	94.2	Very high	105 Å²	105	32.6 Å²	32.6	40%	0.396	19%	0.189	S	C	.	.	S	Bend	trans	-67.6	-46.7	-168	-171	-174.7	174.9	-153.6	-3.8	113.7	G774 F775 A776 Q821 D822 A823	G774-R798 PolarHBondContact O-N 2.93Å; F775-R798 WeakPolarHBondContact O-CB 3.31Å; F775-R798 VanDerWaalsContact O-CD 3.27Å; F775-R798 WeakPolarHBondContact O-CD 3.41Å; A776-R798 PolarHBondContact O-N 3.35Å; R798-Q821 CarbonylContact O-C 3.58Å; R798-Q821 WeakPolarHBondContact O-CB 3.47Å; R798-D822 PolarHBondContact O-N 2.9Å; R798-A823 WeakPolarHBondContact O-CB 3.13Å; R798-A823 PolarHBondContact O-N 2.98Å; R798-A823 VanDerWaalsContact O-N 3.09Å
799	F	89.8	Confident	93.7	Very high	5 Å²	5	35.8 Å²	35.8	2%	0.022	20%	0.204	C	C	.	.	S	Bend	trans	-85.2	-38.7	-174.9	-71.4	-3	0	0	0	112.7	A776 F803 D822 A823 I824 I837	A776-F799 HydrophobicContact CB-CD2 3.76Å; A776-F799 HydrophobicContact CB-CE2 3.97Å; A776-F799 HydrophobicContact CB-CG 4.35Å; A776-F799 PolarHBondContact O-N 2.86Å; F799-F803 HydrophobicContact CB-CE2 3.92Å; F799-F803 HydrophobicContact CB-CZ 4.15Å; F799-F803 WeakPolarHBondContact O-CZ 3.42Å; F799-D822 CarbonylContact O-C 3.57Å; F799-D822 WeakPolarHBondContact O-CA 3.39Å; F799-A823 HydrophobicContact CD1-CB 4.39Å; F799-A823 PolarHBondContact O-N 3.32Å; F799-I824 HydrophobicContact CB-CD1 4.27Å; F799-I824 HydrophobicContact CB-CG1 3.83Å; F799-I824 HydrophobicContact CD1-CD1 4Å; F799-I824 HydrophobicContact CD1-CG1 4.45Å; F799-I824 HydrophobicContact CD2-CD1 4.15Å; F799-I824 HydrophobicContact CD2-CG1 4.44Å; F799-I824 HydrophobicContact CE1-CD1 4.36Å; F799-I824 HydrophobicContact CG-CD1 3.89Å; F799-I824 HydrophobicContact CG-CG1 4.02Å; F799-I837 HydrophobicContact CE1-CG2 4.27Å
800	G	90.2	Very high	93.5	Very high	2 Å²	2	37.6 Å²	37.6	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.7	172.6	-178.3	0	0	0	0	0	112.1	A777 G778	A777-G800 WeakPolarHBondContact CA-O 3.36Å; G778-G800 PolarHBondContact N-O 3.42Å
801	G	92.8	Very high	93.5	Very high	6 Å²	6	39.9 Å²	39.9	6%	0.062	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-64.2	-178.2	0	0	0	0	0	114.1	G778 I779 I794 N820	G778-G801 CarbonylContact C-O 3.6Å; G778-G801 VanDerWaalsContact CA-O 3.23Å; G778-G801 WeakPolarHBondContact CA-O 3.17Å; G778-G801 PolarHBondContact N-O 2.65Å; I779-G801 PolarHBondContact N-O 3.23Å; I794-G801 WeakPolarHBondContact CG2-O 3.44Å; G801-N820 WeakPolarHBondContact CA-ND2 3.26Å
802	L	94.4	Very high	93.3	Very high	37 Å²	37	42.7 Å²	42.7	19%	0.194	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	124.2	-177.1	172.4	65.4	0	0	0	109	I779 I781 L789 L804 M812 I817	I779-L802 HydrophobicContact CB-CD1 3.68Å; I779-L802 HydrophobicContact CG2-CD1 3.64Å; I779-L802 CarbonylContact O-C 3.53Å; I779-L802 WeakPolarHBondContact O-CA 3.5Å; I781-L802 HydrophobicContact CD1-CD1 4.33Å; L789-L802 HydrophobicContact CD1-CD1 4.09Å; L789-L802 HydrophobicContact CD1-CD2 4.25Å; L802-L804 HydrophobicContact CD1-CD2 3.92Å; L802-L804 HydrophobicContact CD2-CD2 4.47Å; L802-L804 HydrophobicContact CG-CD2 4.15Å; L802-L804 HydrophobicContact CG-CG 4.3Å; L802-M812 HydrophobicContact CD2-CE 3.75Å; L802-M812 HydrophobicContact CD2-SD 4.05Å; L802-I817 HydrophobicContact CB-CD1 3.76Å; L802-I817 HydrophobicContact CD2-CD1 4.06Å
803	F	93.1	Very high	93.3	Very high	28 Å²	28	47.7 Å²	47.7	12%	0.123	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	136.9	175.3	-66.9	-25	0	0	0	111.1	A777 I779 E780 I781 F799 I824 M845	A777-F803 HydrophobicContact CB-CD2 3.56Å; A777-F803 HydrophobicContact CB-CE2 3.83Å; A777-F803 HydrophobicContact CB-CG 4.3Å; I779-F803 PolarHBondContact O-N 2.83Å; E780-F803 HydrophobicContact CG-CB 4.32Å; I781-F803 PolarHBondContact N-O 2.79Å; F799-F803 HydrophobicContact CB-CE2 3.92Å; F799-F803 HydrophobicContact CB-CZ 4.15Å; F799-F803 WeakPolarHBondContact O-CZ 3.42Å; F803-I824 HydrophobicContact CE2-CG1 4.5Å; F803-I824 HydrophobicContact CZ-CG1 4.22Å; F803-M845 HydrophobicContact CB-CB 4.08Å; F803-M845 HydrophobicContact CB-CE 3.82Å; F803-M845 HydrophobicContact CB-SD 3.79Å; F803-M845 HydrophobicContact CD2-CB 3.89Å; F803-M845 HydrophobicContact CG-CB 4.17Å
804	L	93.5	Very high	93.2	Very high	57 Å²	57	49.8 Å²	49.8	30%	0.298	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	120.7	-174.7	-55.7	176.6	0	0	0	109.5	I781 L802 V808 V810 H881	I781-L804 HydrophobicContact CB-CD2 4.02Å; I781-L804 HydrophobicContact CD1-CD2 3.88Å; I781-L804 HydrophobicContact CG1-CD2 4.16Å; L802-L804 HydrophobicContact CD1-CD2 3.92Å; L802-L804 HydrophobicContact CD2-CD2 4.47Å; L802-L804 HydrophobicContact CG-CD2 4.15Å; L802-L804 HydrophobicContact CG-CG 4.3Å; L804-V808 HydrophobicContact CB-CB 4.46Å; L804-V808 HydrophobicContact CB-CG1 4.26Å; L804-V808 HydrophobicContact CD2-CG1 3.98Å; L804-V810 HydrophobicContact CD1-CG2 3.76Å; L804-V810 HydrophobicContact CD2-CG1 3.74Å; L804-V810 HydrophobicContact CD2-CG2 4.11Å; L804-H881 PolarHBondContact O-CD2 3.16Å
805	A	92	Very high	93.1	Very high	8 Å²	8	51.2 Å²	51.2	7%	0.066	28%	0.282	C	S	.	.			trans	-71.8	164.1	178.8	0	0	0	0	0	112.7	I781 T782 G807 V808 M845 H881	I781-A805 PolarHBondContact O-N 2.94Å; T782-A805 HydrophobicContact CG2-CB 4.22Å; A805-G807 PolarHBondContact O-N 2.81Å; A805-V808 HydrophobicContact CB-CG2 4.02Å; A805-V808 VanDerWaalsContact O-CB 3.28Å; A805-V808 WeakPolarHBondContact O-CB 3.09Å; A805-V808 PolarHBondContact O-N 3.5Å; A805-M845 HydrophobicContact CB-CE 4.42Å; A805-M845 HydrophobicContact CB-SD 4.18Å; A805-M845 PolarHBondContact N-SD 3.31Å; A805-M845 VanDerWaalsContact N-SD 3.39Å; A805-H881 CarbonylContact C-O 3.5Å; A805-H881 WeakPolarHBondContact CA-O 3.18Å; A805-H881 WeakPolarHBondContact CB-O 3.49Å
806	S	87.5	Confident	93.1	Very high	59 Å²	59	54.9 Å²	54.9	41%	0.413	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	126.7	173.4	-66.2	0	0	0	0	111.7	V808 H881	S806-V808 VanDerWaalsContact C-N 3.34Å; S806-H881 PolarHBondContact N-O 3.04Å; S806-H881 WeakPolarHBondContact OG-CB 3.43Å; S806-H881 PolarHBondContact OG-N 2.88Å
807	G	84.5	Confident	93.1	Very high	60 Å²	60	55.7 Å²	55.7	62%	0.619	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	-8.4	-178.8	0	0	0	0	0	115.6	A805 N809	A805-G807 PolarHBondContact O-N 2.81Å; G807-N809 PolarHBondContact O-ND2 2.85Å
808	V	92.1	Very high	93.1	Very high	15 Å²	15	59.3 Å²	59.3	9%	0.091	32%	0.319	C	S	.	.			trans	-73.2	134.4	174.8	170	0	0	0	0	110.7	I781 L804 A805 S806 V810	I781-V808 HydrophobicContact CB-CG1 3.9Å; I781-V808 HydrophobicContact CG2-CG1 3.44Å; I781-V808 VanDerWaalsContact CG2-CG1 3.44Å; I781-V808 HydrophobicContact CG2-CG2 4.33Å; L804-V808 HydrophobicContact CB-CB 4.46Å; L804-V808 HydrophobicContact CB-CG1 4.26Å; L804-V808 HydrophobicContact CD2-CG1 3.98Å; A805-V808 HydrophobicContact CB-CG2 4.02Å; A805-V808 VanDerWaalsContact O-CB 3.28Å; A805-V808 WeakPolarHBondContact O-CB 3.09Å; A805-V808 PolarHBondContact O-N 3.5Å; S806-V808 VanDerWaalsContact C-N 3.34Å; V808-V810 HydrophobicContact CG1-CG1 4.33Å
809	N	87.8	Confident	93.1	Very high	120 Å²	120	60.6 Å²	60.6	64%	0.642	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.5	139.6	175.2	-73.3	-85.2	0	0	0	110.2	T786 G807	T786-N809 WeakPolarHBondContact CA-O 3.22Å; T786-N809 WeakPolarHBondContact CB-O 3.39Å; G807-N809 PolarHBondContact O-ND2 2.85Å
810	V	94.3	Very high	93.3	Very high	38 Å²	38	61 Å²	61	23%	0.23	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	141.1	-177.8	-69.6	0	0	0	0	112.2	I781 A787 L804 V808 M812	I781-V810 HydrophobicContact CD1-CG1 3.59Å; A787-V810 HydrophobicContact CB-CG1 4.26Å; A787-V810 WeakPolarHBondContact O-CA 3.37Å; L804-V810 HydrophobicContact CD1-CG2 3.76Å; L804-V810 HydrophobicContact CD2-CG1 3.74Å; L804-V810 HydrophobicContact CD2-CG2 4.11Å; V808-V810 HydrophobicContact CG1-CG1 4.33Å; V810-M812 HydrophobicContact CG2-CG 3.96Å; V810-M812 HydrophobicContact CG2-SD 4.46Å
811	T	96.4	Very high	93.4	Very high	88 Å²	88	65.2 Å²	65.2	54%	0.54	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	112.3	170.8	-60.2	0	0	0	0	108.6	A787 T788 L789	A787-T811 PolarHBondContact O-N 2.85Å; T788-T811 HydrophobicContact CG2-CG2 4.24Å; L789-T811 PolarHBondContact N-O 2.82Å
812	M	95.6	Very high	93.3	Very high	84 Å²	84	67.2 Å²	67.2	41%	0.414	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.5	-178.8	-70.1	-71.1	-85	0	0	111.1	L789 L802 V810 N815 I817	L789-M812 HydrophobicContact CB-SD 3.78Å; L789-M812 HydrophobicContact CD1-SD 3.67Å; L789-M812 HydrophobicContact CG-SD 4.14Å; L802-M812 HydrophobicContact CD2-CE 3.75Å; L802-M812 HydrophobicContact CD2-SD 4.05Å; V810-M812 HydrophobicContact CG2-CG 3.96Å; V810-M812 HydrophobicContact CG2-SD 4.46Å; M812-N815 HydrophobicContact CE-CB 4.06Å; M812-N815 PolarHBondContact SD-ND2 2.91Å; M812-I817 HydrophobicContact CE-CD1 4.04Å
813	K	96.6	Very high	93	Very high	105 Å²	105	66.5 Å²	66.5	46%	0.457	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	130	172.2	177.4	179.8	167	-157.8	0	110.6	L789 E790 G791 N815	L789-K813 PolarHBondContact O-N 3.11Å; E790-K813 CarbonylContact C-O 3.48Å; E790-K813 VanDerWaalsContact CA-O 3.31Å; E790-K813 WeakPolarHBondContact CA-O 3.12Å; E790-K813 HydrophobicContact CG-CB 4.43Å; E790-K813 HydrophobicContact CG-CD 4.15Å; E790-K813 HydrophobicContact CG-CG 4.38Å; E790-K813 WeakPolarHBondContact OE1-CD 3.45Å; E790-K813 WeakPolarHBondContact OE1-CE 3.39Å; E790-K813 IonicContact OE1-NZ 2.76Å; E790-K813 PolarHBondContact OE1-NZ 3.19Å; G791-K813 PolarHBondContact N-O 3.27Å; K813-N815 PolarHBondContact N-ND2 2.92Å; K813-N815 PolarHBondContact O-N 3.4Å; K813-N815 PolarHBondContact O-ND2 2.85Å
814	D	96.4	Very high	92.7	Very high	119 Å²	119	65.4 Å²	65.4	64%	0.636	36%	0.36	S	S	*	.	S	Bend	trans	52.9	12.7	171.8	-52.9	-34.7	0	0	0	117.4
815	N	97.1	Very high	92.4	Very high	31 Å²	31	69.1 Å²	69.1	17%	0.166	38%	0.376	C	S	.	.			trans	-71.4	145.9	179.8	-56.4	-68.2	0	0	0	111.6	L789 E790 G791 N792 M812 K813	L789-N815 PolarHBondContact O-ND2 2.98Å; E790-N815 PolarHBondContact N-OD1 2.92Å; G791-N815 PolarHBondContact N-OD1 3.09Å; N792-N815 WeakPolarHBondContact CB-OD1 3.37Å; N792-N815 PolarHBondContact N-OD1 3.39Å; N792-N815 PolarHBondContact ND2-OD1 3.5Å; N792-N815 CarbonylContact O-C 3.58Å; N792-N815 WeakPolarHBondContact O-CA 3.31Å; M812-N815 HydrophobicContact CE-CB 4.06Å; M812-N815 PolarHBondContact SD-ND2 2.91Å; K813-N815 PolarHBondContact N-ND2 2.92Å; K813-N815 PolarHBondContact O-N 3.4Å; K813-N815 PolarHBondContact O-ND2 2.85Å
816	K	97.3	Very high	92.3	Very high	124 Å²	124	73.1 Å²	73.1	54%	0.539	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	102.7	178.9	-63	-177.7	-179.5	179.4	0	110.2	N792 Q793 I794 M818	N792-K816 PolarHBondContact O-N 2.8Å; Q793-K816 WeakPolarHBondContact CA-O 3.43Å; I794-K816 PolarHBondContact N-O 3.45Å; K816-M818 HydrophobicContact CB-CE 3.72Å; K816-M818 HydrophobicContact CD-CE 4.24Å
817	I	96.6	Very high	92.3	Very high	78 Å²	78	70.4 Å²	70.4	40%	0.4	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	119.4	173	-56.5	168	0	0	0	107	I794 L802 M812	I794-I817 HydrophobicContact CB-CG1 4.22Å; I794-I817 HydrophobicContact CD1-CG1 4.1Å; I794-I817 HydrophobicContact CG1-CG1 4.46Å; I794-I817 WeakPolarHBondContact O-CA 3.38Å; L802-I817 HydrophobicContact CB-CD1 3.76Å; L802-I817 HydrophobicContact CD2-CD1 4.06Å; M812-I817 HydrophobicContact CE-CD1 4.04Å
818	M	95.3	Very high	92.4	Very high	77 Å²	77	69 Å²	69	38%	0.379	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	155.2	-173.1	69.2	-179.6	81.4	0	0	112	I794 F795 K816 N820	I794-M818 PolarHBondContact O-N 3.12Å; I794-M818 VanDerWaalsContact O-N 3.09Å; F795-M818 WeakPolarHBondContact CA-O 3.39Å; F795-M818 HydrophobicContact CB-CG 3.81Å; F795-M818 WeakPolarHBondContact CB-O 3.27Å; K816-M818 HydrophobicContact CB-CE 3.72Å; K816-M818 HydrophobicContact CD-CE 4.24Å; M818-N820 PolarHBondContact O-N 3.01Å; M818-N820 PolarHBondContact O-ND2 3.17Å
819	N	92.7	Very high	92.3	Very high	132 Å²	132	73.1 Å²	73.1	71%	0.706	38%	0.381	S	S	*	.			trans	50.8	33.2	165.3	-52.4	-19.3	0	0	0	114.9	N796	N796-N819 WeakPolarHBondContact CA-O 3.31Å; N796-N819 PolarHBondContact N-O 2.97Å
820	N	94	Very high	92.3	Very high	14 Å²	14	76 Å²	76	8%	0.075	38%	0.383	C	S	.	.			trans	-78.3	164.5	171.2	-64.6	-74.2	0	0	0	109.1	I794 F795 N796 N797 G801 M818 D822	I794-N820 PolarHBondContact O-ND2 2.67Å; I794-N820 VanDerWaalsContact O-ND2 3.15Å; F795-N820 VanDerWaalsContact C-OD1 3.22Å; F795-N820 VanDerWaalsContact CA-OD1 3.32Å; F795-N820 WeakPolarHBondContact CA-OD1 3.47Å; N796-N820 PolarHBondContact N-OD1 2.87Å; N797-N820 WeakPolarHBondContact CB-OD1 3.42Å; N797-N820 PolarHBondContact N-OD1 2.84Å; N797-N820 PolarHBondContact ND2-OD1 2.73Å; G801-N820 WeakPolarHBondContact CA-ND2 3.26Å; M818-N820 PolarHBondContact O-N 3.01Å; M818-N820 PolarHBondContact O-ND2 3.17Å; N820-D822 VanDerWaalsContact CB-OD1 3.3Å; N820-D822 WeakPolarHBondContact CB-OD1 3.4Å
821	Q	91.8	Very high	92	Very high	90 Å²	90	75.5 Å²	75.5	42%	0.421	39%	0.386	S	S	.	.			trans	-90.4	-10.8	-174.7	-52.6	180	10.3	0	0	112.6	N796 N797 R798 A823 K826	N796-Q821 PolarHBondContact OD1-NE2 2.82Å; N797-Q821 PolarHBondContact O-N 2.87Å; R798-Q821 CarbonylContact O-C 3.58Å; R798-Q821 WeakPolarHBondContact O-CB 3.47Å; Q821-A823 PolarHBondContact O-N 2.83Å; Q821-K826 VanDerWaalsContact O-CD 3.31Å; Q821-K826 WeakPolarHBondContact O-CD 3.37Å; Q821-K826 WeakPolarHBondContact O-CE 3.28Å; Q821-K826 PolarHBondContact O-NZ 2.74Å
822	D	90.8	Very high	91.6	Very high	47 Å²	47	74.7 Å²	74.7	25%	0.251	38%	0.376	S	S	.	.			trans	46.7	40.1	168.2	-43	-40.7	0	0	0	113.3	R798 F799 N820 I824 E825 K826	R798-D822 PolarHBondContact O-N 2.9Å; F799-D822 CarbonylContact O-C 3.57Å; F799-D822 WeakPolarHBondContact O-CA 3.39Å; N820-D822 VanDerWaalsContact CB-OD1 3.3Å; N820-D822 WeakPolarHBondContact CB-OD1 3.4Å; D822-I824 PolarHBondContact O-N 3.32Å; D822-E825 PolarHBondContact O-N 2.91Å; D822-K826 WeakPolarHBondContact O-CB 3.12Å; D822-K826 WeakPolarHBondContact O-CG 3.48Å; D822-K826 PolarHBondContact O-N 2.9Å
823	A	87.9	Confident	91.3	Very high	22 Å²	22	70.7 Å²	70.7	18%	0.182	36%	0.356	C	S	.	.	H	α-helix	trans	-62.3	-27.8	-171.1	0	0	0	0	0	112.8	R798 F799 Q821 A827 I837	R798-A823 WeakPolarHBondContact O-CB 3.13Å; R798-A823 PolarHBondContact O-N 2.98Å; R798-A823 VanDerWaalsContact O-N 3.09Å; F799-A823 HydrophobicContact CD1-CB 4.39Å; F799-A823 PolarHBondContact O-N 3.32Å; Q821-A823 PolarHBondContact O-N 2.83Å; A823-A827 VanDerWaalsContact O-CB 3.3Å; A823-A827 WeakPolarHBondContact O-CB 3.28Å; A823-A827 PolarHBondContact O-N 3.42Å; A823-I837 HydrophobicContact CB-CG2 4.24Å
824	I	87.1	Confident	90.7	Very high	6 Å²	6	65.7 Å²	65.7	3%	0.031	34%	0.335	C	S	.	.	H	α-helix	trans	-67.7	-56	176.6	-53.7	-51.1	0	0	0	109.9	F799 F803 D822 K826 A827 V828 L834 I837 P844	F799-I824 HydrophobicContact CB-CD1 4.27Å; F799-I824 HydrophobicContact CB-CG1 3.83Å; F799-I824 HydrophobicContact CD1-CD1 4Å; F799-I824 HydrophobicContact CD1-CG1 4.45Å; F799-I824 HydrophobicContact CD2-CD1 4.15Å; F799-I824 HydrophobicContact CD2-CG1 4.44Å; F799-I824 HydrophobicContact CE1-CD1 4.36Å; F799-I824 HydrophobicContact CG-CD1 3.89Å; F799-I824 HydrophobicContact CG-CG1 4.02Å; F803-I824 HydrophobicContact CE2-CG1 4.5Å; F803-I824 HydrophobicContact CZ-CG1 4.22Å; D822-I824 PolarHBondContact O-N 3.32Å; I824-K826 VanDerWaalsContact C-N 3.27Å; I824-K826 PolarHBondContact O-N 3.35Å; I824-A827 PolarHBondContact O-N 3.4Å; I824-V828 HydrophobicContact CG2-CG2 4.39Å; I824-V828 VanDerWaalsContact O-CG2 3.24Å; I824-V828 WeakPolarHBondContact O-CG2 3.26Å; I824-V828 PolarHBondContact O-N 2.91Å; I824-L834 HydrophobicContact CG2-CD2 4.12Å; I824-I837 HydrophobicContact CD1-CD1 3.81Å; I824-I837 HydrophobicContact CD1-CG2 4.35Å; I824-P844 HydrophobicContact CD1-CB 3.61Å; I824-P844 HydrophobicContact CG1-CB 4.28Å
825	E	87.3	Confident	90.1	Very high	135 Å²	135	62.5 Å²	62.5	63%	0.631	31%	0.314	S	S	*	.	H	α-helix	trans	-58	-39.5	177.2	-62	-175.4	-174.7	0	0	112.4	D822 A827 V828 S829	D822-E825 PolarHBondContact O-N 2.91Å; E825-A827 VanDerWaalsContact C-N 3.34Å; E825-A827 PolarHBondContact O-N 3.1Å; E825-V828 PolarHBondContact O-N 2.97Å; E825-S829 WeakPolarHBondContact O-CB 3.46Å; E825-S829 PolarHBondContact O-N 3.17Å; E825-S829 PolarHBondContact O-OG 2.94Å
826	K	89.4	Confident	89.4	Confident	91 Å²	91	66.3 Å²	66.3	40%	0.396	33%	0.329	S	S	.	.	H	α-helix	trans	-67.5	-30.6	177.5	-72.1	167.8	-168.5	161.1	0	112.9	Q821 D822 I824 S829 R830	Q821-K826 VanDerWaalsContact O-CD 3.31Å; Q821-K826 WeakPolarHBondContact O-CD 3.37Å; Q821-K826 WeakPolarHBondContact O-CE 3.28Å; Q821-K826 PolarHBondContact O-NZ 2.74Å; D822-K826 WeakPolarHBondContact O-CB 3.12Å; D822-K826 WeakPolarHBondContact O-CG 3.48Å; D822-K826 PolarHBondContact O-N 2.9Å; I824-K826 VanDerWaalsContact C-N 3.27Å; I824-K826 PolarHBondContact O-N 3.35Å; K826-S829 WeakPolarHBondContact CA-OG 3.12Å; K826-S829 PolarHBondContact O-OG 3.4Å; K826-R830 WeakPolarHBondContact O-CB 3.3Å; K826-R830 WeakPolarHBondContact O-CD 3.43Å; K826-R830 WeakPolarHBondContact O-CG 3.45Å; K826-R830 PolarHBondContact O-N 3.06Å
827	A	87.4	Confident	88.6	Confident	3 Å²	3	61.4 Å²	61.4	3%	0.025	31%	0.309	C	S	.	.	H	α-helix	trans	-82.1	-35.6	173.6	0	0	0	0	0	112.7	A823 I824 E825 R830 G831 Q832 I837 N865	A823-A827 VanDerWaalsContact O-CB 3.3Å; A823-A827 WeakPolarHBondContact O-CB 3.28Å; A823-A827 PolarHBondContact O-N 3.42Å; I824-A827 PolarHBondContact O-N 3.4Å; E825-A827 VanDerWaalsContact C-N 3.34Å; E825-A827 PolarHBondContact O-N 3.1Å; A827-R830 CarbonylContact O-C 3.55Å; A827-R830 PolarHBondContact O-N 3.3Å; A827-G831 PolarHBondContact O-N 3.5Å; A827-G831 VanDerWaalsContact O-N 3.16Å; A827-Q832 HydrophobicContact CB-CB 4.28Å; A827-Q832 PolarHBondContact O-N 3.32Å; A827-I837 HydrophobicContact CB-CD1 3.2Å; A827-I837 HydrophobicContact CB-CG1 3.61Å; A827-N865 PolarHBondContact O-ND2 3.44Å
828	V	87.5	Confident	87.5	Confident	31 Å²	31	57.9 Å²	57.9	19%	0.188	29%	0.291	C	S	.	.	H	α-helix	trans	-58	-54	173.4	170.9	0	0	0	0	109.8	I824 E825 R830 G831 L834 H846 V864 N865	I824-V828 HydrophobicContact CG2-CG2 4.39Å; I824-V828 VanDerWaalsContact O-CG2 3.24Å; I824-V828 WeakPolarHBondContact O-CG2 3.26Å; I824-V828 PolarHBondContact O-N 2.91Å; E825-V828 PolarHBondContact O-N 2.97Å; V828-R830 VanDerWaalsContact C-N 3.27Å; V828-R830 PolarHBondContact O-N 3.31Å; V828-G831 PolarHBondContact O-N 3.31Å; V828-L834 HydrophobicContact CG2-CD2 3.86Å; V828-H846 VanDerWaalsContact CG2-NE2 3.31Å; V828-H846 WeakPolarHBondContact CG2-NE2 3.04Å; V828-V864 HydrophobicContact CG1-CG1 3.89Å; V828-V864 HydrophobicContact CG2-CG1 4.33Å; V828-N865 WeakPolarHBondContact CA-ND2 3.49Å; V828-N865 PolarHBondContact O-ND2 2.88Å; V828-N865 PolarHBondContact O-OD1 3.42Å
829	S	88.4	Confident	86.3	Confident	100 Å²	100	56.2 Å²	56.2	70%	0.699	29%	0.287	S	S	*	.	H	α-helix	trans	-63.6	-26.6	176.8	52.5	0	0	0	0	114.1	E825 K826 G831	E825-S829 WeakPolarHBondContact O-CB 3.46Å; E825-S829 PolarHBondContact O-N 3.17Å; E825-S829 PolarHBondContact O-OG 2.94Å; K826-S829 WeakPolarHBondContact CA-OG 3.12Å; K826-S829 PolarHBondContact O-OG 3.4Å; S829-G831 VanDerWaalsContact C-N 3.32Å
830	R	89	Confident	84.8	Confident	180 Å²	180	54.1 Å²	54.1	68%	0.679	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	0.4	172.2	-73.3	170.7	-174.3	176.3	-2.6	114.5	K826 A827 V828 Q832	K826-R830 WeakPolarHBondContact O-CB 3.3Å; K826-R830 WeakPolarHBondContact O-CD 3.43Å; K826-R830 WeakPolarHBondContact O-CG 3.45Å; K826-R830 PolarHBondContact O-N 3.06Å; A827-R830 CarbonylContact O-C 3.55Å; A827-R830 PolarHBondContact O-N 3.3Å; V828-R830 VanDerWaalsContact C-N 3.27Å; V828-R830 PolarHBondContact O-N 3.31Å; R830-Q832 VanDerWaalsContact C-N 3.29Å; R830-Q832 HydrophobicContact CB-CG 4.08Å; R830-Q832 PolarHBondContact O-N 3.06Å
831	G	87.6	Confident	83.4	Confident	29 Å²	29	57.2 Å²	57.2	30%	0.299	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	17.1	179.7	0	0	0	0	0	114.9	A827 V828 S829 N865 L899	A827-G831 PolarHBondContact O-N 3.5Å; A827-G831 VanDerWaalsContact O-N 3.16Å; V828-G831 PolarHBondContact O-N 3.31Å; S829-G831 VanDerWaalsContact C-N 3.32Å; G831-N865 VanDerWaalsContact CA-ND2 3.27Å; G831-N865 WeakPolarHBondContact CA-ND2 3.25Å; G831-L899 WeakPolarHBondContact O-CD1 3.5Å
832	Q	88.2	Confident	82.4	Confident	70 Å²	70	53.2 Å²	53.2	33%	0.327	27%	0.271	S	S	.	.			trans	-84.2	152.8	-176.5	-63.8	178.9	-28.6	0	0	111.9	A827 R830 N865	A827-Q832 HydrophobicContact CB-CB 4.28Å; A827-Q832 PolarHBondContact O-N 3.32Å; R830-Q832 VanDerWaalsContact C-N 3.29Å; R830-Q832 HydrophobicContact CB-CG 4.08Å; R830-Q832 PolarHBondContact O-N 3.06Å; Q832-N865 PolarHBondContact N-ND2 2.76Å; Q832-N865 WeakPolarHBondContact O-CB 3.47Å; Q832-N865 PolarHBondContact O-ND2 2.85Å
833	C	88.2	Confident	81.7	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.273	C	S	.	.			trans	-69.6	135.6	169.6	-177	0	0	0	0	110.1	Y835 K836 L899	C833-Y835 PolarHBondContact O-N 3.02Å; C833-K836 VanDerWaalsContact O-CB 3.29Å; C833-K836 WeakPolarHBondContact O-CB 3.45Å; C833-K836 PolarHBondContact O-N 3.44Å; C833-L899 HydrophobicContact CB-CB 3.76Å; C833-L899 WeakPolarHBondContact CB-O 3.49Å; C833-L899 PolarHBondContact N-O 3.45Å
834	L	85.4	Confident	81.3	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-32.1	179.8	-61.1	-175.5	0	0	0	113	I824 V828 K836 I837 S838 P844 H846 F848 C863	I824-L834 HydrophobicContact CG2-CD2 4.12Å; V828-L834 HydrophobicContact CG2-CD2 3.86Å; L834-K836 PolarHBondContact O-N 3.4Å; L834-K836 VanDerWaalsContact O-N 3.14Å; L834-I837 HydrophobicContact CB-CD1 4.32Å; L834-I837 HydrophobicContact CD2-CD1 3.56Å; L834-I837 WeakPolarHBondContact O-CB 3.24Å; L834-I837 WeakPolarHBondContact O-CG1 3.21Å; L834-I837 PolarHBondContact O-N 3.22Å; L834-S838 PolarHBondContact O-N 3.38Å; L834-S838 PolarHBondContact O-OG 3.44Å; L834-P844 HydrophobicContact CB-CG 4.05Å; L834-P844 HydrophobicContact CD1-CG 4.42Å; L834-H846 HydrophobicContact CD1-CB 3.43Å; L834-H846 VanDerWaalsContact CD1-CB 3.43Å; L834-F848 HydrophobicContact CD1-CE1 4.45Å; L834-F848 HydrophobicContact CD1-CZ 4.03Å; L834-C863 HydrophobicContact CB-CB 4.19Å; L834-C863 HydrophobicContact CD1-CB 3.61Å; L834-C863 HydrophobicContact CG-CB 3.68Å
835	Y	84.1	Confident	81.2	Confident	53 Å²	53	53.3 Å²	53.3	21%	0.208	26%	0.264	C	S	.	.	H	α-helix	trans	-55.6	-29.8	175.1	-172.2	-104.8	0	0	0	112.8	C833 I837 S838 S839 F885 G889 A890	C833-Y835 PolarHBondContact O-N 3.02Å; Y835-I837 VanDerWaalsContact C-N 3.29Å; Y835-I837 PolarHBondContact O-N 2.88Å; Y835-S838 WeakPolarHBondContact CA-OG 3.41Å; Y835-S838 PolarHBondContact O-OG 3.06Å; Y835-S839 WeakPolarHBondContact CE2-O 3.36Å; Y835-S839 VanDerWaalsContact O-CA 3.26Å; Y835-S839 WeakPolarHBondContact O-CA 3.35Å; Y835-S839 PolarHBondContact O-N 3.35Å; Y835-F885 HydrophobicContact CD2-CD1 4.19Å; Y835-F885 HydrophobicContact CE2-CD1 4.4Å; Y835-G889 VanDerWaalsContact CD1-C 3.43Å; Y835-G889 WeakPolarHBondContact CD1-O 3.27Å; Y835-G889 WeakPolarHBondContact CE1-O 3.41Å; Y835-A890 HydrophobicContact CD2-CB 4.07Å; Y835-A890 HydrophobicContact CE2-CB 3.73Å
836	K	82.6	Confident	81.2	Confident	111 Å²	111	47.9 Å²	47.9	48%	0.483	24%	0.238	S	C	.	.	H	α-helix	trans	-69.7	-23.4	177.2	-162.8	-170.1	-175.2	88.5	0	113.4	C833 L834 A900	C833-K836 VanDerWaalsContact O-CB 3.29Å; C833-K836 WeakPolarHBondContact O-CB 3.45Å; C833-K836 PolarHBondContact O-N 3.44Å; L834-K836 PolarHBondContact O-N 3.4Å; L834-K836 VanDerWaalsContact O-N 3.14Å; K836-A900 WeakPolarHBondContact CD-O 3.28Å; K836-A900 VanDerWaalsContact CG-O 3.32Å; K836-A900 WeakPolarHBondContact CG-O 3.48Å; K836-A900 PolarHBondContact NZ-O 2.99Å
837	I	79.6	Confident	81.2	Confident	21 Å²	21	46 Å²	46	11%	0.108	23%	0.232	C	C	.	.	H	α-helix	trans	-91.1	-39	-178.7	-32.7	157.1	0	0	0	110.3	F799 A823 I824 A827 L834 Y835	F799-I837 HydrophobicContact CE1-CG2 4.27Å; A823-I837 HydrophobicContact CB-CG2 4.24Å; I824-I837 HydrophobicContact CD1-CD1 3.81Å; I824-I837 HydrophobicContact CD1-CG2 4.35Å; A827-I837 HydrophobicContact CB-CD1 3.2Å; A827-I837 HydrophobicContact CB-CG1 3.61Å; L834-I837 HydrophobicContact CB-CD1 4.32Å; L834-I837 HydrophobicContact CD2-CD1 3.56Å; L834-I837 WeakPolarHBondContact O-CB 3.24Å; L834-I837 WeakPolarHBondContact O-CG1 3.21Å; L834-I837 PolarHBondContact O-N 3.22Å; Y835-I837 VanDerWaalsContact C-N 3.29Å; Y835-I837 PolarHBondContact O-N 2.88Å
838	S	72.4	Confident	81.1	Confident	4 Å²	4	45.9 Å²	45.9	3%	0.028	23%	0.231	C	C	.	.	H	α-helix	trans	-89.6	-20	-172.3	70.2	0	0	0	0	113.8	L834 Y835 T841 S842	L834-S838 PolarHBondContact O-N 3.38Å; L834-S838 PolarHBondContact O-OG 3.44Å; Y835-S838 WeakPolarHBondContact CA-OG 3.41Å; Y835-S838 PolarHBondContact O-OG 3.06Å; S838-T841 PolarHBondContact O-N 3.05Å; S838-T841 PolarHBondContact O-OG1 2.91Å; S838-S842 VanDerWaalsContact CB-O 3.27Å; S838-S842 WeakPolarHBondContact CB-O 3.25Å; S838-S842 PolarHBondContact O-N 3.19Å
839	S	70.3	Confident	81.2	Confident	42 Å²	42	46.3 Å²	46.3	29%	0.294	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	-149.4	-163	-57.3	0	0	0	0	110.2	Y835 T841 F885	Y835-S839 WeakPolarHBondContact CE2-O 3.36Å; Y835-S839 VanDerWaalsContact O-CA 3.26Å; Y835-S839 WeakPolarHBondContact O-CA 3.35Å; Y835-S839 PolarHBondContact O-N 3.35Å; S839-T841 VanDerWaalsContact C-N 3.34Å; S839-F885 WeakPolarHBondContact O-CE1 3.41Å
840	Y	62.9	Low	81.3	Confident	88 Å²	88	43.6 Å²	43.6	35%	0.345	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	5.6	168.5	59.1	-84	0	0	0	112.9	F885 D906	Y840-F885 VanDerWaalsContact O-CZ 3.31Å; Y840-F885 WeakPolarHBondContact O-CZ 3.41Å; Y840-D906 PolarHBondContact OH-O 3.25Å
841	T	63.1	Low	81.3	Confident	78 Å²	78	35 Å²	35	48%	0.479	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-12.6	-165.9	55.9	0	0	0	0	115	Q753 S838 S839	Q753-T841 PolarHBondContact NE2-O 3.25Å; S838-T841 PolarHBondContact O-N 3.05Å; S838-T841 PolarHBondContact O-OG1 2.91Å; S839-T841 VanDerWaalsContact C-N 3.34Å
842	S	71.6	Confident	81.2	Confident	7 Å²	7	37.9 Å²	37.9	5%	0.049	18%	0.178	C	C	.	.			trans	-144.1	159.3	173.2	-167.8	0	0	0	0	110.7	Q753 S838 F885	Q753-S842 PolarHBondContact OE1-OG 3.48Å; S838-S842 VanDerWaalsContact CB-O 3.27Å; S838-S842 WeakPolarHBondContact CB-O 3.25Å; S838-S842 PolarHBondContact O-N 3.19Å; S842-F885 WeakPolarHBondContact O-CE1 3.12Å
843	Y	75	Confident	81.1	Confident	73 Å²	73	38.7 Å²	38.7	29%	0.286	19%	0.187	S	C	.	.			trans	-113.6	112.1	-177	-62.2	-113.7	0	0	0	109.2	R883 F885	Y843-R883 HydrophobicContact CD1-CG 4.41Å; Y843-R883 HydrophobicContact CG-CG 4.05Å; Y843-F885 AromaticContact CD1-CD2 3.87Å; Y843-F885 HydrophobicContact CD1-CD2 3.87Å; Y843-F885 AromaticContact CD1-CE2 3.82Å; Y843-F885 HydrophobicContact CD1-CE2 3.82Å; Y843-F885 HydrophobicContact CD1-CG 4.34Å; Y843-F885 HydrophobicContact CD1-CZ 4.24Å; Y843-F885 HydrophobicContact CD2-CE2 4.3Å; Y843-F885 HydrophobicContact CD2-CZ 4.1Å; Y843-F885 AromaticContact CE1-CD2 3.54Å; Y843-F885 HydrophobicContact CE1-CD2 3.54Å; Y843-F885 AromaticContact CE1-CE2 3.32Å; Y843-F885 HydrophobicContact CE1-CE2 3.32Å; Y843-F885 HydrophobicContact CE1-CG 4.44Å; Y843-F885 HydrophobicContact CE1-CZ 4.07Å; Y843-F885 AromaticContact CE2-CE2 3.85Å; Y843-F885 HydrophobicContact CE2-CE2 3.85Å; Y843-F885 AromaticContact CE2-CZ 3.91Å; Y843-F885 HydrophobicContact CE2-CZ 3.91Å; Y843-F885 HydrophobicContact CG-CE2 4.28Å; Y843-F885 HydrophobicContact CG-CZ 4.26Å; Y843-F885 AromaticContact CZ-CE2 3.33Å; Y843-F885 AromaticContact CZ-CZ 3.9Å
844	P	79.8	Confident	80.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.198	C	C	.	.			trans	-76.1	134	177.6	30.8	-33.2	0	0	0	110.2	I824 L834 F884	I824-P844 HydrophobicContact CD1-CB 3.61Å; I824-P844 HydrophobicContact CG1-CB 4.28Å; L834-P844 HydrophobicContact CB-CG 4.05Å; L834-P844 HydrophobicContact CD1-CG 4.42Å; P844-F884 WeakPolarHBondContact CD-O 3.24Å
845	M	86.5	Confident	80.6	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.015	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	127.7	167.7	-162.4	-179.1	-59.4	0	0	109.6	E780 T782 F803 A805 D882	E780-M845 HydrophobicContact CG-CE 3.45Å; E780-M845 VanDerWaalsContact CG-CE 3.45Å; T782-M845 HydrophobicContact CG2-CE 3.54Å; F803-M845 HydrophobicContact CB-CB 4.08Å; F803-M845 HydrophobicContact CB-CE 3.82Å; F803-M845 HydrophobicContact CB-SD 3.79Å; F803-M845 HydrophobicContact CD2-CB 3.89Å; F803-M845 HydrophobicContact CG-CB 4.17Å; A805-M845 HydrophobicContact CB-CE 4.42Å; A805-M845 HydrophobicContact CB-SD 4.18Å; A805-M845 PolarHBondContact N-SD 3.31Å; A805-M845 VanDerWaalsContact N-SD 3.39Å; M845-D882 WeakPolarHBondContact CA-O 3.18Å
846	H	86.7	Confident	80.4	Confident	21 Å²	21	44.7 Å²	44.7	10%	0.097	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	170.9	178.5	-162.5	-86	0	0	0	110.8	V828 L834 F848 V864 H881 D882	V828-H846 VanDerWaalsContact CG2-NE2 3.31Å; V828-H846 WeakPolarHBondContact CG2-NE2 3.04Å; L834-H846 HydrophobicContact CD1-CB 3.43Å; L834-H846 VanDerWaalsContact CD1-CB 3.43Å; H846-F848 HydrophobicContact CB-CD2 4.38Å; H846-F848 HydrophobicContact CB-CE2 3.8Å; H846-F848 HydrophobicContact CB-CZ 4.22Å; H846-F848 WeakPolarHBondContact O-CD2 3.31Å; H846-F848 WeakPolarHBondContact O-CE2 3.44Å; H846-F848 PolarHBondContact O-N 3.44Å; H846-V864 WeakPolarHBondContact CE1-CG1 3.25Å; H846-H881 CarbonylContact O-C 3.56Å; H846-H881 VanDerWaalsContact O-CA 3.28Å; H846-H881 WeakPolarHBondContact O-CA 3.48Å; H846-D882 PolarHBondContact N-O 3.03Å; H846-D882 PolarHBondContact O-N 3.29Å
847	D	89.1	Confident	80	Confident	51 Å²	51	42.7 Å²	42.7	27%	0.273	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	122	160.6	-57	-23.7	0	0	0	110.9	Y849 F878 H881	D847-Y849 HydrophobicContact CB-CE2 3.94Å; D847-F878 HydrophobicContact CB-CD2 4.32Å; D847-F878 HydrophobicContact CB-CE2 3.84Å; D847-H881 PolarHBondContact N-ND1 3.14Å; D847-H881 IonicContact OD1-CE1 3.71Å; D847-H881 IonicContact OD1-CG 2.98Å; D847-H881 IonicContact OD1-ND1 3.43Å; D847-H881 PolarHBondContact OD1-ND1 3.19Å
848	F	86.3	Confident	79.4	Confident	1 Å²	1	45.9 Å²	45.9	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	145.4	176.4	-74.7	-81.1	0	0	0	112.5	L834 H846 A861 C863 I879 R880 D882 F884 F885	L834-F848 HydrophobicContact CD1-CE1 4.45Å; L834-F848 HydrophobicContact CD1-CZ 4.03Å; H846-F848 HydrophobicContact CB-CD2 4.38Å; H846-F848 HydrophobicContact CB-CE2 3.8Å; H846-F848 HydrophobicContact CB-CZ 4.22Å; H846-F848 WeakPolarHBondContact O-CD2 3.31Å; H846-F848 WeakPolarHBondContact O-CE2 3.44Å; H846-F848 PolarHBondContact O-N 3.44Å; F848-A861 HydrophobicContact CB-CB 4.02Å; F848-A861 HydrophobicContact CD1-CB 3.66Å; F848-A861 HydrophobicContact CE1-CB 4.4Å; F848-A861 HydrophobicContact CG-CB 3.99Å; F848-C863 HydrophobicContact CD1-CB 4.35Å; F848-C863 HydrophobicContact CE1-CB 3.94Å; F848-I879 PolarHBondContact O-N 3.27Å; F848-R880 PolarHBondContact N-O 3.39Å; F848-D882 WeakPolarHBondContact CD2-O 3.36Å; F848-D882 VanDerWaalsContact CE2-O 3.3Å; F848-D882 WeakPolarHBondContact CE2-O 3.25Å; F848-F884 HydrophobicContact CD1-CB 4.1Å; F848-F884 HydrophobicContact CD2-CB 3.76Å; F848-F884 HydrophobicContact CE1-CB 3.99Å; F848-F884 HydrophobicContact CE2-CB 3.68Å; F848-F884 HydrophobicContact CG-CB 4Å; F848-F884 HydrophobicContact CZ-CB 3.8Å; F848-F884 WeakPolarHBondContact CZ-O 3.42Å; F848-F885 WeakPolarHBondContact CE1-O 3.18Å
849	Y	89.4	Confident	79.2	Confident	41 Å²	41	56.1 Å²	56.1	16%	0.161	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.8	-170	-58.3	-96.4	0	0	0	111.4	D847 I862 V864 I867 E877 F878	D847-Y849 HydrophobicContact CB-CE2 3.94Å; Y849-I862 PolarHBondContact N-O 3.48Å; Y849-I862 WeakPolarHBondContact O-CB 3.5Å; Y849-I862 PolarHBondContact O-N 3.46Å; Y849-V864 HydrophobicContact CE2-CB 3.94Å; Y849-V864 HydrophobicContact CE2-CG2 3.99Å; Y849-I867 HydrophobicContact CD1-CD1 3.76Å; Y849-I867 HydrophobicContact CD2-CD1 3.65Å; Y849-I867 HydrophobicContact CD2-CG1 4.21Å; Y849-I867 HydrophobicContact CD2-CG2 4.38Å; Y849-I867 HydrophobicContact CE1-CD1 3.79Å; Y849-I867 HydrophobicContact CE2-CD1 3.7Å; Y849-I867 HydrophobicContact CE2-CG1 4.44Å; Y849-I867 HydrophobicContact CG-CD1 3.69Å; Y849-I867 HydrophobicContact CG-CG1 4.48Å; Y849-I867 HydrophobicContact CG-CG2 4.17Å; Y849-E877 CarbonylContact C-O 3.57Å; Y849-E877 WeakPolarHBondContact CA-O 3.2Å; Y849-E877 WeakPolarHBondContact CB-O 3.45Å; Y849-F878 HydrophobicContact CD1-CB 3.94Å; Y849-F878 HydrophobicContact CD1-CD2 4.43Å; Y849-F878 HydrophobicContact CE1-CB 3.83Å; Y849-F878 AromaticContact CE1-CD2 3.96Å; Y849-F878 HydrophobicContact CE1-CD2 3.96Å; Y849-F878 HydrophobicContact CE1-CG 4.4Å
850	R	88.9	Confident	79.6	Confident	42 Å²	42	55.9 Å²	55.9	16%	0.158	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	148	164.7	-169.7	-173.1	-78.2	169.1	-16.2	108.1	H852 T856 D858 V876 E877 I879	R850-H852 WeakPolarHBondContact CD-NE2 3.31Å; R850-H852 PolarHBondContact NH1-NE2 3.06Å; R850-T856 VanDerWaalsContact CG-O 3.25Å; R850-T856 WeakPolarHBondContact CG-O 3.29Å; R850-T856 VanDerWaalsContact CG-OG1 3.25Å; R850-T856 WeakPolarHBondContact CG-OG1 3.29Å; R850-D858 IonicContact CZ-OD1 2.69Å; R850-D858 IonicContact NH2-OD1 2.74Å; R850-D858 PolarHBondContact NH2-OD1 3.25Å; R850-D858 IonicContact NH2-OD2 3.39Å; R850-D858 PolarHBondContact NH2-OD2 2.78Å; R850-V876 CarbonylContact O-C 3.59Å; R850-V876 WeakPolarHBondContact O-CA 3.29Å; R850-V876 WeakPolarHBondContact O-CB 3.4Å; R850-E877 HydrophobicContact CB-CB 4.31Å; R850-E877 WeakPolarHBondContact CD-OE2 3.36Å; R850-E877 IonicContact CZ-OE2 3.25Å; R850-E877 PolarHBondContact N-O 3.38Å; R850-E877 IonicContact NE-OE2 3.31Å; R850-E877 IonicContact NH1-OE2 2.66Å; R850-E877 PolarHBondContact NH1-OE2 3.03Å; R850-E877 PolarHBondContact O-N 2.92Å; R850-I879 HydrophobicContact CB-CD1 3.85Å; R850-I879 HydrophobicContact CB-CG1 3.81Å
851	C	89.4	Confident	80.4	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	107.4	166.6	-179	0	0	0	0	109.8	T853 C854 N855 T856 I862 H874 D875 V876	C851-T853 VanDerWaalsContact C-N 3.32Å; C851-T853 PolarHBondContact O-N 3.5Å; C851-C854 HydrophobicContact CB-CB 4.08Å; C851-C854 CarbonylContact O-C 3.57Å; C851-C854 PolarHBondContact O-N 3.19Å; C851-C854 VanDerWaalsContact O-N 3.14Å; C851-C854 PolarHBondContact SG-N 2.96Å; C851-N855 PolarHBondContact O-N 2.81Å; C851-N855 VanDerWaalsContact O-N 3.16Å; C851-T856 PolarHBondContact N-OG1 3.39Å; C851-T856 PolarHBondContact O-N 2.87Å; C851-T856 PolarHBondContact O-OG1 3.34Å; C851-I862 HydrophobicContact CB-CD1 3.44Å; C851-I862 VanDerWaalsContact CB-CD1 3.44Å; C851-H874 VanDerWaalsContact SG-CB 3.51Å; C851-H874 PolarHBondContact SG-ND1 3.17Å; C851-H874 VanDerWaalsContact SG-ND1 3.44Å; C851-D875 CarbonylContact C-O 3.52Å; C851-D875 WeakPolarHBondContact CA-O 3.45Å; C851-D875 PolarHBondContact SG-O 3.13Å; C851-D875 VanDerWaalsContact SG-O 3.39Å; C851-V876 HydrophobicContact CB-CG1 3.9Å
852	H	85.3	Confident	81.6	Confident	90 Å²	90	48.1 Å²	48.1	42%	0.417	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-64.4	-38.1	179.1	-61.2	-65.8	0	0	0	111.4	R850 C854 N855 D875 E877	R850-H852 WeakPolarHBondContact CD-NE2 3.31Å; R850-H852 PolarHBondContact NH1-NE2 3.06Å; H852-C854 PolarHBondContact O-N 3.19Å; H852-N855 PolarHBondContact O-N 3.19Å; H852-D875 HydrophobicContact CB-CB 4.33Å; H852-D875 IonicContact CD2-OD1 3.96Å; H852-D875 IonicContact CD2-OD2 3.32Å; H852-D875 PolarHBondContact CD2-OD2 3.49Å; H852-D875 IonicContact CG-OD2 3.72Å; H852-D875 PolarHBondContact N-O 2.96Å; H852-E877 IonicContact NE2-OE2 2.77Å; H852-E877 PolarHBondContact NE2-OE2 2.77Å
853	T	85.9	Confident	82.5	Confident	87 Å²	87	47.8 Å²	47.8	53%	0.534	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-60.3	-26.1	174.9	-45.5	0	0	0	0	113.2	C851 H874 D875	C851-T853 VanDerWaalsContact C-N 3.32Å; C851-T853 PolarHBondContact O-N 3.5Å; T853-H874 HydrophobicContact CG2-CB 4.37Å; T853-D875 PolarHBondContact OG1-N 3.21Å
854	C	83.2	Confident	83.2	Confident	32 Å²	32	44.8 Å²	44.8	22%	0.216	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-103	9.5	175.8	-66.7	0	0	0	0	113.6	C851 H852 T856 H871 H874	C851-C854 HydrophobicContact CB-CB 4.08Å; C851-C854 CarbonylContact O-C 3.57Å; C851-C854 PolarHBondContact O-N 3.19Å; C851-C854 VanDerWaalsContact O-N 3.14Å; C851-C854 PolarHBondContact SG-N 2.96Å; H852-C854 PolarHBondContact O-N 3.19Å; C854-T856 HydrophobicContact CB-CG2 4.35Å; C854-T856 PolarHBondContact O-N 3Å; C854-H871 PolarHBondContact SG-ND1 3.44Å; C854-H874 PolarHBondContact SG-CE1 2.87Å; C854-H874 PolarHBondContact SG-ND1 3.39Å
855	N	79.8	Confident	83.7	Confident	140 Å²	140	45.2 Å²	45.2	75%	0.749	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	36.2	178.8	-162.6	41.5	0	0	0	114.8	C851 H852	C851-N855 PolarHBondContact O-N 2.81Å; C851-N855 VanDerWaalsContact O-N 3.16Å; H852-N855 PolarHBondContact O-N 3.19Å
856	T	80	Confident	83.8	Confident	7 Å²	7	45 Å²	45	4%	0.043	22%	0.224	C	C	.	.			trans	-73	137.2	176.4	57.4	0	0	0	0	111.2	R850 C851 C854 N860 I862 L893	R850-T856 VanDerWaalsContact CG-O 3.25Å; R850-T856 WeakPolarHBondContact CG-O 3.29Å; R850-T856 VanDerWaalsContact CG-OG1 3.25Å; R850-T856 WeakPolarHBondContact CG-OG1 3.29Å; C851-T856 PolarHBondContact N-OG1 3.39Å; C851-T856 PolarHBondContact O-N 2.87Å; C851-T856 PolarHBondContact O-OG1 3.34Å; C854-T856 HydrophobicContact CB-CG2 4.35Å; C854-T856 PolarHBondContact O-N 3Å; T856-N860 HydrophobicContact CG2-CB 4.22Å; T856-I862 HydrophobicContact CG2-CD1 3.89Å; T856-I862 HydrophobicContact CG2-CG1 4.46Å; T856-L893 HydrophobicContact CG2-CD1 4.27Å; T856-L893 HydrophobicContact CG2-CD2 3.78Å
857	T	74.8	Confident	84	Confident	69 Å²	69	45.2 Å²	45.2	42%	0.423	23%	0.225	S	C	.	.			trans	-91.2	179.5	177.8	75.9	0	0	0	0	112.4	R859 N860	T857-R859 PolarHBondContact O-N 2.85Å; T857-R859 PolarHBondContact OG1-N 2.92Å; T857-R859 VanDerWaalsContact OG1-N 3.13Å; T857-N860 PolarHBondContact O-N 2.93Å; T857-N860 PolarHBondContact OG1-OD1 3.19Å
858	D	67.8	Low	84	Confident	88 Å²	88	48.4 Å²	48.4	47%	0.471	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-11.7	169.4	-70.3	-54.1	0	0	0	115.2	R850	R850-D858 IonicContact CZ-OD1 2.69Å; R850-D858 IonicContact NH2-OD1 2.74Å; R850-D858 PolarHBondContact NH2-OD1 3.25Å; R850-D858 IonicContact NH2-OD2 3.39Å; R850-D858 PolarHBondContact NH2-OD2 2.78Å
859	R	67.9	Low	84.1	Confident	218 Å²	218	54.7 Å²	54.7	82%	0.823	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-13.4	173.5	-57.9	-173.9	178.8	-155.8	-0.6	113.2	T857	T857-R859 PolarHBondContact O-N 2.85Å; T857-R859 PolarHBondContact OG1-N 2.92Å; T857-R859 VanDerWaalsContact OG1-N 3.13Å
860	N	77.4	Confident	84	Confident	38 Å²	38	54.1 Å²	54.1	20%	0.203	27%	0.266	C	S	.	.			trans	-116.4	112.5	-171.9	-60.6	88.1	0	0	0	110.2	T856 T857 D887	T856-N860 HydrophobicContact CG2-CB 4.22Å; T857-N860 PolarHBondContact O-N 2.93Å; T857-N860 PolarHBondContact OG1-OD1 3.19Å; N860-D887 VanDerWaalsContact CA-OD2 3.31Å; N860-D887 WeakPolarHBondContact CA-OD2 3.44Å; N860-D887 HydrophobicContact CB-CB 4.44Å; N860-D887 PolarHBondContact ND2-OD1 2.92Å
861	A	81.4	Confident	83.9	Confident	2 Å²	2	52.5 Å²	52.5	2%	0.017	26%	0.26	C	S	.	.			trans	-115.4	125.6	-167.9	0	0	0	0	0	112.2	F848 F884 C886 D887	F848-A861 HydrophobicContact CB-CB 4.02Å; F848-A861 HydrophobicContact CD1-CB 3.66Å; F848-A861 HydrophobicContact CE1-CB 4.4Å; F848-A861 HydrophobicContact CG-CB 3.99Å; A861-F884 HydrophobicContact CB-CB 3.73Å; A861-F884 HydrophobicContact CB-CD1 3.62Å; A861-F884 HydrophobicContact CB-CG 3.77Å; A861-C886 CarbonylContact O-C 3.59Å; A861-C886 WeakPolarHBondContact O-CA 3.46Å; A861-D887 PolarHBondContact N-OD2 2.73Å; A861-D887 PolarHBondContact O-N 3.21Å
862	I	88	Confident	83.9	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.9	178.3	-56.8	163.6	0	0	0	109.3	Y849 C851 T856 C866 I867 C888 L893	Y849-I862 PolarHBondContact N-O 3.48Å; Y849-I862 WeakPolarHBondContact O-CB 3.5Å; Y849-I862 PolarHBondContact O-N 3.46Å; C851-I862 HydrophobicContact CB-CD1 3.44Å; C851-I862 VanDerWaalsContact CB-CD1 3.44Å; T856-I862 HydrophobicContact CG2-CD1 3.89Å; T856-I862 HydrophobicContact CG2-CG1 4.46Å; I862-C866 HydrophobicContact CG2-CB 3.45Å; I862-C866 VanDerWaalsContact CG2-CB 3.45Å; I862-I867 HydrophobicContact CB-CG2 4.16Å; I862-I867 HydrophobicContact CG2-CG2 3.63Å; I862-C888 HydrophobicContact CG2-CB 4.44Å; I862-L893 HydrophobicContact CD1-CD1 4.12Å; I862-L893 HydrophobicContact CG1-CD1 4.12Å
863	C	89.2	Confident	83.9	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	159.1	178.5	77.6	0	0	0	0	112.9	L834 F848 N865 C866 I867 C886	L834-C863 HydrophobicContact CB-CB 4.19Å; L834-C863 HydrophobicContact CD1-CB 3.61Å; L834-C863 HydrophobicContact CG-CB 3.68Å; F848-C863 HydrophobicContact CD1-CB 4.35Å; F848-C863 HydrophobicContact CE1-CB 3.94Å; C863-N865 PolarHBondContact O-N 2.84Å; C863-C866 PolarHBondContact O-N 2.9Å; C863-C866 VanDerWaalsContact SG-SG 3.62Å; C863-I867 PolarHBondContact O-N 3.15Å; C863-C886 HydrophobicContact CB-CB 3.96Å; C863-C886 PolarHBondContact N-SG 3.32Å
864	V	90.6	Very high	84.2	Confident	10 Å²	10	57.7 Å²	57.7	6%	0.061	30%	0.3	C	S	.	.	H	α-helix	trans	-51.3	-29	-176.6	76.8	0	0	0	0	115.3	V828 H846 Y849 I867 K868	V828-V864 HydrophobicContact CG1-CG1 3.89Å; V828-V864 HydrophobicContact CG2-CG1 4.33Å; H846-V864 WeakPolarHBondContact CE1-CG1 3.25Å; Y849-V864 HydrophobicContact CE2-CB 3.94Å; Y849-V864 HydrophobicContact CE2-CG2 3.99Å; V864-I867 WeakPolarHBondContact O-CG1 3.29Å; V864-K868 VanDerWaalsContact O-CD 3.28Å; V864-K868 WeakPolarHBondContact O-CD 3.26Å; V864-K868 VanDerWaalsContact O-CG 3.24Å; V864-K868 WeakPolarHBondContact O-CG 3.29Å
865	N	90.8	Very high	84.4	Confident	9 Å²	9	60.8 Å²	60.8	5%	0.048	32%	0.315	C	S	.	.	H	α-helix	trans	-86.6	-31.7	179.8	-76.2	-17.2	0	0	0	112.9	A827 V828 G831 Q832 C863 K868 K869 L899	A827-N865 PolarHBondContact O-ND2 3.44Å; V828-N865 WeakPolarHBondContact CA-ND2 3.49Å; V828-N865 PolarHBondContact O-ND2 2.88Å; V828-N865 PolarHBondContact O-OD1 3.42Å; G831-N865 VanDerWaalsContact CA-ND2 3.27Å; G831-N865 WeakPolarHBondContact CA-ND2 3.25Å; Q832-N865 PolarHBondContact N-ND2 2.76Å; Q832-N865 WeakPolarHBondContact O-CB 3.47Å; Q832-N865 PolarHBondContact O-ND2 2.85Å; C863-N865 PolarHBondContact O-N 2.84Å; N865-K868 PolarHBondContact O-N 3.21Å; N865-K869 PolarHBondContact O-N 2.84Å; N865-L899 HydrophobicContact CB-CD1 3.99Å; N865-L899 VanDerWaalsContact O-CD1 3.29Å; N865-L899 WeakPolarHBondContact O-CD1 3.45Å
866	C	88.7	Confident	84.9	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-68.7	-37.4	174.2	-68.6	0	0	0	0	111.3	I862 C863 K868 K869 C870 H871 C886 C888 C897	I862-C866 HydrophobicContact CG2-CB 3.45Å; I862-C866 VanDerWaalsContact CG2-CB 3.45Å; C863-C866 PolarHBondContact O-N 2.9Å; C863-C866 VanDerWaalsContact SG-SG 3.62Å; C866-K868 VanDerWaalsContact C-N 3.28Å; C866-K868 PolarHBondContact O-N 3.1Å; C866-K869 PolarHBondContact O-N 3.39Å; C866-C870 WeakPolarHBondContact O-CA 3.43Å; C866-C870 WeakPolarHBondContact O-CB 3.4Å; C866-C870 PolarHBondContact O-N 2.93Å; C866-H871 PolarHBondContact O-N 2.91Å; C866-C886 VanDerWaalsContact SG-SG 3.6Å; C866-C888 HydrophobicContact CB-CB 4.1Å; C866-C897 VanDerWaalsContact SG-SG 3.63Å
867	I	90.1	Very high	85.4	Confident	25 Å²	25	60.1 Å²	60.1	13%	0.128	31%	0.31	C	S	.	.	H	α-helix	trans	-64.7	-32.1	172.2	61.1	160.5	0	0	0	112.9	Y849 I862 C863 V864 K869 H871 Q872 V876	Y849-I867 HydrophobicContact CD1-CD1 3.76Å; Y849-I867 HydrophobicContact CD2-CD1 3.65Å; Y849-I867 HydrophobicContact CD2-CG1 4.21Å; Y849-I867 HydrophobicContact CD2-CG2 4.38Å; Y849-I867 HydrophobicContact CE1-CD1 3.79Å; Y849-I867 HydrophobicContact CE2-CD1 3.7Å; Y849-I867 HydrophobicContact CE2-CG1 4.44Å; Y849-I867 HydrophobicContact CG-CD1 3.69Å; Y849-I867 HydrophobicContact CG-CG1 4.48Å; Y849-I867 HydrophobicContact CG-CG2 4.17Å; I862-I867 HydrophobicContact CB-CG2 4.16Å; I862-I867 HydrophobicContact CG2-CG2 3.63Å; C863-I867 PolarHBondContact O-N 3.15Å; V864-I867 WeakPolarHBondContact O-CG1 3.29Å; I867-K869 VanDerWaalsContact C-N 3.26Å; I867-K869 PolarHBondContact O-N 3.44Å; I867-H871 CarbonylContact O-C 3.55Å; I867-Q872 PolarHBondContact O-N 3.37Å; I867-V876 HydrophobicContact CG2-CG1 4.04Å
868	K	88.6	Confident	86.1	Confident	118 Å²	118	61.6 Å²	61.6	51%	0.513	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-6.1	177.9	-71.5	169.8	-173.6	169.2	0	114.2	V864 N865 C866	V864-K868 VanDerWaalsContact O-CD 3.28Å; V864-K868 WeakPolarHBondContact O-CD 3.26Å; V864-K868 VanDerWaalsContact O-CG 3.24Å; V864-K868 WeakPolarHBondContact O-CG 3.29Å; N865-K868 PolarHBondContact O-N 3.21Å; C866-K868 VanDerWaalsContact C-N 3.28Å; C866-K868 PolarHBondContact O-N 3.1Å
869	K	88.9	Confident	87	Confident	133 Å²	133	59.4 Å²	59.4	58%	0.578	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.9	-62.6	-174	-69.7	-65	-175.9	-176.5	0	113.8	N865 C866 I867 L899	N865-K869 PolarHBondContact O-N 2.84Å; C866-K869 PolarHBondContact O-N 3.39Å; I867-K869 VanDerWaalsContact C-N 3.26Å; I867-K869 PolarHBondContact O-N 3.44Å; K869-L899 HydrophobicContact CB-CD1 3.83Å; K869-L899 HydrophobicContact CB-CD2 4.39Å; K869-L899 HydrophobicContact CB-CG 4.18Å; K869-L899 HydrophobicContact CG-CD1 3.96Å; K869-L899 HydrophobicContact CG-CD2 4.2Å; K869-L899 HydrophobicContact CG-CG 4.42Å
870	C	87	Confident	87.8	Confident	29 Å²	29	52.5 Å²	52.5	20%	0.196	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-29.8	-177.3	-53.1	0	0	0	0	112.9	C866	C866-C870 WeakPolarHBondContact O-CA 3.43Å; C866-C870 WeakPolarHBondContact O-CB 3.4Å; C866-C870 PolarHBondContact O-N 2.93Å
871	H	87.3	Confident	88.3	Confident	8 Å²	8	53 Å²	53	4%	0.037	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	29.5	178.2	-48.1	-96	0	0	0	111.4	C854 C866 I867 G873 H874	C854-H871 PolarHBondContact SG-ND1 3.44Å; C866-H871 PolarHBondContact O-N 2.91Å; I867-H871 CarbonylContact O-C 3.55Å; H871-G873 PolarHBondContact O-N 2.85Å; H871-H874 HydrophobicContact CB-CB 4.06Å; H871-H874 AromaticContact ND1-ND1 3.74Å; H871-H874 WeakPolarHBondContact O-CB 3.21Å; H871-H874 PolarHBondContact O-N 2.65Å
872	Q	88.9	Confident	88.5	Confident	142 Å²	142	53.5 Å²	53.5	66%	0.664	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	118.3	-178.6	-177.4	-179.7	-16.5	0	0	110.2	I867	I867-Q872 PolarHBondContact O-N 3.37Å
873	G	86.7	Confident	88.4	Confident	84 Å²	84	55.9 Å²	55.9	87%	0.866	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	6.5	-177.1	0	0	0	0	0	114.8	H871	H871-G873 PolarHBondContact O-N 2.85Å
874	H	90.7	Very high	87.9	Confident	59 Å²	59	57.8 Å²	57.8	27%	0.273	29%	0.293	S	S	.	.	S	Bend	trans	-81.5	161.1	167.9	-67.3	-156.7	0	0	0	110.9	C851 T853 C854 H871 V876	C851-H874 VanDerWaalsContact SG-CB 3.51Å; C851-H874 PolarHBondContact SG-ND1 3.17Å; C851-H874 VanDerWaalsContact SG-ND1 3.44Å; T853-H874 HydrophobicContact CG2-CB 4.37Å; C854-H874 PolarHBondContact SG-CE1 2.87Å; C854-H874 PolarHBondContact SG-ND1 3.39Å; H871-H874 HydrophobicContact CB-CB 4.06Å; H871-H874 AromaticContact ND1-ND1 3.74Å; H871-H874 WeakPolarHBondContact O-CB 3.21Å; H871-H874 PolarHBondContact O-N 2.65Å; H874-V876 HydrophobicContact CB-CG1 4.4Å
875	D	88.5	Confident	87.5	Confident	97 Å²	97	59.3 Å²	59.3	52%	0.519	30%	0.3	S	S	.	.			trans	-72.8	123.6	167	-175.1	22.4	0	0	0	110	C851 H852 T853	C851-D875 CarbonylContact C-O 3.52Å; C851-D875 WeakPolarHBondContact CA-O 3.45Å; C851-D875 PolarHBondContact SG-O 3.13Å; C851-D875 VanDerWaalsContact SG-O 3.39Å; H852-D875 HydrophobicContact CB-CB 4.33Å; H852-D875 IonicContact CD2-OD1 3.96Å; H852-D875 IonicContact CD2-OD2 3.32Å; H852-D875 PolarHBondContact CD2-OD2 3.49Å; H852-D875 IonicContact CG-OD2 3.72Å; H852-D875 PolarHBondContact N-O 2.96Å; T853-D875 PolarHBondContact OG1-N 3.21Å
876	V	89.6	Confident	87.3	Confident	53 Å²	53	58.9 Å²	58.9	32%	0.321	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	136.7	-172.6	-66.2	0	0	0	0	112.3	R850 C851 I867 H874	R850-V876 CarbonylContact O-C 3.59Å; R850-V876 WeakPolarHBondContact O-CA 3.29Å; R850-V876 WeakPolarHBondContact O-CB 3.4Å; C851-V876 HydrophobicContact CB-CG1 3.9Å; I867-V876 HydrophobicContact CG2-CG1 4.04Å; H874-V876 HydrophobicContact CB-CG1 4.4Å
877	E	90.4	Very high	87	Confident	81 Å²	81	59.8 Å²	59.8	38%	0.379	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.9	-176.6	172.1	-175.6	-139.9	0	0	109.1	Y849 R850 H852 I879	Y849-E877 CarbonylContact C-O 3.57Å; Y849-E877 WeakPolarHBondContact CA-O 3.2Å; Y849-E877 WeakPolarHBondContact CB-O 3.45Å; R850-E877 HydrophobicContact CB-CB 4.31Å; R850-E877 WeakPolarHBondContact CD-OE2 3.36Å; R850-E877 IonicContact CZ-OE2 3.25Å; R850-E877 PolarHBondContact N-O 3.38Å; R850-E877 IonicContact NE-OE2 3.31Å; R850-E877 IonicContact NH1-OE2 2.66Å; R850-E877 PolarHBondContact NH1-OE2 3.03Å; R850-E877 PolarHBondContact O-N 2.92Å; H852-E877 IonicContact NE2-OE2 2.77Å; H852-E877 PolarHBondContact NE2-OE2 2.77Å; E877-I879 PolarHBondContact O-N 2.85Å
878	F	89.8	Confident	86.8	Confident	99 Å²	99	58.7 Å²	58.7	43%	0.434	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	122.4	170.7	169.8	-94.8	0	0	0	109.3	D847 Y849	D847-F878 HydrophobicContact CB-CD2 4.32Å; D847-F878 HydrophobicContact CB-CE2 3.84Å; Y849-F878 HydrophobicContact CD1-CB 3.94Å; Y849-F878 HydrophobicContact CD1-CD2 4.43Å; Y849-F878 HydrophobicContact CE1-CB 3.83Å; Y849-F878 AromaticContact CE1-CD2 3.96Å; Y849-F878 HydrophobicContact CE1-CD2 3.96Å; Y849-F878 HydrophobicContact CE1-CG 4.4Å
879	I	85.9	Confident	86.4	Confident	43 Å²	43	53.6 Å²	53.6	22%	0.221	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-57.2	179.2	-44.6	175.5	0	0	0	109.6	F848 R850 E877	F848-I879 PolarHBondContact O-N 3.27Å; R850-I879 HydrophobicContact CB-CD1 3.85Å; R850-I879 HydrophobicContact CB-CG1 3.81Å; E877-I879 PolarHBondContact O-N 2.85Å
880	R	85.9	Confident	86	Confident	73 Å²	73	49.2 Å²	49.2	28%	0.275	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	159.6	-172.1	49.1	-171.4	158.8	164	-18.5	111.9	F848 D882 F884	F848-R880 PolarHBondContact N-O 3.39Å; R880-D882 HydrophobicContact CB-CB 4.28Å; R880-D882 WeakPolarHBondContact CD-OD2 3.38Å; R880-D882 HydrophobicContact CG-CB 3.75Å; R880-D882 IonicContact CZ-OD2 3.67Å; R880-D882 IonicContact NE-OD2 2.74Å; R880-D882 IonicContact NH1-OD2 2.7Å; R880-D882 PolarHBondContact NH1-OD2 3.07Å; R880-F884 VanDerWaalsContact CZ-CE2 3.44Å; R880-F884 VanDerWaalsContact CZ-CZ 3.48Å; R880-F884 VanDerWaalsContact NH2-CZ 3.32Å
881	H	88.1	Confident	85.6	Confident	49 Å²	49	50.3 Å²	50.3	23%	0.227	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	108.1	158.7	-167.9	98.3	0	0	0	107.8	L804 A805 S806 H846 D847	L804-H881 PolarHBondContact O-CD2 3.16Å; A805-H881 CarbonylContact C-O 3.5Å; A805-H881 WeakPolarHBondContact CA-O 3.18Å; A805-H881 WeakPolarHBondContact CB-O 3.49Å; S806-H881 PolarHBondContact N-O 3.04Å; S806-H881 WeakPolarHBondContact OG-CB 3.43Å; S806-H881 PolarHBondContact OG-N 2.88Å; H846-H881 CarbonylContact O-C 3.56Å; H846-H881 VanDerWaalsContact O-CA 3.28Å; H846-H881 WeakPolarHBondContact O-CA 3.48Å; D847-H881 PolarHBondContact N-ND1 3.14Å; D847-H881 IonicContact OD1-CE1 3.71Å; D847-H881 IonicContact OD1-CG 2.98Å; D847-H881 IonicContact OD1-ND1 3.43Å; D847-H881 PolarHBondContact OD1-ND1 3.19Å
882	D	85.4	Confident	85.1	Confident	12 Å²	12	53.9 Å²	53.9	6%	0.064	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	175.3	-171.5	-156.5	-1	0	0	0	112.4	M845 H846 F848 R880 F884	M845-D882 WeakPolarHBondContact CA-O 3.18Å; H846-D882 PolarHBondContact N-O 3.03Å; H846-D882 PolarHBondContact O-N 3.29Å; F848-D882 WeakPolarHBondContact CD2-O 3.36Å; F848-D882 VanDerWaalsContact CE2-O 3.3Å; F848-D882 WeakPolarHBondContact CE2-O 3.25Å; R880-D882 HydrophobicContact CB-CB 4.28Å; R880-D882 WeakPolarHBondContact CD-OD2 3.38Å; R880-D882 HydrophobicContact CG-CB 3.75Å; R880-D882 IonicContact CZ-OD2 3.67Å; R880-D882 IonicContact NE-OD2 2.74Å; R880-D882 IonicContact NH1-OD2 2.7Å; R880-D882 PolarHBondContact NH1-OD2 3.07Å; D882-F884 HydrophobicContact CB-CD2 4.02Å; D882-F884 HydrophobicContact CB-CE2 4.02Å; D882-F884 PolarHBondContact O-N 3.24Å
883	R	84.3	Confident	84.6	Confident	50 Å²	50	48.3 Å²	48.3	19%	0.189	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	94.2	-176.9	-178	-170.4	-179.7	84.4	3.9	112	E780 T782 Y843	E780-R883 VanDerWaalsContact OE1-CD 3.26Å; E780-R883 WeakPolarHBondContact OE1-CD 3.28Å; E780-R883 IonicContact OE1-CZ 3.73Å; E780-R883 IonicContact OE1-NE 2.73Å; E780-R883 IonicContact OE1-NH1 3.57Å; E780-R883 PolarHBondContact OE1-NH1 2.78Å; E780-R883 IonicContact OE2-NH1 2.76Å; E780-R883 PolarHBondContact OE2-NH1 3.48Å; T782-R883 HydrophobicContact CG2-CB 4.37Å; Y843-R883 HydrophobicContact CD1-CG 4.41Å; Y843-R883 HydrophobicContact CG-CG 4.05Å
884	F	79.9	Confident	83.7	Confident	39 Å²	39	49.7 Å²	49.7	17%	0.171	28%	0.276	C	S	.	.			trans	-137.6	155.4	-179.9	-81.5	-93	0	0	0	113.8	P844 F848 A861 R880 D882	P844-F884 WeakPolarHBondContact CD-O 3.24Å; F848-F884 HydrophobicContact CD1-CB 4.1Å; F848-F884 HydrophobicContact CD2-CB 3.76Å; F848-F884 HydrophobicContact CE1-CB 3.99Å; F848-F884 HydrophobicContact CE2-CB 3.68Å; F848-F884 HydrophobicContact CG-CB 4Å; F848-F884 HydrophobicContact CZ-CB 3.8Å; F848-F884 WeakPolarHBondContact CZ-O 3.42Å; A861-F884 HydrophobicContact CB-CB 3.73Å; A861-F884 HydrophobicContact CB-CD1 3.62Å; A861-F884 HydrophobicContact CB-CG 3.77Å; R880-F884 VanDerWaalsContact CZ-CE2 3.44Å; R880-F884 VanDerWaalsContact CZ-CZ 3.48Å; R880-F884 VanDerWaalsContact NH2-CZ 3.32Å; D882-F884 HydrophobicContact CB-CD2 4.02Å; D882-F884 HydrophobicContact CB-CE2 4.02Å; D882-F884 PolarHBondContact O-N 3.24Å
885	F	81.3	Confident	82.8	Confident	43 Å²	43	51.5 Å²	51.5	19%	0.189	29%	0.288	C	S	.	.			trans	-75.3	163.9	159.2	-71.4	-63.5	0	0	0	110.4	Y835 S839 Y840 S842 Y843 F848	Y835-F885 HydrophobicContact CD2-CD1 4.19Å; Y835-F885 HydrophobicContact CE2-CD1 4.4Å; S839-F885 WeakPolarHBondContact O-CE1 3.41Å; Y840-F885 VanDerWaalsContact O-CZ 3.31Å; Y840-F885 WeakPolarHBondContact O-CZ 3.41Å; S842-F885 WeakPolarHBondContact O-CE1 3.12Å; Y843-F885 AromaticContact CD1-CD2 3.87Å; Y843-F885 HydrophobicContact CD1-CD2 3.87Å; Y843-F885 AromaticContact CD1-CE2 3.82Å; Y843-F885 HydrophobicContact CD1-CE2 3.82Å; Y843-F885 HydrophobicContact CD1-CG 4.34Å; Y843-F885 HydrophobicContact CD1-CZ 4.24Å; Y843-F885 HydrophobicContact CD2-CE2 4.3Å; Y843-F885 HydrophobicContact CD2-CZ 4.1Å; Y843-F885 AromaticContact CE1-CD2 3.54Å; Y843-F885 HydrophobicContact CE1-CD2 3.54Å; Y843-F885 AromaticContact CE1-CE2 3.32Å; Y843-F885 HydrophobicContact CE1-CE2 3.32Å; Y843-F885 HydrophobicContact CE1-CG 4.44Å; Y843-F885 HydrophobicContact CE1-CZ 4.07Å; Y843-F885 AromaticContact CE2-CE2 3.85Å; Y843-F885 HydrophobicContact CE2-CE2 3.85Å; Y843-F885 AromaticContact CE2-CZ 3.91Å; Y843-F885 HydrophobicContact CE2-CZ 3.91Å; Y843-F885 HydrophobicContact CG-CE2 4.28Å; Y843-F885 HydrophobicContact CG-CZ 4.26Å; Y843-F885 AromaticContact CZ-CE2 3.33Å; Y843-F885 AromaticContact CZ-CZ 3.9Å; F848-F885 WeakPolarHBondContact CE1-O 3.18Å
886	C	86.3	Confident	82.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.298	C	S	.	.			trans	-93.7	101.7	165.8	-174.8	0	0	0	0	110.4	A861 C863 C866 C888 G889 A890	A861-C886 CarbonylContact O-C 3.59Å; A861-C886 WeakPolarHBondContact O-CA 3.46Å; C863-C886 HydrophobicContact CB-CB 3.96Å; C863-C886 PolarHBondContact N-SG 3.32Å; C866-C886 VanDerWaalsContact SG-SG 3.6Å; C886-C888 VanDerWaalsContact C-N 3.29Å; C886-C888 PolarHBondContact O-N 2.94Å; C886-G889 WeakPolarHBondContact O-CA 3.28Å; C886-G889 PolarHBondContact O-N 3.47Å; C886-A890 PolarHBondContact O-N 3.03Å
887	D	83.9	Confident	81.7	Confident	18 Å²	18	50.6 Å²	50.6	10%	0.096	29%	0.289	C	S	.	.	H	α-helix	trans	-49.8	-43.8	179.8	-87.7	-102.7	0	0	0	114.1	N860 A861 G889 A890 G891 T892 L893	N860-D887 VanDerWaalsContact CA-OD2 3.31Å; N860-D887 WeakPolarHBondContact CA-OD2 3.44Å; N860-D887 HydrophobicContact CB-CB 4.44Å; N860-D887 PolarHBondContact ND2-OD1 2.92Å; A861-D887 PolarHBondContact N-OD2 2.73Å; A861-D887 PolarHBondContact O-N 3.21Å; D887-G889 VanDerWaalsContact C-N 3.28Å; D887-G889 PolarHBondContact O-N 2.94Å; D887-A890 CarbonylContact O-C 3.51Å; D887-A890 PolarHBondContact O-N 3.46Å; D887-A890 VanDerWaalsContact O-N 3.12Å; D887-G891 PolarHBondContact O-N 3.14Å; D887-G891 VanDerWaalsContact O-N 3.1Å; D887-T892 WeakPolarHBondContact CA-OG1 3.48Å; D887-T892 WeakPolarHBondContact CB-OG1 3.36Å; D887-T892 VanDerWaalsContact CG-OG1 3.29Å; D887-T892 PolarHBondContact O-N 2.98Å; D887-T892 PolarHBondContact O-OG1 3.47Å; D887-T892 VanDerWaalsContact O-OG1 3.08Å; D887-T892 PolarHBondContact OD1-OG1 3.16Å; D887-L893 HydrophobicContact CB-CD2 4.4Å; D887-L893 HydrophobicContact CB-CG 4.39Å
888	C	84.4	Confident	81.3	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.014	30%	0.304	C	S	.	.	H	α-helix	trans	-51.8	-48.7	172.9	176.3	0	0	0	0	111.2	I862 C866 C886 G891 L893 C897	I862-C888 HydrophobicContact CG2-CB 4.44Å; C866-C888 HydrophobicContact CB-CB 4.1Å; C886-C888 VanDerWaalsContact C-N 3.29Å; C886-C888 PolarHBondContact O-N 2.94Å; C888-G891 PolarHBondContact O-N 2.81Å; C888-L893 HydrophobicContact CB-CD1 3.85Å; C888-C897 VanDerWaalsContact O-CB 3.26Å; C888-C897 WeakPolarHBondContact O-CB 3.42Å; C888-C897 VanDerWaalsContact SG-SG 3.67Å
889	G	80.6	Confident	80.9	Confident	11 Å²	11	49 Å²	49	11%	0.113	29%	0.291	C	S	.	.	H	α-helix	trans	-70.1	-31.5	178.3	0	0	0	0	0	114.3	Y835 C886 D887 G891	Y835-G889 VanDerWaalsContact CD1-C 3.43Å; Y835-G889 WeakPolarHBondContact CD1-O 3.27Å; Y835-G889 WeakPolarHBondContact CE1-O 3.41Å; C886-G889 WeakPolarHBondContact O-CA 3.28Å; C886-G889 PolarHBondContact O-N 3.47Å; D887-G889 VanDerWaalsContact C-N 3.28Å; D887-G889 PolarHBondContact O-N 2.94Å; G889-G891 PolarHBondContact O-N 3.29Å
890	A	80.1	Confident	80.2	Confident	41 Å²	41	47.9 Å²	47.9	34%	0.339	29%	0.288	S	S	.	.	H	α-helix	trans	-74.8	-7.1	175.6	0	0	0	0	0	113.8	Y835 C886 D887 T892	Y835-A890 HydrophobicContact CD2-CB 4.07Å; Y835-A890 HydrophobicContact CE2-CB 3.73Å; C886-A890 PolarHBondContact O-N 3.03Å; D887-A890 CarbonylContact O-C 3.51Å; D887-A890 PolarHBondContact O-N 3.46Å; D887-A890 VanDerWaalsContact O-N 3.12Å; A890-T892 VanDerWaalsContact C-N 3.33Å; A890-T892 HydrophobicContact CB-CG2 4.3Å
891	G	79.3	Confident	79.3	Confident	53 Å²	53	46.6 Å²	46.6	55%	0.546	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	14.4	179.1	0	0	0	0	0	114.5	D887 C888 G889 L893	D887-G891 PolarHBondContact O-N 3.14Å; D887-G891 VanDerWaalsContact O-N 3.1Å; C888-G891 PolarHBondContact O-N 2.81Å; G889-G891 PolarHBondContact O-N 3.29Å; G891-L893 PolarHBondContact O-N 2.98Å
892	T	77.1	Confident	77.8	Confident	82 Å²	82	53.2 Å²	53.2	50%	0.503	33%	0.329	S	S	.	.			trans	-78.4	-2.5	178.5	58.7	0	0	0	0	113.4	D887 A890	D887-T892 WeakPolarHBondContact CA-OG1 3.48Å; D887-T892 WeakPolarHBondContact CB-OG1 3.36Å; D887-T892 VanDerWaalsContact CG-OG1 3.29Å; D887-T892 PolarHBondContact O-N 2.98Å; D887-T892 PolarHBondContact O-OG1 3.47Å; D887-T892 VanDerWaalsContact O-OG1 3.08Å; D887-T892 PolarHBondContact OD1-OG1 3.16Å; A890-T892 VanDerWaalsContact C-N 3.33Å; A890-T892 HydrophobicContact CB-CG2 4.3Å
893	L	77.6	Confident	76	Confident	25 Å²	25	57.2 Å²	57.2	13%	0.131	36%	0.355	C	S	.	.	S	Bend	trans	-109.7	152.1	178.2	-51.8	-173.8	0	0	0	110.9	T856 I862 D887 C888 G891 N895	T856-L893 HydrophobicContact CG2-CD1 4.27Å; T856-L893 HydrophobicContact CG2-CD2 3.78Å; I862-L893 HydrophobicContact CD1-CD1 4.12Å; I862-L893 HydrophobicContact CG1-CD1 4.12Å; D887-L893 HydrophobicContact CB-CD2 4.4Å; D887-L893 HydrophobicContact CB-CG 4.39Å; C888-L893 HydrophobicContact CB-CD1 3.85Å; G891-L893 PolarHBondContact O-N 2.98Å; L893-N895 PolarHBondContact O-N 2.7Å; L893-N895 VanDerWaalsContact O-N 3.1Å
894	S	68.6	Low	74.3	Confident	114 Å²	114	59.6 Å²	59.6	80%	0.797	38%	0.376	S	S	*	.	S	Bend	trans	-62.7	-17.8	-174.8	51.3	0	0	0	0	115.8
895	N	71.4	Confident	72.3	Confident	97 Å²	97	64.8 Å²	64.8	52%	0.519	40%	0.4	S	S	.	.	S	Bend	trans	-112.1	127.5	175.7	-71.2	-20.3	0	0	0	110.1	L893	L893-N895 PolarHBondContact O-N 2.7Å; L893-N895 VanDerWaalsContact O-N 3.1Å
896	P	73.3	Confident	70.1	Confident	112 Å²	112	68.4 Å²	68.4	73%	0.727	42%	0.421	S	S	*	.			trans	-69.4	146.3	-177.8	28.4	-35.2	0	0	0	112.7	T898	P896-T898 PolarHBondContact O-N 2.69Å
897	C	81.7	Confident	67.8	Low	19 Å²	19	74.2 Å²	74.2	13%	0.128	46%	0.457	C	S	.	.			trans	-75.6	113.9	-177.6	-171.5	0	0	0	0	113.2	C866 C888 L899 A900	C866-C897 VanDerWaalsContact SG-SG 3.63Å; C888-C897 VanDerWaalsContact O-CB 3.26Å; C888-C897 WeakPolarHBondContact O-CB 3.42Å; C888-C897 VanDerWaalsContact SG-SG 3.67Å; C897-L899 PolarHBondContact O-N 2.99Å; C897-L899 VanDerWaalsContact O-N 3.1Å; C897-L899 PolarHBondContact SG-N 2.74Å; C897-L899 VanDerWaalsContact SG-N 3.39Å; C897-A900 HydrophobicContact CB-CB 4.04Å; C897-A900 PolarHBondContact O-N 2.84Å
898	T	82.3	Confident	65.4	Low	113 Å²	113	80.9 Å²	80.9	69%	0.693	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-5	173	57.6	0	0	0	0	114.2	P896	P896-T898 PolarHBondContact O-N 2.69Å
899	L	82.4	Confident	63.2	Low	34 Å²	34	85.2 Å²	85.2	18%	0.178	52%	0.519	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112	-4.8	-178.1	-61.2	-176	0	0	0	115	G831 C833 N865 K869 C897	G831-L899 WeakPolarHBondContact O-CD1 3.5Å; C833-L899 HydrophobicContact CB-CB 3.76Å; C833-L899 WeakPolarHBondContact CB-O 3.49Å; C833-L899 PolarHBondContact N-O 3.45Å; N865-L899 HydrophobicContact CB-CD1 3.99Å; N865-L899 VanDerWaalsContact O-CD1 3.29Å; N865-L899 WeakPolarHBondContact O-CD1 3.45Å; K869-L899 HydrophobicContact CB-CD1 3.83Å; K869-L899 HydrophobicContact CB-CD2 4.39Å; K869-L899 HydrophobicContact CB-CG 4.18Å; K869-L899 HydrophobicContact CG-CD1 3.96Å; K869-L899 HydrophobicContact CG-CD2 4.2Å; K869-L899 HydrophobicContact CG-CG 4.42Å; C897-L899 PolarHBondContact O-N 2.99Å; C897-L899 VanDerWaalsContact O-N 3.1Å; C897-L899 PolarHBondContact SG-N 2.74Å; C897-L899 VanDerWaalsContact SG-N 3.39Å
900	A	71	Confident	60.7	Low	18 Å²	18	92.8 Å²	92.8	15%	0.149	56%	0.556	C	S	.	*	T	Hydrogen-bonded Turn	trans	-78.1	-45.7	176.5	0	0	0	0	0	111.5	K836 C897	K836-A900 WeakPolarHBondContact CD-O 3.28Å; K836-A900 VanDerWaalsContact CG-O 3.32Å; K836-A900 WeakPolarHBondContact CG-O 3.48Å; K836-A900 PolarHBondContact NZ-O 2.99Å; C897-A900 HydrophobicContact CB-CB 4.04Å; C897-A900 PolarHBondContact O-N 2.84Å
901	G	66.7	Low	58.5	Low	46 Å²	46	100 Å²	100	47%	0.474	58%	0.576	S	S	.	*			trans	99.3	-163.4	-169.5	0	0	0	0	0	111.5
902	E	55.3	Low	55.9	Low	188 Å²	188	103.9 Å²	103.9	88%	0.879	58%	0.584	S	S	*	*	S	Bend	trans	-66	144.4	174.4	-66.5	178.8	154.2	0	0	111.2	T904	E902-T904 PolarHBondContact O-N 2.92Å
903	P	48.6	Very low	53.7	Low	97 Å²	97	104.7 Å²	104.7	63%	0.63	59%	0.593	S	S	*	*			trans	-72	123.1	-177.8	28.5	-34.1	0	0	0	111.6	H905	P903-H905 PolarHBondContact O-CD2 3.22Å; P903-H905 PolarHBondContact O-N 3.01Å
904	T	47.5	Very low	51.1	Low	100 Å²	100	106.3 Å²	106.3	61%	0.613	61%	0.61	S	S	*	*			trans	-74.7	92.4	166.6	51.8	0	0	0	0	109.3	E902 D906	E902-T904 PolarHBondContact O-N 2.92Å; T904-D906 PolarHBondContact O-N 3.17Å; T904-D906 VanDerWaalsContact O-N 3.1Å
905	H	39.2	Very low	49.1	Very low	147 Å²	147	106 Å²	106	68%	0.681	61%	0.606	S	S	*	*			trans	-72.1	93.2	176.6	-78.8	-91.9	0	0	0	111.7	P903	P903-H905 PolarHBondContact O-CD2 3.22Å; P903-H905 PolarHBondContact O-N 3.01Å
906	D	35.7	Very low	47.2	Very low	119 Å²	119	106.6 Å²	106.6	64%	0.636	62%	0.615	S	S	*	*			trans	-142.6	74	161.4	-94.8	-42.5	0	0	0	108.8	Y840 T904 D908	Y840-D906 PolarHBondContact OH-O 3.25Å; T904-D906 PolarHBondContact O-N 3.17Å; T904-D906 VanDerWaalsContact O-N 3.1Å; D906-D908 PolarHBondContact O-N 2.95Å
907	T	38	Very low	44.9	Very low	122 Å²	122	108.5 Å²	108.5	75%	0.748	62%	0.617	S	S	*	*			trans	-95.7	51.8	-168.7	55.4	0	0	0	0	113.2
908	D	33.7	Very low	42.2	Very low	159 Å²	159	115.1 Å²	115.1	85%	0.85	65%	0.646	S	S	*	*			trans	-115.3	7.2	-173.3	-134.6	24.7	0	0	0	114.3	D906	D906-D908 PolarHBondContact O-N 2.95Å
909	T	38.2	Very low	39.9	Very low	92 Å²	92	114.2 Å²	114.2	56%	0.564	65%	0.645	S	S	*	*			trans	-130.9	69.3	171.8	40.5	0	0	0	0	112.1	Y911	T909-Y911 VanDerWaalsContact C-N 3.27Å; T909-Y911 PolarHBondContact O-N 3.39Å
910	L	27.8	Very low	37.2	Very low	170 Å²	170	118.9 Å²	118.9	89%	0.89	67%	0.67	S	S	*	*			trans	-69.3	80.6	169.1	-111	164.9	0	0	0	110.6	D912	L910-D912 PolarHBondContact O-N 2.96Å; L910-D912 VanDerWaalsContact O-N 3.15Å
911	Y	32.6	Very low	35.4	Very low	192 Å²	192	122.8 Å²	122.8	75%	0.753	69%	0.692	S	S	*	*			trans	-75.1	98.2	170.2	-114.4	-81.8	0	0	0	109.7	T909	T909-Y911 VanDerWaalsContact C-N 3.27Å; T909-Y911 PolarHBondContact O-N 3.39Å
912	D	26	Very low	33.4	Very low	135 Å²	135	127.4 Å²	127.4	72%	0.722	71%	0.705	S	S	*	*			trans	-59.9	138.8	170.3	-171.9	13.2	0	0	0	110	L910 A914	L910-D912 PolarHBondContact O-N 2.96Å; L910-D912 VanDerWaalsContact O-N 3.15Å; D912-A914 PolarHBondContact O-N 3.23Å
913	S	29.4	Very low	32.1	Very low	100 Å²	100	127 Å²	127	70%	0.699	70%	0.703	S	S	*	*			trans	-81.9	48.4	-178.2	-64.6	0	0	0	0	111.4
914	A	23.7	Very low	31.1	Very low	59 Å²	59	130.5 Å²	130.5	49%	0.488	71%	0.711	S	S	.	*			trans	-66.7	139	176.3	0	0	0	0	0	110.5	D912	D912-A914 PolarHBondContact O-N 3.23Å
915	P	26	Very low	30.2	Very low	107 Å²	107	136.3 Å²	136.3	70%	0.695	74%	0.738	S	S	*	*			trans	-60.3	156	165	29.2	-34.6	0	0	0	109.6	I917	P915-I917 PolarHBondContact O-N 2.78Å
916	P	32.1	Very low	29.8	Very low	109 Å²	109	135.8 Å²	135.8	71%	0.708	74%	0.741	S	S	*	*			trans	-57.1	113.9	179.6	24.1	-34.1	0	0	0	110	E918	P916-E918 PolarHBondContact O-N 3.15Å
917	I	25.3	Very low	29.5	Very low	153 Å²	153	136.7 Å²	136.7	79%	0.785	75%	0.746	S	S	*	*			trans	-52.4	128.7	-178	-58.8	172.8	0	0	0	108.8	P915 S919	P915-I917 PolarHBondContact O-N 2.78Å; I917-S919 PolarHBondContact O-N 3.19Å
918	E	25.9	Very low	29	Very low	157 Å²	157	137.5 Å²	137.5	73%	0.734	75%	0.746	S	S	*	*			trans	-57.4	115.8	173.6	-69	-169.2	145.8	0	0	108.8	P916 N920	P916-E918 PolarHBondContact O-N 3.15Å; E918-N920 PolarHBondContact O-N 3.32Å
919	S	33	Very low	28.7	Very low	95 Å²	95	136.2 Å²	136.2	66%	0.664	74%	0.74	S	S	*	*			trans	-75.2	69.9	179.8	62.8	0	0	0	0	109.9	I917 T921	I917-S919 PolarHBondContact O-N 3.19Å; S919-T921 PolarHBondContact O-N 2.66Å; S919-T921 PolarHBondContact O-OG1 2.88Å; S919-T921 VanDerWaalsContact O-OG1 3.12Å
920	N	26.3	Very low	28.2	Very low	131 Å²	131	139 Å²	139	70%	0.701	75%	0.751	S	S	*	*			trans	-61.6	82.3	171.3	-85.3	-44.9	0	0	0	108.9	E918 L922	E918-N920 PolarHBondContact O-N 3.32Å; N920-L922 PolarHBondContact O-N 2.77Å
921	T	32	Very low	28.2	Very low	100 Å²	100	136.9 Å²	136.9	61%	0.613	74%	0.742	S	S	*	*			trans	-73.4	96.4	173.8	-48.8	0	0	0	0	105.4	S919 Q923	S919-T921 PolarHBondContact O-N 2.66Å; S919-T921 PolarHBondContact O-OG1 2.88Å; S919-T921 VanDerWaalsContact O-OG1 3.12Å; T921-Q923 PolarHBondContact O-N 3.35Å; T921-Q923 VanDerWaalsContact O-N 3.12Å
922	L	25.6	Very low	27.9	Very low	143 Å²	143	133 Å²	133	75%	0.749	74%	0.741	S	S	*	*			trans	-50.6	119.8	-178.5	-78.2	165.5	0	0	0	110	N920 H924	N920-L922 PolarHBondContact O-N 2.77Å; L922-H924 VanDerWaalsContact C-N 3.33Å; L922-H924 PolarHBondContact O-N 3.41Å
923	Q	26.8	Very low	28	Very low	181 Å²	181	132.8 Å²	132.8	85%	0.846	74%	0.743	S	S	*	*			trans	-72.3	91.7	169.4	-71.3	-176.2	-53.8	0	0	108.5	T921	T921-Q923 PolarHBondContact O-N 3.35Å; T921-Q923 VanDerWaalsContact O-N 3.12Å
924	H	28.4	Very low	27.9	Very low	170 Å²	170	135.6 Å²	135.6	79%	0.787	75%	0.746	S	S	*	*			trans	-79.4	116.1	154	-81.6	-73.4	0	0	0	108.2	L922	L922-H924 VanDerWaalsContact C-N 3.33Å; L922-H924 PolarHBondContact O-N 3.41Å
925	N	29.8	Very low	28.3	Very low	222 Å²	222	142.5 Å²	142.5	100%	1.187	77%	0.77	S	S	*	*			trans	-75.2	0	165.1	-63	-41.6	0	0	0	110.2

Retrieved 925 of 925 residues in 409.6 ms (Link to these results)

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