A0A087Y2F3_POEFO Loading...

Piwi-like protein 2

AlphaFold DB , UniProt , Accession A0A087Y2F3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,030 aa.

						>A0A087Y2F3_POEFO|A0A087Y2F3
MDPRKPPDLSDNAGFQMLGRGRGLQPVEMAVGRSRGLLLSAEGLGLGRARGFLPPGDIPAGRGVLPPSTAPGRGLLVQPDEVGVGRARGLLLPSAEPGVGVSRGAVLPRLEQQHEQKHIIRFASMVTEVSVLLQVCAPPCGQGSTLVSMFRGMGVTSWGRGTPAVGRGESGDDGQVKVQGSLVGLTTAMQGAGHRGDSMGRMVVGLGRAALPQLGVGRGQIKPVSPTSDPQKAPLSPPHPEVVPTTQDLPVPLSSAQPKKEMTMEAVRTPINKTGTKGAPISSPSFFEVKKCLKLTGNFKISLDNHVLLKDFLKNANILQGLKKSQCLAWWGHKLFYLADEMQEVLLKSLRRTDNQEIEIKIQMTKILPPNCDLCIPFYNVVFRRVMKIIGLKQVARNHYDPESAVVLEKQRLQVWPGYATAIKRTDGGLYLSVEVTHKVLQNDSVLDLMNMLYRQSKENFQDVCTKELVGAIVITRYNNRTYRIDSIEWNKSPNDTFTLMDGTKTTFLEYYSKNYGITIKEMNQPLLLHRPKERSKPGGKQIITGEILLVPELSFLTGIPEKMRKDMRAMKELTNHINVSSEQHTNSIKQLLKNISSNPESVKELSRWGLEIGSDILIIQGRTLPLETICLQTSCFATGADVSWSREVVRDTSISSVPLNIWAIFYPSRCADQAEELVSTFKKVAGPIGVRMARPIRVELRDERTETYVKSIHSHLTSEPNLQLVVCIMVGNRDDLYSAIKKLCCVKSPIPSQAINVRTISQQMKLKSVAQKILLQVNSKLGGELWTVNIPLKNLMVVGVDVHHDTSKSHQSVMGFVASVNSSLTRWYSRVTFQTPTEELIHGFRVCLLAALQKYHEINHNLPEKIVVYRDGVSDGQLKMVEQYEIPQLIKCFETFPRYEPKLVFIVVQKRISTNLYSWASNSFGTPPPGTVLDHTLTHKDWVDFYLMAHHIRQGCGLPTHYISLYNTANLSPDHLQRLTFKMCHLYWNWPGTIRVPAPCKYAHKLAFLSGQYLHSEPAIQLSDKLFFL
					

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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	29.9	Very low	28.9	Very low	241 Å²	241	149.2 Å²	149.2	100%	1.187	79%	0.793	S	S	*	*				0	82.7	0	-57.8	174.8	-172.9	0	0	105.1
2	D	31.8	Very low	28.5	Very low	114 Å²	114	148.9 Å²	148.9	61%	0.61	79%	0.792	S	S	*	*				78.2	102.2	94.3	-171.9	3.3	0	0	0	111.8	R4	D2-R4 VanDerWaalsContact C-N 3.28Å; D2-R4 PolarHBondContact O-N 3.46Å; D2-R4 WeakPolarHBondContact OD1-CB 3.23Å; D2-R4 PolarHBondContact OD1-N 3.47Å
3	P	29.6	Very low	28.3	Very low	130 Å²	130	145.2 Å²	145.2	84%	0.844	80%	0.796	S	S	*	*	S	Bend	trans	-86.3	21.1	-178	37.5	-36.9	0	0	0	114
4	R	26.5	Very low	27.8	Very low	217 Å²	217	139.8 Å²	139.8	82%	0.819	79%	0.79	S	S	*	*	S	Bend	trans	-108.5	8.7	-171.8	-61.1	-170.2	178.3	-168.5	2.2	116.7	D2	D2-R4 VanDerWaalsContact C-N 3.28Å; D2-R4 PolarHBondContact O-N 3.46Å; D2-R4 WeakPolarHBondContact OD1-CB 3.23Å; D2-R4 PolarHBondContact OD1-N 3.47Å
5	K	30.8	Very low	27.4	Very low	174 Å²	174	143.8 Å²	143.8	76%	0.757	80%	0.795	S	S	*	*			trans	-164.1	151.6	164.8	-111.4	163.6	-175.1	-172.2	0	109.2
6	P	32.6	Very low	27.1	Very low	120 Å²	120	146.2 Å²	146.2	78%	0.779	80%	0.799	S	S	*	*				-139.5	-162.8	72.6	48.7	-32.2	0	0	0	111.6
7	P	28.3	Very low	26.8	Very low	104 Å²	104	147.5 Å²	147.5	68%	0.675	80%	0.801	S	S	*	*				-135.5	-169.2	-113.3	32.5	-5.7	0	0	0	116.6
8	D	24.8	Very low	26.5	Very low	127 Å²	127	148.9 Å²	148.9	68%	0.679	81%	0.807	S	S	*	*			trans	-30.4	142.7	169.7	-57.2	-67.8	0	0	0	117
9	L	32.6	Very low	26.3	Very low	163 Å²	163	144.6 Å²	144.6	85%	0.853	80%	0.8	S	S	*	*			cis	93.1	96.2	42.6	-78.4	174.4	0	0	0	115
10	S	25.6	Very low	26.2	Very low	111 Å²	111	149.8 Å²	149.8	78%	0.776	81%	0.807	S	S	*	*			trans	-166.7	151.7	148.8	49.9	0	0	0	0	108.3
11	D	24.8	Very low	26.1	Very low	140 Å²	140	146.4 Å²	146.4	75%	0.749	81%	0.808	S	S	*	*			cis	-145.1	177	4.4	-136.4	-48.5	0	0	0	113.4
12	N	24.4	Very low	25.7	Very low	146 Å²	146	145.5 Å²	145.5	78%	0.781	79%	0.791	S	S	*	*			trans	-50.5	141.8	-171.1	-75.5	-83.2	0	0	0	118.6
13	A	25.6	Very low	25.2	Very low	101 Å²	101	143.8 Å²	143.8	84%	0.835	80%	0.8	S	S	*	*				161.9	146.9	100.2	0	0	0	0	0	115.7
14	G	22	Very low	24.9	Very low	69 Å²	69	143.3 Å²	143.3	71%	0.711	79%	0.79	S	S	*	*				96.6	55.1	126.8	0	0	0	0	0	123.9
15	F	21.9	Very low	25.1	Very low	200 Å²	200	140.6 Å²	140.6	88%	0.877	79%	0.787	S	S	*	*			trans	63.3	145.7	141	-91.7	-89.3	0	0	0	125.6
16	Q	21.7	Very low	24.9	Very low	182 Å²	182	135.2 Å²	135.2	85%	0.85	77%	0.769	S	S	*	*			trans	83.7	147.4	151.6	-96.7	175.8	37.6	0	0	122.7
17	M	22.3	Very low	24.5	Very low	169 Å²	169	133.9 Å²	133.9	83%	0.833	76%	0.759	S	S	*	*			trans	-122.5	124.1	-166.2	-90.1	-106.6	75.6	0	0	112.1
18	L	22.3	Very low	24.4	Very low	173 Å²	173	133.5 Å²	133.5	91%	0.906	75%	0.748	S	S	*	*			trans	-161.2	144.5	159.9	-94.3	137.9	0	0	0	107.3
19	G	22.5	Very low	24.5	Very low	66 Å²	66	132.4 Å²	132.4	68%	0.68	74%	0.74	S	S	*	*			cis	-166.7	143.2	-11.8	0	0	0	0	0	108.9	G21	G19-G21 PolarHBondContact O-N 2.86Å
20	R	24.8	Very low	24.1	Very low	248 Å²	248	128.5 Å²	128.5	94%	0.936	73%	0.731	S	S	*	*			trans	-72.3	111.8	-170.9	-76.4	-173.4	176.2	-171.7	-0.2	113.6
21	G	22.3	Very low	24.1	Very low	80 Å²	80	127.3 Å²	127.3	83%	0.825	72%	0.719	S	S	*	*			trans	-60.8	132.3	163.8	0	0	0	0	0	112.1	G19	G19-G21 PolarHBondContact O-N 2.86Å
22	R	22.8	Very low	24	Very low	222 Å²	222	122.2 Å²	122.2	84%	0.838	70%	0.7	S	S	*	*			trans	-94	109.7	-175.8	-65	-178.7	-178.4	-179.5	2.7	111.6	L24	R22-L24 PolarHBondContact O-N 2.67Å
23	G	21.8	Very low	24.3	Very low	78 Å²	78	123.8 Å²	123.8	80%	0.804	70%	0.695	S	S	*	*			trans	-67.1	122.9	169.8	0	0	0	0	0	112.3
24	L	22.9	Very low	24.2	Very low	120 Å²	120	122 Å²	122	63%	0.628	68%	0.676	S	S	*	*			trans	-83.5	115.4	-176.1	-78	166.5	0	0	0	112.8	R22	R22-L24 PolarHBondContact O-N 2.67Å
25	Q	31.3	Very low	24.5	Very low	160 Å²	160	127.5 Å²	127.5	75%	0.748	68%	0.676	S	S	*	*			trans	-108.3	113	169.8	-81.9	-90.8	-21	0	0	110.6
26	P	25.6	Very low	24.6	Very low	60 Å²	60	120.3 Å²	120.3	39%	0.39	66%	0.658	S	S	.	*			trans	-107.3	121.1	165.8	0.1	20.8	0	0	0	112.2	R481	P26-R481 PolarHBondContact O-NH2 3.44Å
27	V	24.6	Very low	24.8	Very low	92 Å²	92	117 Å²	117	56%	0.558	65%	0.646	S	S	*	*			trans	-107.6	127.6	173.5	176.3	0	0	0	0	109.4	K310	V27-K310 PolarHBondContact O-NZ 3.11Å
28	E	26.1	Very low	25	Very low	96 Å²	96	113.1 Å²	113.1	45%	0.449	63%	0.627	S	S	.	*				178.6	165.2	102.7	-158.4	162.6	-122.4	0	0	113.7	K537	E28-K537 IonicContact OE2-NZ 2.65Å
29	M	27.2	Very low	25.2	Very low	104 Å²	104	107.7 Å²	107.7	51%	0.512	60%	0.599	S	S	.	*			trans	-47.9	135.3	-174.8	-60.3	167.8	-81.2	0	0	118.1
30	A	22.7	Very low	25.3	Very low	81 Å²	81	108.4 Å²	108.4	67%	0.669	59%	0.593	S	S	*	*			trans	-107	130.8	155.3	0	0	0	0	0	110.6	G32	A30-G32 PolarHBondContact O-N 3.1Å
31	V	25.4	Very low	25.3	Very low	87 Å²	87	101.6 Å²	101.6	53%	0.527	59%	0.59	S	S	.	*			trans	-82.5	66.2	173.8	-167.4	0	0	0	0	109.7	R535	V31-R535 PolarHBondContact O-NH2 3.08Å
32	G	24.4	Very low	25.7	Very low	33 Å²	33	101.8 Å²	101.8	34%	0.34	57%	0.57	S	S	.	*			trans	-75.7	137.2	169.9	0	0	0	0	0	111	A30 S34 R397	A30-G32 PolarHBondContact O-N 3.1Å; G32-S34 PolarHBondContact O-N 2.88Å; G32-R397 PolarHBondContact O-NH2 3.23Å
33	R	29.4	Very low	25.6	Very low	179 Å²	179	93.9 Å²	93.9	68%	0.675	56%	0.557	S	S	*	*			trans	-84.9	64.6	169	-79.5	-178.1	167.2	-165.8	-1.8	110.2	E840	R33-E840 IonicContact CZ-OE1 2.91Å; R33-E840 IonicContact NH1-OE1 3.48Å; R33-E840 PolarHBondContact NH1-OE1 2.96Å; R33-E840 IonicContact NH2-OE1 2.69Å; R33-E840 PolarHBondContact NH2-OE1 2.65Å
34	S	23.8	Very low	25.9	Very low	64 Å²	64	98.3 Å²	98.3	45%	0.448	56%	0.561	S	S	.	*			trans	-114.4	65.3	172.2	50.2	0	0	0	0	110.2	G32	G32-S34 PolarHBondContact O-N 2.88Å
35	R	28.1	Very low	25.8	Very low	184 Å²	184	96 Å²	96	69%	0.694	57%	0.566	S	S	*	*			trans	-62.1	146.7	160.8	-74.2	-170.9	178.5	169.3	1.9	108	R912	R35-R912 PolarHBondContact NH1-O 3.33Å
36	G	24.9	Very low	25.6	Very low	49 Å²	49	93.2 Å²	93.2	51%	0.505	56%	0.556	S	S	.	*			trans	-57.9	159.1	171.1	0	0	0	0	0	111.1	L38	G36-L38 PolarHBondContact O-N 2.82Å
37	L	25.9	Very low	25.4	Very low	113 Å²	113	93.4 Å²	93.4	59%	0.592	57%	0.569	S	S	*	*			trans	-67.1	83.3	170.2	-84.4	159.2	0	0	0	109.5	L39	L37-L39 PolarHBondContact O-N 3.33Å; L37-L39 VanDerWaalsContact O-N 3.11Å
38	L	26.2	Very low	25.5	Very low	86 Å²	86	98.4 Å²	98.4	45%	0.45	58%	0.578	S	S	.	*			trans	-51.1	113.7	145.8	-99.4	162.4	0	0	0	105.9	G36 S40 L959	G36-L38 PolarHBondContact O-N 2.82Å; L38-S40 VanDerWaalsContact C-N 3.29Å; L38-S40 PolarHBondContact O-N 2.77Å; L38-L959 HydrophobicContact CD2-CD1 4.2Å
39	L	25.9	Very low	25.5	Very low	60 Å²	60	98.5 Å²	98.5	31%	0.314	59%	0.594	S	S	.	*			trans	-64.2	94.1	174.9	-75.7	-178.1	0	0	0	108.4	L37 A41 I560 M571 T575 I578	L37-L39 PolarHBondContact O-N 3.33Å; L37-L39 VanDerWaalsContact O-N 3.11Å; L39-A41 PolarHBondContact O-N 2.98Å; L39-I560 HydrophobicContact CD2-CD1 4.19Å; L39-M571 HydrophobicContact CD1-CE 3.71Å; L39-M571 HydrophobicContact CD2-CE 3.94Å; L39-M571 HydrophobicContact CG-CE 4.47Å; L39-T575 HydrophobicContact CD1-CG2 4.23Å; L39-I578 HydrophobicContact CD1-CD1 3.73Å; L39-I578 HydrophobicContact CD1-CG1 4.17Å; L39-I578 HydrophobicContact CG-CD1 4.15Å
40	S	25.9	Very low	25.5	Very low	80 Å²	80	103.9 Å²	103.9	56%	0.559	61%	0.609	S	S	*	*			trans	-62.4	113.2	166.8	-170.6	0	0	0	0	107.5	L38 E42 G43	L38-S40 VanDerWaalsContact C-N 3.29Å; L38-S40 PolarHBondContact O-N 2.77Å; S40-E42 PolarHBondContact O-N 2.9Å; S40-E42 WeakPolarHBondContact OG-CB 3.32Å; S40-E42 WeakPolarHBondContact OG-CG 3.46Å; S40-G43 PolarHBondContact O-N 2.74Å
41	A	24.8	Very low	25.4	Very low	105 Å²	105	103.4 Å²	103.4	87%	0.868	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	5.4	174.2	0	0	0	0	0	113.2	L39 G43	L39-A41 PolarHBondContact O-N 2.98Å; A41-G43 VanDerWaalsContact C-N 3.35Å
42	E	29.1	Very low	25.3	Very low	85 Å²	85	109.1 Å²	109.1	40%	0.397	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.2	10.1	179.3	-49	-163.4	135.2	0	0	114.2	S40 K1002	S40-E42 PolarHBondContact O-N 2.9Å; S40-E42 WeakPolarHBondContact OG-CB 3.32Å; S40-E42 WeakPolarHBondContact OG-CG 3.46Å; E42-K1002 IonicContact OE1-NZ 3.21Å; E42-K1002 PolarHBondContact OE1-NZ 2.83Å; E42-K1002 IonicContact OE2-NZ 2.73Å; E42-K1002 PolarHBondContact OE2-NZ 2.89Å
43	G	22.3	Very low	25.2	Very low	55 Å²	55	115.3 Å²	115.3	57%	0.567	66%	0.655	S	S	*	*	S	Bend	trans	-60.8	168.9	157.5	0	0	0	0	0	111.7	S40 A41 G45	S40-G43 PolarHBondContact O-N 2.74Å; A41-G43 VanDerWaalsContact C-N 3.35Å; G43-G45 VanDerWaalsContact C-N 3.28Å; G43-G45 PolarHBondContact O-N 3.1Å
44	L	26.7	Very low	24.8	Very low	172 Å²	172	112 Å²	112	90%	0.901	66%	0.656	S	S	*	*			trans	-69.1	79.4	-177.8	-87	164.7	0	0	0	112.8	L46	L44-L46 PolarHBondContact O-N 2.74Å
45	G	22.1	Very low	24.9	Very low	71 Å²	71	115.3 Å²	115.3	73%	0.732	68%	0.676	S	S	*	*			trans	-69.3	88.7	176.2	0	0	0	0	0	112.5	G43 G47	G43-G45 VanDerWaalsContact C-N 3.28Å; G43-G45 PolarHBondContact O-N 3.1Å; G45-G47 PolarHBondContact O-N 3.48Å
46	L	26	Very low	24.6	Very low	102 Å²	102	109.7 Å²	109.7	53%	0.534	68%	0.675	S	S	.	*			trans	-57.3	103.1	161.6	-93.9	111.9	0	0	0	109.1	L44 R48 T760	L44-L46 PolarHBondContact O-N 2.74Å; L46-R48 PolarHBondContact O-N 3.25Å; L46-T760 HydrophobicContact CD2-CG2 4.02Å
47	G	22.8	Very low	24.6	Very low	63 Å²	63	115.2 Å²	115.2	65%	0.649	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-60.2	125.2	-173.2	0	0	0	0	0	112.8	G45	G45-G47 PolarHBondContact O-N 3.48Å
48	R	26.2	Very low	24.6	Very low	198 Å²	198	117.7 Å²	117.7	75%	0.747	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-100.7	134	161.6	-71.4	-168.9	174	-144	0.9	109.6	L46	L46-R48 PolarHBondContact O-N 3.25Å
49	A	25	Very low	24.6	Very low	97 Å²	97	119.4 Å²	119.4	80%	0.802	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-78.5	170	167.9	0	0	0	0	0	110.8
50	R	28.4	Very low	24.6	Very low	217 Å²	217	121.7 Å²	121.7	82%	0.819	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-72.7	154.5	-175.7	-56.3	176.8	-175.4	161.4	2.4	111.6
51	G	21.1	Very low	24.5	Very low	71 Å²	71	121.3 Å²	121.3	73%	0.732	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-88.6	158.1	150.2	0	0	0	0	0	109.6
52	F	21.8	Very low	24.6	Very low	208 Å²	208	128.8 Å²	128.8	91%	0.912	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-89.2	162.1	169.2	-72.5	-94.8	0	0	0	110.4
53	L	22	Very low	24.4	Very low	163 Å²	163	128.1 Å²	128.1	85%	0.853	78%	0.78	S	S	*	*			trans	-114.3	153.4	164.1	-79.1	169.5	0	0	0	108.8
54	P	22.9	Very low	24.6	Very low	109 Å²	109	131.9 Å²	131.9	71%	0.708	79%	0.791	S	S	*	*			trans	-71.2	163.8	-178.8	31.1	-36.2	0	0	0	112.5
55	P	25	Very low	24.7	Very low	134 Å²	134	131.4 Å²	131.4	87%	0.87	79%	0.789	S	S	*	*			trans	-71.3	151.2	176.6	31.1	-35.8	0	0	0	112.2
56	G	22.3	Very low	25.3	Very low	65 Å²	65	133.1 Å²	133.1	67%	0.67	79%	0.787	S	S	*	*			trans	-152.5	112.2	171.6	0	0	0	0	0	110.6
57	D	23.8	Very low	26.3	Very low	165 Å²	165	133.8 Å²	133.8	88%	0.882	80%	0.798	S	S	*	*			trans	40	125.9	157.2	-51.1	-26	0	0	0	122
58	I	25.6	Very low	26.4	Very low	165 Å²	165	136 Å²	136	85%	0.846	80%	0.803	S	S	*	*			trans	-115.3	125.2	167.7	-61.3	171	0	0	0	108.6
59	P	26.3	Very low	26.4	Very low	123 Å²	123	132.8 Å²	132.8	80%	0.799	81%	0.806	S	S	*	*			trans	-81.4	138.9	162.3	31.3	-30.4	0	0	0	111.5
60	A	26.2	Very low	26.6	Very low	108 Å²	108	132.6 Å²	132.6	89%	0.893	80%	0.804	S	S	*	*			trans	-70.9	162.9	-164.1	0	0	0	0	0	117.3
61	G	24.4	Very low	27.2	Very low	72 Å²	72	128.5 Å²	128.5	74%	0.742	81%	0.806	S	S	*	*			trans	-178	90.5	166.7	0	0	0	0	0	116.3
62	R	27.3	Very low	27.4	Very low	261 Å²	261	128.3 Å²	128.3	99%	0.985	80%	0.804	S	S	*	*			trans	20.4	134.8	157.3	-57.8	177.8	175.7	-169	-2.5	119.9
63	G	25.2	Very low	27.8	Very low	71 Å²	71	130.7 Å²	130.7	73%	0.732	81%	0.807	S	S	*	*			cis	156.1	-175.6	-1.9	0	0	0	0	0	113.5
64	V	26.2	Very low	27.9	Very low	134 Å²	134	126.3 Å²	126.3	81%	0.812	80%	0.801	S	S	*	*			trans	82.9	89.3	161.4	-166.2	0	0	0	0	120.3
65	L	28.8	Very low	28.1	Very low	163 Å²	163	129.2 Å²	129.2	85%	0.853	81%	0.809	S	S	*	*			trans	74.3	157.3	133.1	-61	178	0	0	0	124.2
66	P	35.1	Very low	28.1	Very low	107 Å²	107	130.2 Å²	130.2	70%	0.695	81%	0.807	S	S	*	*			trans	-133.2	-135.6	-160.4	44	-21.2	0	0	0	111.3
67	P	45.9	Very low	28.3	Very low	116 Å²	116	134 Å²	134	75%	0.753	82%	0.816	S	S	*	*			cis	-132.4	175.5	-28.3	38.2	-21.5	0	0	0	115.6
68	S	25	Very low	28.3	Very low	109 Å²	109	134.1 Å²	134.1	76%	0.762	81%	0.812	S	S	*	*			trans	-161.7	122.8	147	45.2	0	0	0	0	115.8
69	T	26.5	Very low	29.2	Very low	130 Å²	130	130.7 Å²	130.7	80%	0.798	80%	0.8	S	S	*	*			trans	33.4	106.2	144.9	56.7	0	0	0	0	123.3
70	A	27.9	Very low	29.2	Very low	93 Å²	93	131 Å²	131	77%	0.769	80%	0.795	S	S	*	*				35.4	162.5	97.1	0	0	0	0	0	121.7
71	P	41.4	Very low	29.3	Very low	131 Å²	131	133.6 Å²	133.6	85%	0.851	79%	0.789	S	S	*	*			cis	-141.2	-177.4	-24.2	36.7	-17.4	0	0	0	115.9
72	G	26.3	Very low	29.4	Very low	67 Å²	67	136 Å²	136	69%	0.691	79%	0.789	S	S	*	*			trans	135.1	126.9	131.1	0	0	0	0	0	121.3
73	R	29.5	Very low	29.3	Very low	258 Å²	258	127 Å²	127	97%	0.974	78%	0.778	S	S	*	*			trans	61.4	132.2	160.2	-53	-176.3	-176.8	-148.4	0.1	118.4
74	G	24.9	Very low	29.4	Very low	71 Å²	71	130.8 Å²	130.8	73%	0.732	79%	0.786	S	S	*	*			cis	112.3	108.9	-15.2	0	0	0	0	0	116.3
75	L	26.1	Very low	29.3	Very low	170 Å²	170	128 Å²	128	89%	0.89	79%	0.785	S	S	*	*			trans	-170	142.8	153.1	-112.5	158.2	0	0	0	111.2
76	L	25.5	Very low	29.2	Very low	156 Å²	156	132 Å²	132	82%	0.817	79%	0.788	S	S	*	*			trans	-108	152.4	171.3	-78.8	74	0	0	0	109.7
77	V	25.7	Very low	28.7	Very low	143 Å²	143	131.2 Å²	131.2	87%	0.867	79%	0.791	S	S	*	*			trans	-144.8	138.7	136.7	-179	0	0	0	0	109.3
78	Q	25.2	Very low	27.8	Very low	169 Å²	169	137.4 Å²	137.4	79%	0.79	80%	0.799	S	S	*	*			trans	-133.2	171.4	160.7	-106.6	-150.9	101.7	0	0	105.8
79	P	43.6	Very low	27.7	Very low	92 Å²	92	135.5 Å²	135.5	60%	0.597	80%	0.797	S	S	*	*			cis	-150.8	-163.7	32.7	45	-22.8	0	0	0	116.2
80	D	26.4	Very low	27.6	Very low	129 Å²	129	136.9 Å²	136.9	69%	0.69	80%	0.799	S	S	*	*			trans	59	155.8	141.7	-60.8	-15	0	0	0	122.6
81	E	27.9	Very low	27.4	Very low	163 Å²	163	139 Å²	139	76%	0.762	80%	0.796	S	S	*	*			cis	-157.7	172.5	-29.7	-121.4	-153.7	149.4	0	0	111
82	V	27.3	Very low	26.6	Very low	123 Å²	123	140 Å²	140	75%	0.745	79%	0.794	S	S	*	*			trans	35.9	128	150	177.6	0	0	0	0	121.3
83	G	25	Very low	27.6	Very low	73 Å²	73	142.2 Å²	142.2	75%	0.753	80%	0.796	S	S	*	*			trans	-176.3	116.6	158.9	0	0	0	0	0	114.7
84	V	27.7	Very low	27.3	Very low	150 Å²	150	135.7 Å²	135.7	91%	0.909	79%	0.79	S	S	*	*			trans	-119.5	135.9	179.4	177	0	0	0	0	110.7
85	G	24.3	Very low	27.3	Very low	76 Å²	76	136.8 Å²	136.8	78%	0.784	79%	0.792	S	S	*	*			trans	-152.4	149.6	176.1	0	0	0	0	0	113.4
86	R	26.1	Very low	27.5	Very low	245 Å²	245	137.2 Å²	137.2	93%	0.925	79%	0.789	S	S	*	*			trans	-138.5	154.2	-175.9	-91.2	-177.3	166.6	-174.7	-1.7	111.1
87	A	24.9	Very low	27.9	Very low	91 Å²	91	135.7 Å²	135.7	75%	0.752	79%	0.789	S	S	*	*			trans	69.1	163.5	150.1	0	0	0	0	0	117
88	R	26.3	Very low	28	Very low	246 Å²	246	132.2 Å²	132.2	93%	0.928	78%	0.782	S	S	*	*			cis	-164.1	149.5	-20.7	-116.1	179.2	172.3	-173.6	-2.6	110.1
89	G	24	Very low	27.9	Very low	70 Å²	70	131.2 Å²	131.2	72%	0.722	79%	0.787	S	S	*	*			trans	79.4	177.5	153.2	0	0	0	0	0	117.9
90	L	23.6	Very low	26.9	Very low	158 Å²	158	130.3 Å²	130.3	83%	0.827	79%	0.794	S	S	*	*			cis	-170.5	152.8	-13.2	-118.7	170.2	0	0	0	110.8
91	L	22.8	Very low	26.8	Very low	138 Å²	138	130.5 Å²	130.5	72%	0.723	80%	0.8	S	S	*	*			trans	70.3	129.3	167.4	-52.7	170.7	0	0	0	116.1
92	L	24.9	Very low	26.5	Very low	153 Å²	153	127.2 Å²	127.2	80%	0.801	80%	0.795	S	S	*	*				79.2	149.2	54.3	-69.6	-177.5	0	0	0	114.4
93	P	47.4	Very low	26.5	Very low	113 Å²	113	133.2 Å²	133.2	73%	0.734	80%	0.804	S	S	*	*			cis	-142.3	-146.8	-33	42.2	-22.6	0	0	0	113.2
94	S	23.4	Very low	26.4	Very low	121 Å²	121	133 Å²	133	85%	0.846	80%	0.802	S	S	*	*			trans	85.2	147.8	170.7	-122.3	0	0	0	0	117.1
95	A	25.3	Very low	26.2	Very low	93 Å²	93	130.8 Å²	130.8	77%	0.769	80%	0.799	S	S	*	*			cis	-148	161.7	2.9	0	0	0	0	0	113.3
96	E	29.7	Very low	26.2	Very low	179 Å²	179	133.1 Å²	133.1	84%	0.836	80%	0.798	S	S	*	*			trans	-113.1	159.7	160.5	-127.2	-171.9	-119.9	0	0	107.8
97	P	35	Very low	26.1	Very low	125 Å²	125	128.3 Å²	128.3	81%	0.812	79%	0.79	S	S	*	*				-154.8	-163	67.4	41.3	-19.4	0	0	0	114.9
98	G	26.6	Very low	26.6	Very low	70 Å²	70	129.5 Å²	129.5	72%	0.722	79%	0.79	S	S	*	*			trans	161.3	22.8	157.2	0	0	0	0	0	126.4
99	V	23.9	Very low	26.6	Very low	148 Å²	148	126.5 Å²	126.5	90%	0.897	78%	0.779	S	S	*	*			trans	19.1	125.7	156.8	-175.3	0	0	0	0	122.4	V101	V99-V101 HydrophobicContact CG1-CG2 4.44Å
100	G	23.1	Very low	26.6	Very low	72 Å²	72	130.8 Å²	130.8	74%	0.742	78%	0.784	S	S	*	*			trans	172.7	135.1	155.8	0	0	0	0	0	113.8
101	V	23.2	Very low	26.9	Very low	133 Å²	133	129.1 Å²	129.1	81%	0.806	77%	0.772	S	S	*	*			cis	88.1	125.8	2.8	-171.8	0	0	0	0	116	V99	V99-V101 HydrophobicContact CG1-CG2 4.44Å
102	S	23	Very low	27.1	Very low	95 Å²	95	129.5 Å²	129.5	66%	0.664	77%	0.77	S	S	*	*			cis	-170.6	-170.3	-15.4	61.7	0	0	0	0	113.2
103	R	25.9	Very low	27.2	Very low	249 Å²	249	129.3 Å²	129.3	94%	0.94	77%	0.765	S	S	*	*			trans	90.6	143.7	170.8	-54.6	179.8	177.3	-164.5	-2.2	116.8
104	G	23.6	Very low	26.3	Very low	69 Å²	69	131.2 Å²	131.2	71%	0.711	76%	0.764	S	S	*	*			cis	-167.7	144.4	-7.5	0	0	0	0	0	110.2
105	A	23.8	Very low	26.5	Very low	102 Å²	102	132 Å²	132	84%	0.843	75%	0.754	S	S	*	*				68	139.8	90.3	0	0	0	0	0	113.9
106	V	23.1	Very low	26.5	Very low	126 Å²	126	133 Å²	133	76%	0.764	74%	0.743	S	S	*	*			cis	-149.9	140.5	25.6	-177.2	0	0	0	0	107.2
107	L	23.8	Very low	26.3	Very low	143 Å²	143	132.4 Å²	132.4	75%	0.749	74%	0.738	S	S	*	*				48	164.2	81.6	-81.8	167	0	0	0	116	R109	L107-R109 HydrophobicContact CD2-CB 4.1Å
108	P	36.1	Very low	26	Very low	116 Å²	116	134.3 Å²	134.3	75%	0.753	74%	0.736	S	S	*	*			cis	-115.9	-177.6	-7.6	29.1	-7.1	0	0	0	113
109	R	27.3	Very low	26	Very low	183 Å²	183	138.3 Å²	138.3	69%	0.691	74%	0.739	S	S	*	*			cis	102.2	122.6	7.3	-154.6	-163.2	-159.6	-147.2	-1.5	117.8	L107 E111	L107-R109 HydrophobicContact CD2-CB 4.1Å; R109-E111 HydrophobicContact CG-CG 4.41Å; R109-E111 IonicContact CZ-OE1 3.82Å; R109-E111 IonicContact NE-OE1 2.85Å; R109-E111 IonicContact NH1-OE1 2.75Å; R109-E111 PolarHBondContact NH1-OE1 3.04Å; R109-E111 IonicContact NH2-OE1 2.99Å
110	L	23.5	Very low	26.1	Very low	160 Å²	160	137.9 Å²	137.9	84%	0.838	73%	0.73	S	S	*	*			trans	-160.5	126.2	156.4	-95	141.8	0	0	0	104.7
111	E	29	Very low	26.2	Very low	123 Å²	123	143.6 Å²	143.6	58%	0.575	73%	0.729	S	S	*	*			cis	83.4	146.6	34.4	-60	-160.3	-179.4	0	0	115	R109	R109-E111 HydrophobicContact CG-CG 4.41Å; R109-E111 IonicContact CZ-OE1 3.82Å; R109-E111 IonicContact NE-OE1 2.85Å; R109-E111 IonicContact NH1-OE1 2.75Å; R109-E111 PolarHBondContact NH1-OE1 3.04Å; R109-E111 IonicContact NH2-OE1 2.99Å
112	Q	28.5	Very low	26.3	Very low	147 Å²	147	145.9 Å²	145.9	69%	0.687	73%	0.729	S	S	*	*			cis	-123.3	-155.5	10.1	-54.9	172	32.5	0	0	110.8
113	Q	25.5	Very low	26.3	Very low	149 Å²	149	145.5 Å²	145.5	70%	0.696	73%	0.731	S	S	*	*			cis	-160.7	142.3	-2.4	-143.9	-174.1	67.5	0	0	111.4
114	H	28.9	Very low	26.2	Very low	153 Å²	153	138.2 Å²	138.2	71%	0.708	72%	0.718	S	S	*	*			trans	39.7	154.5	133.3	-66.6	50.6	0	0	0	123.2
115	E	26.9	Very low	26.1	Very low	136 Å²	136	143.3 Å²	143.3	64%	0.636	73%	0.725	S	S	*	*			cis	-159.9	151	5.4	-134.4	178.3	-178.9	0	0	116.5
116	Q	25.8	Very low	26.1	Very low	116 Å²	116	144.2 Å²	144.2	54%	0.542	72%	0.721	S	S	.	*			trans	49.8	159.9	144.8	-80.3	167.6	41.8	0	0	122.8
117	K	26.5	Very low	26.1	Very low	166 Å²	166	143.9 Å²	143.9	72%	0.722	72%	0.719	S	S	*	*			cis	-151.7	169.3	14.2	-134.4	150.4	-175.4	144.9	0	113.3
118	H	27.2	Very low	26	Very low	165 Å²	165	145.7 Å²	145.7	76%	0.764	72%	0.724	S	S	*	*			trans	-76.1	-174.6	-170.2	-37.4	-76.1	0	0	0	114.8
119	I	28.4	Very low	25.4	Very low	154 Å²	154	146 Å²	146	79%	0.79	72%	0.723	S	S	*	*			cis	-166	178.9	23.1	-142.8	177.3	0	0	0	108.5
120	I	26.2	Very low	25.2	Very low	138 Å²	138	142.3 Å²	142.3	71%	0.708	73%	0.725	S	S	*	*			cis	-143.2	-101.5	1.6	-168.6	163.6	0	0	0	115.1
121	R	24.8	Very low	25.2	Very low	193 Å²	193	141.7 Å²	141.7	73%	0.728	73%	0.728	S	S	*	*			trans	-161.7	-179.3	-161.2	-63.6	-175.5	179.2	160.9	-2.3	110.6
122	F	23.9	Very low	24.9	Very low	181 Å²	181	142.4 Å²	142.4	79%	0.794	74%	0.735	S	S	*	*			cis	-155.7	-173.8	26.4	-116.9	-61.7	0	0	0	113.7
123	A	23.8	Very low	24.6	Very low	86 Å²	86	142.7 Å²	142.7	71%	0.711	74%	0.74	S	S	*	*			trans	-94.1	-166.2	-178.1	0	0	0	0	0	112.2
124	S	23.3	Very low	24.5	Very low	96 Å²	96	144.9 Å²	144.9	67%	0.671	75%	0.751	S	S	*	*			cis	-176.1	159.6	26.1	55.5	0	0	0	0	114.5
125	M	21.9	Very low	24.4	Very low	176 Å²	176	143.8 Å²	143.8	87%	0.867	75%	0.754	S	S	*	*			trans	64.8	165.7	146.3	-75.1	-175.6	156.6	0	0	118.9
126	V	23.2	Very low	24.1	Very low	122 Å²	122	143.5 Å²	143.5	74%	0.739	77%	0.766	S	S	*	*			cis	-152.9	170.5	-20.6	122.2	0	0	0	0	110.2
127	T	22.7	Very low	24	Very low	119 Å²	119	142.3 Å²	142.3	73%	0.73	78%	0.776	S	S	*	*			trans	-76.9	162.6	176.3	46	0	0	0	0	116.1
128	E	22.9	Very low	24.5	Very low	181 Å²	181	140.1 Å²	140.1	85%	0.846	78%	0.778	S	S	*	*			trans	146.1	158.4	145.4	-82.5	-159.8	161.8	0	0	111.2
129	V	23.6	Very low	24.5	Very low	121 Å²	121	138.2 Å²	138.2	73%	0.733	78%	0.781	S	S	*	*			cis	-154.5	167.1	-24.8	126.2	0	0	0	0	109.5
130	S	22.5	Very low	24.9	Very low	107 Å²	107	137.3 Å²	137.3	75%	0.748	79%	0.786	S	S	*	*			trans	-56.2	161.5	-177.1	-42.7	0	0	0	0	118.8
131	V	22.9	Very low	24.9	Very low	146 Å²	146	134 Å²	134	89%	0.885	79%	0.787	S	S	*	*			trans	-159.3	171.7	137.5	134	0	0	0	0	110.8
132	L	22.6	Very low	25	Very low	138 Å²	138	134.4 Å²	134.4	72%	0.723	80%	0.797	S	S	*	*			trans	-100.4	162.2	-157.3	-86	76.5	0	0	0	117.4
133	L	24	Very low	25.3	Very low	153 Å²	153	129.1 Å²	129.1	80%	0.801	79%	0.793	S	S	*	*			trans	59	122.7	146	-72.7	162.7	0	0	0	120.8
134	Q	21.9	Very low	25.5	Very low	196 Å²	196	130.7 Å²	130.7	92%	0.916	80%	0.799	S	S	*	*				-163.2	-170.9	97.7	-143.9	164.8	-13.2	0	0	111.6
135	V	27	Very low	26.1	Very low	129 Å²	129	130.7 Å²	130.7	78%	0.782	80%	0.795	S	S	*	*			trans	-104.5	132.2	-164	174.6	0	0	0	0	112.6
136	C	21.2	Very low	27.1	Very low	131 Å²	131	123.7 Å²	123.7	89%	0.885	76%	0.761	S	S	*	*			trans	-170.5	166.5	142.6	-104.7	0	0	0	0	112
137	A	24	Very low	27.7	Very low	90 Å²	90	121.7 Å²	121.7	74%	0.744	75%	0.749	S	S	*	*			trans	-148.4	167.1	174.3	0	0	0	0	0	110.2
138	P	35.9	Very low	28.5	Very low	120 Å²	120	120.7 Å²	120.7	78%	0.779	75%	0.747	S	S	*	*			cis	-104.7	-178.6	-49.3	39.1	-29.9	0	0	0	110.4
139	P	27.5	Very low	29.5	Very low	126 Å²	126	115.7 Å²	115.7	82%	0.818	72%	0.724	S	S	*	*				-134.7	168.9	125.4	37.3	-29.1	0	0	0	114.2
140	C	37.4	Very low	30.3	Very low	134 Å²	134	113.9 Å²	113.9	91%	0.905	71%	0.707	S	S	*	*			trans	-67.3	130.1	-177.8	-170.5	0	0	0	0	112.3
141	G	25.1	Very low	31.1	Very low	69 Å²	69	119 Å²	119	71%	0.711	71%	0.71	S	S	*	*			trans	-112.9	130.4	178.2	0	0	0	0	0	112.5
142	Q	28.8	Very low	31.7	Very low	202 Å²	202	115.3 Å²	115.3	94%	0.944	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-71.9	132.8	-178.3	-65.7	173.1	-16.5	0	0	111.9
143	G	28.5	Very low	32.4	Very low	70 Å²	70	116.7 Å²	116.7	72%	0.722	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-86.2	128.1	171.4	0	0	0	0	0	111.7	T145	G143-T145 PolarHBondContact O-N 3.45Å
144	S	28.5	Very low	32.6	Very low	118 Å²	118	113.2 Å²	113.2	83%	0.825	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-70.5	124.3	178.3	51	0	0	0	0	112.7
145	T	36	Very low	32.8	Very low	97 Å²	97	110.7 Å²	110.7	60%	0.595	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-88	167.8	178.9	32.5	0	0	0	0	113.2	G143 V147 E522	G143-T145 PolarHBondContact O-N 3.45Å; T145-V147 VanDerWaalsContact C-N 3.25Å; T145-V147 PolarHBondContact O-N 3.31Å; T145-E522 WeakPolarHBondContact CB-OE1 3.46Å
146	L	42.4	Very low	32.8	Very low	28 Å²	28	111.1 Å²	111.1	15%	0.147	71%	0.707	C	S	.	*	S	Bend	trans	-83.6	9.5	-163.2	-67	131.4	0	0	0	115	S148 M149 N451 E522	L146-S148 PolarHBondContact O-N 2.63Å; L146-M149 HydrophobicContact CD2-CE 4.12Å; L146-M149 HydrophobicContact CD2-SD 3.85Å; L146-M149 PolarHBondContact O-N 2.75Å; L146-N451 WeakPolarHBondContact CD1-ND2 3.17Å; L146-N451 VanDerWaalsContact CD1-OD1 3.25Å; L146-N451 WeakPolarHBondContact CD1-OD1 3.32Å; L146-N451 VanDerWaalsContact CD2-OD1 3.24Å; L146-N451 WeakPolarHBondContact CD2-OD1 3.42Å; L146-E522 HydrophobicContact CD1-CG 4.13Å; L146-E522 PolarHBondContact N-OE1 2.96Å
147	V	36.5	Very low	33	Very low	81 Å²	81	110 Å²	110	49%	0.491	70%	0.701	S	S	.	*	T	Hydrogen-bonded Turn	trans	-53.9	-30.9	-164.7	-175.1	0	0	0	0	114.3	T145 N524	T145-V147 VanDerWaalsContact C-N 3.25Å; T145-V147 PolarHBondContact O-N 3.31Å; V147-N524 PolarHBondContact O-ND2 3.18Å
148	S	39.3	Very low	33	Very low	97 Å²	97	118 Å²	118	68%	0.678	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-16.9	-173.3	57.8	0	0	0	0	116	L146	L146-S148 PolarHBondContact O-N 2.63Å
149	M	44.6	Very low	32.4	Very low	76 Å²	76	115.8 Å²	115.8	37%	0.374	71%	0.711	S	S	.	*	S	Bend	trans	-83.4	-29.3	-159.1	-59.1	-175.7	-172.7	0	0	115.2	L146 Y454	L146-M149 HydrophobicContact CD2-CE 4.12Å; L146-M149 HydrophobicContact CD2-SD 3.85Å; L146-M149 PolarHBondContact O-N 2.75Å; M149-Y454 HydrophobicContact CE-CD1 4.25Å; M149-Y454 HydrophobicContact CE-CE1 3.6Å; M149-Y454 HydrophobicContact SD-CD1 3.87Å; M149-Y454 HydrophobicContact SD-CE1 3.27Å; M149-Y454 WeakPolarHBondContact SD-CE1 3.29Å; M149-Y454 HydrophobicContact SD-CE2 4.18Å
150	F	40.6	Very low	32.4	Very low	83 Å²	83	122 Å²	122	36%	0.364	72%	0.718	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.3	-4.6	-171.4	-66.3	-85.2	0	0	0	114.7	G152 N524	F150-G152 VanDerWaalsContact C-N 3.27Å; F150-G152 PolarHBondContact O-N 2.68Å; F150-N524 HydrophobicContact CB-CB 3.91Å; F150-N524 HydrophobicContact CD2-CB 3.67Å; F150-N524 WeakPolarHBondContact CD2-O 3.3Å; F150-N524 HydrophobicContact CG-CB 4Å; F150-N524 WeakPolarHBondContact CG-O 3.45Å
151	R	38.5	Very low	31.7	Very low	215 Å²	215	119.3 Å²	119.3	81%	0.811	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	4.1	179.7	-70.1	-171.4	172.3	-160	-1.4	114.3
152	G	36.2	Very low	31.6	Very low	68 Å²	68	122.4 Å²	122.4	70%	0.701	72%	0.718	S	S	*	*			trans	-97.1	2.1	-163.4	0	0	0	0	0	118	F150	F150-G152 VanDerWaalsContact C-N 3.27Å; F150-G152 PolarHBondContact O-N 2.68Å
153	M	36.3	Very low	32.1	Very low	168 Å²	168	118.9 Å²	118.9	83%	0.828	71%	0.713	S	S	*	*			trans	-123.8	91	-176.7	-67.1	-177.1	71.3	0	0	111.1
154	G	29	Very low	31.9	Very low	79 Å²	79	119.1 Å²	119.1	81%	0.814	71%	0.708	S	S	*	*			trans	-83.1	138.8	179.5	0	0	0	0	0	113.1
155	V	25.4	Very low	31.7	Very low	143 Å²	143	120.9 Å²	120.9	87%	0.867	71%	0.713	S	S	*	*			trans	-108.8	116.4	163.9	176.7	0	0	0	0	107.5
156	T	26.9	Very low	31	Very low	138 Å²	138	119.5 Å²	119.5	85%	0.847	72%	0.718	S	S	*	*			trans	-95.3	119.5	174.1	39.3	0	0	0	0	110.3
157	S	24.9	Very low	30.2	Very low	108 Å²	108	130.6 Å²	130.6	76%	0.755	76%	0.758	S	S	*	*			trans	-102.4	133.1	171.7	53.4	0	0	0	0	110.6
158	W	25	Very low	29.5	Very low	259 Å²	259	129.9 Å²	129.9	98%	0.981	77%	0.767	S	S	*	*			trans	-126	142.8	163.7	-89.2	51.1	0	0	0	107.6
159	G	23.7	Very low	28.8	Very low	72 Å²	72	134.4 Å²	134.4	74%	0.742	78%	0.777	S	S	*	*			trans	176.6	154.1	176.9	0	0	0	0	0	114.2
160	R	27	Very low	27.9	Very low	257 Å²	257	136 Å²	136	97%	0.97	80%	0.796	S	S	*	*			trans	-174.8	153.2	163.9	-105.4	173.3	-170.9	-97	1.8	107.9
161	G	23.3	Very low	27.1	Very low	78 Å²	78	135.6 Å²	135.6	80%	0.804	82%	0.816	S	S	*	*			trans	130.7	97	168.2	0	0	0	0	0	115.2
162	T	22.4	Very low	26.5	Very low	134 Å²	134	133.2 Å²	133.2	82%	0.822	82%	0.819	S	S	*	*			trans	-138.6	169.7	165.7	48	0	0	0	0	108.2
163	P	40.2	Very low	26	Very low	128 Å²	128	137.5 Å²	137.5	83%	0.831	83%	0.826	S	S	*	*			cis	-103.6	-125.9	-12.4	19.2	5.5	0	0	0	108.9
164	A	23.3	Very low	25.4	Very low	75 Å²	75	133.1 Å²	133.1	62%	0.62	82%	0.823	S	S	*	*			cis	-164.8	151.6	-4.4	0	0	0	0	0	111.8
165	V	23.5	Very low	25.3	Very low	154 Å²	154	138.3 Å²	138.3	93%	0.933	83%	0.827	S	S	*	*			trans	66	142.8	162.6	-172.8	0	0	0	0	115.7
166	G	23.2	Very low	25.4	Very low	68 Å²	68	137.8 Å²	137.8	70%	0.701	82%	0.823	S	S	*	*			cis	-177.3	-156.7	-1.2	0	0	0	0	0	112.8
167	R	23.8	Very low	25.3	Very low	262 Å²	262	140 Å²	140	99%	0.989	82%	0.821	S	S	*	*			trans	-29.5	151.5	177.9	-56.7	175.2	176.9	-155.6	-0.7	116.7
168	G	22.6	Very low	25.4	Very low	65 Å²	65	139.9 Å²	139.9	67%	0.67	82%	0.816	S	S	*	*			cis	154.9	-176.3	3.4	0	0	0	0	0	111.3
169	E	25.1	Very low	25.4	Very low	193 Å²	193	136.5 Å²	136.5	90%	0.902	81%	0.811	S	S	*	*			trans	64.8	170.4	167.7	-60.6	-173.4	131.4	0	0	117.7
170	S	24.7	Very low	25.5	Very low	108 Å²	108	136 Å²	136	76%	0.755	81%	0.806	S	S	*	*			cis	-169.7	144.1	-44.5	-85.1	0	0	0	0	109.5
171	G	24.3	Very low	25.4	Very low	76 Å²	76	129.8 Å²	129.8	78%	0.784	80%	0.802	S	S	*	*			trans	75	171.9	166.2	0	0	0	0	0	117
172	D	25.1	Very low	25.5	Very low	164 Å²	164	133.7 Å²	133.7	88%	0.877	80%	0.803	S	S	*	*			cis	-153.2	178.2	-11.1	-156.1	9.3	0	0	0	112.1
173	D	26.3	Very low	25.6	Very low	158 Å²	158	133.3 Å²	133.3	85%	0.845	80%	0.801	S	S	*	*			trans	-65.7	165.8	-170.1	-110.4	-36.9	0	0	0	117.7
174	G	24.4	Very low	24.8	Very low	76 Å²	76	130 Å²	130	78%	0.784	79%	0.79	S	S	*	*			trans	179.2	86.6	171.4	0	0	0	0	0	117.2
175	Q	27.3	Very low	24.9	Very low	188 Å²	188	133.9 Å²	133.9	88%	0.879	80%	0.799	S	S	*	*			trans	-105.8	145.6	165.5	-76.1	-166.3	7.3	0	0	112.8
176	V	25.6	Very low	25	Very low	132 Å²	132	132.2 Å²	132.2	80%	0.8	79%	0.79	S	S	*	*			trans	164.4	116.4	143.1	148.4	0	0	0	0	107.8
177	K	24.8	Very low	25	Very low	185 Å²	185	136.3 Å²	136.3	80%	0.804	80%	0.801	S	S	*	*				72.9	121.3	67.1	-145.6	-173.2	-168.2	179.2	0	111.5
178	V	27.4	Very low	25.1	Very low	105 Å²	105	128.3 Å²	128.3	64%	0.636	79%	0.791	S	S	*	*				173.5	142.8	91.4	148.7	0	0	0	0	112.8
179	Q	26.3	Very low	25.2	Very low	189 Å²	189	133.1 Å²	133.1	88%	0.883	80%	0.798	S	S	*	*			trans	45.1	158.6	154.8	-69.7	164.2	-102.7	0	0	123.2
180	G	25	Very low	25.3	Very low	61 Å²	61	132.2 Å²	132.2	63%	0.629	79%	0.794	S	S	*	*			cis	164.8	168.1	-8.8	0	0	0	0	0	116.2
181	S	24.6	Very low	25.2	Very low	127 Å²	127	130.5 Å²	130.5	89%	0.888	79%	0.793	S	S	*	*			trans	62.1	163.1	169	58.6	0	0	0	0	120.8
182	L	24.9	Very low	25.3	Very low	159 Å²	159	131.9 Å²	131.9	83%	0.832	80%	0.797	S	S	*	*			cis	-174.6	169	-32.2	-172.4	66.3	0	0	0	109.2
183	V	25.6	Very low	25.2	Very low	127 Å²	127	127.7 Å²	127.7	77%	0.77	79%	0.793	S	S	*	*			trans	78	146.6	166	-167	0	0	0	0	115.9	L185	V183-L185 HydrophobicContact CG1-CD1 4.48Å
184	G	24	Very low	25.1	Very low	59 Å²	59	127.6 Å²	127.6	61%	0.608	79%	0.787	S	S	*	*			cis	153.7	164.7	-11.3	0	0	0	0	0	114.5
185	L	24.9	Very low	25.1	Very low	156 Å²	156	134.7 Å²	134.7	82%	0.817	79%	0.79	S	S	*	*			trans	66.6	139.4	-177.2	-62.8	94.5	0	0	0	116	V183	V183-L185 HydrophobicContact CG1-CD1 4.48Å
186	T	24.3	Very low	25	Very low	119 Å²	119	128.9 Å²	128.9	73%	0.73	78%	0.781	S	S	*	*			cis	95.3	115.8	13.8	71.5	0	0	0	0	118.5
187	T	24.4	Very low	24.9	Very low	154 Å²	154	130.6 Å²	130.6	95%	0.945	79%	0.786	S	S	*	*			trans	-162.1	151	147.6	-16.7	0	0	0	0	111.5
188	A	26.4	Very low	25	Very low	93 Å²	93	126.4 Å²	126.4	77%	0.769	78%	0.779	S	S	*	*			trans	-161.8	130.2	171.7	0	0	0	0	0	111.9
189	M	24.4	Very low	25	Very low	167 Å²	167	130.1 Å²	130.1	82%	0.823	79%	0.792	S	S	*	*			trans	-166.2	165.8	164.8	-75.7	-155.8	79.3	0	0	109.5
190	Q	26.4	Very low	25	Very low	173 Å²	173	124.6 Å²	124.6	81%	0.808	79%	0.785	S	S	*	*			cis	-170.1	147.8	-42.2	-166	-179.6	61.7	0	0	109.5
191	G	23.3	Very low	25.1	Very low	73 Å²	73	132.8 Å²	132.8	75%	0.753	80%	0.797	S	S	*	*			trans	86.8	169	159.7	0	0	0	0	0	118
192	A	25	Very low	25.2	Very low	105 Å²	105	134.2 Å²	134.2	87%	0.868	79%	0.792	S	S	*	*			cis	-166	145.7	-18.4	0	0	0	0	0	112.7
193	G	23.7	Very low	25.3	Very low	75 Å²	75	133.2 Å²	133.2	77%	0.773	79%	0.792	S	S	*	*			trans	82.8	168.3	160.4	0	0	0	0	0	118.6
194	H	25.2	Very low	25.5	Very low	156 Å²	156	133.2 Å²	133.2	72%	0.722	79%	0.792	S	S	*	*			cis	-168.9	139.1	-21.7	-148.8	30.2	0	0	0	112.1
195	R	24.5	Very low	25.6	Very low	225 Å²	225	134 Å²	134	85%	0.849	80%	0.8	S	S	*	*			trans	65	155.1	164.9	-55	175.9	-174	-159.3	-0.6	117.8
196	G	23.9	Very low	25.7	Very low	67 Å²	67	134 Å²	134	69%	0.691	80%	0.8	S	S	*	*			cis	172.3	161.6	-10.9	0	0	0	0	0	114.2
197	D	24.7	Very low	25.7	Very low	168 Å²	168	131.5 Å²	131.5	90%	0.898	80%	0.798	S	S	*	*			trans	61.7	159.9	156.7	-72.7	-14.9	0	0	0	122.6
198	S	26.8	Very low	25.8	Very low	96 Å²	96	135.7 Å²	135.7	67%	0.671	80%	0.797	S	S	*	*			cis	-172.7	176.1	-30.9	-165	0	0	0	0	111.4
199	M	26.8	Very low	25.8	Very low	184 Å²	184	135.7 Å²	135.7	91%	0.906	80%	0.796	S	S	*	*			trans	62.5	136.5	169.9	-64.4	-169	173.7	0	0	117.5
200	G	26	Very low	25.9	Very low	72 Å²	72	132.6 Å²	132.6	74%	0.742	80%	0.797	S	S	*	*			cis	-172.8	-174.3	-2.5	0	0	0	0	0	107.9
201	R	26.8	Very low	26	Very low	233 Å²	233	132.3 Å²	132.3	88%	0.879	80%	0.8	S	S	*	*			cis	-156.1	167.5	1.6	-96.9	-175.5	168.6	-179.9	-3.5	105.6
202	M	26.4	Very low	26.5	Very low	158 Å²	158	134.4 Å²	134.4	78%	0.778	80%	0.801	S	S	*	*			cis	172.9	142.4	-21.4	170	177	171	0	0	106
203	V	27.6	Very low	26.6	Very low	138 Å²	138	137.7 Å²	137.7	84%	0.836	80%	0.798	S	S	*	*			trans	167	170	149.3	151.3	0	0	0	0	111.4
204	V	29.5	Very low	26.7	Very low	127 Å²	127	142.3 Å²	142.3	77%	0.77	80%	0.804	S	S	*	*			trans	-86.3	154.6	-175.3	178.5	0	0	0	0	111.5
205	G	25.6	Very low	26.7	Very low	75 Å²	75	138.2 Å²	138.2	77%	0.773	80%	0.804	S	S	*	*			cis	144.8	-170.9	6.4	0	0	0	0	0	109.8
206	L	27.2	Very low	26.9	Very low	155 Å²	155	134.8 Å²	134.8	81%	0.812	81%	0.808	S	S	*	*			cis	-165.6	122.4	-12.1	-176	158.3	0	0	0	109.8
207	G	24.3	Very low	26.9	Very low	67 Å²	67	135.2 Å²	135.2	69%	0.691	81%	0.813	S	S	*	*			trans	161.4	115.4	170.4	0	0	0	0	0	111.8
208	R	27.8	Very low	27	Very low	243 Å²	243	139.3 Å²	139.3	92%	0.917	82%	0.815	S	S	*	*				70.5	129.1	66.1	-72.5	-166.7	176.1	-158.8	0.7	113.9
209	A	26.5	Very low	26.8	Very low	92 Å²	92	138.1 Å²	138.1	76%	0.76	82%	0.818	S	S	*	*			cis	-166.1	168.9	-9.5	0	0	0	0	0	113.3
210	A	26.3	Very low	26.7	Very low	102 Å²	102	138.3 Å²	138.3	84%	0.843	82%	0.817	S	S	*	*			trans	73.9	123.2	149.7	0	0	0	0	0	122.3
211	L	28.8	Very low	26.7	Very low	167 Å²	167	142.5 Å²	142.5	87%	0.874	82%	0.82	S	S	*	*			trans	-107.4	150.6	151.5	-95.2	157.5	0	0	0	108.3
212	P	33.8	Very low	26.6	Very low	117 Å²	117	140.9 Å²	140.9	76%	0.76	82%	0.82	S	S	*	*			trans	-99.6	167	154.1	35.6	-29.3	0	0	0	112
213	Q	25.8	Very low	27.7	Very low	174 Å²	174	138.8 Å²	138.8	81%	0.813	82%	0.818	S	S	*	*			trans	-116.4	-177.9	177.2	-72.4	-162.8	1.1	0	0	112.2
214	L	26.7	Very low	27.5	Very low	172 Å²	172	139.1 Å²	139.1	90%	0.901	82%	0.82	S	S	*	*			trans	80.6	148.8	167.8	-58	125.2	0	0	0	115.4
215	G	24.8	Very low	27.4	Very low	70 Å²	70	138 Å²	138	72%	0.722	82%	0.818	S	S	*	*			cis	-156.6	-178.6	3.5	0	0	0	0	0	113.9
216	V	28.7	Very low	28.2	Very low	154 Å²	154	139.5 Å²	139.5	93%	0.933	81%	0.814	S	S	*	*			trans	-98	136.5	-178.8	175.6	0	0	0	0	110.5
217	G	24.2	Very low	28.2	Very low	76 Å²	76	137.8 Å²	137.8	78%	0.784	81%	0.81	S	S	*	*			trans	-143.4	132.6	171.8	0	0	0	0	0	112.4
218	R	26	Very low	28.4	Very low	254 Å²	254	139.6 Å²	139.6	96%	0.958	81%	0.812	S	S	*	*			trans	-114.2	144.9	168	-77.4	178.1	166.7	-178	-3.7	108.4
219	G	23.2	Very low	28.4	Very low	70 Å²	70	134.5 Å²	134.5	72%	0.722	80%	0.803	S	S	*	*			trans	138	94.1	147.4	0	0	0	0	0	119.4
220	Q	25.3	Very low	28.9	Very low	189 Å²	189	135.2 Å²	135.2	88%	0.883	80%	0.8	S	S	*	*				72.3	162.4	117.3	-141.9	175.1	5	0	0	121.8
221	I	25.7	Very low	28.9	Very low	159 Å²	159	139 Å²	139	82%	0.815	80%	0.8	S	S	*	*			trans	92.1	156.4	164.5	-58.3	174.3	0	0	0	116.5
222	K	24.3	Very low	29.1	Very low	200 Å²	200	141.1 Å²	141.1	87%	0.87	80%	0.802	S	S	*	*			trans	-121.5	173.9	-156.5	-107.1	-168.8	175.8	-176.1	0	112.3
223	P	48.3	Very low	28.8	Very low	114 Å²	114	140.1 Å²	140.1	74%	0.74	80%	0.804	S	S	*	*			trans	-102.6	178.1	-157.4	41.3	-39.6	0	0	0	115.8
224	V	23.9	Very low	29.1	Very low	145 Å²	145	137.9 Å²	137.9	88%	0.879	81%	0.805	S	S	*	*			trans	-129.1	151.5	159.3	-178.4	0	0	0	0	108.9
225	S	27.5	Very low	29.7	Very low	104 Å²	104	138 Å²	138	73%	0.727	81%	0.805	S	S	*	*			trans	-103.2	-165.8	-178.3	53.5	0	0	0	0	111.9
226	P	43.7	Very low	29.9	Very low	106 Å²	106	140.2 Å²	140.2	69%	0.688	81%	0.81	S	S	*	*				-147.1	164.5	75.4	41.2	-23.3	0	0	0	116.6
227	T	26.4	Very low	30.5	Very low	118 Å²	118	139 Å²	139	72%	0.724	81%	0.805	S	S	*	*			trans	43.2	138.6	146.1	53.1	0	0	0	0	120.7
228	S	28.1	Very low	32.1	Very low	105 Å²	105	140.1 Å²	140.1	73%	0.734	80%	0.798	S	S	*	*			cis	-179.9	171.7	14.9	31.5	0	0	0	0	108.3
229	D	29	Very low	32.1	Very low	136 Å²	136	137 Å²	137	73%	0.727	79%	0.794	S	S	*	*			cis	-178	-171.9	-35.5	-110.6	-73.2	0	0	0	105
230	P	35.9	Very low	33.2	Very low	107 Å²	107	138.2 Å²	138.2	70%	0.695	79%	0.789	S	S	*	*			cis	-124	157.5	-0.6	32.9	-13	0	0	0	117.1
231	Q	27	Very low	33.1	Very low	183 Å²	183	137.7 Å²	137.7	86%	0.855	79%	0.787	S	S	*	*			trans	64.3	122.5	145.3	-69.6	176.4	-1.8	0	0	121.6
232	K	32.1	Very low	33.2	Very low	210 Å²	210	135.7 Å²	135.7	91%	0.913	78%	0.782	S	S	*	*			trans	-112.2	165.8	157.5	-63.8	173.4	177.8	173.8	0	109.1
233	A	29.1	Very low	33.2	Very low	97 Å²	97	132.3 Å²	132.3	80%	0.802	78%	0.778	S	S	*	*			trans	-133.8	154.6	157.6	0	0	0	0	0	111.4
234	P	32.3	Very low	32.8	Very low	127 Å²	127	132.1 Å²	132.1	83%	0.825	78%	0.777	S	S	*	*			trans	-130.2	-165.7	-156.5	39.2	-18.9	0	0	0	116.1
235	L	37.9	Very low	32.9	Very low	175 Å²	175	131.1 Å²	131.1	92%	0.916	77%	0.771	S	S	*	*			trans	-72.6	152.5	-172.1	-56.4	129.2	0	0	0	115.7
236	S	28.5	Very low	32.8	Very low	116 Å²	116	131.9 Å²	131.9	81%	0.811	77%	0.771	S	S	*	*			trans	-161.2	161.2	155.4	48.8	0	0	0	0	113
237	P	42	Very low	32.1	Very low	128 Å²	128	134.9 Å²	134.9	83%	0.831	78%	0.776	S	S	*	*			trans	-124.5	-137.4	-162.4	47.1	-28.8	0	0	0	114.1
238	P	58.5	Low	32	Very low	100 Å²	100	135.9 Å²	135.9	65%	0.649	78%	0.777	S	S	*	*			trans	-114.4	171.3	-141.9	42.5	-26.3	0	0	0	117.2
239	H	25.9	Very low	31.7	Very low	187 Å²	187	138 Å²	138	87%	0.866	78%	0.779	S	S	*	*			trans	173.3	175.4	139.2	-95.1	-64.7	0	0	0	112.2
240	P	45.9	Very low	32.1	Very low	96 Å²	96	136.4 Å²	136.4	62%	0.623	78%	0.776	S	S	*	*			trans	-122.2	-176.7	-155.7	46	-36.8	0	0	0	117.7
241	E	23.1	Very low	31.5	Very low	178 Å²	178	137.7 Å²	137.7	83%	0.832	78%	0.782	S	S	*	*			trans	69.5	149.6	155.4	-80.6	178.5	-168.5	0	0	119.4
242	V	27.8	Very low	31.8	Very low	117 Å²	117	134.6 Å²	134.6	71%	0.709	78%	0.778	S	S	*	*			cis	-165.4	142.9	-21.3	102.1	0	0	0	0	112.3
243	V	23.6	Very low	31.7	Very low	129 Å²	129	132.7 Å²	132.7	78%	0.782	78%	0.776	S	S	*	*			trans	62.3	155.9	156.4	171.3	0	0	0	0	118.8
244	P	40.5	Very low	31.4	Very low	111 Å²	111	134.1 Å²	134.1	72%	0.721	78%	0.781	S	S	*	*			cis	-109.4	-158.8	-11.7	38.3	-22.3	0	0	0	111.3
245	T	26.2	Very low	31.2	Very low	123 Å²	123	133.5 Å²	133.5	76%	0.755	78%	0.779	S	S	*	*			cis	-148.6	-161.9	-8.4	-5.8	0	0	0	0	105.9
246	T	24.9	Very low	30.5	Very low	120 Å²	120	130 Å²	130	74%	0.736	78%	0.776	S	S	*	*			cis	-146	-147.9	9	-25.8	0	0	0	0	110.5
247	Q	28.6	Very low	30.4	Very low	169 Å²	169	133.5 Å²	133.5	79%	0.79	78%	0.779	S	S	*	*			trans	-112.3	167.4	178.9	-68.6	142.4	-53.3	0	0	111
248	D	24.5	Very low	29.7	Very low	140 Å²	140	133.3 Å²	133.3	75%	0.749	78%	0.778	S	S	*	*			cis	-153.9	-173.5	30.9	-132	-44.1	0	0	0	116.3
249	L	23.1	Very low	28.1	Very low	149 Å²	149	138.6 Å²	138.6	78%	0.78	79%	0.791	S	S	*	*			trans	-80	-174.3	-170.2	-74.3	162.3	0	0	0	116.8
250	P	35.8	Very low	28.2	Very low	102 Å²	102	139.5 Å²	139.5	66%	0.662	79%	0.792	S	S	*	*			cis	-140.5	160.2	-33.5	34.3	-14.9	0	0	0	117.8
251	V	24.8	Very low	27.3	Very low	135 Å²	135	144.2 Å²	144.2	82%	0.818	81%	0.806	S	S	*	*			trans	54.2	153.7	133.6	176.3	0	0	0	0	121.1
252	P	33.1	Very low	27.5	Very low	117 Å²	117	141.5 Å²	141.5	76%	0.76	80%	0.795	S	S	*	*			cis	-127	-171.5	5.8	24.5	1.7	0	0	0	117
253	L	29.3	Very low	27.4	Very low	170 Å²	170	142.5 Å²	142.5	89%	0.89	80%	0.801	S	S	*	*			trans	-79.1	158.9	-176.3	-53.8	79.7	0	0	0	115.9
254	S	22.9	Very low	27.7	Very low	128 Å²	128	145 Å²	145	90%	0.895	81%	0.807	S	S	*	*			trans	-145.8	165.2	137.4	-168.3	0	0	0	0	110.5
255	S	28.2	Very low	27.2	Very low	113 Å²	113	147.1 Å²	147.1	79%	0.79	81%	0.807	S	S	*	*			trans	-126.7	134.1	-153.9	61.5	0	0	0	0	116.7
256	A	23.5	Very low	27.4	Very low	102 Å²	102	146 Å²	146	84%	0.843	81%	0.81	S	S	*	*			trans	-167.7	147.7	142.1	0	0	0	0	0	111.8
257	Q	25.4	Very low	28	Very low	190 Å²	190	147.2 Å²	147.2	89%	0.888	82%	0.817	S	S	*	*			trans	-133.4	144.6	159.1	-80.7	-164.4	-6.5	0	0	110.4
258	P	28	Very low	29	Very low	124 Å²	124	149.6 Å²	149.6	81%	0.805	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-82.4	158.9	-174.4	33.2	-36	0	0	0	113.7
259	K	25.9	Very low	30.2	Very low	211 Å²	211	148.9 Å²	148.9	92%	0.917	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-70.4	143.3	174	-64.9	177.1	178.8	176.8	0	111
260	K	27.8	Very low	32.1	Very low	206 Å²	206	148 Å²	148	90%	0.896	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-84.1	134.8	167.7	-84.2	-177.2	172.6	176.4	0	111.1
261	E	25.6	Very low	34.2	Very low	195 Å²	195	146.8 Å²	146.8	91%	0.911	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-75.7	154.1	169.7	-72.1	-174.6	113.6	0	0	112.6
262	M	27.6	Very low	36.8	Very low	121 Å²	121	146.6 Å²	146.6	60%	0.596	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-97	123.6	176.9	-77.9	-176.9	57.1	0	0	111.5	K366	M262-K366 HydrophobicContact CE-CG 4.31Å
263	T	27.1	Very low	39.3	Very low	138 Å²	138	141.5 Å²	141.5	85%	0.847	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-74.7	128	174.6	-24.3	0	0	0	0	111.3
264	M	28.1	Very low	42.1	Very low	181 Å²	181	136.6 Å²	136.6	89%	0.892	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-85.4	141.7	171.3	-72.5	-178.9	62.7	0	0	111.5
265	E	31.3	Very low	45.1	Very low	156 Å²	156	130.8 Å²	130.8	73%	0.729	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-77.6	130.2	178.2	-69.6	166.8	88.8	0	0	110.5	K366	E265-K366 IonicContact OE2-NZ 3.52Å; E265-K366 PolarHBondContact OE2-NZ 3.21Å
266	A	30	Very low	48	Very low	100 Å²	100	130.3 Å²	130.3	83%	0.826	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-67.2	135.8	-173.5	0	0	0	0	0	113.2	R268	A266-R268 PolarHBondContact O-N 3.21Å
267	V	37.2	Very low	51	Low	144 Å²	144	130.9 Å²	130.9	87%	0.873	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-76.5	116	179.7	-179.2	0	0	0	0	110.2
268	R	49.4	Very low	53.6	Low	219 Å²	219	123.4 Å²	123.4	83%	0.826	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-73.2	147.1	170.2	-68.3	-178.8	173.4	-167.2	-6	110.8	A266	A266-R268 PolarHBondContact O-N 3.21Å
269	T	50.8	Low	56.1	Low	126 Å²	126	120.4 Å²	120.4	77%	0.773	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-63.1	144.3	173.1	38.4	0	0	0	0	111.5	I271	T269-I271 PolarHBondContact O-N 2.85Å
270	P	63.4	Low	58.3	Low	130 Å²	130	114.1 Å²	114.1	84%	0.844	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-64.8	132.9	177.9	-21.4	33.5	0	0	0	112.2	N272	P270-N272 PolarHBondContact O-N 2.95Å
271	I	78.6	Confident	60.1	Low	77 Å²	77	105.6 Å²	105.6	40%	0.395	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-73.7	121.6	174.6	-58.5	174.7	0	0	0	108.9	T269 K273 D942 V944	T269-I271 PolarHBondContact O-N 2.85Å; I271-K273 PolarHBondContact O-N 3.1Å; I271-D942 WeakPolarHBondContact CD1-O 3.26Å; I271-V944 HydrophobicContact CG2-CG2 3.55Å
272	N	79.6	Confident	60.9	Low	130 Å²	130	102.2 Å²	102.2	70%	0.695	59%	0.585	S	S	*	*			trans	-75.9	112.5	171	-174	4.3	0	0	0	110.3	P270 T274	P270-N272 PolarHBondContact O-N 2.95Å; N272-T274 PolarHBondContact OD1-N 2.84Å
273	K	86.3	Confident	61.6	Low	10 Å²	10	98.5 Å²	98.5	4%	0.043	57%	0.572	C	S	.	*			trans	-127.7	4.7	179.6	60.1	-178.5	169.4	-170.5	0	114.1	I271 D427 H940 W943 V944 D945 P974	I271-K273 PolarHBondContact O-N 3.1Å; K273-D427 WeakPolarHBondContact CE-OD2 3.36Å; K273-D427 IonicContact NZ-OD1 2.61Å; K273-D427 PolarHBondContact NZ-OD1 2.91Å; K273-D427 VanDerWaalsContact NZ-OD1 3.14Å; K273-D427 IonicContact NZ-OD2 3.96Å; K273-D427 PolarHBondContact NZ-OD2 3.34Å; K273-H940 VanDerWaalsContact NZ-C 3.34Å; K273-H940 PolarHBondContact NZ-O 2.78Å; K273-W943 WeakPolarHBondContact CD-O 3.49Å; K273-W943 PolarHBondContact NZ-O 3.49Å; K273-V944 HydrophobicContact CB-CB 4.34Å; K273-V944 HydrophobicContact CB-CG1 3.95Å; K273-V944 HydrophobicContact CB-CG2 4.34Å; K273-D945 WeakPolarHBondContact CD-OD1 3.35Å; K273-D945 IonicContact NZ-OD1 3.21Å; K273-D945 PolarHBondContact NZ-OD1 3.03Å; K273-P974 WeakPolarHBondContact O-CB 3.44Å; K273-P974 WeakPolarHBondContact O-CG 3.48Å
274	T	86.8	Confident	62	Low	68 Å²	68	94.9 Å²	94.9	42%	0.417	55%	0.55	S	S	.	*			trans	-81.7	122.7	-178.4	-46.3	0	0	0	0	110.4	N272 D935	N272-T274 PolarHBondContact OD1-N 2.84Å; T274-D935 WeakPolarHBondContact CA-OD2 3.19Å
275	G	86.9	Confident	62.2	Low	6 Å²	6	86.3 Å²	86.3	6%	0.062	51%	0.508	C	S	.	.			trans	-78.2	158.4	171.2	0	0	0	0	0	112.7	R623 D935 D975	G275-R623 VanDerWaalsContact C-CZ 3.49Å; G275-R623 VanDerWaalsContact O-CZ 3.25Å; G275-R623 PolarHBondContact O-NE 2.96Å; G275-D935 PolarHBondContact N-OD2 3.23Å; G275-D975 WeakPolarHBondContact CA-OD1 3.42Å
276	T	88.4	Confident	62.7	Low	102 Å²	102	78.9 Å²	78.9	63%	0.626	47%	0.473	S	S	*	.			trans	-114.2	-14	-174.9	67.9	0	0	0	0	113.8	D975	T276-D975 WeakPolarHBondContact CB-OD2 3.47Å; T276-D975 PolarHBondContact N-OD1 2.79Å; T276-D975 PolarHBondContact N-OD2 2.62Å; T276-D975 PolarHBondContact OG1-OD2 3.17Å
277	K	86.1	Confident	63.3	Low	115 Å²	115	74.7 Å²	74.7	50%	0.5	44%	0.437	S	S	.	.			trans	-93	156.9	-173.4	-58.3	-51.4	177.9	-165.9	0	113	R623 D975	K277-R623 PolarHBondContact O-NH1 3.36Å; K277-D975 WeakPolarHBondContact CB-OD1 3.08Å; K277-D975 HydrophobicContact CG-CB 4.16Å; K277-D975 PolarHBondContact N-OD1 2.73Å
278	G	80.9	Confident	63	Low	32 Å²	32	68.2 Å²	68.2	33%	0.33	40%	0.397	S	S	.	.	S	Bend	trans	88.8	165.8	-172.4	0	0	0	0	0	112.2	T624	G278-T624 CarbonylContact C-O 3.51Å; G278-T624 WeakPolarHBondContact CA-O 3.3Å
279	A	79.6	Confident	62.1	Low	61 Å²	61	57.9 Å²	57.9	50%	0.504	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	142	176.6	0	0	0	0	0	109.9	I281 R623 T624	A279-I281 PolarHBondContact O-N 3.07Å; A279-R623 CarbonylContact O-C 3.46Å; A279-R623 VanDerWaalsContact O-CA 3.25Å; A279-R623 WeakPolarHBondContact O-CA 3.5Å; A279-T624 PolarHBondContact N-O 2.65Å; A279-T624 PolarHBondContact O-N 2.98Å
280	P	73.3	Confident	61.3	Low	79 Å²	79	52.1 Å²	52.1	51%	0.513	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	138.5	161.4	28.8	-33.4	0	0	0	108.2	S282	P280-S282 PolarHBondContact O-N 3.16Å
281	I	64.4	Low	59.9	Low	28 Å²	28	50.8 Å²	50.8	14%	0.144	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-67.8	126.3	173.4	-64.5	163.2	0	0	0	106.9	A279 S283 F286 G622 T624 T932	A279-I281 PolarHBondContact O-N 3.07Å; I281-S283 PolarHBondContact O-N 3.38Å; I281-F286 HydrophobicContact CD1-CE2 4.14Å; I281-F286 HydrophobicContact CD1-CZ 3.56Å; I281-G622 PolarHBondContact N-O 2.99Å; I281-T624 VanDerWaalsContact CG1-OG1 3.29Å; I281-T624 WeakPolarHBondContact CG1-OG1 3.28Å; I281-T932 HydrophobicContact CD1-CG2 3.86Å
282	S	44.1	Very low	57.8	Low	123 Å²	123	51.2 Å²	51.2	86%	0.86	31%	0.312	S	S	*	.	S	Bend	trans	-69.2	10.5	-167.5	50.4	0	0	0	0	115	P280	P280-S282 PolarHBondContact O-N 3.16Å
283	S	41.9	Very low	55.6	Low	44 Å²	44	45.7 Å²	45.7	31%	0.308	28%	0.283	S	S	.	.	S	Bend	trans	-155	137.3	169.7	-78.8	0	0	0	0	108.1	I281 S285 W920	I281-S283 PolarHBondContact O-N 3.38Å; S283-S285 PolarHBondContact O-N 3.1Å; S283-S285 PolarHBondContact O-OG 3.45Å; S283-W920 WeakPolarHBondContact CB-O 3.46Å
284	P	34.6	Very low	53.1	Low	61 Å²	61	53.2 Å²	53.2	40%	0.396	32%	0.315	S	S	.	.			trans	-59	134.8	-174.2	26.8	-35.1	0	0	0	109.1	I619 I620 W920	P284-I619 HydrophobicContact CB-CB 4.18Å; P284-I619 HydrophobicContact CB-CG2 3.53Å; P284-I619 HydrophobicContact CG-CB 4.48Å; P284-I619 HydrophobicContact CG-CD1 4.49Å; P284-I619 HydrophobicContact CG-CG2 3.87Å; P284-I619 WeakPolarHBondContact O-CG2 3.34Å; P284-I620 CarbonylContact C-O 3.56Å; P284-I620 VanDerWaalsContact C-O 3.25Å; P284-I620 WeakPolarHBondContact CA-O 3.39Å; P284-I620 WeakPolarHBondContact CB-O 3.48Å; P284-W920 WeakPolarHBondContact O-CB 3.37Å
285	S	32.7	Very low	50.7	Low	1 Å²	1	51 Å²	51	1%	0.007	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-133.8	170.4	-167.2	-69.9	0	0	0	0	109.7	S283 I620 Y918	S283-S285 PolarHBondContact O-N 3.1Å; S283-S285 PolarHBondContact O-OG 3.45Å; S285-I620 PolarHBondContact N-O 2.98Å; S285-I620 CarbonylContact O-C 3.57Å; S285-I620 VanDerWaalsContact O-C 3.27Å; S285-I620 WeakPolarHBondContact O-CA 3.29Å; S285-I620 PolarHBondContact O-N 3.36Å; S285-I620 VanDerWaalsContact O-N 3.12Å; S285-Y918 WeakPolarHBondContact CB-O 3.39Å
286	F	41.2	Very low	48	Very low	0 Å²	0	57.3 Å²	57.3	0%	0	34%	0.339	C	S	.	.			trans	72.7	140.3	-180	-38.1	-49	0	0	0	115.2	I281 L917 Y918 P928 T932 L934	I281-F286 HydrophobicContact CD1-CE2 4.14Å; I281-F286 HydrophobicContact CD1-CZ 3.56Å; F286-L917 HydrophobicContact CB-CD2 3.66Å; F286-L917 HydrophobicContact CD1-CB 3.54Å; F286-L917 HydrophobicContact CD1-CD1 3.99Å; F286-L917 HydrophobicContact CD1-CD2 3.49Å; F286-L917 VanDerWaalsContact CD1-CD2 3.49Å; F286-L917 HydrophobicContact CD1-CG 3.81Å; F286-L917 HydrophobicContact CE1-CB 4.03Å; F286-L917 HydrophobicContact CE1-CD1 4.28Å; F286-L917 HydrophobicContact CE1-CG 4.48Å; F286-L917 HydrophobicContact CG-CD2 3.73Å; F286-Y918 PolarHBondContact N-O 3.17Å; F286-P928 HydrophobicContact CE1-CB 4.26Å; F286-P928 HydrophobicContact CE1-CG 4.19Å; F286-T932 HydrophobicContact CE1-CG2 3.41Å; F286-T932 VanDerWaalsContact CE1-CG2 3.41Å; F286-T932 HydrophobicContact CE2-CG2 4.21Å; F286-T932 HydrophobicContact CZ-CG2 3.17Å; F286-L934 HydrophobicContact CB-CD2 3.91Å; F286-L934 HydrophobicContact CD2-CB 4.1Å; F286-L934 HydrophobicContact CD2-CD1 4.14Å; F286-L934 HydrophobicContact CD2-CD2 4.19Å; F286-L934 HydrophobicContact CD2-CG 4.38Å; F286-L934 HydrophobicContact CG-CB 4.49Å; F286-L934 HydrophobicContact CG-CD2 4.11Å
287	F	43.5	Very low	45.4	Very low	13 Å²	13	53.3 Å²	53.3	6%	0.057	32%	0.317	C	S	.	.			trans	-150.5	116.9	-166.3	-70.4	-82.1	0	0	0	111.6	I617 L618 I619 Y918 F925	F287-I617 HydrophobicContact CB-CG2 3.69Å; F287-I617 HydrophobicContact CD1-CB 3.38Å; F287-I617 HydrophobicContact CD1-CG2 3.34Å; F287-I617 HydrophobicContact CE1-CB 3.75Å; F287-I617 HydrophobicContact CE1-CG2 4.21Å; F287-I617 WeakPolarHBondContact CE1-O 3.45Å; F287-I617 HydrophobicContact CG-CB 4.29Å; F287-I617 HydrophobicContact CG-CG2 3.85Å; F287-L618 WeakPolarHBondContact CA-O 3.45Å; F287-L618 VanDerWaalsContact CD1-C 3.43Å; F287-L618 WeakPolarHBondContact CD1-O 3.17Å; F287-I619 HydrophobicContact CE1-CB 4.05Å; F287-I619 HydrophobicContact CE1-CG1 3.79Å; F287-I619 HydrophobicContact CE1-CG2 4.01Å; F287-I619 HydrophobicContact CE2-CG2 4.2Å; F287-I619 HydrophobicContact CZ-CB 4.12Å; F287-I619 HydrophobicContact CZ-CG1 4.01Å; F287-I619 HydrophobicContact CZ-CG2 3.57Å; F287-Y918 HydrophobicContact CB-CD2 3.97Å; F287-Y918 HydrophobicContact CB-CE2 4.29Å; F287-Y918 AromaticContact CD2-CD2 3.87Å; F287-Y918 HydrophobicContact CD2-CD2 3.87Å; F287-Y918 HydrophobicContact CD2-CG 4.39Å; F287-Y918 HydrophobicContact CG-CD2 4.33Å; F287-F925 HydrophobicContact CD2-CE1 4.31Å; F287-F925 HydrophobicContact CE1-CE1 4.28Å; F287-F925 AromaticContact CE2-CD1 4Å; F287-F925 HydrophobicContact CE2-CD1 4Å; F287-F925 AromaticContact CE2-CE1 3.46Å; F287-F925 HydrophobicContact CE2-CE1 3.46Å; F287-F925 VanDerWaalsContact CE2-CE1 3.46Å; F287-F925 HydrophobicContact CE2-CZ 4.49Å; F287-F925 HydrophobicContact CZ-CD1 4.39Å; F287-F925 AromaticContact CZ-CE1 3.43Å; F287-F925 HydrophobicContact CZ-CE1 3.43Å; F287-F925 VanDerWaalsContact CZ-CE1 3.43Å; F287-F925 HydrophobicContact CZ-CZ 4.13Å
288	E	30.8	Very low	43.1	Very low	7 Å²	7	51.4 Å²	51.4	3%	0.033	31%	0.313	C	S	.	.			trans	-116.2	143	153.2	-173.2	157.6	-123.3	0	0	107.6	K290 K424 L432 S433 L618 L938	E288-K290 PolarHBondContact O-N 3.05Å; E288-K424 WeakPolarHBondContact OE1-CE 3.24Å; E288-K424 IonicContact OE1-NZ 2.77Å; E288-K424 PolarHBondContact OE1-NZ 3.23Å; E288-K424 IonicContact OE2-NZ 2.65Å; E288-L432 WeakPolarHBondContact CG-O 3.32Å; E288-S433 WeakPolarHBondContact OE1-CA 3.15Å; E288-S433 WeakPolarHBondContact OE1-CB 3.41Å; E288-S433 PolarHBondContact OE1-N 2.93Å; E288-S433 PolarHBondContact OE1-OG 2.83Å; E288-L618 WeakPolarHBondContact O-CB 3.38Å; E288-L938 HydrophobicContact CB-CD1 3.84Å; E288-L938 HydrophobicContact CB-CD2 3.85Å
289	V	29.6	Very low	41.3	Very low	3 Å²	3	49.9 Å²	49.9	2%	0.018	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-79.5	96.1	-169.5	174.9	0	0	0	0	109.9	L432 V434 I589 L593 I617	V289-L432 CarbonylContact C-O 3.45Å; V289-L432 PolarHBondContact N-O 2.99Å; V289-L432 CarbonylContact O-C 3.57Å; V289-L432 WeakPolarHBondContact O-CA 3.29Å; V289-L432 VanDerWaalsContact O-CB 3.25Å; V289-L432 WeakPolarHBondContact O-CB 3.38Å; V289-L432 PolarHBondContact O-N 2.93Å; V289-L432 VanDerWaalsContact O-N 3.16Å; V289-V434 HydrophobicContact CB-CB 4.11Å; V289-V434 HydrophobicContact CB-CG2 3.72Å; V289-V434 HydrophobicContact CG1-CG2 3.95Å; V289-V434 HydrophobicContact CG2-CB 3.85Å; V289-V434 HydrophobicContact CG2-CG2 3.98Å; V289-I589 HydrophobicContact CG2-CD1 4.13Å; V289-I589 HydrophobicContact CG2-CG1 4.41Å; V289-I589 HydrophobicContact CG2-CG2 3.44Å; V289-I589 VanDerWaalsContact CG2-CG2 3.44Å; V289-L593 HydrophobicContact CG1-CD1 3.99Å; V289-L593 HydrophobicContact CG1-CD2 3.72Å; V289-L593 HydrophobicContact CG1-CG 4.18Å; V289-I617 HydrophobicContact CG2-CG2 3.98Å
290	K	33.7	Very low	39.7	Very low	5 Å²	5	47.5 Å²	47.5	2%	0.022	28%	0.275	C	S	.	.			trans	-175.2	152.7	142.3	-113.7	174.7	-163.1	174.4	0	117.2	E288 F383 Y431 L432 I613	E288-K290 PolarHBondContact O-N 3.05Å; K290-F383 VanDerWaalsContact CE-CZ 3.49Å; K290-Y431 HydrophobicContact CB-CD1 4.24Å; K290-L432 HydrophobicContact CD-CB 3.64Å; K290-L432 HydrophobicContact CG-CB 4.12Å; K290-I613 HydrophobicContact CG-CG2 4.43Å
291	K	34.8	Very low	38	Very low	102 Å²	102	44.9 Å²	44.9	44%	0.443	26%	0.256	S	S	.	.			trans	-77.1	155.5	152.8	-173.5	174.7	-179.8	179.9	0	110.5	L293 E612 G614	K291-L293 PolarHBondContact O-N 2.84Å; K291-E612 WeakPolarHBondContact CE-OE1 3.46Å; K291-E612 IonicContact NZ-OE1 2.65Å; K291-E612 PolarHBondContact NZ-OE1 2.99Å; K291-E612 IonicContact NZ-OE2 2.7Å; K291-G614 VanDerWaalsContact CB-CA 3.49Å; K291-G614 VanDerWaalsContact CB-N 3.28Å
292	C	33.6	Very low	36.9	Very low	86 Å²	86	44 Å²	44	58%	0.581	25%	0.253	S	S	*	.			trans	-52.4	131.8	177.8	-174.6	0	0	0	0	112.7	K294	C292-K294 PolarHBondContact O-N 3.11Å
293	L	34.8	Very low	36.5	Very low	14 Å²	14	41 Å²	41	7%	0.073	23%	0.227	C	C	.	.			trans	-71.2	92.9	162.6	-77.4	179.4	0	0	0	108.9	K291 L295 Y379 L430 L611	K291-L293 PolarHBondContact O-N 2.84Å; L293-L295 HydrophobicContact CB-CD1 3.77Å; L293-L295 HydrophobicContact CB-CG 4.07Å; L293-L295 HydrophobicContact CD1-CD1 4.23Å; L293-L295 PolarHBondContact O-N 3.37Å; L293-Y379 HydrophobicContact CD1-CD1 4.3Å; L293-Y379 HydrophobicContact CD1-CD2 4.39Å; L293-Y379 HydrophobicContact CD1-CE1 4.44Å; L293-Y379 HydrophobicContact CD1-CG 4.32Å; L293-L430 HydrophobicContact CD1-CB 4.41Å; L293-L430 HydrophobicContact CD1-CD1 4.14Å; L293-L611 HydrophobicContact CD1-CD2 4.31Å; L293-L611 HydrophobicContact CD2-CB 3.73Å; L293-L611 HydrophobicContact CD2-CD2 3.65Å; L293-L611 HydrophobicContact CD2-CG 4.18Å
294	K	32.3	Very low	36	Very low	167 Å²	167	45.7 Å²	45.7	73%	0.726	25%	0.248	S	C	*	.			trans	-75.4	63.2	-179.8	-146.9	-175.1	-172.9	-171	0	111.4	C292 T296	C292-K294 PolarHBondContact O-N 3.11Å; K294-T296 PolarHBondContact O-N 3.11Å
295	L	37.7	Very low	36	Very low	21 Å²	21	49.1 Å²	49.1	11%	0.11	26%	0.264	C	S	.	.			trans	-80	108.4	-173.1	-82.1	161.9	0	0	0	111.5	L293 G297 F299 P370 Y379 L611	L293-L295 HydrophobicContact CB-CD1 3.77Å; L293-L295 HydrophobicContact CB-CG 4.07Å; L293-L295 HydrophobicContact CD1-CD1 4.23Å; L293-L295 PolarHBondContact O-N 3.37Å; L295-G297 VanDerWaalsContact C-N 3.32Å; L295-F299 HydrophobicContact CD1-CE2 4.24Å; L295-F299 HydrophobicContact CD2-CE2 3.8Å; L295-F299 HydrophobicContact CD2-CZ 3.67Å; L295-P370 HydrophobicContact CB-CB 3.53Å; L295-P370 HydrophobicContact CB-CG 3.66Å; L295-P370 HydrophobicContact CD1-CB 3.76Å; L295-P370 HydrophobicContact CG-CB 4.29Å; L295-P370 WeakPolarHBondContact O-CG 3.22Å; L295-Y379 HydrophobicContact CD1-CE1 3.88Å; L295-Y379 WeakPolarHBondContact CD1-OH 2.97Å; L295-L611 HydrophobicContact CD1-CD2 4.39Å; L295-L611 HydrophobicContact CD2-CD2 3.62Å; L295-L611 HydrophobicContact CG-CD2 4.18Å
296	T	30.7	Very low	36.2	Very low	140 Å²	140	58.1 Å²	58.1	86%	0.859	31%	0.305	S	S	*	.			trans	-87.5	3.5	174.4	47.8	0	0	0	0	113.7	K294	K294-T296 PolarHBondContact O-N 3.11Å
297	G	33.9	Very low	36.1	Very low	17 Å²	17	61.8 Å²	61.8	18%	0.175	33%	0.327	C	S	.	.			trans	-109.3	133.1	-171.1	0	0	0	0	0	114.9	L295	L295-G297 VanDerWaalsContact C-N 3.32Å
298	N	37.3	Very low	36.1	Very low	76 Å²	76	66.8 Å²	66.8	41%	0.406	35%	0.354	S	S	.	.			trans	-74.9	117.7	165.4	-83.4	-35.3	0	0	0	110.2	I367	N298-I367 HydrophobicContact CB-CG1 4.43Å; N298-I367 HydrophobicContact CB-CG2 3.7Å; N298-I367 VanDerWaalsContact CG-CG2 3.45Å; N298-I367 VanDerWaalsContact OD1-CG2 3.28Å; N298-I367 WeakPolarHBondContact OD1-CG2 3.3Å
299	F	43.3	Very low	36.6	Very low	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	129.5	-179.5	-74	-85.7	0	0	0	111.3	L295 L338 L368 F378 Y379	L295-F299 HydrophobicContact CD1-CE2 4.24Å; L295-F299 HydrophobicContact CD2-CE2 3.8Å; L295-F299 HydrophobicContact CD2-CZ 3.67Å; F299-L338 HydrophobicContact CD1-CD1 4.17Å; F299-L338 HydrophobicContact CE1-CD1 3.6Å; F299-L338 HydrophobicContact CE2-CD1 4.27Å; F299-L338 HydrophobicContact CZ-CD1 3.65Å; F299-L368 HydrophobicContact CB-CB 4.21Å; F299-L368 PolarHBondContact N-O 3.26Å; F299-L368 VanDerWaalsContact N-O 3.14Å; F299-L368 PolarHBondContact O-N 3.07Å; F299-F378 HydrophobicContact CD1-CD1 4.47Å; F299-F378 HydrophobicContact CD1-CE1 4.24Å; F299-F378 HydrophobicContact CE1-CD1 4Å; F299-F378 AromaticContact CE1-CE1 3.41Å; F299-F378 HydrophobicContact CE1-CE1 3.41Å; F299-F378 VanDerWaalsContact CE1-CE1 3.41Å; F299-F378 AromaticContact CE1-CZ 3.99Å; F299-F378 HydrophobicContact CE1-CZ 3.99Å; F299-F378 AromaticContact CZ-CE1 3.93Å; F299-F378 HydrophobicContact CZ-CE1 3.93Å; F299-Y379 HydrophobicContact CE2-CE1 4.28Å; F299-Y379 WeakPolarHBondContact CE2-OH 2.84Å; F299-Y379 AromaticContact CZ-CE1 3.86Å; F299-Y379 HydrophobicContact CZ-CE1 3.86Å
300	K	45.3	Very low	37.1	Very low	10 Å²	10	74.3 Å²	74.3	4%	0.043	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.3	-171.7	-70.9	163.8	164.5	154.9	0	111.3	Y337 A339 D340 M364 I367	K300-Y337 HydrophobicContact CB-CD1 4.32Å; K300-Y337 HydrophobicContact CD-CD1 4.28Å; K300-Y337 PolarHBondContact N-O 2.81Å; K300-Y337 PolarHBondContact O-N 2.95Å; K300-A339 PolarHBondContact NZ-O 3.08Å; K300-D340 PolarHBondContact NZ-O 3.21Å; K300-M364 HydrophobicContact CB-SD 3.77Å; K300-M364 HydrophobicContact CD-CE 3.8Å; K300-M364 HydrophobicContact CD-SD 3.61Å; K300-M364 HydrophobicContact CG-CE 4.34Å; K300-M364 HydrophobicContact CG-SD 3.46Å; K300-M364 WeakPolarHBondContact CG-SD 3.08Å; K300-I367 HydrophobicContact CG-CG1 4.34Å
301	I	38.5	Very low	37.3	Very low	24 Å²	24	78.2 Å²	78.2	12%	0.123	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	137.4	178.7	-64.7	175.5	0	0	0	109.8	T365 L368	I301-T365 WeakPolarHBondContact CB-OG1 3.46Å; I301-T365 PolarHBondContact O-N 3Å; I301-T365 VanDerWaalsContact O-N 3.14Å; I301-T365 PolarHBondContact O-OG1 3.42Å; I301-L368 HydrophobicContact CD1-CD1 3.61Å; I301-L368 HydrophobicContact CD1-CG 4.31Å; I301-L368 HydrophobicContact CG1-CD1 4.4Å
302	S	39.8	Very low	37.8	Very low	9 Å²	9	75.1 Å²	75.1	6%	0.063	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	131.1	167.9	174.8	0	0	0	0	110.1	L335 I362 Q363	S302-L335 WeakPolarHBondContact O-CB 3.36Å; S302-I362 WeakPolarHBondContact OG-CA 3.36Å; S302-Q363 WeakPolarHBondContact CB-O 3.28Å; S302-Q363 PolarHBondContact OG-N 2.88Å; S302-Q363 VanDerWaalsContact OG-N 3.11Å; S302-Q363 PolarHBondContact OG-O 2.94Å
303	L	37	Very low	38.4	Very low	61 Å²	61	74.2 Å²	74.2	32%	0.319	39%	0.385	S	S	.	.			trans	170.8	129.2	130.2	-100.6	162.2	0	0	0	110	L309 W330	L303-L309 HydrophobicContact CD1-CD1 4.09Å; L303-W330 HydrophobicContact CD1-CH2 3.7Å; L303-W330 HydrophobicContact CD1-CZ3 3.5Å; L303-W330 VanDerWaalsContact CD1-CZ3 3.5Å
304	D	31.3	Very low	38.6	Very low	142 Å²	142	80.2 Å²	80.2	76%	0.759	41%	0.41	S	S	*	.			trans	-138.6	97.2	167.8	-152	-6.3	0	0	0	109
305	N	35	Very low	39.3	Very low	134 Å²	134	72.9 Å²	72.9	72%	0.717	38%	0.379	S	S	*	.			trans	-173.7	158.7	158.6	-118.4	-50.7	0	0	0	113.4	V307	N305-V307 PolarHBondContact O-N 3.46Å
306	H	36.8	Very low	39.3	Very low	189 Å²	189	74.4 Å²	74.4	88%	0.875	39%	0.394	S	S	*	.			trans	-86	20	-159.6	-105.5	-102.8	0	0	0	117.5
307	V	38.9	Very low	39.7	Very low	77 Å²	77	72.5 Å²	72.5	47%	0.467	38%	0.379	S	S	.	.	S	Bend	trans	-98.6	147.8	-172.1	-175.5	0	0	0	0	113.5	N305 L309	N305-V307 PolarHBondContact O-N 3.46Å; V307-L309 PolarHBondContact O-N 2.93Å
308	L	42	Very low	40.3	Very low	119 Å²	119	73 Å²	73	62%	0.623	38%	0.378	S	S	*	.			trans	-67.8	82.4	-175.3	-82.6	163.9	0	0	0	114.2	K310 K541	L308-K310 PolarHBondContact O-N 2.63Å; L308-K541 HydrophobicContact CD2-CD 4.4Å; L308-K541 HydrophobicContact CD2-CG 4.44Å
309	L	42.3	Very low	40.7	Very low	35 Å²	35	72 Å²	72	18%	0.183	37%	0.372	C	S	.	.	H	α-helix	trans	-47.7	-23.5	-178.1	-155.5	76	0	0	0	116.9	L303 V307 D311 F312 L313 W330	L303-L309 HydrophobicContact CD1-CD1 4.09Å; V307-L309 PolarHBondContact O-N 2.93Å; L309-D311 PolarHBondContact O-N 3.08Å; L309-F312 WeakPolarHBondContact O-CB 3.44Å; L309-F312 PolarHBondContact O-N 3.17Å; L309-L313 HydrophobicContact CD2-CD1 4.33Å; L309-L313 HydrophobicContact CG-CD1 4.24Å; L309-L313 HydrophobicContact CG-CG 4.43Å; L309-L313 WeakPolarHBondContact O-CG 3.42Å; L309-L313 PolarHBondContact O-N 3.5Å; L309-L313 VanDerWaalsContact O-N 3.16Å; L309-W330 HydrophobicContact CD1-CZ3 4.31Å; L309-W330 HydrophobicContact CD2-CE3 4.14Å; L309-W330 HydrophobicContact CD2-CZ3 3.81Å; L309-W330 HydrophobicContact CG-CZ3 4.48Å
310	K	39.3	Very low	40.7	Very low	133 Å²	133	77.7 Å²	77.7	58%	0.578	40%	0.398	S	S	*	.	H	α-helix	trans	-69	-32.4	-170.6	-106.5	-170.9	172.6	-173.3	0	114.2	V27 L308	V27-K310 PolarHBondContact O-NZ 3.11Å; L308-K310 PolarHBondContact O-N 2.63Å
311	D	38.8	Very low	40.6	Very low	87 Å²	87	79.6 Å²	79.6	47%	0.465	42%	0.421	S	S	.	.	H	α-helix	trans	-88.8	-28.2	177	-69.4	-73.1	0	0	0	112.2	L309 L313 K314	L309-D311 PolarHBondContact O-N 3.08Å; D311-L313 VanDerWaalsContact C-N 3.29Å; D311-L313 PolarHBondContact O-N 3.14Å; D311-K314 WeakPolarHBondContact O-CB 3.43Å; D311-K314 PolarHBondContact O-N 3.3Å; D311-K314 VanDerWaalsContact O-N 3.16Å; D311-K314 WeakPolarHBondContact OD1-CE 3.48Å; D311-K314 IonicContact OD1-NZ 3.47Å; D311-K314 PolarHBondContact OD1-NZ 3.48Å
312	F	46.1	Very low	41.1	Very low	36 Å²	36	80.1 Å²	80.1	16%	0.158	42%	0.423	C	S	.	.	H	α-helix	trans	-56.7	-41.6	169.2	-124.4	-68.7	0	0	0	112.4	L309 K314 N315 I318 I358 I360	L309-F312 WeakPolarHBondContact O-CB 3.44Å; L309-F312 PolarHBondContact O-N 3.17Å; F312-K314 PolarHBondContact O-N 3.16Å; F312-K314 VanDerWaalsContact O-N 3.07Å; F312-N315 WeakPolarHBondContact O-CB 3.43Å; F312-N315 PolarHBondContact O-N 3.43Å; F312-I318 HydrophobicContact CD1-CD1 3.62Å; F312-I318 HydrophobicContact CE1-CD1 3.47Å; F312-I318 VanDerWaalsContact CE1-CD1 3.47Å; F312-I358 HydrophobicContact CE2-CB 4.04Å; F312-I358 HydrophobicContact CE2-CD1 3.93Å; F312-I358 HydrophobicContact CE2-CG2 3.82Å; F312-I358 HydrophobicContact CZ-CB 3.91Å; F312-I358 HydrophobicContact CZ-CG2 3.96Å; F312-I360 HydrophobicContact CD1-CD1 4.31Å; F312-I360 HydrophobicContact CE1-CD1 3.51Å; F312-I360 HydrophobicContact CE1-CG1 3.82Å; F312-I360 HydrophobicContact CZ-CD1 4.09Å; F312-I360 HydrophobicContact CZ-CG1 3.87Å
313	L	44.4	Very low	41.3	Very low	68 Å²	68	85.9 Å²	85.9	36%	0.356	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-9.6	179.6	-73	164.9	0	0	0	114.4	L309 D311 W330	L309-L313 HydrophobicContact CD2-CD1 4.33Å; L309-L313 HydrophobicContact CG-CD1 4.24Å; L309-L313 HydrophobicContact CG-CG 4.43Å; L309-L313 WeakPolarHBondContact O-CG 3.42Å; L309-L313 PolarHBondContact O-N 3.5Å; L309-L313 VanDerWaalsContact O-N 3.16Å; D311-L313 VanDerWaalsContact C-N 3.29Å; D311-L313 PolarHBondContact O-N 3.14Å; L313-W330 HydrophobicContact CD2-CD2 3.92Å; L313-W330 HydrophobicContact CD2-CE3 4.38Å; L313-W330 HydrophobicContact CD2-CG 4.23Å; L313-W330 HydrophobicContact CD2-CZ2 4.18Å
314	K	40.8	Very low	41.7	Very low	140 Å²	140	92.2 Å²	92.2	61%	0.609	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-10.9	173.6	-60.5	170.9	-176.1	166.6	0	112.9	D311 F312 A316	D311-K314 WeakPolarHBondContact O-CB 3.43Å; D311-K314 PolarHBondContact O-N 3.3Å; D311-K314 VanDerWaalsContact O-N 3.16Å; D311-K314 WeakPolarHBondContact OD1-CE 3.48Å; D311-K314 IonicContact OD1-NZ 3.47Å; D311-K314 PolarHBondContact OD1-NZ 3.48Å; F312-K314 PolarHBondContact O-N 3.16Å; F312-K314 VanDerWaalsContact O-N 3.07Å; K314-A316 PolarHBondContact O-N 3.32Å; K314-A316 VanDerWaalsContact O-N 3.1Å
315	N	45.7	Very low	42.2	Very low	13 Å²	13	89.6 Å²	89.6	7%	0.07	47%	0.465	C	S	.	.			trans	-79	93.3	-178	-116	-14.9	0	0	0	111.5	F312 N317 I318 L350 R352	F312-N315 WeakPolarHBondContact O-CB 3.43Å; F312-N315 PolarHBondContact O-N 3.43Å; N315-N317 PolarHBondContact O-N 3.45Å; N315-I318 HydrophobicContact CB-CD1 3.63Å; N315-I318 HydrophobicContact CB-CG1 4.1Å; N315-I318 PolarHBondContact O-N 3.44Å; N315-L350 PolarHBondContact ND2-O 3.41Å; N315-L350 VanDerWaalsContact ND2-O 3.1Å; N315-R352 PolarHBondContact OD1-NE 3.37Å; N315-R352 PolarHBondContact OD1-NH2 3.42Å
316	A	38.6	Very low	43	Very low	52 Å²	52	86.9 Å²	86.9	43%	0.43	45%	0.448	S	S	.	.	H	α-helix	trans	-56.5	-30.3	178.6	0	0	0	0	0	113.8	K314 L319 Q320	K314-A316 PolarHBondContact O-N 3.32Å; K314-A316 VanDerWaalsContact O-N 3.1Å; A316-L319 CarbonylContact O-C 3.52Å; A316-L319 PolarHBondContact O-N 3.02Å; A316-Q320 PolarHBondContact O-N 2.86Å
317	N	38.5	Very low	43.8	Very low	100 Å²	100	78.9 Å²	78.9	54%	0.535	41%	0.413	S	S	.	.	H	α-helix	trans	-68.4	-42.1	-174.6	-55.8	42.3	0	0	0	112.4	N315 L319 Q320 G321 R352	N315-N317 PolarHBondContact O-N 3.45Å; N317-L319 VanDerWaalsContact C-N 3.32Å; N317-Q320 WeakPolarHBondContact O-CB 3.47Å; N317-Q320 PolarHBondContact O-N 3.4Å; N317-Q320 VanDerWaalsContact O-N 3.11Å; N317-G321 PolarHBondContact O-N 2.69Å; N317-R352 PolarHBondContact OD1-NH2 3.13Å
318	I	47.5	Very low	44.7	Very low	29 Å²	29	77 Å²	77	15%	0.149	40%	0.4	C	S	.	.	H	α-helix	trans	-63.3	-44.8	175.1	-50.8	162.5	0	0	0	109.4	F312 N315 Q320 G321 L322 L347 S349 I360	F312-I318 HydrophobicContact CD1-CD1 3.62Å; F312-I318 HydrophobicContact CE1-CD1 3.47Å; F312-I318 VanDerWaalsContact CE1-CD1 3.47Å; N315-I318 HydrophobicContact CB-CD1 3.63Å; N315-I318 HydrophobicContact CB-CG1 4.1Å; N315-I318 PolarHBondContact O-N 3.44Å; I318-Q320 PolarHBondContact O-N 2.68Å; I318-G321 PolarHBondContact O-N 3.42Å; I318-L322 HydrophobicContact CG2-CD1 4.27Å; I318-L322 PolarHBondContact O-N 2.73Å; I318-L347 HydrophobicContact CG2-CD1 4.31Å; I318-S349 WeakPolarHBondContact CD1-OG 3.08Å; I318-S349 WeakPolarHBondContact CG1-OG 2.97Å; I318-I360 HydrophobicContact CD1-CD1 3.98Å; I318-I360 HydrophobicContact CG2-CD1 4.04Å
319	L	45.3	Very low	45.2	Very low	54 Å²	54	72 Å²	72	28%	0.283	38%	0.376	S	S	.	.	H	α-helix	trans	-63.2	-29	175.1	-74.5	166.7	0	0	0	111.9	A316 N317 K323	A316-L319 CarbonylContact O-C 3.52Å; A316-L319 PolarHBondContact O-N 3.02Å; N317-L319 VanDerWaalsContact C-N 3.32Å; L319-K323 WeakPolarHBondContact O-CB 3.28Å; L319-K323 WeakPolarHBondContact O-CD 3.46Å; L319-K323 WeakPolarHBondContact O-CG 3.24Å; L319-K323 PolarHBondContact O-N 3.08Å
320	Q	42.4	Very low	45.7	Very low	119 Å²	119	74.3 Å²	74.3	56%	0.556	38%	0.383	S	S	*	.	H	α-helix	trans	-73.6	-41.3	172.6	-83.3	176.6	-59.1	0	0	112.4	A316 N317 I318 K323	A316-Q320 PolarHBondContact O-N 2.86Å; N317-Q320 WeakPolarHBondContact O-CB 3.47Å; N317-Q320 PolarHBondContact O-N 3.4Å; N317-Q320 VanDerWaalsContact O-N 3.11Å; I318-Q320 PolarHBondContact O-N 2.68Å; Q320-K323 PolarHBondContact O-N 3.14Å
321	G	43.2	Very low	46	Very low	50 Å²	50	72.1 Å²	72.1	52%	0.515	37%	0.371	S	S	.	.	H	α-helix	trans	-57	-53	173.9	0	0	0	0	0	111.6	N317 I318 K323 K324	N317-G321 PolarHBondContact O-N 2.69Å; I318-G321 PolarHBondContact O-N 3.42Å; G321-K323 VanDerWaalsContact C-N 3.34Å; G321-K323 PolarHBondContact O-N 2.92Å; G321-K324 PolarHBondContact O-N 3.25Å
322	L	48.5	Very low	46.8	Very low	35 Å²	35	69.4 Å²	69.4	18%	0.183	36%	0.363	C	S	.	.	H	α-helix	trans	-70	-23.6	178.4	-75.1	169.6	0	0	0	114.5	I318 K324 L328 L347	I318-L322 HydrophobicContact CG2-CD1 4.27Å; I318-L322 PolarHBondContact O-N 2.73Å; L322-K324 VanDerWaalsContact C-N 3.28Å; L322-K324 PolarHBondContact O-N 3.47Å; L322-L328 HydrophobicContact CB-CD1 3.6Å; L322-L328 HydrophobicContact CD1-CD1 3.98Å; L322-L328 HydrophobicContact CD2-CD1 4.42Å; L322-L328 HydrophobicContact CG-CD1 4.22Å; L322-L347 HydrophobicContact CD1-CD1 3.89Å; L322-L347 HydrophobicContact CD2-CD1 4.11Å; L322-L347 HydrophobicContact CG-CD1 4.04Å
323	K	45	Very low	46.9	Very low	131 Å²	131	72.5 Å²	72.5	57%	0.57	38%	0.378	S	S	*	.	H	α-helix	trans	-73.7	-12.7	176.3	-88.6	169.1	-168.6	174	0	114.1	L319 Q320 G321 S325	L319-K323 WeakPolarHBondContact O-CB 3.28Å; L319-K323 WeakPolarHBondContact O-CD 3.46Å; L319-K323 WeakPolarHBondContact O-CG 3.24Å; L319-K323 PolarHBondContact O-N 3.08Å; Q320-K323 PolarHBondContact O-N 3.14Å; G321-K323 VanDerWaalsContact C-N 3.34Å; G321-K323 PolarHBondContact O-N 2.92Å; K323-S325 PolarHBondContact O-N 3.32Å; K323-S325 VanDerWaalsContact O-N 3.16Å
324	K	44.8	Very low	47.2	Very low	194 Å²	194	74 Å²	74	84%	0.843	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-13.5	-177.1	-81.2	-170.5	172.2	-172.9	0	114	G321 L322	G321-K324 PolarHBondContact O-N 3.25Å; L322-K324 VanDerWaalsContact C-N 3.28Å; L322-K324 PolarHBondContact O-N 3.47Å
325	S	41.3	Very low	47.9	Very low	86 Å²	86	67.6 Å²	67.6	60%	0.601	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.5	-41.5	-179.6	57.3	0	0	0	0	116.9	K323	K323-S325 PolarHBondContact O-N 3.32Å; K323-S325 VanDerWaalsContact O-N 3.16Å
326	Q	53.2	Low	48.3	Very low	77 Å²	77	67.2 Å²	67.2	36%	0.36	35%	0.352	S	S	.	.			trans	-139.9	178.9	-165.1	-79.1	119	-12.7	0	0	117.3	Y337 A339	Q326-Y337 HydrophobicContact CB-CE2 3.6Å; Q326-Y337 VanDerWaalsContact CD-OH 3.31Å; Q326-Y337 PolarHBondContact OE1-OH 3.37Å; Q326-A339 HydrophobicContact CB-CB 4.37Å; Q326-A339 HydrophobicContact CG-CB 3.77Å
327	C	52.9	Low	49.1	Very low	22 Å²	22	65.5 Å²	65.5	15%	0.149	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	123.4	-168.3	-64.7	0	0	0	0	113.3	Y337 L338 R608 W609	C327-Y337 VanDerWaalsContact O-CD2 3.25Å; C327-Y337 WeakPolarHBondContact O-CD2 3.25Å; C327-L338 HydrophobicContact CB-CB 4.34Å; C327-L338 PolarHBondContact O-N 3Å; C327-R608 HydrophobicContact CB-CG 4.42Å; C327-R608 WeakPolarHBondContact SG-CG 3.37Å; C327-R608 PolarHBondContact SG-NE 3.49Å; C327-R608 VanDerWaalsContact SG-NE 3.39Å; C327-R608 PolarHBondContact SG-O 3.04Å; C327-W609 HydrophobicContact CB-CE3 4.16Å; C327-W609 HydrophobicContact CB-CH2 3.86Å; C327-W609 HydrophobicContact CB-CZ2 4.31Å; C327-W609 HydrophobicContact CB-CZ3 3.79Å
328	L	57.5	Low	49.6	Very low	37 Å²	37	62.1 Å²	62.1	19%	0.194	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	132.2	-174.7	-73.8	159	0	0	0	111.6	L322 L335 Y337 W609	L322-L328 HydrophobicContact CB-CD1 3.6Å; L322-L328 HydrophobicContact CD1-CD1 3.98Å; L322-L328 HydrophobicContact CD2-CD1 4.42Å; L322-L328 HydrophobicContact CG-CD1 4.22Å; L328-L335 HydrophobicContact CB-CD1 4.36Å; L328-L335 HydrophobicContact CD2-CD1 3.53Å; L328-L335 HydrophobicContact CD2-CD2 3.82Å; L328-L335 HydrophobicContact CD2-CG 4.05Å; L328-Y337 HydrophobicContact CD2-CD2 3.4Å; L328-Y337 HydrophobicContact CD2-CE2 4.11Å; L328-Y337 HydrophobicContact CD2-CG 4.13Å; L328-Y337 HydrophobicContact CG-CD2 3.82Å; L328-Y337 HydrophobicContact CG-CE2 4.24Å; L328-W609 VanDerWaalsContact C-CH2 3.43Å
329	A	53	Low	49.7	Very low	14 Å²	14	61.6 Å²	61.6	12%	0.116	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	151.9	176.2	0	0	0	0	0	110.8	L335 F336 F378 W609	A329-L335 VanDerWaalsContact O-CD1 3.31Å; A329-L335 WeakPolarHBondContact O-CD1 3.42Å; A329-F336 HydrophobicContact CB-CB 4.44Å; A329-F336 PolarHBondContact N-O 3.04Å; A329-F336 PolarHBondContact O-N 3.27Å; A329-F378 HydrophobicContact CB-CD2 3.92Å; A329-F378 HydrophobicContact CB-CE2 3.62Å; A329-W609 HydrophobicContact CB-CH2 3.55Å; A329-W609 HydrophobicContact CB-CZ2 3.55Å
330	W	52.7	Low	49.9	Very low	83 Å²	83	65.6 Å²	65.6	31%	0.314	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	136.7	-176.4	-65.1	85.2	0	0	0	110.4	L303 L309 L313 L335	L303-W330 HydrophobicContact CD1-CH2 3.7Å; L303-W330 HydrophobicContact CD1-CZ3 3.5Å; L303-W330 VanDerWaalsContact CD1-CZ3 3.5Å; L309-W330 HydrophobicContact CD1-CZ3 4.31Å; L309-W330 HydrophobicContact CD2-CE3 4.14Å; L309-W330 HydrophobicContact CD2-CZ3 3.81Å; L309-W330 HydrophobicContact CG-CZ3 4.48Å; L313-W330 HydrophobicContact CD2-CD2 3.92Å; L313-W330 HydrophobicContact CD2-CE3 4.38Å; L313-W330 HydrophobicContact CD2-CG 4.23Å; L313-W330 HydrophobicContact CD2-CZ2 4.18Å; W330-L335 HydrophobicContact CD2-CB 4.45Å; W330-L335 HydrophobicContact CD2-CD1 3.77Å; W330-L335 VanDerWaalsContact CE2-CD1 3.43Å; W330-L335 HydrophobicContact CE3-CB 4.07Å; W330-L335 HydrophobicContact CE3-CD1 4.25Å; W330-L335 HydrophobicContact CG-CD1 4.25Å; W330-L335 HydrophobicContact CH2-CB 4.15Å; W330-L335 HydrophobicContact CH2-CD1 4.17Å; W330-L335 HydrophobicContact CH2-CD2 4.43Å; W330-L335 HydrophobicContact CH2-CG 4.47Å; W330-L335 HydrophobicContact CZ2-CD1 3.66Å; W330-L335 HydrophobicContact CZ2-CD2 4.41Å; W330-L335 HydrophobicContact CZ2-CG 4.4Å; W330-L335 HydrophobicContact CZ3-CB 3.92Å; W330-L335 HydrophobicContact CZ3-CD1 4.43Å
331	W	45.8	Very low	50.2	Low	88 Å²	88	69 Å²	69	33%	0.333	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	108.5	172.7	-179	82.7	0	0	0	110	H333 K334 F336 P377	W331-H333 PolarHBondContact O-N 3.48Å; W331-K334 PolarHBondContact N-O 2.81Å; W331-K334 PolarHBondContact O-N 3.44Å; W331-F336 HydrophobicContact CB-CD2 4.37Å; W331-F336 HydrophobicContact CB-CE2 4.07Å; W331-P377 HydrophobicContact CD2-CB 4.16Å; W331-P377 HydrophobicContact CZ2-CB 3.96Å; W331-P377 HydrophobicContact CZ2-CG 4.47Å
332	G	56	Low	50.6	Low	29 Å²	29	69 Å²	69	30%	0.299	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	-106	-174.4	0	0	0	0	0	112.2
333	H	48.7	Very low	50.9	Low	102 Å²	102	75.8 Å²	75.8	47%	0.472	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-5.9	178.1	-70.2	-152.5	0	0	0	113	W331 K541	W331-H333 PolarHBondContact O-N 3.48Å; H333-K541 PolarHBondContact CE1-NZ 2.99Å; H333-K541 PolarHBondContact NE2-NZ 3.49Å
334	K	49.7	Very low	51.6	Low	98 Å²	98	74.9 Å²	74.9	43%	0.426	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	127.3	-176.2	-62.8	-168.4	176.4	-168.4	0	111.1	W331 F336	W331-K334 PolarHBondContact N-O 2.81Å; W331-K334 PolarHBondContact O-N 3.44Å; K334-F336 HydrophobicContact CB-CE2 4.26Å
335	L	55.4	Low	52.4	Low	7 Å²	7	67.5 Å²	67.5	4%	0.037	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	137	164	178.4	65.8	0	0	0	109.5	S302 L328 A329 W330	S302-L335 WeakPolarHBondContact O-CB 3.36Å; L328-L335 HydrophobicContact CB-CD1 4.36Å; L328-L335 HydrophobicContact CD2-CD1 3.53Å; L328-L335 HydrophobicContact CD2-CD2 3.82Å; L328-L335 HydrophobicContact CD2-CG 4.05Å; A329-L335 VanDerWaalsContact O-CD1 3.31Å; A329-L335 WeakPolarHBondContact O-CD1 3.42Å; W330-L335 HydrophobicContact CD2-CB 4.45Å; W330-L335 HydrophobicContact CD2-CD1 3.77Å; W330-L335 VanDerWaalsContact CE2-CD1 3.43Å; W330-L335 HydrophobicContact CE3-CB 4.07Å; W330-L335 HydrophobicContact CE3-CD1 4.25Å; W330-L335 HydrophobicContact CG-CD1 4.25Å; W330-L335 HydrophobicContact CH2-CB 4.15Å; W330-L335 HydrophobicContact CH2-CD1 4.17Å; W330-L335 HydrophobicContact CH2-CD2 4.43Å; W330-L335 HydrophobicContact CH2-CG 4.47Å; W330-L335 HydrophobicContact CZ2-CD1 3.66Å; W330-L335 HydrophobicContact CZ2-CD2 4.41Å; W330-L335 HydrophobicContact CZ2-CG 4.4Å; W330-L335 HydrophobicContact CZ3-CB 3.92Å; W330-L335 HydrophobicContact CZ3-CD1 4.43Å
336	F	54.6	Low	53.3	Low	4 Å²	4	67.4 Å²	67.4	2%	0.018	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.3	167.1	-75.1	-97	0	0	0	108.4	A329 W331 K334 F378	A329-F336 HydrophobicContact CB-CB 4.44Å; A329-F336 PolarHBondContact N-O 3.04Å; A329-F336 PolarHBondContact O-N 3.27Å; W331-F336 HydrophobicContact CB-CD2 4.37Å; W331-F336 HydrophobicContact CB-CE2 4.07Å; K334-F336 HydrophobicContact CB-CE2 4.26Å; F336-F378 HydrophobicContact CB-CD2 4.01Å; F336-F378 HydrophobicContact CB-CE2 4.49Å; F336-F378 HydrophobicContact CB-CG 4.4Å; F336-F378 HydrophobicContact CD1-CB 3.88Å; F336-F378 HydrophobicContact CD1-CG 4.06Å; F336-F378 HydrophobicContact CD2-CB 4.12Å; F336-F378 HydrophobicContact CE1-CB 3.85Å; F336-F378 HydrophobicContact CE1-CG 4.49Å; F336-F378 HydrophobicContact CE2-CB 4.09Å; F336-F378 HydrophobicContact CG-CB 4.02Å; F336-F378 HydrophobicContact CG-CD2 4.12Å; F336-F378 HydrophobicContact CG-CG 4.12Å; F336-F378 HydrophobicContact CZ-CB 3.95Å
337	Y	54.3	Low	53.8	Low	16 Å²	16	65.9 Å²	65.9	6%	0.063	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	142.5	-178.6	-179.2	-120.5	0	0	0	110.8	K300 Q326 C327 L328 A339 M342	K300-Y337 HydrophobicContact CB-CD1 4.32Å; K300-Y337 HydrophobicContact CD-CD1 4.28Å; K300-Y337 PolarHBondContact N-O 2.81Å; K300-Y337 PolarHBondContact O-N 2.95Å; Q326-Y337 HydrophobicContact CB-CE2 3.6Å; Q326-Y337 VanDerWaalsContact CD-OH 3.31Å; Q326-Y337 PolarHBondContact OE1-OH 3.37Å; C327-Y337 VanDerWaalsContact O-CD2 3.25Å; C327-Y337 WeakPolarHBondContact O-CD2 3.25Å; L328-Y337 HydrophobicContact CD2-CD2 3.4Å; L328-Y337 HydrophobicContact CD2-CE2 4.11Å; L328-Y337 HydrophobicContact CD2-CG 4.13Å; L328-Y337 HydrophobicContact CG-CD2 3.82Å; L328-Y337 HydrophobicContact CG-CE2 4.24Å; Y337-A339 HydrophobicContact CD1-CB 4.23Å; Y337-A339 HydrophobicContact CE1-CB 3.41Å; Y337-A339 VanDerWaalsContact CE1-CB 3.41Å; Y337-A339 HydrophobicContact CE2-CB 4.25Å; Y337-A339 VanDerWaalsContact CZ-CB 3.43Å; Y337-A339 WeakPolarHBondContact OH-CB 3.21Å; Y337-M342 HydrophobicContact CD1-SD 4.08Å; Y337-M342 HydrophobicContact CE1-CB 4.02Å; Y337-M342 HydrophobicContact CE1-CE 4.2Å; Y337-M342 HydrophobicContact CE1-CG 4.1Å; Y337-M342 HydrophobicContact CE1-SD 3.38Å; Y337-M342 WeakPolarHBondContact CE1-SD 3.34Å; Y337-M342 WeakPolarHBondContact OH-CE 3.25Å
338	L	49.5	Very low	54.3	Low	30 Å²	30	70.5 Å²	70.5	16%	0.157	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	100.6	180	-171.5	98.4	0	0	0	109.2	F299 C327 W609	F299-L338 HydrophobicContact CD1-CD1 4.17Å; F299-L338 HydrophobicContact CE1-CD1 3.6Å; F299-L338 HydrophobicContact CE2-CD1 4.27Å; F299-L338 HydrophobicContact CZ-CD1 3.65Å; C327-L338 HydrophobicContact CB-CB 4.34Å; C327-L338 PolarHBondContact O-N 3Å; L338-W609 HydrophobicContact CB-CE3 4.03Å; L338-W609 HydrophobicContact CB-CZ3 3.8Å; L338-W609 HydrophobicContact CD2-CE3 4.36Å
339	A	49.3	Very low	54.5	Low	17 Å²	17	69.8 Å²	69.8	14%	0.14	34%	0.342	C	S	.	.	S	Bend	trans	-166.4	169.5	172.9	0	0	0	0	0	110.3	K300 Q326 Y337	K300-A339 PolarHBondContact NZ-O 3.08Å; Q326-A339 HydrophobicContact CB-CB 4.37Å; Q326-A339 HydrophobicContact CG-CB 3.77Å; Y337-A339 HydrophobicContact CD1-CB 4.23Å; Y337-A339 HydrophobicContact CE1-CB 3.41Å; Y337-A339 VanDerWaalsContact CE1-CB 3.41Å; Y337-A339 HydrophobicContact CE2-CB 4.25Å; Y337-A339 VanDerWaalsContact CZ-CB 3.43Å; Y337-A339 WeakPolarHBondContact OH-CB 3.21Å
340	D	49.2	Very low	55.1	Low	138 Å²	138	74 Å²	74	74%	0.738	36%	0.363	S	S	*	.	S	Bend	trans	-69.6	-173.7	164.9	-64.1	-59.9	0	0	0	112.2	K300 M342	K300-D340 PolarHBondContact NZ-O 3.21Å; D340-M342 PolarHBondContact O-N 3.27Å; D340-M342 VanDerWaalsContact O-N 3.13Å
341	E	49.9	Very low	55.4	Low	191 Å²	191	73.9 Å²	73.9	89%	0.893	36%	0.362	S	S	*	.			trans	-50.7	120.3	-165.8	-62.7	-157.2	133.4	0	0	113
342	M	50.9	Low	55.7	Low	50 Å²	50	77 Å²	77	25%	0.246	37%	0.374	C	S	.	.			trans	-107.4	118.6	176.4	-155.2	-175.6	-155.4	0	0	107.2	Y337 D340 V345 M364	Y337-M342 HydrophobicContact CD1-SD 4.08Å; Y337-M342 HydrophobicContact CE1-CB 4.02Å; Y337-M342 HydrophobicContact CE1-CE 4.2Å; Y337-M342 HydrophobicContact CE1-CG 4.1Å; Y337-M342 HydrophobicContact CE1-SD 3.38Å; Y337-M342 WeakPolarHBondContact CE1-SD 3.34Å; Y337-M342 WeakPolarHBondContact OH-CE 3.25Å; D340-M342 PolarHBondContact O-N 3.27Å; D340-M342 VanDerWaalsContact O-N 3.13Å; M342-V345 HydrophobicContact CE-CG2 3.92Å; M342-V345 HydrophobicContact CG-CG2 4.18Å; M342-V345 HydrophobicContact SD-CG2 4.23Å; M342-M364 HydrophobicContact CB-CE 3.8Å; M342-M364 WeakPolarHBondContact O-CE 3.44Å
343	Q	54.7	Low	55.8	Low	177 Å²	177	80.9 Å²	80.9	83%	0.827	39%	0.392	S	S	*	.			trans	-65	164.7	169.2	-65.6	-178.6	-5.7	0	0	109.9	V345	Q343-V345 VanDerWaalsContact O-CG2 3.29Å; Q343-V345 WeakPolarHBondContact O-CG2 3.44Å; Q343-V345 PolarHBondContact O-N 2.87Å; Q343-V345 VanDerWaalsContact O-N 3.17Å
344	E	59.3	Low	56.8	Low	112 Å²	112	79.2 Å²	79.2	52%	0.523	39%	0.386	S	S	.	.			trans	-60.7	115.6	179.4	-177.4	162.4	138.7	0	0	110.6	K361 Q363	E344-K361 WeakPolarHBondContact OE1-CE 3.42Å; E344-K361 IonicContact OE1-NZ 2.74Å; E344-K361 PolarHBondContact OE1-NZ 2.85Å; E344-Q363 VanDerWaalsContact CD-NE2 3.26Å; E344-Q363 HydrophobicContact CG-CG 3.8Å; E344-Q363 PolarHBondContact OE1-NE2 2.79Å; E344-Q363 WeakPolarHBondContact OE2-CG 3.29Å; E344-Q363 PolarHBondContact OE2-NE2 2.86Å
345	V	63	Low	57.7	Low	39 Å²	39	80.3 Å²	80.3	24%	0.236	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	122.9	-177.1	-170	0	0	0	0	110.1	M342 Q343 L347 I362	M342-V345 HydrophobicContact CE-CG2 3.92Å; M342-V345 HydrophobicContact CG-CG2 4.18Å; M342-V345 HydrophobicContact SD-CG2 4.23Å; Q343-V345 VanDerWaalsContact O-CG2 3.29Å; Q343-V345 WeakPolarHBondContact O-CG2 3.44Å; Q343-V345 PolarHBondContact O-N 2.87Å; Q343-V345 VanDerWaalsContact O-N 3.17Å; V345-L347 HydrophobicContact CG1-CD2 3.63Å; V345-L347 HydrophobicContact CG1-CG 3.89Å; V345-I362 HydrophobicContact CB-CB 4.42Å; V345-I362 PolarHBondContact N-O 3.39Å; V345-I362 VanDerWaalsContact N-O 3.1Å; V345-I362 WeakPolarHBondContact O-CB 3.49Å; V345-I362 PolarHBondContact O-N 2.73Å
346	L	59.9	Low	58.4	Low	84 Å²	84	85.4 Å²	85.4	44%	0.44	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	110.9	176.1	-177.1	143.3	0	0	0	108.2	K348 E359	L346-K348 HydrophobicContact CD2-CG 4.44Å; L346-E359 HydrophobicContact CD1-CG 3.88Å; L346-E359 HydrophobicContact CD2-CG 3.8Å; L346-E359 HydrophobicContact CG-CG 3.65Å
347	L	63.8	Low	58.8	Low	46 Å²	46	90.9 Å²	90.9	24%	0.241	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.9	-177.4	-58.3	173.7	0	0	0	110	I318 L322 V345 I360 I362	I318-L347 HydrophobicContact CG2-CD1 4.31Å; L322-L347 HydrophobicContact CD1-CD1 3.89Å; L322-L347 HydrophobicContact CD2-CD1 4.11Å; L322-L347 HydrophobicContact CG-CD1 4.04Å; V345-L347 HydrophobicContact CG1-CD2 3.63Å; V345-L347 HydrophobicContact CG1-CG 3.89Å; L347-I360 HydrophobicContact CB-CB 4.23Å; L347-I360 HydrophobicContact CB-CD1 4.23Å; L347-I360 PolarHBondContact N-O 3.47Å; L347-I360 WeakPolarHBondContact O-CB 3.42Å; L347-I360 WeakPolarHBondContact O-CG1 3.32Å; L347-I360 PolarHBondContact O-N 2.74Å; L347-I362 HydrophobicContact CD1-CD1 3.84Å
348	K	62.9	Low	59.1	Low	119 Å²	119	91.3 Å²	91.3	52%	0.517	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	139	171	-60.8	-167.6	167.7	-156.8	0	110.8	L346 E357 E359	L346-K348 HydrophobicContact CD2-CG 4.44Å; K348-E357 HydrophobicContact CB-CG 4.16Å; K348-E357 HydrophobicContact CD-CG 4.47Å; K348-E357 WeakPolarHBondContact CD-OE1 3.48Å; K348-E357 IonicContact NZ-OE2 3.47Å; K348-E357 PolarHBondContact NZ-OE2 2.65Å; K348-E359 VanDerWaalsContact CE-OE1 3.32Å; K348-E359 WeakPolarHBondContact CE-OE1 3.18Å
349	S	62.3	Low	59.5	Low	21 Å²	21	95.3 Å²	95.3	15%	0.147	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	139.7	177.7	-155.7	0	0	0	0	113.9	I318 I358	I318-S349 WeakPolarHBondContact CD1-OG 3.08Å; I318-S349 WeakPolarHBondContact CG1-OG 2.97Å; S349-I358 PolarHBondContact N-O 2.99Å; S349-I358 PolarHBondContact O-N 3.06Å
350	L	64.3	Low	60.2	Low	104 Å²	104	96 Å²	96	55%	0.545	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	128.7	179.9	-65.9	161.6	0	0	0	111.8	N315 N355 Q356 E357	N315-L350 PolarHBondContact ND2-O 3.41Å; N315-L350 VanDerWaalsContact ND2-O 3.1Å; L350-N355 VanDerWaalsContact CD2-O 3.23Å; L350-N355 WeakPolarHBondContact CD2-O 3.46Å; L350-Q356 WeakPolarHBondContact CA-O 3.45Å; L350-E357 HydrophobicContact CD2-CB 4.14Å
351	R	59.6	Low	60.7	Low	79 Å²	79	93.3 Å²	93.3	30%	0.298	45%	0.45	S	S	.	.			trans	-81.6	118.9	177.6	-172.2	173	57.4	-159.4	-3.6	110.6	T353 D354 N355 Q356 I358	R351-T353 WeakPolarHBondContact CG-OG1 3.01Å; R351-T353 PolarHBondContact O-N 3.01Å; R351-D354 WeakPolarHBondContact CG-OD1 3.17Å; R351-D354 IonicContact CZ-OD1 3.61Å; R351-D354 IonicContact CZ-OD2 3.36Å; R351-D354 IonicContact NE-OD1 3.23Å; R351-D354 PolarHBondContact NE-OD1 3.14Å; R351-D354 IonicContact NE-OD2 3.63Å; R351-D354 PolarHBondContact NE-OD2 3.01Å; R351-D354 IonicContact NH2-OD1 3.66Å; R351-D354 IonicContact NH2-OD2 2.67Å; R351-D354 PolarHBondContact NH2-OD2 3.24Å; R351-D354 PolarHBondContact O-N 2.97Å; R351-N355 VanDerWaalsContact O-CA 3.29Å; R351-N355 WeakPolarHBondContact O-CA 3.5Å; R351-N355 PolarHBondContact O-N 2.94Å; R351-Q356 PolarHBondContact N-O 3.16Å; R351-I358 HydrophobicContact CB-CD1 3.68Å; R351-I358 HydrophobicContact CB-CG1 4.26Å; R351-I358 HydrophobicContact CG-CD1 4.11Å
352	R	51.9	Low	61.3	Low	154 Å²	154	85.4 Å²	85.4	58%	0.581	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-0.4	-173	-64.8	-168.6	-175.6	-153.2	-2.9	116.7	N315 N317	N315-R352 PolarHBondContact OD1-NE 3.37Å; N315-R352 PolarHBondContact OD1-NH2 3.42Å; N317-R352 PolarHBondContact OD1-NH2 3.13Å
353	T	58.3	Low	61.7	Low	111 Å²	111	86.8 Å²	86.8	68%	0.681	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-22.9	178.8	38.3	0	0	0	0	113.2	R351	R351-T353 WeakPolarHBondContact CG-OG1 3.01Å; R351-T353 PolarHBondContact O-N 3.01Å
354	D	70.1	Confident	62	Low	66 Å²	66	82.4 Å²	82.4	35%	0.353	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-161.6	-1	-160.6	58.6	-54.9	0	0	0	113	R351 Q356	R351-D354 WeakPolarHBondContact CG-OD1 3.17Å; R351-D354 IonicContact CZ-OD1 3.61Å; R351-D354 IonicContact CZ-OD2 3.36Å; R351-D354 IonicContact NE-OD1 3.23Å; R351-D354 PolarHBondContact NE-OD1 3.14Å; R351-D354 IonicContact NE-OD2 3.63Å; R351-D354 PolarHBondContact NE-OD2 3.01Å; R351-D354 IonicContact NH2-OD1 3.66Å; R351-D354 IonicContact NH2-OD2 2.67Å; R351-D354 PolarHBondContact NH2-OD2 3.24Å; R351-D354 PolarHBondContact O-N 2.97Å; D354-Q356 PolarHBondContact O-N 3.04Å; D354-Q356 VanDerWaalsContact O-N 3.1Å; D354-Q356 VanDerWaalsContact OD2-CB 3.32Å; D354-Q356 WeakPolarHBondContact OD2-CB 3.45Å; D354-Q356 WeakPolarHBondContact OD2-CG 3.16Å; D354-Q356 PolarHBondContact OD2-OE1 3.08Å
355	N	69.1	Low	62.3	Low	122 Å²	122	81.1 Å²	81.1	65%	0.652	40%	0.4	S	S	*	.			trans	56.1	18.2	-179.2	-65	-21.1	0	0	0	116.2	L350 R351 E357	L350-N355 VanDerWaalsContact CD2-O 3.23Å; L350-N355 WeakPolarHBondContact CD2-O 3.46Å; R351-N355 VanDerWaalsContact O-CA 3.29Å; R351-N355 WeakPolarHBondContact O-CA 3.5Å; R351-N355 PolarHBondContact O-N 2.94Å; N355-E357 PolarHBondContact O-N 2.95Å
356	Q	68.9	Low	62.4	Low	113 Å²	113	82.9 Å²	82.9	53%	0.528	40%	0.404	S	S	.	.			trans	-61.7	135.4	167.2	-76.9	-174.1	-16.8	0	0	110.9	L350 R351 D354 I358	L350-Q356 WeakPolarHBondContact CA-O 3.45Å; R351-Q356 PolarHBondContact N-O 3.16Å; D354-Q356 PolarHBondContact O-N 3.04Å; D354-Q356 VanDerWaalsContact O-N 3.1Å; D354-Q356 VanDerWaalsContact OD2-CB 3.32Å; D354-Q356 WeakPolarHBondContact OD2-CB 3.45Å; D354-Q356 WeakPolarHBondContact OD2-CG 3.16Å; D354-Q356 PolarHBondContact OD2-OE1 3.08Å; Q356-I358 HydrophobicContact CB-CG1 4.49Å
357	E	64	Low	62.8	Low	119 Å²	119	81.6 Å²	81.6	56%	0.556	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	127.4	164.7	-175.9	174.4	-120.1	0	0	108.7	K348 L350 N355	K348-E357 HydrophobicContact CB-CG 4.16Å; K348-E357 HydrophobicContact CD-CG 4.47Å; K348-E357 WeakPolarHBondContact CD-OE1 3.48Å; K348-E357 IonicContact NZ-OE2 3.47Å; K348-E357 PolarHBondContact NZ-OE2 2.65Å; L350-E357 HydrophobicContact CD2-CB 4.14Å; N355-E357 PolarHBondContact O-N 2.95Å
358	I	60.6	Low	63	Low	26 Å²	26	79.5 Å²	79.5	13%	0.133	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.9	178.1	-55	-175.4	0	0	0	109.6	F312 S349 R351 Q356	F312-I358 HydrophobicContact CE2-CB 4.04Å; F312-I358 HydrophobicContact CE2-CD1 3.93Å; F312-I358 HydrophobicContact CE2-CG2 3.82Å; F312-I358 HydrophobicContact CZ-CB 3.91Å; F312-I358 HydrophobicContact CZ-CG2 3.96Å; S349-I358 PolarHBondContact N-O 2.99Å; S349-I358 PolarHBondContact O-N 3.06Å; R351-I358 HydrophobicContact CB-CD1 3.68Å; R351-I358 HydrophobicContact CB-CG1 4.26Å; R351-I358 HydrophobicContact CG-CD1 4.11Å; Q356-I358 HydrophobicContact CB-CG1 4.49Å
359	E	58.2	Low	63.3	Low	113 Å²	113	76.7 Å²	76.7	53%	0.528	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	119.7	178	-163.2	163.2	-94.9	0	0	110.5	L346 K348	L346-E359 HydrophobicContact CD1-CG 3.88Å; L346-E359 HydrophobicContact CD2-CG 3.8Å; L346-E359 HydrophobicContact CG-CG 3.65Å; K348-E359 VanDerWaalsContact CE-OE1 3.32Å; K348-E359 WeakPolarHBondContact CE-OE1 3.18Å
360	I	62.7	Low	63.5	Low	33 Å²	33	77.1 Å²	77.1	17%	0.169	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	105.6	177.8	-40.8	168	0	0	0	107.6	F312 I318 L347 I362	F312-I360 HydrophobicContact CD1-CD1 4.31Å; F312-I360 HydrophobicContact CE1-CD1 3.51Å; F312-I360 HydrophobicContact CE1-CG1 3.82Å; F312-I360 HydrophobicContact CZ-CD1 4.09Å; F312-I360 HydrophobicContact CZ-CG1 3.87Å; I318-I360 HydrophobicContact CD1-CD1 3.98Å; I318-I360 HydrophobicContact CG2-CD1 4.04Å; L347-I360 HydrophobicContact CB-CB 4.23Å; L347-I360 HydrophobicContact CB-CD1 4.23Å; L347-I360 PolarHBondContact N-O 3.47Å; L347-I360 WeakPolarHBondContact O-CB 3.42Å; L347-I360 WeakPolarHBondContact O-CG1 3.32Å; L347-I360 PolarHBondContact O-N 2.74Å; I360-I362 HydrophobicContact CG2-CG1 4.34Å
361	K	59.6	Low	63.6	Low	81 Å²	81	76.1 Å²	76.1	35%	0.352	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	121.9	174.5	-150.4	-178.5	-165.3	-153.2	0	110.7	E344 Q363	E344-K361 WeakPolarHBondContact OE1-CE 3.42Å; E344-K361 IonicContact OE1-NZ 2.74Å; E344-K361 PolarHBondContact OE1-NZ 2.85Å; K361-Q363 HydrophobicContact CD-CG 4.35Å; K361-Q363 HydrophobicContact CG-CG 4.35Å
362	I	64.1	Low	64.3	Low	24 Å²	24	73.5 Å²	73.5	12%	0.123	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	110.6	176	-55.5	-179.3	0	0	0	108.1	S302 V345 L347 I360	S302-I362 WeakPolarHBondContact OG-CA 3.36Å; V345-I362 HydrophobicContact CB-CB 4.42Å; V345-I362 PolarHBondContact N-O 3.39Å; V345-I362 VanDerWaalsContact N-O 3.1Å; V345-I362 WeakPolarHBondContact O-CB 3.49Å; V345-I362 PolarHBondContact O-N 2.73Å; L347-I362 HydrophobicContact CD1-CD1 3.84Å; I360-I362 HydrophobicContact CG2-CG1 4.34Å
363	Q	59.4	Low	65.4	Low	79 Å²	79	69.9 Å²	69.9	37%	0.369	36%	0.363	S	S	.	.			trans	-122.3	144.3	-175.6	-83.4	-172.9	-44.6	0	0	111.7	S302 E344 K361 T365	S302-Q363 WeakPolarHBondContact CB-O 3.28Å; S302-Q363 PolarHBondContact OG-N 2.88Å; S302-Q363 VanDerWaalsContact OG-N 3.11Å; S302-Q363 PolarHBondContact OG-O 2.94Å; E344-Q363 VanDerWaalsContact CD-NE2 3.26Å; E344-Q363 HydrophobicContact CG-CG 3.8Å; E344-Q363 PolarHBondContact OE1-NE2 2.79Å; E344-Q363 WeakPolarHBondContact OE2-CG 3.29Å; E344-Q363 PolarHBondContact OE2-NE2 2.86Å; K361-Q363 HydrophobicContact CD-CG 4.35Å; K361-Q363 HydrophobicContact CG-CG 4.35Å; Q363-T365 PolarHBondContact O-N 3.36Å
364	M	59.5	Low	66.3	Low	85 Å²	85	69.2 Å²	69.2	42%	0.419	36%	0.355	S	S	.	.			trans	-72.5	119	176.3	-158.6	66.1	61.1	0	0	110.3	K300 M342	K300-M364 HydrophobicContact CB-SD 3.77Å; K300-M364 HydrophobicContact CD-CE 3.8Å; K300-M364 HydrophobicContact CD-SD 3.61Å; K300-M364 HydrophobicContact CG-CE 4.34Å; K300-M364 HydrophobicContact CG-SD 3.46Å; K300-M364 WeakPolarHBondContact CG-SD 3.08Å; M342-M364 HydrophobicContact CB-CE 3.8Å; M342-M364 WeakPolarHBondContact O-CE 3.44Å
365	T	66	Low	66.6	Low	85 Å²	85	66.1 Å²	66.1	52%	0.521	34%	0.338	S	S	.	.			trans	-103.4	-53.5	179.8	61.9	0	0	0	0	114	I301 Q363	I301-T365 WeakPolarHBondContact CB-OG1 3.46Å; I301-T365 PolarHBondContact O-N 3Å; I301-T365 VanDerWaalsContact O-N 3.14Å; I301-T365 PolarHBondContact O-OG1 3.42Å; Q363-T365 PolarHBondContact O-N 3.36Å
366	K	65.6	Low	67.1	Low	77 Å²	77	61.6 Å²	61.6	34%	0.335	31%	0.314	S	S	.	.			trans	-150.8	138.9	174	-177.4	164.5	179.6	174.2	0	109.9	M262 E265 L368	M262-K366 HydrophobicContact CE-CG 4.31Å; E265-K366 IonicContact OE2-NZ 3.52Å; E265-K366 PolarHBondContact OE2-NZ 3.21Å; K366-L368 HydrophobicContact CD-CD2 4.02Å; K366-L368 HydrophobicContact CG-CD2 4.06Å
367	I	68.4	Low	67.7	Low	56 Å²	56	58.1 Å²	58.1	29%	0.287	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	123.8	161	-75.2	171	0	0	0	108	N298 K300	N298-I367 HydrophobicContact CB-CG1 4.43Å; N298-I367 HydrophobicContact CB-CG2 3.7Å; N298-I367 VanDerWaalsContact CG-CG2 3.45Å; N298-I367 VanDerWaalsContact OD1-CG2 3.28Å; N298-I367 WeakPolarHBondContact OD1-CG2 3.3Å; K300-I367 HydrophobicContact CG-CG1 4.34Å
368	L	67.3	Low	68.5	Low	2 Å²	2	52.6 Å²	52.6	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.2	172.5	-64	-178.6	0	0	0	110.4	F299 I301 K366 C372 L374	F299-L368 HydrophobicContact CB-CB 4.21Å; F299-L368 PolarHBondContact N-O 3.26Å; F299-L368 VanDerWaalsContact N-O 3.14Å; F299-L368 PolarHBondContact O-N 3.07Å; I301-L368 HydrophobicContact CD1-CD1 3.61Å; I301-L368 HydrophobicContact CD1-CG 4.31Å; I301-L368 HydrophobicContact CG1-CD1 4.4Å; K366-L368 HydrophobicContact CD-CD2 4.02Å; K366-L368 HydrophobicContact CG-CD2 4.06Å; L368-C372 HydrophobicContact CB-CB 4.41Å; L368-L374 HydrophobicContact CD1-CB 3.74Å; L368-L374 HydrophobicContact CD1-CD1 4.24Å; L368-L374 HydrophobicContact CD2-CD1 3.92Å
369	P	68.6	Low	69.4	Low	60 Å²	60	51.3 Å²	51.3	39%	0.39	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-67.4	149.1	173.3	28.4	-33.1	0	0	0	110.1	N371 C372	P369-N371 PolarHBondContact O-N 3.29Å; P369-C372 HydrophobicContact CG-CB 4.11Å; P369-C372 VanDerWaalsContact O-CB 3.23Å; P369-C372 WeakPolarHBondContact O-CB 3.44Å; P369-C372 PolarHBondContact O-N 2.81Å
370	P	66.5	Low	70.7	Confident	31 Å²	31	47.7 Å²	47.7	20%	0.201	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-41.7	-40.1	176.6	-39.2	39.9	0	0	0	116.8	L295 C372 Y379 L430	L295-P370 HydrophobicContact CB-CB 3.53Å; L295-P370 HydrophobicContact CB-CG 3.66Å; L295-P370 HydrophobicContact CD1-CB 3.76Å; L295-P370 HydrophobicContact CG-CB 4.29Å; L295-P370 WeakPolarHBondContact O-CG 3.22Å; P370-C372 VanDerWaalsContact C-N 3.34Å; P370-C372 PolarHBondContact O-N 3.08Å; P370-Y379 PolarHBondContact O-OH 3.19Å; P370-L430 WeakPolarHBondContact O-CD1 3.21Å
371	N	67.6	Low	71.7	Confident	82 Å²	82	48 Å²	48	44%	0.439	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	8.9	-174.3	67.1	11.4	0	0	0	113.9	P369 R425	P369-N371 PolarHBondContact O-N 3.29Å; N371-R425 WeakPolarHBondContact O-CD 3.3Å; N371-R425 PolarHBondContact O-NE 3.42Å; N371-R425 PolarHBondContact O-NH2 2.85Å
372	C	73.9	Confident	72.8	Confident	24 Å²	24	44.3 Å²	44.3	16%	0.162	24%	0.241	C	C	.	.			trans	-72	137.6	179.6	-170.7	0	0	0	0	112.2	L368 P369 P370 L374 C375	L368-C372 HydrophobicContact CB-CB 4.41Å; P369-C372 HydrophobicContact CG-CB 4.11Å; P369-C372 VanDerWaalsContact O-CB 3.23Å; P369-C372 WeakPolarHBondContact O-CB 3.44Å; P369-C372 PolarHBondContact O-N 2.81Å; P370-C372 VanDerWaalsContact C-N 3.34Å; P370-C372 PolarHBondContact O-N 3.08Å; C372-L374 PolarHBondContact O-N 3.4Å; C372-C375 WeakPolarHBondContact O-CB 3.48Å; C372-C375 PolarHBondContact O-N 2.97Å
373	D	75.2	Confident	73.8	Confident	78 Å²	78	43.3 Å²	43.3	42%	0.417	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-61.8	-25.3	177	-61.6	-78.5	0	0	0	113.2	C375 I376 P377 R425	D373-C375 PolarHBondContact O-N 3.35Å; D373-I376 HydrophobicContact CB-CD1 4.11Å; D373-I376 WeakPolarHBondContact O-CB 3.14Å; D373-I376 PolarHBondContact O-N 3.37Å; D373-I376 VanDerWaalsContact O-N 3.15Å; D373-I376 WeakPolarHBondContact OD1-CD1 3.46Å; D373-P377 WeakPolarHBondContact O-CD 3.18Å; D373-R425 VanDerWaalsContact CG-CD 3.46Å; D373-R425 WeakPolarHBondContact OD1-CB 3.21Å; D373-R425 WeakPolarHBondContact OD1-CD 3.4Å; D373-R425 VanDerWaalsContact OD2-CD 3.27Å; D373-R425 WeakPolarHBondContact OD2-CD 3.34Å; D373-R425 IonicContact OD2-CZ 2.72Å; D373-R425 IonicContact OD2-NE 3.56Å; D373-R425 IonicContact OD2-NH1 3.82Å; D373-R425 PolarHBondContact OD2-NH1 2.74Å
374	L	77.4	Confident	75.2	Confident	98 Å²	98	42.9 Å²	42.9	51%	0.513	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-64.8	-19	172.9	-61.9	177.2	0	0	0	113.3	L368 C372	L368-L374 HydrophobicContact CD1-CB 3.74Å; L368-L374 HydrophobicContact CD1-CD1 4.24Å; L368-L374 HydrophobicContact CD2-CD1 3.92Å; C372-L374 PolarHBondContact O-N 3.4Å
375	C	76.2	Confident	76.5	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-87.7	-17.3	175.8	-59.1	0	0	0	0	112.8	C372 D373 F378 Y379	C372-C375 WeakPolarHBondContact O-CB 3.48Å; C372-C375 PolarHBondContact O-N 2.97Å; D373-C375 PolarHBondContact O-N 3.35Å; C375-F378 WeakPolarHBondContact O-CB 3.35Å; C375-F378 PolarHBondContact O-N 3.06Å; C375-Y379 HydrophobicContact CB-CD2 4.25Å; C375-Y379 HydrophobicContact CB-CE2 3.46Å; C375-Y379 VanDerWaalsContact CB-CE2 3.46Å; C375-Y379 VanDerWaalsContact O-CD2 3.24Å; C375-Y379 WeakPolarHBondContact O-CD2 3.38Å; C375-Y379 PolarHBondContact O-N 3.07Å
376	I	79.7	Confident	77.6	Confident	28 Å²	28	40.7 Å²	40.7	14%	0.144	21%	0.208	C	C	.	.	H	α-helix	trans	-56.7	-43.8	179.8	-64.4	173.2	0	0	0	112.8	D373 F378 Y379 N380 I423 R425 L430	D373-I376 HydrophobicContact CB-CD1 4.11Å; D373-I376 WeakPolarHBondContact O-CB 3.14Å; D373-I376 PolarHBondContact O-N 3.37Å; D373-I376 VanDerWaalsContact O-N 3.15Å; D373-I376 WeakPolarHBondContact OD1-CD1 3.46Å; I376-F378 VanDerWaalsContact C-N 3.29Å; I376-F378 PolarHBondContact O-N 2.94Å; I376-Y379 PolarHBondContact O-N 3.19Å; I376-N380 WeakPolarHBondContact CG2-ND2 3.31Å; I376-N380 PolarHBondContact O-N 2.75Å; I376-N380 PolarHBondContact O-ND2 2.71Å; I376-I423 HydrophobicContact CG1-CG2 4.48Å; I376-I423 HydrophobicContact CG2-CB 4.22Å; I376-I423 HydrophobicContact CG2-CG2 4.28Å; I376-I423 VanDerWaalsContact CG2-O 3.31Å; I376-I423 WeakPolarHBondContact CG2-O 3.25Å; I376-R425 HydrophobicContact CD1-CB 3.84Å; I376-L430 HydrophobicContact CG1-CD2 4.32Å
377	P	81.6	Confident	78.9	Confident	40 Å²	40	37 Å²	37	26%	0.26	19%	0.192	S	C	.	.	H	α-helix	trans	-61	-36	175.6	-23.8	35	0	0	0	113.1	W331 D373 N380 V381	W331-P377 HydrophobicContact CD2-CB 4.16Å; W331-P377 HydrophobicContact CZ2-CB 3.96Å; W331-P377 HydrophobicContact CZ2-CG 4.47Å; D373-P377 WeakPolarHBondContact O-CD 3.18Å; P377-N380 PolarHBondContact O-N 3.02Å; P377-V381 PolarHBondContact O-N 2.92Å; P377-V381 VanDerWaalsContact O-N 3.16Å
378	F	79.6	Confident	80	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.009	21%	0.21	C	C	.	.	H	α-helix	trans	-68.4	-47.8	176.8	156.6	-99.9	0	0	0	111.8	F299 A329 F336 C375 I376 N380 V381 V382 W609	F299-F378 HydrophobicContact CD1-CD1 4.47Å; F299-F378 HydrophobicContact CD1-CE1 4.24Å; F299-F378 HydrophobicContact CE1-CD1 4Å; F299-F378 AromaticContact CE1-CE1 3.41Å; F299-F378 HydrophobicContact CE1-CE1 3.41Å; F299-F378 VanDerWaalsContact CE1-CE1 3.41Å; F299-F378 AromaticContact CE1-CZ 3.99Å; F299-F378 HydrophobicContact CE1-CZ 3.99Å; F299-F378 AromaticContact CZ-CE1 3.93Å; F299-F378 HydrophobicContact CZ-CE1 3.93Å; A329-F378 HydrophobicContact CB-CD2 3.92Å; A329-F378 HydrophobicContact CB-CE2 3.62Å; F336-F378 HydrophobicContact CB-CD2 4.01Å; F336-F378 HydrophobicContact CB-CE2 4.49Å; F336-F378 HydrophobicContact CB-CG 4.4Å; F336-F378 HydrophobicContact CD1-CB 3.88Å; F336-F378 HydrophobicContact CD1-CG 4.06Å; F336-F378 HydrophobicContact CD2-CB 4.12Å; F336-F378 HydrophobicContact CE1-CB 3.85Å; F336-F378 HydrophobicContact CE1-CG 4.49Å; F336-F378 HydrophobicContact CE2-CB 4.09Å; F336-F378 HydrophobicContact CG-CB 4.02Å; F336-F378 HydrophobicContact CG-CD2 4.12Å; F336-F378 HydrophobicContact CG-CG 4.12Å; F336-F378 HydrophobicContact CZ-CB 3.95Å; C375-F378 WeakPolarHBondContact O-CB 3.35Å; C375-F378 PolarHBondContact O-N 3.06Å; I376-F378 VanDerWaalsContact C-N 3.29Å; I376-F378 PolarHBondContact O-N 2.94Å; F378-N380 PolarHBondContact O-N 2.81Å; F378-V381 WeakPolarHBondContact O-CA 3.38Å; F378-V381 VanDerWaalsContact O-CB 3.3Å; F378-V381 WeakPolarHBondContact O-CB 3.35Å; F378-V381 PolarHBondContact O-N 2.72Å; F378-V382 HydrophobicContact CD2-CG2 4.32Å; F378-V382 HydrophobicContact CE1-CG2 4.28Å; F378-V382 HydrophobicContact CE2-CG2 3.61Å; F378-V382 HydrophobicContact CZ-CG2 3.58Å; F378-V382 PolarHBondContact O-N 3.25Å; F378-V382 VanDerWaalsContact O-N 3.14Å; F378-W609 HydrophobicContact CE2-CD2 4.13Å; F378-W609 HydrophobicContact CE2-CE3 4.05Å; F378-W609 HydrophobicContact CE2-CH2 4.19Å; F378-W609 HydrophobicContact CE2-CZ2 4.3Å; F378-W609 HydrophobicContact CE2-CZ3 4.06Å; F378-W609 AromaticContact CZ-CD2 3.68Å; F378-W609 HydrophobicContact CZ-CD2 3.68Å; F378-W609 AromaticContact CZ-CE3 3.52Å; F378-W609 HydrophobicContact CZ-CE3 3.52Å; F378-W609 HydrophobicContact CZ-CG 4.13Å; F378-W609 HydrophobicContact CZ-CH2 4.46Å; F378-W609 AromaticContact CZ-CZ3 3.92Å; F378-W609 HydrophobicContact CZ-CZ3 3.92Å
379	Y	80.3	Confident	81.2	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.1	-36.7	175.4	-57.1	-48.4	0	0	0	111.2	L293 L295 F299 P370 C375 I376 V381 V382 F383 I423 L430 L611	L293-Y379 HydrophobicContact CD1-CD1 4.3Å; L293-Y379 HydrophobicContact CD1-CD2 4.39Å; L293-Y379 HydrophobicContact CD1-CE1 4.44Å; L293-Y379 HydrophobicContact CD1-CG 4.32Å; L295-Y379 HydrophobicContact CD1-CE1 3.88Å; L295-Y379 WeakPolarHBondContact CD1-OH 2.97Å; F299-Y379 HydrophobicContact CE2-CE1 4.28Å; F299-Y379 WeakPolarHBondContact CE2-OH 2.84Å; F299-Y379 AromaticContact CZ-CE1 3.86Å; F299-Y379 HydrophobicContact CZ-CE1 3.86Å; P370-Y379 PolarHBondContact O-OH 3.19Å; C375-Y379 HydrophobicContact CB-CD2 4.25Å; C375-Y379 HydrophobicContact CB-CE2 3.46Å; C375-Y379 VanDerWaalsContact CB-CE2 3.46Å; C375-Y379 VanDerWaalsContact O-CD2 3.24Å; C375-Y379 WeakPolarHBondContact O-CD2 3.38Å; C375-Y379 PolarHBondContact O-N 3.07Å; I376-Y379 PolarHBondContact O-N 3.19Å; Y379-V381 VanDerWaalsContact C-N 3.27Å; Y379-V381 PolarHBondContact O-N 2.97Å; Y379-V382 PolarHBondContact O-N 3.22Å; Y379-F383 WeakPolarHBondContact O-CD2 3.41Å; Y379-F383 PolarHBondContact O-N 3.39Å; Y379-I423 HydrophobicContact CD2-CG2 4.17Å; Y379-L430 HydrophobicContact CD2-CD1 4.34Å; Y379-L430 HydrophobicContact CE2-CD1 3.74Å; Y379-L611 HydrophobicContact CD1-CD2 4.11Å; Y379-L611 HydrophobicContact CE1-CD2 4.03Å
380	N	84.8	Confident	82.4	Confident	36 Å²	36	42.6 Å²	42.6	19%	0.193	21%	0.211	C	C	.	.	H	α-helix	trans	-68.5	-15.9	172.3	-74.5	-60.9	0	0	0	114.2	I376 P377 F378 R384 A422 I423	I376-N380 WeakPolarHBondContact CG2-ND2 3.31Å; I376-N380 PolarHBondContact O-N 2.75Å; I376-N380 PolarHBondContact O-ND2 2.71Å; P377-N380 PolarHBondContact O-N 3.02Å; F378-N380 PolarHBondContact O-N 2.81Å; N380-R384 WeakPolarHBondContact O-CG 3.15Å; N380-R384 PolarHBondContact O-NE 2.85Å; N380-A422 WeakPolarHBondContact OD1-CA 3.03Å; N380-I423 PolarHBondContact OD1-N 3.21Å
381	V	83.6	Confident	83.5	Confident	41 Å²	41	42.8 Å²	42.8	25%	0.248	22%	0.218	C	C	.	.	H	α-helix	trans	-76.1	-50.4	165.8	175.6	0	0	0	0	110.1	P377 F378 Y379 F383 R384 R385	P377-V381 PolarHBondContact O-N 2.92Å; P377-V381 VanDerWaalsContact O-N 3.16Å; F378-V381 WeakPolarHBondContact O-CA 3.38Å; F378-V381 VanDerWaalsContact O-CB 3.3Å; F378-V381 WeakPolarHBondContact O-CB 3.35Å; F378-V381 PolarHBondContact O-N 2.72Å; Y379-V381 VanDerWaalsContact C-N 3.27Å; Y379-V381 PolarHBondContact O-N 2.97Å; V381-F383 VanDerWaalsContact C-N 3.32Å; V381-F383 PolarHBondContact O-N 2.78Å; V381-R384 VanDerWaalsContact CG2-NH2 3.34Å; V381-R384 PolarHBondContact O-N 2.95Å; V381-R385 PolarHBondContact O-N 2.65Å; V381-R385 VanDerWaalsContact O-N 3.12Å
382	V	82.8	Confident	84.7	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-59.2	-44.8	-178.6	-175.2	0	0	0	0	110.8	F378 Y379 R384 R385 V386 W609 L611	F378-V382 HydrophobicContact CD2-CG2 4.32Å; F378-V382 HydrophobicContact CE1-CG2 4.28Å; F378-V382 HydrophobicContact CE2-CG2 3.61Å; F378-V382 HydrophobicContact CZ-CG2 3.58Å; F378-V382 PolarHBondContact O-N 3.25Å; F378-V382 VanDerWaalsContact O-N 3.14Å; Y379-V382 PolarHBondContact O-N 3.22Å; V382-R384 PolarHBondContact O-N 3.09Å; V382-R385 WeakPolarHBondContact O-CB 3.39Å; V382-R385 PolarHBondContact O-N 2.79Å; V382-R385 VanDerWaalsContact O-N 3.07Å; V382-V386 PolarHBondContact O-N 3.36Å; V382-W609 HydrophobicContact CG1-CG 4.43Å; V382-W609 HydrophobicContact CG2-CG 4.13Å; V382-L611 HydrophobicContact CB-CD1 4.18Å; V382-L611 HydrophobicContact CG1-CD1 3.78Å; V382-L611 HydrophobicContact CG2-CD1 4.42Å
383	F	86.2	Confident	85.5	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.009	21%	0.207	C	C	.	.	H	α-helix	trans	-65.6	-36.1	178.8	-87.2	-94.2	0	0	0	113.4	K290 Y379 V381 R385 V386 M387 I423 L432 L606 L611 I613	K290-F383 VanDerWaalsContact CE-CZ 3.49Å; Y379-F383 WeakPolarHBondContact O-CD2 3.41Å; Y379-F383 PolarHBondContact O-N 3.39Å; V381-F383 VanDerWaalsContact C-N 3.32Å; V381-F383 PolarHBondContact O-N 2.78Å; F383-R385 VanDerWaalsContact C-N 3.28Å; F383-R385 PolarHBondContact O-N 3.17Å; F383-V386 PolarHBondContact O-N 3.37Å; F383-M387 WeakPolarHBondContact O-CG 3.46Å; F383-M387 PolarHBondContact O-N 2.93Å; F383-I423 HydrophobicContact CD2-CD1 4.01Å; F383-I423 HydrophobicContact CE2-CD1 4.32Å; F383-I423 HydrophobicContact CG-CD1 4.4Å; F383-L432 HydrophobicContact CD1-CD1 4.26Å; F383-L432 HydrophobicContact CD1-CD2 3.9Å; F383-L432 HydrophobicContact CE1-CD2 4.01Å; F383-L432 HydrophobicContact CG-CD1 4.46Å; F383-L606 HydrophobicContact CE1-CD2 4.33Å; F383-L606 HydrophobicContact CE2-CD2 3.79Å; F383-L606 HydrophobicContact CZ-CD2 3.53Å; F383-L611 HydrophobicContact CE2-CD1 4.23Å; F383-I613 HydrophobicContact CE1-CD1 3.49Å; F383-I613 VanDerWaalsContact CE1-CD1 3.49Å; F383-I613 HydrophobicContact CE1-CG1 4.16Å; F383-I613 HydrophobicContact CZ-CD1 3.56Å; F383-I613 HydrophobicContact CZ-CG1 3.82Å
384	R	87.8	Confident	86.1	Confident	71 Å²	71	42.2 Å²	42.2	27%	0.268	21%	0.208	S	C	.	.	H	α-helix	trans	-62.2	-35	170.9	-78.9	-178.3	-74.2	157.7	-5	112.6	N380 V381 V382 K388	N380-R384 WeakPolarHBondContact O-CG 3.15Å; N380-R384 PolarHBondContact O-NE 2.85Å; V381-R384 VanDerWaalsContact CG2-NH2 3.34Å; V381-R384 PolarHBondContact O-N 2.95Å; V382-R384 PolarHBondContact O-N 3.09Å; R384-K388 PolarHBondContact O-N 2.84Å
385	R	87.4	Confident	86.5	Confident	124 Å²	124	37.8 Å²	37.8	47%	0.468	18%	0.184	S	C	.	.	H	α-helix	trans	-68.9	-43.7	175.5	-169.4	177	178.4	-175.3	1.2	111.7	V381 V382 F383 M387 K388 I389 E605	V381-R385 PolarHBondContact O-N 2.65Å; V381-R385 VanDerWaalsContact O-N 3.12Å; V382-R385 WeakPolarHBondContact O-CB 3.39Å; V382-R385 PolarHBondContact O-N 2.79Å; V382-R385 VanDerWaalsContact O-N 3.07Å; F383-R385 VanDerWaalsContact C-N 3.28Å; F383-R385 PolarHBondContact O-N 3.17Å; R385-M387 PolarHBondContact O-N 3.22Å; R385-K388 PolarHBondContact O-N 3.22Å; R385-I389 HydrophobicContact CG-CD1 4.21Å; R385-I389 WeakPolarHBondContact O-CG1 3.32Å; R385-I389 PolarHBondContact O-N 3.15Å; R385-E605 WeakPolarHBondContact CD-OE1 3.33Å; R385-E605 HydrophobicContact CG-CG 4.41Å; R385-E605 VanDerWaalsContact CZ-CD 3.44Å; R385-E605 IonicContact CZ-OE1 3.16Å; R385-E605 IonicContact CZ-OE2 2.86Å; R385-E605 IonicContact NE-OE1 2.73Å; R385-E605 IonicContact NE-OE2 3.6Å; R385-E605 IonicContact NH1-OE1 2.73Å; R385-E605 PolarHBondContact NH1-OE1 3.33Å; R385-E605 IonicContact NH1-OE2 3.6Å; R385-E605 PolarHBondContact NH1-OE2 2.91Å; R385-E605 IonicContact NH2-OE2 2.7Å
386	V	89.9	Confident	86.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-57.3	-47.5	173.3	167.6	0	0	0	0	111.4	V382 F383 K388 I389 I390 I596 L606	V382-V386 PolarHBondContact O-N 3.36Å; F383-V386 PolarHBondContact O-N 3.37Å; V386-K388 VanDerWaalsContact C-N 3.25Å; V386-K388 PolarHBondContact O-N 3.11Å; V386-I389 PolarHBondContact O-N 3.3Å; V386-I390 PolarHBondContact O-N 2.8Å; V386-I390 VanDerWaalsContact O-N 3.12Å; V386-I596 HydrophobicContact CG1-CD1 4.28Å; V386-I596 HydrophobicContact CG1-CG1 4.03Å; V386-I596 HydrophobicContact CG1-CG2 3.77Å; V386-L606 HydrophobicContact CG2-CD1 4.29Å; V386-L606 HydrophobicContact CG2-CD2 3.96Å; V386-L606 HydrophobicContact CG2-CG 3.83Å
387	M	92.6	Very high	86.7	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.6	-37.3	176.9	-63.6	-70.4	139.9	0	0	112.3	F383 R385 I390 L392 H399 T421 L592 I596	F383-M387 WeakPolarHBondContact O-CG 3.46Å; F383-M387 PolarHBondContact O-N 2.93Å; R385-M387 PolarHBondContact O-N 3.22Å; M387-I390 VanDerWaalsContact O-CG1 3.24Å; M387-I390 WeakPolarHBondContact O-CG1 3.37Å; M387-I390 HydrophobicContact SD-CD1 4.36Å; M387-L392 HydrophobicContact CB-CD1 4.5Å; M387-L392 WeakPolarHBondContact O-CB 3.33Å; M387-L392 PolarHBondContact O-N 3.07Å; M387-L392 VanDerWaalsContact O-N 3.14Å; M387-L392 HydrophobicContact SD-CD1 3.87Å; M387-H399 HydrophobicContact CB-CB 4.12Å; M387-H399 HydrophobicContact CG-CB 4.38Å; M387-T421 HydrophobicContact CE-CG2 3.88Å; M387-T421 HydrophobicContact SD-CG2 4.13Å; M387-L592 HydrophobicContact CE-CD1 4.29Å; M387-L592 HydrophobicContact CE-CD2 4.28Å; M387-L592 HydrophobicContact SD-CD1 4.09Å; M387-I596 HydrophobicContact CE-CD1 3.72Å
388	K	91	Very high	87.2	Confident	154 Å²	154	45 Å²	45	67%	0.67	22%	0.217	S	C	*	.	H	α-helix	trans	-71	-34.4	175	-172.6	-176.4	175.8	-172.3	0	113	R384 R385 V386 I390 G391	R384-K388 PolarHBondContact O-N 2.84Å; R385-K388 PolarHBondContact O-N 3.22Å; V386-K388 VanDerWaalsContact C-N 3.25Å; V386-K388 PolarHBondContact O-N 3.11Å; K388-I390 VanDerWaalsContact C-N 3.34Å; K388-G391 PolarHBondContact O-N 3.3Å
389	I	92.9	Very high	87.8	Confident	52 Å²	52	45 Å²	45	27%	0.267	22%	0.218	S	C	.	.	H	α-helix	trans	-66.7	-36.7	178.2	-69.8	163.5	0	0	0	111	R385 V386 G391 N599 E601 E605	R385-I389 HydrophobicContact CG-CD1 4.21Å; R385-I389 WeakPolarHBondContact O-CG1 3.32Å; R385-I389 PolarHBondContact O-N 3.15Å; V386-I389 PolarHBondContact O-N 3.3Å; I389-G391 PolarHBondContact O-N 2.91Å; I389-N599 PolarHBondContact O-ND2 2.76Å; I389-E601 HydrophobicContact CG2-CB 3.78Å; I389-E605 HydrophobicContact CD1-CB 3.99Å; I389-E605 HydrophobicContact CD1-CG 4.3Å
390	I	93	Very high	88.4	Confident	29 Å²	29	45.4 Å²	45.4	15%	0.149	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	22.7	173.2	66	164.2	0	0	0	113.6	V386 M387 K388 L392 L592 N595 I596 N599	V386-I390 PolarHBondContact O-N 2.8Å; V386-I390 VanDerWaalsContact O-N 3.12Å; M387-I390 VanDerWaalsContact O-CG1 3.24Å; M387-I390 WeakPolarHBondContact O-CG1 3.37Å; M387-I390 HydrophobicContact SD-CD1 4.36Å; K388-I390 VanDerWaalsContact C-N 3.34Å; I390-L392 VanDerWaalsContact C-N 3.33Å; I390-L392 HydrophobicContact CD1-CD1 3.84Å; I390-L392 HydrophobicContact CD1-CG 4.2Å; I390-L392 HydrophobicContact CG1-CD1 4.26Å; I390-L392 HydrophobicContact CG1-CG 4.18Å; I390-L392 PolarHBondContact O-N 3.18Å; I390-L592 HydrophobicContact CD1-CD1 3.59Å; I390-N595 WeakPolarHBondContact CG2-O 3.38Å; I390-I596 HydrophobicContact CD1-CG1 3.87Å; I390-I596 HydrophobicContact CG2-CG1 4.33Å; I390-N599 HydrophobicContact CG2-CB 4.23Å
391	G	90.6	Very high	88.7	Confident	34 Å²	34	45.4 Å²	45.4	35%	0.351	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	-15.7	172	0	0	0	0	0	116.9	K388 I389 K393	K388-G391 PolarHBondContact O-N 3.3Å; I389-G391 PolarHBondContact O-N 2.91Å; G391-K393 WeakPolarHBondContact O-CD 3.36Å; G391-K393 PolarHBondContact O-NZ 3.23Å
392	L	92.9	Very high	88.9	Confident	15 Å²	15	45.1 Å²	45.1	8%	0.079	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-65.2	139	-175.6	-56.8	175.3	0	0	0	112.3	M387 I390 H399 D401 Y419 L592	M387-L392 HydrophobicContact CB-CD1 4.5Å; M387-L392 WeakPolarHBondContact O-CB 3.33Å; M387-L392 PolarHBondContact O-N 3.07Å; M387-L392 VanDerWaalsContact O-N 3.14Å; M387-L392 HydrophobicContact SD-CD1 3.87Å; I390-L392 VanDerWaalsContact C-N 3.33Å; I390-L392 HydrophobicContact CD1-CD1 3.84Å; I390-L392 HydrophobicContact CD1-CG 4.2Å; I390-L392 HydrophobicContact CG1-CD1 4.26Å; I390-L392 HydrophobicContact CG1-CG 4.18Å; I390-L392 PolarHBondContact O-N 3.18Å; L392-H399 HydrophobicContact CB-CB 3.91Å; L392-H399 HydrophobicContact CD1-CB 4.01Å; L392-D401 HydrophobicContact CD2-CB 3.76Å; L392-Y419 HydrophobicContact CD1-CD2 3.93Å; L392-Y419 HydrophobicContact CD1-CE2 4.36Å; L392-L592 HydrophobicContact CD1-CD1 4.23Å
393	K	89.9	Confident	89.1	Confident	66 Å²	66	52.2 Å²	52.2	29%	0.287	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	127.1	179.6	-41.1	-58.5	-173.4	-97.5	0	109.7	G391 V395 Y400 P402 E403	G391-K393 WeakPolarHBondContact O-CD 3.36Å; G391-K393 PolarHBondContact O-NZ 3.23Å; K393-V395 PolarHBondContact O-N 2.91Å; K393-Y400 PolarHBondContact N-O 3.07Å; K393-Y400 PolarHBondContact O-N 3.37Å; K393-P402 HydrophobicContact CB-CG 4.3Å; K393-P402 HydrophobicContact CG-CG 3.53Å; K393-E403 IonicContact NZ-OE1 3.42Å; K393-E403 PolarHBondContact NZ-OE1 2.98Å
394	Q	88.1	Confident	89.2	Confident	92 Å²	92	55.3 Å²	55.3	43%	0.43	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	122.9	177.7	-171.3	-169.3	-26.4	0	0	110.6	A396 N398	Q394-A396 PolarHBondContact NE2-O 2.77Å; Q394-N398 CarbonylContact C-O 3.58Å; Q394-N398 WeakPolarHBondContact CA-O 3.49Å
395	V	84.8	Confident	89.2	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.024	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	116.1	170.6	-173.5	0	0	0	0	108.6	K393 R397 N398 Y400 W416 I475 N480 T482	K393-V395 PolarHBondContact O-N 2.91Å; V395-R397 PolarHBondContact O-N 2.85Å; V395-N398 PolarHBondContact N-O 3.25Å; V395-N398 PolarHBondContact O-N 3.46Å; V395-N398 VanDerWaalsContact O-N 3.12Å; V395-Y400 HydrophobicContact CB-CD2 3.7Å; V395-Y400 HydrophobicContact CB-CE2 3.93Å; V395-Y400 HydrophobicContact CG2-CD2 3.82Å; V395-W416 HydrophobicContact CG2-CZ3 4.38Å; V395-I475 HydrophobicContact CG1-CD1 3.91Å; V395-I475 HydrophobicContact CG2-CD1 4.22Å; V395-N480 HydrophobicContact CG2-CB 4.39Å; V395-T482 HydrophobicContact CG1-CG2 3.75Å
396	A	82.3	Confident	89.3	Confident	50 Å²	50	50.3 Å²	50.3	41%	0.413	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	-97.5	-168.5	0	0	0	0	0	113.2	Q394	Q394-A396 PolarHBondContact NE2-O 2.77Å
397	R	79.5	Confident	89.1	Confident	138 Å²	138	53.6 Å²	53.6	52%	0.521	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-13.4	179.9	-56.2	-169.7	-164.5	-162.3	7.9	114.2	G32 V395	G32-R397 PolarHBondContact O-NH2 3.23Å; V395-R397 PolarHBondContact O-N 2.85Å
398	N	90.3	Very high	88.7	Confident	31 Å²	31	54 Å²	54	17%	0.166	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	165.3	-171.4	-62	15.1	0	0	0	109.7	Q394 V395 Y400 A420 T437	Q394-N398 CarbonylContact C-O 3.58Å; Q394-N398 WeakPolarHBondContact CA-O 3.49Å; V395-N398 PolarHBondContact N-O 3.25Å; V395-N398 PolarHBondContact O-N 3.46Å; V395-N398 VanDerWaalsContact O-N 3.12Å; N398-Y400 HydrophobicContact CB-CD2 4.42Å; N398-Y400 HydrophobicContact CB-CE2 3.54Å; N398-Y400 WeakPolarHBondContact CB-OH 3.22Å; N398-Y400 PolarHBondContact ND2-OH 2.94Å; N398-Y400 VanDerWaalsContact ND2-OH 3.16Å; N398-A420 WeakPolarHBondContact ND2-CB 3.37Å; N398-T437 PolarHBondContact ND2-OG1 3.37Å
399	H	92.9	Very high	88	Confident	3 Å²	3	54.3 Å²	54.3	1%	0.014	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.5	-178.4	-53.2	85.1	0	0	0	109.1	M387 L392 G418 Y419 T421	M387-H399 HydrophobicContact CB-CB 4.12Å; M387-H399 HydrophobicContact CG-CB 4.38Å; L392-H399 HydrophobicContact CB-CB 3.91Å; L392-H399 HydrophobicContact CD1-CB 4.01Å; H399-G418 CarbonylContact O-C 3.53Å; H399-G418 WeakPolarHBondContact O-CA 3.24Å; H399-Y419 PolarHBondContact N-O 3.14Å; H399-Y419 PolarHBondContact O-N 2.95Å; H399-T421 PolarHBondContact ND1-OG1 3.43Å
400	Y	92.9	Very high	87.3	Confident	9 Å²	9	60.2 Å²	60.2	4%	0.035	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	155.9	-175.7	-63	-80.8	0	0	0	111.1	K393 V395 N398 W416 P417 T437 K439	K393-Y400 PolarHBondContact N-O 3.07Å; K393-Y400 PolarHBondContact O-N 3.37Å; V395-Y400 HydrophobicContact CB-CD2 3.7Å; V395-Y400 HydrophobicContact CB-CE2 3.93Å; V395-Y400 HydrophobicContact CG2-CD2 3.82Å; N398-Y400 HydrophobicContact CB-CD2 4.42Å; N398-Y400 HydrophobicContact CB-CE2 3.54Å; N398-Y400 WeakPolarHBondContact CB-OH 3.22Å; N398-Y400 PolarHBondContact ND2-OH 2.94Å; N398-Y400 VanDerWaalsContact ND2-OH 3.16Å; Y400-W416 HydrophobicContact CD1-CB 4.5Å; Y400-P417 WeakPolarHBondContact CA-O 3.2Å; Y400-T437 WeakPolarHBondContact CE1-O 3.35Å; Y400-T437 WeakPolarHBondContact CE1-OG1 3.26Å; Y400-T437 PolarHBondContact OH-OG1 2.7Å; Y400-T437 VanDerWaalsContact OH-OG1 3.06Å; Y400-K439 HydrophobicContact CD1-CB 3.74Å; Y400-K439 HydrophobicContact CD2-CB 4.23Å; Y400-K439 HydrophobicContact CE1-CB 3.59Å; Y400-K439 HydrophobicContact CE2-CB 4.05Å; Y400-K439 HydrophobicContact CG-CB 4.08Å
401	D	92	Very high	86.3	Confident	35 Å²	35	60.8 Å²	60.8	19%	0.187	32%	0.319	C	S	.	.			trans	-104.4	109.1	171.8	-173.2	-3.1	0	0	0	109.6	L392 E403 S404 P417	L392-D401 HydrophobicContact CD2-CB 3.76Å; D401-E403 VanDerWaalsContact C-N 3.33Å; D401-E403 WeakPolarHBondContact OD1-CA 3.3Å; D401-E403 WeakPolarHBondContact OD1-CB 3.15Å; D401-E403 PolarHBondContact OD1-N 3.01Å; D401-S404 PolarHBondContact OD1-N 3.42Å; D401-S404 WeakPolarHBondContact OD2-CB 3.36Å; D401-S404 PolarHBondContact OD2-N 2.92Å; D401-S404 PolarHBondContact OD2-OG 3.16Å; D401-P417 HydrophobicContact CB-CG 4.46Å; D401-P417 PolarHBondContact N-O 3.08Å
402	P	86.9	Confident	85.9	Confident	35 Å²	35	65.3 Å²	65.3	23%	0.227	33%	0.325	C	S	.	.	S	Bend	trans	-78	-16.7	172.6	-10.5	27.8	0	0	0	113.6	K393 A405 W416	K393-P402 HydrophobicContact CB-CG 4.3Å; K393-P402 HydrophobicContact CG-CG 3.53Å; P402-A405 WeakPolarHBondContact O-CB 3.45Å; P402-W416 HydrophobicContact CB-CD2 4.08Å; P402-W416 HydrophobicContact CB-CE3 4.2Å; P402-W416 HydrophobicContact CB-CH2 3.94Å; P402-W416 HydrophobicContact CB-CZ2 3.8Å; P402-W416 HydrophobicContact CB-CZ3 4.14Å; P402-W416 HydrophobicContact CG-CD2 4.39Å; P402-W416 HydrophobicContact CG-CE3 4.02Å; P402-W416 HydrophobicContact CG-CH2 4.02Å; P402-W416 HydrophobicContact CG-CZ2 4.38Å; P402-W416 HydrophobicContact CG-CZ3 3.83Å
403	E	87.9	Confident	85.6	Confident	152 Å²	152	64.6 Å²	64.6	71%	0.71	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-36.7	-177	-65.7	153.8	-133	0	0	109.2	K393 D401 A405	K393-E403 IonicContact NZ-OE1 3.42Å; K393-E403 PolarHBondContact NZ-OE1 2.98Å; D401-E403 VanDerWaalsContact C-N 3.33Å; D401-E403 WeakPolarHBondContact OD1-CA 3.3Å; D401-E403 WeakPolarHBondContact OD1-CB 3.15Å; D401-E403 PolarHBondContact OD1-N 3.01Å; E403-A405 PolarHBondContact O-N 3.35Å
404	S	87.8	Confident	85.5	Confident	68 Å²	68	63.2 Å²	63.2	48%	0.476	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	28.1	167.7	-55.9	0	0	0	0	114.5	D401 P417	D401-S404 PolarHBondContact OD1-N 3.42Å; D401-S404 WeakPolarHBondContact OD2-CB 3.36Å; D401-S404 PolarHBondContact OD2-N 2.92Å; D401-S404 PolarHBondContact OD2-OG 3.16Å; S404-P417 WeakPolarHBondContact O-CD 3.27Å; S404-P417 WeakPolarHBondContact O-CG 3.28Å
405	A	87.9	Confident	85.6	Confident	28 Å²	28	58.9 Å²	58.9	23%	0.231	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-75	124.9	-174.9	0	0	0	0	0	113.6	P402 E403 W416	P402-A405 WeakPolarHBondContact O-CB 3.45Å; E403-A405 PolarHBondContact O-N 3.35Å; A405-W416 HydrophobicContact CB-CG 4.36Å
406	V	88.4	Confident	85.9	Confident	61 Å²	61	59.3 Å²	59.3	37%	0.37	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	121.3	173.7	-178.9	0	0	0	0	109.9	L408 Q414 V415	V406-L408 HydrophobicContact CG1-CD2 4.31Å; V406-Q414 CarbonylContact O-C 3.35Å; V406-Q414 WeakPolarHBondContact O-CA 3.47Å; V406-V415 HydrophobicContact CB-CB 4.41Å; V406-V415 PolarHBondContact N-O 3.34Å; V406-V415 PolarHBondContact O-N 2.96Å
407	V	86.8	Confident	86.4	Confident	69 Å²	69	58.7 Å²	58.7	42%	0.418	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	129.4	176.6	-170.2	0	0	0	0	110	E409 Q414	V407-E409 HydrophobicContact CG1-CG 3.95Å; V407-Q414 HydrophobicContact CG1-CG 4.48Å; V407-Q414 HydrophobicContact CG2-CG 4.09Å
408	L	84	Confident	87	Confident	10 Å²	10	52.1 Å²	52.1	5%	0.052	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	83.4	171.9	-58	179.2	0	0	0	108.4	V406 K410 Q411 R412 L413 V415 L574	V406-L408 HydrophobicContact CG1-CD2 4.31Å; L408-K410 PolarHBondContact O-N 2.83Å; L408-Q411 CarbonylContact O-C 3.59Å; L408-Q411 PolarHBondContact O-N 3.45Å; L408-R412 PolarHBondContact O-N 3.24Å; L408-L413 HydrophobicContact CB-CB 4.26Å; L408-L413 PolarHBondContact N-O 3.08Å; L408-L413 PolarHBondContact O-N 2.97Å; L408-L413 VanDerWaalsContact O-N 3.12Å; L408-V415 HydrophobicContact CD1-CG2 4.08Å; L408-L574 HydrophobicContact CD1-CB 4.26Å; L408-L574 HydrophobicContact CD1-CD1 3.81Å
409	E	77.1	Confident	87.1	Confident	159 Å²	159	51.8 Å²	51.8	74%	0.743	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-57.1	-46.7	-169.3	-60.8	-177.1	152	0	0	112.8	V407 Q411 R412	V407-E409 HydrophobicContact CG1-CG 3.95Å; E409-Q411 PolarHBondContact O-N 3.14Å; E409-Q411 VanDerWaalsContact O-N 3.13Å; E409-R412 PolarHBondContact O-N 3.1Å
410	K	76.8	Confident	87	Confident	177 Å²	177	52.3 Å²	52.3	77%	0.77	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-59.3	-26.2	-179	-64.6	171.3	-172.8	161	0	113.5	L408	L408-K410 PolarHBondContact O-N 2.83Å
411	Q	73.5	Confident	86.7	Confident	41 Å²	41	52.9 Å²	52.9	19%	0.192	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-106.4	0.1	177.6	-63.5	81.1	14	0	0	112.8	L408 E409 L413 M564 A570 E573	L408-Q411 CarbonylContact O-C 3.59Å; L408-Q411 PolarHBondContact O-N 3.45Å; E409-Q411 PolarHBondContact O-N 3.14Å; E409-Q411 VanDerWaalsContact O-N 3.13Å; Q411-L413 HydrophobicContact CB-CD1 4.34Å; Q411-L413 HydrophobicContact CB-CG 4.06Å; Q411-L413 PolarHBondContact O-N 3.49Å; Q411-M564 HydrophobicContact CB-CE 4.48Å; Q411-M564 HydrophobicContact CG-CE 4.15Å; Q411-A570 HydrophobicContact CG-CB 3.89Å; Q411-E573 PolarHBondContact NE2-OE2 3.25Å
412	R	82.1	Confident	86.4	Confident	128 Å²	128	53 Å²	53	48%	0.483	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	42.6	-173.2	-57.2	179.1	74.5	-152.9	-9	112.6	L408 E409 N443 D444	L408-R412 PolarHBondContact O-N 3.24Å; E409-R412 PolarHBondContact O-N 3.1Å; R412-N443 HydrophobicContact CB-CB 4.43Å; R412-N443 VanDerWaalsContact O-CB 3.31Å; R412-N443 WeakPolarHBondContact O-CB 3.21Å; R412-N443 PolarHBondContact O-N 2.89Å; R412-D444 WeakPolarHBondContact CB-OD1 3.48Å; R412-D444 IonicContact CZ-OD1 3.42Å; R412-D444 IonicContact CZ-OD2 3.2Å; R412-D444 IonicContact NE-OD1 3.95Å; R412-D444 PolarHBondContact NE-OD1 3.39Å; R412-D444 VanDerWaalsContact NE-OD1 3.13Å; R412-D444 VanDerWaalsContact NH1-CG 3.28Å; R412-D444 IonicContact NH1-OD1 3.31Å; R412-D444 PolarHBondContact NH1-OD1 3.02Å; R412-D444 IonicContact NH1-OD2 3.2Å; R412-D444 PolarHBondContact NH1-OD2 3.33Å; R412-D444 IonicContact NH2-OD1 2.79Å; R412-D444 PolarHBondContact NH2-OD1 3.48Å; R412-D444 IonicContact NH2-OD2 3.12Å
413	L	86.1	Confident	86.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	161.6	176.1	-60.4	-175.5	0	0	0	112.8	L408 Q411 V440 L441 Q442 N443 M564 L574	L408-L413 HydrophobicContact CB-CB 4.26Å; L408-L413 PolarHBondContact N-O 3.08Å; L408-L413 PolarHBondContact O-N 2.97Å; L408-L413 VanDerWaalsContact O-N 3.12Å; Q411-L413 HydrophobicContact CB-CD1 4.34Å; Q411-L413 HydrophobicContact CB-CG 4.06Å; Q411-L413 PolarHBondContact O-N 3.49Å; L413-V440 HydrophobicContact CD1-CG1 3.89Å; L413-V440 HydrophobicContact CD2-CG1 4.45Å; L413-L441 WeakPolarHBondContact CA-O 3.44Å; L413-L441 WeakPolarHBondContact CD2-O 3.11Å; L413-Q442 HydrophobicContact CD2-CB 4.31Å; L413-Q442 HydrophobicContact CD2-CG 3.55Å; L413-N443 PolarHBondContact O-ND2 3.16Å; L413-M564 HydrophobicContact CD1-CE 3.77Å; L413-M564 HydrophobicContact CD1-SD 3.6Å; L413-L574 HydrophobicContact CD1-CD2 4.19Å
414	Q	87.6	Confident	86	Confident	37 Å²	37	46.8 Å²	46.8	17%	0.173	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	141.4	162.3	-87.1	168.1	-0.5	0	0	109.5	V406 V407 V440 L441 N443	V406-Q414 CarbonylContact O-C 3.35Å; V406-Q414 WeakPolarHBondContact O-CA 3.47Å; V407-Q414 HydrophobicContact CG1-CG 4.48Å; V407-Q414 HydrophobicContact CG2-CG 4.09Å; Q414-V440 WeakPolarHBondContact O-CA 3.2Å; Q414-L441 HydrophobicContact CB-CB 4.45Å; Q414-L441 PolarHBondContact N-O 2.89Å; Q414-L441 PolarHBondContact O-N 3.33Å; Q414-N443 WeakPolarHBondContact CG-OD1 3.48Å
415	V	89.7	Confident	85.7	Confident	2 Å²	2	47 Å²	47	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	105.4	174.9	-174.6	0	0	0	0	107.7	V406 L408 H438 L574 I578	V406-V415 HydrophobicContact CB-CB 4.41Å; V406-V415 PolarHBondContact N-O 3.34Å; V406-V415 PolarHBondContact O-N 2.96Å; L408-V415 HydrophobicContact CD1-CG2 4.08Å; V415-H438 HydrophobicContact CG1-CB 3.89Å; V415-L574 HydrophobicContact CG2-CD1 3.64Å; V415-I578 HydrophobicContact CG1-CG2 3.77Å
416	W	90.9	Very high	85.6	Confident	12 Å²	12	46 Å²	46	5%	0.045	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	120.7	175.8	-63.5	1.6	0	0	0	109.3	V395 Y400 P402 A405 H438 K439 L441 N480	V395-W416 HydrophobicContact CG2-CZ3 4.38Å; Y400-W416 HydrophobicContact CD1-CB 4.5Å; P402-W416 HydrophobicContact CB-CD2 4.08Å; P402-W416 HydrophobicContact CB-CE3 4.2Å; P402-W416 HydrophobicContact CB-CH2 3.94Å; P402-W416 HydrophobicContact CB-CZ2 3.8Å; P402-W416 HydrophobicContact CB-CZ3 4.14Å; P402-W416 HydrophobicContact CG-CD2 4.39Å; P402-W416 HydrophobicContact CG-CE3 4.02Å; P402-W416 HydrophobicContact CG-CH2 4.02Å; P402-W416 HydrophobicContact CG-CZ2 4.38Å; P402-W416 HydrophobicContact CG-CZ3 3.83Å; A405-W416 HydrophobicContact CB-CG 4.36Å; W416-H438 WeakPolarHBondContact O-CA 3.34Å; W416-K439 HydrophobicContact CB-CB 4.38Å; W416-K439 PolarHBondContact N-O 2.91Å; W416-K439 PolarHBondContact O-N 2.86Å; W416-L441 HydrophobicContact CD2-CD1 3.72Å; W416-L441 HydrophobicContact CE3-CD1 4.07Å; W416-L441 HydrophobicContact CG-CD1 4.34Å; W416-L441 HydrophobicContact CH2-CD1 3.88Å; W416-L441 HydrophobicContact CZ2-CD1 3.5Å; W416-L441 HydrophobicContact CZ3-CD1 4.14Å; W416-N480 WeakPolarHBondContact CH2-OD1 3.4Å
417	P	93	Very high	85.4	Confident	37 Å²	37	45.2 Å²	45.2	24%	0.24	22%	0.219	C	C	.	.			trans	-69.9	160.3	170.3	31.4	-34.9	0	0	0	110.7	Y400 D401 S404	Y400-P417 WeakPolarHBondContact CA-O 3.2Å; D401-P417 HydrophobicContact CB-CG 4.46Å; D401-P417 PolarHBondContact N-O 3.08Å; S404-P417 WeakPolarHBondContact O-CD 3.27Å; S404-P417 WeakPolarHBondContact O-CG 3.28Å
418	G	93.1	Very high	85.1	Confident	1 Å²	1	44 Å²	44	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.9	-171	-176.6	0	0	0	0	0	114.3	H399 T437	H399-G418 CarbonylContact O-C 3.53Å; H399-G418 WeakPolarHBondContact O-CA 3.24Å; G418-T437 CarbonylContact C-O 3.56Å; G418-T437 WeakPolarHBondContact CA-O 3.25Å; G418-T437 PolarHBondContact N-O 2.96Å; G418-T437 PolarHBondContact O-N 2.88Å; G418-T437 VanDerWaalsContact O-O 3.07Å
419	Y	92.3	Very high	84.9	Confident	23 Å²	23	44.6 Å²	44.6	9%	0.09	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	129.5	-166.9	-51.1	-82.9	0	0	0	111	L392 H399 V434 E435 V436 S588 L592	L392-Y419 HydrophobicContact CD1-CD2 3.93Å; L392-Y419 HydrophobicContact CD1-CE2 4.36Å; H399-Y419 PolarHBondContact N-O 3.14Å; H399-Y419 PolarHBondContact O-N 2.95Å; Y419-V434 HydrophobicContact CD1-CG1 3.91Å; Y419-E435 CarbonylContact C-O 3.55Å; Y419-E435 WeakPolarHBondContact CA-O 3.42Å; Y419-V436 HydrophobicContact CD1-CG2 4.21Å; Y419-V436 HydrophobicContact CE1-CG2 4.08Å; Y419-S588 PolarHBondContact OH-O 2.81Å; Y419-L592 HydrophobicContact CD1-CB 4.43Å; Y419-L592 HydrophobicContact CD1-CD2 3.78Å; Y419-L592 HydrophobicContact CD2-CD1 3.91Å; Y419-L592 HydrophobicContact CD2-CD2 4.12Å; Y419-L592 HydrophobicContact CD2-CG 4.46Å; Y419-L592 HydrophobicContact CE1-CB 3.94Å; Y419-L592 HydrophobicContact CE1-CD2 4.15Å; Y419-L592 HydrophobicContact CE2-CB 4.27Å; Y419-L592 HydrophobicContact CE2-CD1 3.91Å; Y419-L592 HydrophobicContact CE2-CD2 4.5Å; Y419-L592 HydrophobicContact CE2-CG 4.44Å; Y419-L592 HydrophobicContact CG-CD1 4.41Å; Y419-L592 HydrophobicContact CG-CD2 3.76Å
420	A	89.6	Confident	85	Confident	14 Å²	14	37.8 Å²	37.8	12%	0.116	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	125.1	160.4	0	0	0	0	0	108	N398 V434 E435 T437	N398-A420 WeakPolarHBondContact ND2-CB 3.37Å; A420-V434 WeakPolarHBondContact O-CA 3.36Å; A420-E435 HydrophobicContact CB-CB 4.18Å; A420-E435 PolarHBondContact N-O 2.97Å; A420-E435 PolarHBondContact O-N 3.07Å; A420-T437 HydrophobicContact CB-CG2 3.89Å
421	T	88.2	Confident	85.2	Confident	21 Å²	21	30.4 Å²	30.4	13%	0.129	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.3	-174	47.9	0	0	0	0	110.9	M387 H399 S433 V434	M387-T421 HydrophobicContact CE-CG2 3.88Å; M387-T421 HydrophobicContact SD-CG2 4.13Å; H399-T421 PolarHBondContact ND1-OG1 3.43Å; T421-S433 VanDerWaalsContact CA-O 3.3Å; T421-S433 WeakPolarHBondContact CA-O 3.4Å; T421-V434 HydrophobicContact CG2-CG2 4.3Å
422	A	85.3	Confident	85.7	Confident	39 Å²	39	28.7 Å²	28.7	32%	0.322	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	123.2	-176.2	0	0	0	0	0	112.4	N380 L432 S433	N380-A422 WeakPolarHBondContact OD1-CA 3.03Å; A422-L432 CarbonylContact O-C 3.54Å; A422-L432 WeakPolarHBondContact O-CA 3.28Å; A422-S433 PolarHBondContact N-O 3.38Å; A422-S433 WeakPolarHBondContact O-CB 3.36Å; A422-S433 PolarHBondContact O-N 3.12Å
423	I	84.3	Confident	85.9	Confident	8 Å²	8	22.8 Å²	22.8	4%	0.041	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	132.8	172.3	-55.8	-76.6	0	0	0	109.1	I376 Y379 N380 F383 L430 Y431 L432	I376-I423 HydrophobicContact CG1-CG2 4.48Å; I376-I423 HydrophobicContact CG2-CB 4.22Å; I376-I423 HydrophobicContact CG2-CG2 4.28Å; I376-I423 VanDerWaalsContact CG2-O 3.31Å; I376-I423 WeakPolarHBondContact CG2-O 3.25Å; Y379-I423 HydrophobicContact CD2-CG2 4.17Å; N380-I423 PolarHBondContact OD1-N 3.21Å; F383-I423 HydrophobicContact CD2-CD1 4.01Å; F383-I423 HydrophobicContact CE2-CD1 4.32Å; F383-I423 HydrophobicContact CG-CD1 4.4Å; I423-L430 HydrophobicContact CG2-CD2 4.43Å; I423-Y431 WeakPolarHBondContact CA-O 3.34Å; I423-L432 HydrophobicContact CD1-CB 4.18Å; I423-L432 HydrophobicContact CD1-CD1 3.69Å; I423-L432 HydrophobicContact CG1-CD1 4.12Å
424	K	82.1	Confident	86	Confident	47 Å²	47	23.4 Å²	23.4	20%	0.204	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	152	174.4	-64.5	-179.2	-172.9	161	0	110.7	E288 T426 L430 Y431 S433 T915	E288-K424 WeakPolarHBondContact OE1-CE 3.24Å; E288-K424 IonicContact OE1-NZ 2.77Å; E288-K424 PolarHBondContact OE1-NZ 3.23Å; E288-K424 IonicContact OE2-NZ 2.65Å; K424-T426 HydrophobicContact CB-CG2 4.33Å; K424-L430 WeakPolarHBondContact O-CA 3.41Å; K424-Y431 PolarHBondContact N-O 3.2Å; K424-Y431 PolarHBondContact O-N 3.33Å; K424-S433 VanDerWaalsContact CE-OG 3.25Å; K424-S433 WeakPolarHBondContact CE-OG 3.18Å; K424-S433 PolarHBondContact NZ-OG 3.21Å; K424-S433 VanDerWaalsContact NZ-OG 3.08Å; K424-T915 PolarHBondContact NZ-OG1 2.97Å
425	R	82.1	Confident	86	Confident	74 Å²	74	23 Å²	23	28%	0.279	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	131.6	162.1	-173.2	-173.1	-163.4	-152.5	5.5	108.6	N371 D373 I376 G429 L430	N371-R425 WeakPolarHBondContact O-CD 3.3Å; N371-R425 PolarHBondContact O-NE 3.42Å; N371-R425 PolarHBondContact O-NH2 2.85Å; D373-R425 VanDerWaalsContact CG-CD 3.46Å; D373-R425 WeakPolarHBondContact OD1-CB 3.21Å; D373-R425 WeakPolarHBondContact OD1-CD 3.4Å; D373-R425 VanDerWaalsContact OD2-CD 3.27Å; D373-R425 WeakPolarHBondContact OD2-CD 3.34Å; D373-R425 IonicContact OD2-CZ 2.72Å; D373-R425 IonicContact OD2-NE 3.56Å; D373-R425 IonicContact OD2-NH1 3.82Å; D373-R425 PolarHBondContact OD2-NH1 2.74Å; I376-R425 HydrophobicContact CD1-CB 3.84Å; R425-G429 WeakPolarHBondContact CA-O 3.47Å; R425-L430 HydrophobicContact CB-CD2 3.88Å; R425-L430 HydrophobicContact CG-CD2 4.27Å
426	T	85.1	Confident	86	Confident	6 Å²	6	23.7 Å²	23.7	4%	0.037	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	-179.3	-179.9	65	0	0	0	0	109	K424 G428 G429 Y431 T937 L938 T939 K941	K424-T426 HydrophobicContact CB-CG2 4.33Å; T426-G428 VanDerWaalsContact C-N 3.3Å; T426-G428 PolarHBondContact O-N 3.18Å; T426-G429 PolarHBondContact N-O 3.21Å; T426-G429 PolarHBondContact O-N 3.5Å; T426-G429 VanDerWaalsContact O-N 3.11Å; T426-Y431 WeakPolarHBondContact OG1-CD2 3.37Å; T426-Y431 VanDerWaalsContact OG1-CE2 3.23Å; T426-Y431 WeakPolarHBondContact OG1-CE2 3.35Å; T426-T937 WeakPolarHBondContact CB-O 3.47Å; T426-T937 PolarHBondContact OG1-O 3.44Å; T426-L938 WeakPolarHBondContact CG2-O 3.43Å; T426-T939 CarbonylContact C-O 3.43Å; T426-T939 VanDerWaalsContact CA-O 3.24Å; T426-T939 WeakPolarHBondContact CA-O 3.37Å; T426-T939 VanDerWaalsContact CB-O 3.26Å; T426-T939 WeakPolarHBondContact CB-O 3.12Å; T426-K941 WeakPolarHBondContact O-CE 3.32Å; T426-K941 PolarHBondContact O-NZ 2.99Å
427	D	84.3	Confident	85.9	Confident	45 Å²	45	23.9 Å²	23.9	24%	0.241	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-48.9	178.8	-60.9	-27.7	0	0	0	112.9	K273 G429 T937 T939 K941	K273-D427 WeakPolarHBondContact CE-OD2 3.36Å; K273-D427 IonicContact NZ-OD1 2.61Å; K273-D427 PolarHBondContact NZ-OD1 2.91Å; K273-D427 VanDerWaalsContact NZ-OD1 3.14Å; K273-D427 IonicContact NZ-OD2 3.96Å; K273-D427 PolarHBondContact NZ-OD2 3.34Å; D427-G429 VanDerWaalsContact C-N 3.28Å; D427-G429 PolarHBondContact O-N 2.94Å; D427-T937 PolarHBondContact N-O 3Å; D427-T939 PolarHBondContact N-O 2.78Å; D427-T939 WeakPolarHBondContact OD2-CB 3.38Å; D427-T939 PolarHBondContact OD2-OG1 3.32Å; D427-K941 PolarHBondContact O-NZ 3Å; D427-K941 VanDerWaalsContact OD1-CA 3.3Å; D427-K941 WeakPolarHBondContact OD1-CA 3.46Å; D427-K941 PolarHBondContact OD1-N 3.48Å
428	G	79.3	Confident	85.8	Confident	43 Å²	43	24.3 Å²	24.3	44%	0.443	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-10.7	-177.5	0	0	0	0	0	115.8	T426 Y431 T937	T426-G428 VanDerWaalsContact C-N 3.3Å; T426-G428 PolarHBondContact O-N 3.18Å; G428-Y431 WeakPolarHBondContact CA-OH 3.08Å; G428-Y431 PolarHBondContact O-OH 3.37Å; G428-T937 PolarHBondContact N-O 3.14Å
429	G	80.6	Confident	85.5	Confident	23 Å²	23	26 Å²	26	24%	0.237	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	134.8	-129.6	175.9	0	0	0	0	0	113.9	R425 T426 D427	R425-G429 WeakPolarHBondContact CA-O 3.47Å; T426-G429 PolarHBondContact N-O 3.21Å; T426-G429 PolarHBondContact O-N 3.5Å; T426-G429 VanDerWaalsContact O-N 3.11Å; D427-G429 VanDerWaalsContact C-N 3.28Å; D427-G429 PolarHBondContact O-N 2.94Å
430	L	78.8	Confident	85.3	Confident	15 Å²	15	25.6 Å²	25.6	8%	0.079	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	121.8	177.6	-73.3	175.7	0	0	0	110.4	L293 P370 I376 Y379 I423 K424 R425	L293-L430 HydrophobicContact CD1-CB 4.41Å; L293-L430 HydrophobicContact CD1-CD1 4.14Å; P370-L430 WeakPolarHBondContact O-CD1 3.21Å; I376-L430 HydrophobicContact CG1-CD2 4.32Å; Y379-L430 HydrophobicContact CD2-CD1 4.34Å; Y379-L430 HydrophobicContact CE2-CD1 3.74Å; I423-L430 HydrophobicContact CG2-CD2 4.43Å; K424-L430 WeakPolarHBondContact O-CA 3.41Å; R425-L430 HydrophobicContact CB-CD2 3.88Å; R425-L430 HydrophobicContact CG-CD2 4.27Å
431	Y	80.6	Confident	85.1	Confident	23 Å²	23	24.9 Å²	24.9	9%	0.09	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	172.4	-179.7	-58.6	-70.4	0	0	0	111.6	K290 I423 K424 T426 G428 L618 T937 L938	K290-Y431 HydrophobicContact CB-CD1 4.24Å; I423-Y431 WeakPolarHBondContact CA-O 3.34Å; K424-Y431 PolarHBondContact N-O 3.2Å; K424-Y431 PolarHBondContact O-N 3.33Å; T426-Y431 WeakPolarHBondContact OG1-CD2 3.37Å; T426-Y431 VanDerWaalsContact OG1-CE2 3.23Å; T426-Y431 WeakPolarHBondContact OG1-CE2 3.35Å; G428-Y431 WeakPolarHBondContact CA-OH 3.08Å; G428-Y431 PolarHBondContact O-OH 3.37Å; Y431-L618 HydrophobicContact CD1-CD2 3.96Å; Y431-L618 HydrophobicContact CE1-CD2 3.46Å; Y431-L618 VanDerWaalsContact CE1-CD2 3.46Å; Y431-T937 HydrophobicContact CE2-CG2 4.32Å; Y431-L938 HydrophobicContact CD2-CD2 3.99Å; Y431-L938 HydrophobicContact CE2-CD2 4.17Å; Y431-L938 HydrophobicContact CG-CD2 4.46Å
432	L	84.5	Confident	85.1	Confident	4 Å²	4	25.2 Å²	25.2	2%	0.021	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	112.4	173.9	175.5	82.1	0	0	0	109.4	E288 V289 K290 F383 A422 I423 V434	E288-L432 WeakPolarHBondContact CG-O 3.32Å; V289-L432 CarbonylContact C-O 3.45Å; V289-L432 PolarHBondContact N-O 2.99Å; V289-L432 CarbonylContact O-C 3.57Å; V289-L432 WeakPolarHBondContact O-CA 3.29Å; V289-L432 VanDerWaalsContact O-CB 3.25Å; V289-L432 WeakPolarHBondContact O-CB 3.38Å; V289-L432 PolarHBondContact O-N 2.93Å; V289-L432 VanDerWaalsContact O-N 3.16Å; K290-L432 HydrophobicContact CD-CB 3.64Å; K290-L432 HydrophobicContact CG-CB 4.12Å; F383-L432 HydrophobicContact CD1-CD1 4.26Å; F383-L432 HydrophobicContact CD1-CD2 3.9Å; F383-L432 HydrophobicContact CE1-CD2 4.01Å; F383-L432 HydrophobicContact CG-CD1 4.46Å; A422-L432 CarbonylContact O-C 3.54Å; A422-L432 WeakPolarHBondContact O-CA 3.28Å; I423-L432 HydrophobicContact CD1-CB 4.18Å; I423-L432 HydrophobicContact CD1-CD1 3.69Å; I423-L432 HydrophobicContact CG1-CD1 4.12Å; L432-V434 HydrophobicContact CD2-CG2 3.56Å; L432-V434 HydrophobicContact CG-CG2 3.84Å; L432-V434 PolarHBondContact O-N 3.02Å; L432-V434 VanDerWaalsContact O-N 3.13Å
433	S	86	Confident	85	Confident	4 Å²	4	25.4 Å²	25.4	3%	0.028	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	118.1	159	-116.9	0	0	0	0	108.4	E288 T421 A422 K424 S914	E288-S433 WeakPolarHBondContact OE1-CA 3.15Å; E288-S433 WeakPolarHBondContact OE1-CB 3.41Å; E288-S433 PolarHBondContact OE1-N 2.93Å; E288-S433 PolarHBondContact OE1-OG 2.83Å; T421-S433 VanDerWaalsContact CA-O 3.3Å; T421-S433 WeakPolarHBondContact CA-O 3.4Å; A422-S433 PolarHBondContact N-O 3.38Å; A422-S433 WeakPolarHBondContact O-CB 3.36Å; A422-S433 PolarHBondContact O-N 3.12Å; K424-S433 VanDerWaalsContact CE-OG 3.25Å; K424-S433 WeakPolarHBondContact CE-OG 3.18Å; K424-S433 PolarHBondContact NZ-OG 3.21Å; K424-S433 VanDerWaalsContact NZ-OG 3.08Å; S433-S914 PolarHBondContact OG-OG 2.88Å
434	V	88	Confident	85	Confident	13 Å²	13	26.4 Å²	26.4	8%	0.079	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	108.1	163.9	-180	0	0	0	0	106.3	V289 Y419 A420 T421 L432 I589 L592	V289-V434 HydrophobicContact CB-CB 4.11Å; V289-V434 HydrophobicContact CB-CG2 3.72Å; V289-V434 HydrophobicContact CG1-CG2 3.95Å; V289-V434 HydrophobicContact CG2-CB 3.85Å; V289-V434 HydrophobicContact CG2-CG2 3.98Å; Y419-V434 HydrophobicContact CD1-CG1 3.91Å; A420-V434 WeakPolarHBondContact O-CA 3.36Å; T421-V434 HydrophobicContact CG2-CG2 4.3Å; L432-V434 HydrophobicContact CD2-CG2 3.56Å; L432-V434 HydrophobicContact CG-CG2 3.84Å; L432-V434 PolarHBondContact O-N 3.02Å; L432-V434 VanDerWaalsContact O-N 3.13Å; V434-I589 HydrophobicContact CG1-CG1 4Å; V434-L592 HydrophobicContact CG1-CD2 3.68Å; V434-L592 HydrophobicContact CG2-CD2 4.38Å
435	E	87.9	Confident	85.5	Confident	30 Å²	30	24.5 Å²	24.5	14%	0.14	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.7	174.6	-179.1	-171.4	166.3	0	0	107	Y419 A420 T437 S914	Y419-E435 CarbonylContact C-O 3.55Å; Y419-E435 WeakPolarHBondContact CA-O 3.42Å; A420-E435 HydrophobicContact CB-CB 4.18Å; A420-E435 PolarHBondContact N-O 2.97Å; A420-E435 PolarHBondContact O-N 3.07Å; E435-T437 HydrophobicContact CB-CG2 4.35Å; E435-T437 HydrophobicContact CG-CG2 3.9Å; E435-T437 PolarHBondContact O-N 3.35Å; E435-S914 WeakPolarHBondContact OE2-CA 3.44Å; E435-S914 WeakPolarHBondContact OE2-CB 3.48Å
436	V	89.9	Confident	86	Confident	15 Å²	15	21 Å²	21	9%	0.091	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	121.6	175.1	-179	0	0	0	0	107.3	Y419 H585 I589	Y419-V436 HydrophobicContact CD1-CG2 4.21Å; Y419-V436 HydrophobicContact CE1-CG2 4.08Å; V436-H585 PolarHBondContact N-NE2 3.05Å; V436-I589 HydrophobicContact CG2-CG1 4.19Å
437	T	89.6	Confident	86.3	Confident	17 Å²	17	21.4 Å²	21.4	10%	0.104	13%	0.126	C	C	.	.			trans	-128.9	145.8	-176.3	70.7	0	0	0	0	111.3	N398 Y400 G418 A420 E435	N398-T437 PolarHBondContact ND2-OG1 3.37Å; Y400-T437 WeakPolarHBondContact CE1-O 3.35Å; Y400-T437 WeakPolarHBondContact CE1-OG1 3.26Å; Y400-T437 PolarHBondContact OH-OG1 2.7Å; Y400-T437 VanDerWaalsContact OH-OG1 3.06Å; G418-T437 CarbonylContact C-O 3.56Å; G418-T437 WeakPolarHBondContact CA-O 3.25Å; G418-T437 PolarHBondContact N-O 2.96Å; G418-T437 PolarHBondContact O-N 2.88Å; G418-T437 VanDerWaalsContact O-O 3.07Å; A420-T437 HydrophobicContact CB-CG2 3.89Å; E435-T437 HydrophobicContact CB-CG2 4.35Å; E435-T437 HydrophobicContact CG-CG2 3.9Å; E435-T437 PolarHBondContact O-N 3.35Å
438	H	90	Very high	86.7	Confident	45 Å²	45	22.4 Å²	22.4	21%	0.208	13%	0.131	C	C	.	.			trans	-112.7	130.9	-179.1	-58.1	92.9	0	0	0	109.9	V415 W416 I578 V580	V415-H438 HydrophobicContact CG1-CB 3.89Å; W416-H438 WeakPolarHBondContact O-CA 3.34Å; H438-I578 HydrophobicContact CB-CB 4.23Å; H438-I578 HydrophobicContact CB-CG2 3.64Å; H438-V580 WeakPolarHBondContact CE1-CG2 3.26Å
439	K	87.7	Confident	87.1	Confident	38 Å²	38	21.2 Å²	21.2	17%	0.165	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	104.5	173.1	-177	64.8	176.6	173	0	109	Y400 W416 L441 T558	Y400-K439 HydrophobicContact CD1-CB 3.74Å; Y400-K439 HydrophobicContact CD2-CB 4.23Å; Y400-K439 HydrophobicContact CE1-CB 3.59Å; Y400-K439 HydrophobicContact CE2-CB 4.05Å; Y400-K439 HydrophobicContact CG-CB 4.08Å; W416-K439 HydrophobicContact CB-CB 4.38Å; W416-K439 PolarHBondContact N-O 2.91Å; W416-K439 PolarHBondContact O-N 2.86Å; K439-L441 HydrophobicContact CD-CD2 4.32Å; K439-L441 HydrophobicContact CG-CD2 3.82Å; K439-L441 HydrophobicContact CG-CG 4.19Å; K439-T558 VanDerWaalsContact NZ-CB 3.33Å; K439-T558 PolarHBondContact NZ-OG1 3.16Å; K439-T558 VanDerWaalsContact NZ-OG1 3.13Å
440	V	88.1	Confident	87.6	Confident	13 Å²	13	20.3 Å²	20.3	8%	0.079	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	127	170.9	-173.8	0	0	0	0	109.2	L413 Q414 G559 I560 L574	L413-V440 HydrophobicContact CD1-CG1 3.89Å; L413-V440 HydrophobicContact CD2-CG1 4.45Å; Q414-V440 WeakPolarHBondContact O-CA 3.2Å; V440-G559 PolarHBondContact O-N 3.2Å; V440-I560 HydrophobicContact CG1-CG1 4.49Å; V440-L574 HydrophobicContact CG1-CD1 4.48Å; V440-L574 HydrophobicContact CG1-CD2 4.41Å; V440-L574 HydrophobicContact CG2-CD1 4.03Å; V440-L574 HydrophobicContact CG2-CD2 4.42Å
441	L	85.5	Confident	88.2	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	151.8	176.7	-60.2	-176.1	0	0	0	109.7	L413 Q414 W416 K439 I475 T558	L413-L441 WeakPolarHBondContact CA-O 3.44Å; L413-L441 WeakPolarHBondContact CD2-O 3.11Å; Q414-L441 HydrophobicContact CB-CB 4.45Å; Q414-L441 PolarHBondContact N-O 2.89Å; Q414-L441 PolarHBondContact O-N 3.33Å; W416-L441 HydrophobicContact CD2-CD1 3.72Å; W416-L441 HydrophobicContact CE3-CD1 4.07Å; W416-L441 HydrophobicContact CG-CD1 4.34Å; W416-L441 HydrophobicContact CH2-CD1 3.88Å; W416-L441 HydrophobicContact CZ2-CD1 3.5Å; W416-L441 HydrophobicContact CZ3-CD1 4.14Å; K439-L441 HydrophobicContact CD-CD2 4.32Å; K439-L441 HydrophobicContact CG-CD2 3.82Å; K439-L441 HydrophobicContact CG-CG 4.19Å; L441-I475 HydrophobicContact CD1-CG2 4.4Å; L441-I475 HydrophobicContact CD2-CD1 4.47Å; L441-I475 HydrophobicContact CD2-CG2 3.82Å; L441-T558 HydrophobicContact CD2-CG2 3.67Å
442	Q	87.2	Confident	88.5	Confident	28 Å²	28	23 Å²	23	13%	0.131	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	143.5	170.1	-66.9	165.7	47.5	0	0	109.4	L413 R477 L557 G559 P561	L413-Q442 HydrophobicContact CD2-CB 4.31Å; L413-Q442 HydrophobicContact CD2-CG 3.55Å; Q442-R477 PolarHBondContact O-NH2 2.78Å; Q442-L557 HydrophobicContact CB-CB 4.3Å; Q442-L557 WeakPolarHBondContact CB-O 3.49Å; Q442-L557 HydrophobicContact CG-CB 4.36Å; Q442-L557 PolarHBondContact N-O 2.88Å; Q442-G559 PolarHBondContact NE2-O 3.43Å; Q442-P561 HydrophobicContact CG-CG 4.27Å
443	N	83.7	Confident	88.6	Confident	42 Å²	42	23 Å²	23	23%	0.225	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-25.5	176.6	-64.8	-21.3	0	0	0	111.6	R412 L413 Q414 F556	R412-N443 HydrophobicContact CB-CB 4.43Å; R412-N443 VanDerWaalsContact O-CB 3.31Å; R412-N443 WeakPolarHBondContact O-CB 3.21Å; R412-N443 PolarHBondContact O-N 2.89Å; L413-N443 PolarHBondContact O-ND2 3.16Å; Q414-N443 WeakPolarHBondContact CG-OD1 3.48Å; N443-F556 WeakPolarHBondContact O-CE1 3.35Å
444	D	85.3	Confident	88.7	Confident	29 Å²	29	25.3 Å²	25.3	16%	0.155	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	131.3	171.5	-64.5	45.6	0	0	0	110.6	R412 D448 F556	R412-D444 WeakPolarHBondContact CB-OD1 3.48Å; R412-D444 IonicContact CZ-OD1 3.42Å; R412-D444 IonicContact CZ-OD2 3.2Å; R412-D444 IonicContact NE-OD1 3.95Å; R412-D444 PolarHBondContact NE-OD1 3.39Å; R412-D444 VanDerWaalsContact NE-OD1 3.13Å; R412-D444 VanDerWaalsContact NH1-CG 3.28Å; R412-D444 IonicContact NH1-OD1 3.31Å; R412-D444 PolarHBondContact NH1-OD1 3.02Å; R412-D444 IonicContact NH1-OD2 3.2Å; R412-D444 PolarHBondContact NH1-OD2 3.33Å; R412-D444 IonicContact NH2-OD1 2.79Å; R412-D444 PolarHBondContact NH2-OD1 3.48Å; R412-D444 IonicContact NH2-OD2 3.12Å; D444-D448 HydrophobicContact CB-CB 4.1Å; D444-F556 WeakPolarHBondContact O-CD1 3.44Å
445	S	90.8	Very high	88.7	Confident	8 Å²	8	34.5 Å²	34.5	6%	0.056	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	165.9	166.3	68.5	0	0	0	0	110.5	L447 D448 L449 S555	S445-L447 PolarHBondContact O-N 3.46Å; S445-L447 PolarHBondContact OG-N 3.16Å; S445-D448 WeakPolarHBondContact CB-OD2 3.48Å; S445-D448 PolarHBondContact N-OD2 2.86Å; S445-D448 PolarHBondContact O-N 2.87Å; S445-D448 VanDerWaalsContact OG-CG 3.24Å; S445-D448 PolarHBondContact OG-N 3.21Å; S445-D448 PolarHBondContact OG-OD2 3.36Å; S445-L449 PolarHBondContact O-N 3.44Å; S445-S555 CarbonylContact C-O 3.6Å; S445-S555 WeakPolarHBondContact CA-O 3.15Å
446	V	92.4	Very high	88.6	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.8	-32.9	171	175.3	0	0	0	0	110.2	L449 M450 L469 V474 L528 P552 S555 L557	V446-L449 PolarHBondContact O-N 3.27Å; V446-M450 HydrophobicContact CG1-CG 4.27Å; V446-M450 HydrophobicContact CG1-SD 4.01Å; V446-M450 VanDerWaalsContact O-CG 3.25Å; V446-M450 WeakPolarHBondContact O-CG 3.32Å; V446-M450 PolarHBondContact O-N 3.15Å; V446-L469 HydrophobicContact CG1-CD1 3.73Å; V446-L469 HydrophobicContact CG1-CD2 3.79Å; V446-L469 HydrophobicContact CG1-CG 4.43Å; V446-V474 HydrophobicContact CG2-CG1 3.62Å; V446-L528 HydrophobicContact CB-CD1 4.04Å; V446-L528 HydrophobicContact CG1-CD1 3.91Å; V446-L528 HydrophobicContact CG1-CD2 3.95Å; V446-L528 HydrophobicContact CG2-CD1 3.98Å; V446-P552 HydrophobicContact CB-CB 4.1Å; V446-P552 HydrophobicContact CG1-CB 4.17Å; V446-P552 PolarHBondContact N-O 2.61Å; V446-S555 PolarHBondContact N-O 2.93Å; V446-L557 HydrophobicContact CG2-CD2 4.45Å; V446-L557 HydrophobicContact CG2-CG 4.24Å
447	L	93.3	Very high	88.2	Confident	15 Å²	15	40.2 Å²	40.2	8%	0.079	19%	0.191	C	C	.	.	H	α-helix	trans	-61.2	-44.9	173.8	-173.2	58.8	0	0	0	111.9	S445 L449 M450 N451 E522 Q525 P552 E553	S445-L447 PolarHBondContact O-N 3.46Å; S445-L447 PolarHBondContact OG-N 3.16Å; L447-L449 VanDerWaalsContact C-N 3.31Å; L447-L449 PolarHBondContact O-N 2.81Å; L447-M450 PolarHBondContact O-N 2.92Å; L447-M450 VanDerWaalsContact O-N 3.15Å; L447-N451 WeakPolarHBondContact O-CB 3.43Å; L447-N451 PolarHBondContact O-N 3.32Å; L447-N451 PolarHBondContact O-ND2 3.48Å; L447-N451 VanDerWaalsContact O-ND2 3.15Å; L447-N451 PolarHBondContact O-OD1 3.37Å; L447-E522 HydrophobicContact CD2-CB 3.92Å; L447-E522 HydrophobicContact CD2-CG 4.13Å; L447-Q525 HydrophobicContact CD1-CB 3.95Å; L447-P552 HydrophobicContact CB-CB 3.98Å; L447-P552 PolarHBondContact N-O 2.97Å; L447-E553 HydrophobicContact CB-CB 4.41Å; L447-E553 HydrophobicContact CD2-CB 3.92Å; L447-E553 HydrophobicContact CD2-CG 4.27Å
448	D	91	Very high	87.9	Confident	65 Å²	65	46.5 Å²	46.5	35%	0.348	22%	0.217	S	C	.	.	H	α-helix	trans	-58.9	-41.5	176.7	-65.2	-61.9	0	0	0	112.2	D444 S445 N451 M452	D444-D448 HydrophobicContact CB-CB 4.1Å; S445-D448 WeakPolarHBondContact CB-OD2 3.48Å; S445-D448 PolarHBondContact N-OD2 2.86Å; S445-D448 PolarHBondContact O-N 2.87Å; S445-D448 VanDerWaalsContact OG-CG 3.24Å; S445-D448 PolarHBondContact OG-N 3.21Å; S445-D448 PolarHBondContact OG-OD2 3.36Å; D448-N451 PolarHBondContact O-N 3.05Å; D448-M452 PolarHBondContact O-N 3.36Å
449	L	87.9	Confident	87.5	Confident	19 Å²	19	53 Å²	53	10%	0.099	25%	0.247	C	C	.	.	H	α-helix	trans	-65.8	-43.7	174.9	175.2	58	0	0	0	111.6	S445 V446 L447 N451 M452 L453 L469 L557	S445-L449 PolarHBondContact O-N 3.44Å; V446-L449 PolarHBondContact O-N 3.27Å; L447-L449 VanDerWaalsContact C-N 3.31Å; L447-L449 PolarHBondContact O-N 2.81Å; L449-N451 VanDerWaalsContact C-N 3.32Å; L449-N451 PolarHBondContact O-N 3.23Å; L449-M452 HydrophobicContact CD1-CE 3.38Å; L449-M452 HydrophobicContact CD1-SD 4.31Å; L449-M452 PolarHBondContact O-N 3.43Å; L449-L453 HydrophobicContact CD1-CD1 4.02Å; L449-L453 HydrophobicContact CD1-CD2 4.43Å; L449-L453 HydrophobicContact CD1-CG 3.96Å; L449-L453 HydrophobicContact CG-CD1 4.03Å; L449-L453 HydrophobicContact CG-CG 4.4Å; L449-L453 WeakPolarHBondContact O-CG 3.25Å; L449-L453 PolarHBondContact O-N 3.39Å; L449-L469 HydrophobicContact CD2-CD2 3.85Å; L449-L557 HydrophobicContact CD2-CD1 3.43Å; L449-L557 VanDerWaalsContact CD2-CD1 3.43Å
450	M	91.2	Very high	87.5	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.015	26%	0.263	C	S	.	.	H	α-helix	trans	-60.2	-43.1	175.6	-67.6	178	80.8	0	0	111	V446 L447 M452 L453 Y454 F461 C465 L469 W490 P526 P552	V446-M450 HydrophobicContact CG1-CG 4.27Å; V446-M450 HydrophobicContact CG1-SD 4.01Å; V446-M450 VanDerWaalsContact O-CG 3.25Å; V446-M450 WeakPolarHBondContact O-CG 3.32Å; V446-M450 PolarHBondContact O-N 3.15Å; L447-M450 PolarHBondContact O-N 2.92Å; L447-M450 VanDerWaalsContact O-N 3.15Å; M450-M452 VanDerWaalsContact C-N 3.3Å; M450-M452 PolarHBondContact O-N 3.37Å; M450-L453 PolarHBondContact O-N 3.35Å; M450-Y454 WeakPolarHBondContact O-CB 3.42Å; M450-Y454 PolarHBondContact O-N 3.15Å; M450-F461 HydrophobicContact CB-CE2 4.34Å; M450-F461 HydrophobicContact CB-CZ 4.26Å; M450-F461 HydrophobicContact CE-CZ 4.16Å; M450-F461 WeakPolarHBondContact O-CE2 3.32Å; M450-C465 HydrophobicContact CE-CB 4.45Å; M450-L469 HydrophobicContact CG-CD1 3.87Å; M450-L469 HydrophobicContact SD-CD1 4.09Å; M450-W490 HydrophobicContact CE-CH2 3.43Å; M450-W490 VanDerWaalsContact CE-CH2 3.43Å; M450-W490 HydrophobicContact CE-CZ2 4.46Å; M450-W490 HydrophobicContact CE-CZ3 3.48Å; M450-W490 VanDerWaalsContact CE-CZ3 3.48Å; M450-P526 HydrophobicContact CE-CG 3.55Å; M450-P526 HydrophobicContact SD-CG 4.37Å; M450-P552 HydrophobicContact SD-CB 4.39Å; M450-P552 HydrophobicContact SD-CG 4.39Å
451	N	90.6	Very high	87.5	Confident	30 Å²	30	56.2 Å²	56.2	16%	0.16	27%	0.265	C	S	.	.	H	α-helix	trans	-61	-38	175.5	-62	-22.6	0	0	0	112.3	L146 L447 D448 L449 R455	L146-N451 WeakPolarHBondContact CD1-ND2 3.17Å; L146-N451 VanDerWaalsContact CD1-OD1 3.25Å; L146-N451 WeakPolarHBondContact CD1-OD1 3.32Å; L146-N451 VanDerWaalsContact CD2-OD1 3.24Å; L146-N451 WeakPolarHBondContact CD2-OD1 3.42Å; L447-N451 WeakPolarHBondContact O-CB 3.43Å; L447-N451 PolarHBondContact O-N 3.32Å; L447-N451 PolarHBondContact O-ND2 3.48Å; L447-N451 VanDerWaalsContact O-ND2 3.15Å; L447-N451 PolarHBondContact O-OD1 3.37Å; D448-N451 PolarHBondContact O-N 3.05Å; L449-N451 VanDerWaalsContact C-N 3.32Å; L449-N451 PolarHBondContact O-N 3.23Å; N451-R455 VanDerWaalsContact O-CG 3.28Å; N451-R455 WeakPolarHBondContact O-CG 3.48Å; N451-R455 PolarHBondContact O-N 3.43Å
452	M	87.1	Confident	87.6	Confident	66 Å²	66	60.3 Å²	60.3	33%	0.325	28%	0.284	S	S	.	.	H	α-helix	trans	-70.3	-39.5	175.3	179.1	-103.3	-74.5	0	0	112.6	D448 L449 M450 R455 Q456	D448-M452 PolarHBondContact O-N 3.36Å; L449-M452 HydrophobicContact CD1-CE 3.38Å; L449-M452 HydrophobicContact CD1-SD 4.31Å; L449-M452 PolarHBondContact O-N 3.43Å; M450-M452 VanDerWaalsContact C-N 3.3Å; M450-M452 PolarHBondContact O-N 3.37Å; M452-R455 PolarHBondContact O-N 2.71Å; M452-Q456 WeakPolarHBondContact O-CG 3.25Å; M452-Q456 PolarHBondContact O-N 2.89Å; M452-Q456 PolarHBondContact SD-NE2 3.46Å
453	L	87.4	Confident	87.6	Confident	4 Å²	4	64.5 Å²	64.5	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-69.2	-40.7	177.1	-67.4	173.6	0	0	0	111.9	L449 M450 R455 Q456 S457 V464 E468	L449-L453 HydrophobicContact CD1-CD1 4.02Å; L449-L453 HydrophobicContact CD1-CD2 4.43Å; L449-L453 HydrophobicContact CD1-CG 3.96Å; L449-L453 HydrophobicContact CG-CD1 4.03Å; L449-L453 HydrophobicContact CG-CG 4.4Å; L449-L453 WeakPolarHBondContact O-CG 3.25Å; L449-L453 PolarHBondContact O-N 3.39Å; M450-L453 PolarHBondContact O-N 3.35Å; L453-R455 VanDerWaalsContact C-N 3.31Å; L453-R455 PolarHBondContact O-N 3.37Å; L453-Q456 PolarHBondContact O-N 2.61Å; L453-S457 PolarHBondContact O-N 3.18Å; L453-V464 HydrophobicContact CB-CG1 4.33Å; L453-V464 HydrophobicContact CD1-CG1 4.37Å; L453-V464 HydrophobicContact CD2-CG1 3.91Å; L453-V464 HydrophobicContact CG-CG1 4.42Å; L453-E468 HydrophobicContact CD1-CB 4.34Å; L453-E468 HydrophobicContact CD1-CG 4.43Å
454	Y	87.1	Confident	87.7	Confident	52 Å²	52	64.6 Å²	64.6	20%	0.204	31%	0.309	C	S	.	.	H	α-helix	trans	-58.6	-41.3	174.6	-176.4	-97.1	0	0	0	112.4	M149 M450 Q456 K458 F461	M149-Y454 HydrophobicContact CE-CD1 4.25Å; M149-Y454 HydrophobicContact CE-CE1 3.6Å; M149-Y454 HydrophobicContact SD-CD1 3.87Å; M149-Y454 HydrophobicContact SD-CE1 3.27Å; M149-Y454 WeakPolarHBondContact SD-CE1 3.29Å; M149-Y454 HydrophobicContact SD-CE2 4.18Å; M450-Y454 WeakPolarHBondContact O-CB 3.42Å; M450-Y454 PolarHBondContact O-N 3.15Å; Y454-Q456 PolarHBondContact O-N 2.61Å; Y454-K458 HydrophobicContact CE1-CG 4.36Å; Y454-K458 HydrophobicContact CE2-CG 3.89Å; Y454-K458 PolarHBondContact O-N 3.15Å; Y454-K458 VanDerWaalsContact OH-CE 3.28Å; Y454-K458 WeakPolarHBondContact OH-CE 3.37Å; Y454-F461 HydrophobicContact CD2-CB 4.1Å; Y454-F461 AromaticContact CD2-CD1 3.84Å; Y454-F461 HydrophobicContact CD2-CD1 3.84Å; Y454-F461 AromaticContact CD2-CD2 3.9Å; Y454-F461 HydrophobicContact CD2-CD2 3.9Å; Y454-F461 HydrophobicContact CD2-CE1 4.19Å; Y454-F461 HydrophobicContact CD2-CE2 4.26Å; Y454-F461 AromaticContact CD2-CG 3.67Å; Y454-F461 HydrophobicContact CD2-CG 3.67Å; Y454-F461 HydrophobicContact CD2-CZ 4.39Å; Y454-F461 HydrophobicContact CE2-CD1 4.49Å; Y454-F461 HydrophobicContact CG-CD2 4.31Å; Y454-F461 HydrophobicContact CG-CE2 4.47Å
455	R	88.3	Confident	87.9	Confident	205 Å²	205	63.2 Å²	63.2	77%	0.774	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.2	174.4	-70.3	171.3	-174.1	-175.1	2.3	113.7	N451 M452 L453	N451-R455 VanDerWaalsContact O-CG 3.28Å; N451-R455 WeakPolarHBondContact O-CG 3.48Å; N451-R455 PolarHBondContact O-N 3.43Å; M452-R455 PolarHBondContact O-N 2.71Å; L453-R455 VanDerWaalsContact C-N 3.31Å; L453-R455 PolarHBondContact O-N 3.37Å
456	Q	85.7	Confident	87.8	Confident	127 Å²	127	65.2 Å²	65.2	59%	0.593	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-32.2	179.8	-73.2	172.9	10.8	0	0	113.2	M452 L453 Y454	M452-Q456 WeakPolarHBondContact O-CG 3.25Å; M452-Q456 PolarHBondContact O-N 2.89Å; M452-Q456 PolarHBondContact SD-NE2 3.46Å; L453-Q456 PolarHBondContact O-N 2.61Å; Y454-Q456 PolarHBondContact O-N 2.61Å
457	S	82.9	Confident	87.5	Confident	38 Å²	38	73.7 Å²	73.7	27%	0.266	35%	0.35	S	S	.	.			trans	-150.2	92.1	178.1	-166.9	0	0	0	0	109.9	L453 F461	L453-S457 PolarHBondContact O-N 3.18Å; S457-F461 WeakPolarHBondContact O-CA 3.34Å; S457-F461 WeakPolarHBondContact O-CB 3.35Å; S457-F461 PolarHBondContact O-N 2.97Å
458	K	83.6	Confident	87.1	Confident	149 Å²	149	77.7 Å²	77.7	65%	0.648	37%	0.369	S	S	*	.	S	Bend	trans	-69.3	-41.7	-177.9	-169.7	-173.3	179	-168.3	0	112.3	Y454 F461	Y454-K458 HydrophobicContact CE1-CG 4.36Å; Y454-K458 HydrophobicContact CE2-CG 3.89Å; Y454-K458 PolarHBondContact O-N 3.15Å; Y454-K458 VanDerWaalsContact OH-CE 3.28Å; Y454-K458 WeakPolarHBondContact OH-CE 3.37Å; K458-F461 WeakPolarHBondContact O-CB 3.45Å
459	E	81.6	Confident	87	Confident	181 Å²	181	74.6 Å²	74.6	85%	0.846	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-48.2	-173.6	-66.3	165.9	-179.2	0	0	111.9	F461	E459-F461 VanDerWaalsContact C-N 3.35Å; E459-F461 PolarHBondContact O-N 3.5Å
460	N	86.6	Confident	87	Confident	94 Å²	94	76.2 Å²	76.2	50%	0.503	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	27.3	-178.7	-59.8	-41.7	0	0	0	112.4	Q462 D463 V464	N460-Q462 PolarHBondContact O-N 2.75Å; N460-D463 PolarHBondContact O-N 3.4Å; N460-V464 HydrophobicContact CB-CG2 4.42Å; N460-V464 WeakPolarHBondContact O-CG2 3.46Å; N460-V464 PolarHBondContact O-N 3.27Å
461	F	87.6	Confident	86.7	Confident	25 Å²	25	77.5 Å²	77.5	11%	0.11	38%	0.377	C	S	.	.	H	α-helix	trans	-55.2	-48.7	-170.9	166.7	-121.3	0	0	0	113.4	M450 Y454 S457 K458 E459 D463 V464 C465 W490	M450-F461 HydrophobicContact CB-CE2 4.34Å; M450-F461 HydrophobicContact CB-CZ 4.26Å; M450-F461 HydrophobicContact CE-CZ 4.16Å; M450-F461 WeakPolarHBondContact O-CE2 3.32Å; Y454-F461 HydrophobicContact CD2-CB 4.1Å; Y454-F461 AromaticContact CD2-CD1 3.84Å; Y454-F461 HydrophobicContact CD2-CD1 3.84Å; Y454-F461 AromaticContact CD2-CD2 3.9Å; Y454-F461 HydrophobicContact CD2-CD2 3.9Å; Y454-F461 HydrophobicContact CD2-CE1 4.19Å; Y454-F461 HydrophobicContact CD2-CE2 4.26Å; Y454-F461 AromaticContact CD2-CG 3.67Å; Y454-F461 HydrophobicContact CD2-CG 3.67Å; Y454-F461 HydrophobicContact CD2-CZ 4.39Å; Y454-F461 HydrophobicContact CE2-CD1 4.49Å; Y454-F461 HydrophobicContact CG-CD2 4.31Å; Y454-F461 HydrophobicContact CG-CE2 4.47Å; S457-F461 WeakPolarHBondContact O-CA 3.34Å; S457-F461 WeakPolarHBondContact O-CB 3.35Å; S457-F461 PolarHBondContact O-N 2.97Å; K458-F461 WeakPolarHBondContact O-CB 3.45Å; E459-F461 VanDerWaalsContact C-N 3.35Å; E459-F461 PolarHBondContact O-N 3.5Å; F461-D463 PolarHBondContact O-N 2.69Å; F461-V464 PolarHBondContact O-N 3.27Å; F461-C465 WeakPolarHBondContact CE2-SG 3.37Å; F461-C465 WeakPolarHBondContact O-CB 3.47Å; F461-C465 PolarHBondContact O-N 3.01Å; F461-W490 HydrophobicContact CD1-CZ3 4.39Å; F461-W490 HydrophobicContact CE1-CH2 4.03Å; F461-W490 AromaticContact CE1-CZ3 3.67Å; F461-W490 HydrophobicContact CE1-CZ3 3.67Å; F461-W490 HydrophobicContact CZ-CH2 4.24Å; F461-W490 HydrophobicContact CZ-CZ3 4.13Å
462	Q	88.5	Confident	86.5	Confident	87 Å²	87	77.3 Å²	77.3	41%	0.407	38%	0.379	S	S	.	.	H	α-helix	trans	-64.6	-41.4	-176.5	-65.2	-172.5	5	0	0	111.9	N460 T466 W490	N460-Q462 PolarHBondContact O-N 2.75Å; Q462-T466 VanDerWaalsContact O-CB 3.26Å; Q462-T466 WeakPolarHBondContact O-CB 3.48Å; Q462-T466 PolarHBondContact O-N 2.82Å; Q462-T466 PolarHBondContact O-OG1 3.07Å; Q462-W490 HydrophobicContact CB-CD2 4.48Å; Q462-W490 HydrophobicContact CB-CH2 4.24Å; Q462-W490 HydrophobicContact CB-CZ2 3.8Å; Q462-W490 HydrophobicContact CG-CD2 3.96Å; Q462-W490 HydrophobicContact CG-CE3 4.06Å; Q462-W490 HydrophobicContact CG-CH2 4.05Å; Q462-W490 HydrophobicContact CG-CZ2 3.96Å; Q462-W490 HydrophobicContact CG-CZ3 4.1Å
463	D	86.4	Confident	86.5	Confident	115 Å²	115	77.3 Å²	77.3	62%	0.615	38%	0.38	S	S	*	.	H	α-helix	trans	-65.8	-44.8	176.9	-70.4	-34.1	0	0	0	111.9	N460 F461 T466 K467	N460-D463 PolarHBondContact O-N 3.4Å; F461-D463 PolarHBondContact O-N 2.69Å; D463-T466 PolarHBondContact O-N 3.45Å; D463-K467 WeakPolarHBondContact O-CB 3.34Å; D463-K467 PolarHBondContact O-N 3.4Å
464	V	87.1	Confident	86.7	Confident	44 Å²	44	77.1 Å²	77.1	27%	0.267	38%	0.379	S	S	.	.	H	α-helix	trans	-62.9	-44	178.5	171.7	0	0	0	0	110.9	L453 N460 F461 E468	L453-V464 HydrophobicContact CB-CG1 4.33Å; L453-V464 HydrophobicContact CD1-CG1 4.37Å; L453-V464 HydrophobicContact CD2-CG1 3.91Å; L453-V464 HydrophobicContact CG-CG1 4.42Å; N460-V464 HydrophobicContact CB-CG2 4.42Å; N460-V464 WeakPolarHBondContact O-CG2 3.46Å; N460-V464 PolarHBondContact O-N 3.27Å; F461-V464 PolarHBondContact O-N 3.27Å; V464-E468 WeakPolarHBondContact O-CG 3.23Å; V464-E468 PolarHBondContact O-N 2.81Å; V464-E468 VanDerWaalsContact O-N 3.13Å
465	C	88.6	Confident	86.8	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-64.4	-46.4	173.9	-84.2	0	0	0	0	112.6	M450 F461 K467 E468 L469 I488 W490	M450-C465 HydrophobicContact CE-CB 4.45Å; F461-C465 WeakPolarHBondContact CE2-SG 3.37Å; F461-C465 WeakPolarHBondContact O-CB 3.47Å; F461-C465 PolarHBondContact O-N 3.01Å; C465-K467 VanDerWaalsContact C-N 3.28Å; C465-K467 PolarHBondContact O-N 3.41Å; C465-E468 PolarHBondContact O-N 3.26Å; C465-L469 HydrophobicContact CB-CD1 4.32Å; C465-L469 WeakPolarHBondContact O-CB 3.33Å; C465-L469 WeakPolarHBondContact O-CG 3.39Å; C465-L469 PolarHBondContact O-N 3.34Å; C465-I488 HydrophobicContact CB-CD1 4.41Å; C465-W490 HydrophobicContact CB-CH2 3.77Å; C465-W490 HydrophobicContact CB-CZ2 4.05Å
466	T	88.8	Confident	86.9	Confident	50 Å²	50	64.9 Å²	64.9	31%	0.307	33%	0.332	S	S	.	.	H	α-helix	trans	-59.5	-42.2	179.2	-59	0	0	0	0	110.8	Q462 D463 V470	Q462-T466 VanDerWaalsContact O-CB 3.26Å; Q462-T466 WeakPolarHBondContact O-CB 3.48Å; Q462-T466 PolarHBondContact O-N 2.82Å; Q462-T466 PolarHBondContact O-OG1 3.07Å; D463-T466 PolarHBondContact O-N 3.45Å; T466-V470 HydrophobicContact CG2-CG2 3.78Å; T466-V470 VanDerWaalsContact O-CB 3.29Å; T466-V470 WeakPolarHBondContact O-CB 3.43Å; T466-V470 WeakPolarHBondContact O-CG2 3.34Å; T466-V470 PolarHBondContact O-N 3.01Å
467	K	85.8	Confident	86.7	Confident	178 Å²	178	62.2 Å²	62.2	77%	0.774	32%	0.317	S	S	*	.	H	α-helix	trans	-67.8	-36	179.3	-176.4	177.6	180	178.6	0	114.6	D463 C465	D463-K467 WeakPolarHBondContact O-CB 3.34Å; D463-K467 PolarHBondContact O-N 3.4Å; C465-K467 VanDerWaalsContact C-N 3.28Å; C465-K467 PolarHBondContact O-N 3.41Å
468	E	84.7	Confident	86.9	Confident	99 Å²	99	62.6 Å²	62.6	46%	0.463	31%	0.313	S	S	.	.	H	α-helix	trans	-85.9	-27.6	178.5	-68.8	-82.1	133.7	0	0	112.8	L453 V464 C465	L453-E468 HydrophobicContact CD1-CB 4.34Å; L453-E468 HydrophobicContact CD1-CG 4.43Å; V464-E468 WeakPolarHBondContact O-CG 3.23Å; V464-E468 PolarHBondContact O-N 2.81Å; V464-E468 VanDerWaalsContact O-N 3.13Å; C465-E468 PolarHBondContact O-N 3.26Å
469	L	89.1	Confident	86.9	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-99.1	-37.9	-173.6	-66	173	0	0	0	114.5	V446 L449 M450 C465 G471 A472 I485 I488 L557	V446-L469 HydrophobicContact CG1-CD1 3.73Å; V446-L469 HydrophobicContact CG1-CD2 3.79Å; V446-L469 HydrophobicContact CG1-CG 4.43Å; L449-L469 HydrophobicContact CD2-CD2 3.85Å; M450-L469 HydrophobicContact CG-CD1 3.87Å; M450-L469 HydrophobicContact SD-CD1 4.09Å; C465-L469 HydrophobicContact CB-CD1 4.32Å; C465-L469 WeakPolarHBondContact O-CB 3.33Å; C465-L469 WeakPolarHBondContact O-CG 3.39Å; C465-L469 PolarHBondContact O-N 3.34Å; L469-G471 PolarHBondContact O-N 2.88Å; L469-A472 WeakPolarHBondContact O-CB 3.46Å; L469-A472 PolarHBondContact O-N 2.96Å; L469-I485 HydrophobicContact CB-CD1 3.99Å; L469-I485 HydrophobicContact CD2-CD1 4.24Å; L469-I485 WeakPolarHBondContact O-CB 3.37Å; L469-I488 HydrophobicContact CB-CD1 4.2Å; L469-I488 HydrophobicContact CD1-CD1 3.8Å; L469-L557 HydrophobicContact CD2-CD1 4.45Å; L469-L557 HydrophobicContact CD2-CD2 4.44Å
470	V	89	Confident	86.9	Confident	54 Å²	54	50.5 Å²	50.5	33%	0.327	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	130.7	-176.3	178.1	0	0	0	0	110.5	T466 A472 I485	T466-V470 HydrophobicContact CG2-CG2 3.78Å; T466-V470 VanDerWaalsContact O-CB 3.29Å; T466-V470 WeakPolarHBondContact O-CB 3.43Å; T466-V470 WeakPolarHBondContact O-CG2 3.34Å; T466-V470 PolarHBondContact O-N 3.01Å; V470-A472 VanDerWaalsContact C-N 3.33Å; V470-I485 HydrophobicContact CG2-CG2 4.31Å
471	G	83.9	Confident	86.9	Confident	29 Å²	29	51.1 Å²	51.1	30%	0.299	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	-14.8	-170.4	0	0	0	0	0	114.6	L469 I485	L469-G471 PolarHBondContact O-N 2.88Å; G471-I485 PolarHBondContact N-O 3.12Å
472	A	86.3	Confident	86.8	Confident	26 Å²	26	51.8 Å²	51.8	22%	0.215	26%	0.262	C	S	.	.			trans	-69.4	156.2	176.9	0	0	0	0	0	112.1	L469 V470 R484 I485 L557	L469-A472 WeakPolarHBondContact O-CB 3.46Å; L469-A472 PolarHBondContact O-N 2.96Å; V470-A472 VanDerWaalsContact C-N 3.33Å; A472-R484 WeakPolarHBondContact O-CA 3.48Å; A472-I485 PolarHBondContact O-N 3.26Å; A472-L557 HydrophobicContact CB-CD2 3.81Å
473	I	88.3	Confident	86.8	Confident	66 Å²	66	49 Å²	49	34%	0.338	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	113.3	178.8	-58.7	176.9	0	0	0	109.7	Y483 T558	I473-Y483 CarbonylContact C-O 3.58Å; I473-Y483 WeakPolarHBondContact CA-O 3.49Å; I473-T558 WeakPolarHBondContact O-CB 3.25Å; I473-T558 WeakPolarHBondContact O-CG2 3.34Å; I473-T558 PolarHBondContact O-N 3.25Å; I473-T558 PolarHBondContact O-OG1 3.07Å
474	V	91.1	Very high	87	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	157	173.6	-67.2	0	0	0	0	111.6	V446 T482 Y483 I485 L550 F556 L557	V446-V474 HydrophobicContact CG2-CG1 3.62Å; V474-T482 CarbonylContact O-C 3.53Å; V474-T482 WeakPolarHBondContact O-CA 3.25Å; V474-Y483 PolarHBondContact N-O 2.85Å; V474-Y483 PolarHBondContact O-N 2.95Å; V474-I485 HydrophobicContact CG1-CD1 3.84Å; V474-I485 HydrophobicContact CG1-CG1 4.16Å; V474-I485 HydrophobicContact CG2-CG1 4.47Å; V474-L550 HydrophobicContact CG2-CD1 4.3Å; V474-F556 CarbonylContact C-O 3.51Å; V474-F556 WeakPolarHBondContact CA-O 3.31Å; V474-L557 HydrophobicContact CG1-CD2 3.99Å
475	I	89.4	Confident	87.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	143.8	162.9	-165.7	169.9	0	0	0	109.5	V395 L441 R481 T482 F556 T558	V395-I475 HydrophobicContact CG1-CD1 3.91Å; V395-I475 HydrophobicContact CG2-CD1 4.22Å; L441-I475 HydrophobicContact CD1-CG2 4.4Å; L441-I475 HydrophobicContact CD2-CD1 4.47Å; L441-I475 HydrophobicContact CD2-CG2 3.82Å; I475-R481 WeakPolarHBondContact CA-O 3.22Å; I475-T482 HydrophobicContact CB-CG2 4.11Å; I475-T482 HydrophobicContact CD1-CG2 4.32Å; I475-T482 HydrophobicContact CG1-CG2 4.04Å; I475-F556 HydrophobicContact CG2-CB 4.08Å; I475-F556 PolarHBondContact N-O 3.02Å; I475-F556 PolarHBondContact O-N 2.92Å; I475-T558 HydrophobicContact CB-CG2 3.61Å; I475-T558 HydrophobicContact CG2-CG2 3.73Å
476	T	90	Very high	87.2	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	103.9	174	39.8	0	0	0	0	108.8	Y478 N479 N480 R481 Y483 L550	T476-Y478 HydrophobicContact CG2-CE1 3.61Å; T476-Y478 WeakPolarHBondContact CG2-OH 3.38Å; T476-Y478 PolarHBondContact O-N 3.18Å; T476-Y478 VanDerWaalsContact O-N 3.16Å; T476-N479 PolarHBondContact O-N 2.81Å; T476-N479 VanDerWaalsContact O-N 3.15Å; T476-N479 PolarHBondContact O-OD1 3.39Å; T476-N479 PolarHBondContact OG1-OD1 3.04Å; T476-N480 WeakPolarHBondContact O-CA 3.46Å; T476-N480 PolarHBondContact O-N 3.24Å; T476-R481 PolarHBondContact N-O 2.97Å; T476-R481 PolarHBondContact OG1-O 3.12Å; T476-Y483 HydrophobicContact CG2-CD2 4.28Å; T476-Y483 HydrophobicContact CG2-CE2 4.12Å; T476-Y483 WeakPolarHBondContact OG1-CE2 3.39Å; T476-L550 HydrophobicContact CG2-CD2 4.44Å
477	R	82.4	Confident	87.3	Confident	71 Å²	71	48.7 Å²	48.7	27%	0.268	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-33.8	-167.7	-67.4	-179.7	-173.4	-125.4	-3.6	112.6	Q442 N479 F556	Q442-R477 PolarHBondContact O-NH2 2.78Å; R477-N479 VanDerWaalsContact C-N 3.25Å; R477-N479 PolarHBondContact O-N 2.97Å; R477-F556 HydrophobicContact CB-CE2 4.47Å; R477-F556 HydrophobicContact CG-CD2 3.62Å; R477-F556 HydrophobicContact CG-CE2 3.84Å; R477-F556 HydrophobicContact CG-CG 4.29Å; R477-F556 VanDerWaalsContact NE-CG 3.33Å
478	Y	85.4	Confident	87.7	Confident	47 Å²	47	40.6 Å²	40.6	18%	0.184	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-15	-179.1	62	-94.3	0	0	0	115.5	T476 Y512 Y516 I518 L554	T476-Y478 HydrophobicContact CG2-CE1 3.61Å; T476-Y478 WeakPolarHBondContact CG2-OH 3.38Å; T476-Y478 PolarHBondContact O-N 3.18Å; T476-Y478 VanDerWaalsContact O-N 3.16Å; Y478-Y512 HydrophobicContact CD2-CE1 4.46Å; Y478-Y512 AromaticContact CE1-CE1 3.94Å; Y478-Y512 HydrophobicContact CE1-CE1 3.94Å; Y478-Y512 HydrophobicContact CE2-CD1 4.5Å; Y478-Y512 AromaticContact CE2-CE1 3.71Å; Y478-Y512 HydrophobicContact CE2-CE1 3.71Å; Y478-Y512 AromaticContact CZ-CE1 3.45Å; Y478-Y512 VanDerWaalsContact CZ-CE1 3.45Å; Y478-Y512 WeakPolarHBondContact OH-CE1 3.18Å; Y478-Y512 PolarHBondContact OH-OH 3.41Å; Y478-Y516 AromaticContact CD2-CD1 3.75Å; Y478-Y516 HydrophobicContact CD2-CD1 3.75Å; Y478-Y516 AromaticContact CD2-CD2 3.84Å; Y478-Y516 HydrophobicContact CD2-CD2 3.84Å; Y478-Y516 AromaticContact CD2-CE1 3.67Å; Y478-Y516 HydrophobicContact CD2-CE1 3.67Å; Y478-Y516 AromaticContact CD2-CE2 3.73Å; Y478-Y516 HydrophobicContact CD2-CE2 3.73Å; Y478-Y516 AromaticContact CD2-CG 3.84Å; Y478-Y516 HydrophobicContact CD2-CG 3.84Å; Y478-Y516 AromaticContact CD2-CZ 3.65Å; Y478-Y516 HydrophobicContact CE2-CD2 4.1Å; Y478-Y516 HydrophobicContact CE2-CE1 4.27Å; Y478-Y516 AromaticContact CE2-CE2 3.66Å; Y478-Y516 HydrophobicContact CE2-CE2 3.66Å; Y478-Y516 AromaticContact CE2-CZ 3.76Å; Y478-Y516 HydrophobicContact CG-CD1 4.48Å; Y478-Y516 HydrophobicContact CG-CG 4.46Å; Y478-I518 HydrophobicContact CD1-CD1 4.23Å; Y478-I518 HydrophobicContact CG-CD1 4Å; Y478-L554 HydrophobicContact CD1-CB 4.22Å; Y478-L554 HydrophobicContact CE1-CB 3.87Å; Y478-L554 HydrophobicContact CE1-CD1 4.47Å
479	N	84.2	Confident	88.1	Confident	40 Å²	40	37.7 Å²	37.7	21%	0.214	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.4	0.7	176	67.6	26.9	0	0	0	114	T476 R477 R481 Y516	T476-N479 PolarHBondContact O-N 2.81Å; T476-N479 VanDerWaalsContact O-N 3.15Å; T476-N479 PolarHBondContact O-OD1 3.39Å; T476-N479 PolarHBondContact OG1-OD1 3.04Å; R477-N479 VanDerWaalsContact C-N 3.25Å; R477-N479 PolarHBondContact O-N 2.97Å; N479-R481 HydrophobicContact CB-CG 4.42Å; N479-R481 PolarHBondContact O-N 3.31Å; N479-R481 WeakPolarHBondContact OD1-CB 3.42Å; N479-R481 VanDerWaalsContact OD1-CG 3.3Å; N479-R481 WeakPolarHBondContact OD1-CG 3.35Å; N479-R481 PolarHBondContact OD1-N 2.87Å; N479-Y516 HydrophobicContact CB-CE1 4.44Å
480	N	82.9	Confident	88.2	Confident	35 Å²	35	40.1 Å²	40.1	19%	0.187	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	19.6	-176.8	-67	-68.6	0	0	0	115.7	V395 W416 T476	V395-N480 HydrophobicContact CG2-CB 4.39Å; W416-N480 WeakPolarHBondContact CH2-OD1 3.4Å; T476-N480 WeakPolarHBondContact O-CA 3.46Å; T476-N480 PolarHBondContact O-N 3.24Å
481	R	84.6	Confident	88.3	Confident	108 Å²	108	45 Å²	45	41%	0.408	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	143.3	175.5	-62	179.2	175.2	-150.7	-7	110.8	P26 I475 T476 N479 Y483	P26-R481 PolarHBondContact O-NH2 3.44Å; I475-R481 WeakPolarHBondContact CA-O 3.22Å; T476-R481 PolarHBondContact N-O 2.97Å; T476-R481 PolarHBondContact OG1-O 3.12Å; N479-R481 HydrophobicContact CB-CG 4.42Å; N479-R481 PolarHBondContact O-N 3.31Å; N479-R481 WeakPolarHBondContact OD1-CB 3.42Å; N479-R481 VanDerWaalsContact OD1-CG 3.3Å; N479-R481 WeakPolarHBondContact OD1-CG 3.35Å; N479-R481 PolarHBondContact OD1-N 2.87Å; R481-Y483 HydrophobicContact CB-CE1 4.38Å; R481-Y483 HydrophobicContact CB-CE2 3.85Å; R481-Y483 WeakPolarHBondContact CD-OH 3.28Å
482	T	86.4	Confident	88.7	Confident	38 Å²	38	46.9 Å²	46.9	23%	0.233	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	134.1	174.9	55.1	0	0	0	0	111	V395 V474 I475	V395-T482 HydrophobicContact CG1-CG2 3.75Å; V474-T482 CarbonylContact O-C 3.53Å; V474-T482 WeakPolarHBondContact O-CA 3.25Å; I475-T482 HydrophobicContact CB-CG2 4.11Å; I475-T482 HydrophobicContact CD1-CG2 4.32Å; I475-T482 HydrophobicContact CG1-CG2 4.04Å
483	Y	89.2	Confident	89	Confident	30 Å²	30	46.6 Å²	46.6	12%	0.118	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	153.6	-179.8	-54.6	-74.7	0	0	0	110.1	I473 V474 T476 R481 H530 I548 L550	I473-Y483 CarbonylContact C-O 3.58Å; I473-Y483 WeakPolarHBondContact CA-O 3.49Å; V474-Y483 PolarHBondContact N-O 2.85Å; V474-Y483 PolarHBondContact O-N 2.95Å; T476-Y483 HydrophobicContact CG2-CD2 4.28Å; T476-Y483 HydrophobicContact CG2-CE2 4.12Å; T476-Y483 WeakPolarHBondContact OG1-CE2 3.39Å; R481-Y483 HydrophobicContact CB-CE1 4.38Å; R481-Y483 HydrophobicContact CB-CE2 3.85Å; R481-Y483 WeakPolarHBondContact CD-OH 3.28Å; Y483-H530 AromaticContact CD1-CD2 3.65Å; Y483-I548 HydrophobicContact CE1-CD1 4.42Å; Y483-I548 HydrophobicContact CE1-CG2 4.41Å; Y483-L550 HydrophobicContact CD2-CD1 3.36Å; Y483-L550 HydrophobicContact CD2-CD2 3.89Å; Y483-L550 HydrophobicContact CD2-CG 4.28Å; Y483-L550 HydrophobicContact CE2-CD1 4.08Å; Y483-L550 HydrophobicContact CE2-CD2 3.69Å; Y483-L550 HydrophobicContact CG-CD1 3.66Å
484	R	89.4	Confident	89.3	Confident	125 Å²	125	43.5 Å²	43.5	47%	0.472	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	132.8	169.2	171.4	174.7	149.2	125.5	3	107.9	A472 D486 H530	A472-R484 WeakPolarHBondContact O-CA 3.48Å; R484-D486 WeakPolarHBondContact CD-OD1 3.24Å; R484-D486 IonicContact CZ-OD1 2.65Å; R484-D486 IonicContact NE-OD1 2.7Å; R484-D486 PolarHBondContact NE-OD1 2.93Å; R484-D486 IonicContact NH2-OD1 3.58Å; R484-D486 PolarHBondContact O-N 3.02Å; R484-H530 WeakPolarHBondContact O-CA 3.32Å; R484-H530 VanDerWaalsContact O-CB 3.22Å; R484-H530 WeakPolarHBondContact O-CB 3.48Å; R484-H530 VanDerWaalsContact O-CG 3.3Å; R484-H530 PolarHBondContact O-ND1 3.35Å
485	I	91.1	Very high	89.3	Confident	2 Å²	2	47 Å²	47	1%	0.01	22%	0.221	C	C	.	.			trans	-73.4	118.6	168.8	-56.2	175.3	0	0	0	106.8	L469 V470 G471 A472 V474 S487 I488 L528	L469-I485 HydrophobicContact CB-CD1 3.99Å; L469-I485 HydrophobicContact CD2-CD1 4.24Å; L469-I485 WeakPolarHBondContact O-CB 3.37Å; V470-I485 HydrophobicContact CG2-CG2 4.31Å; G471-I485 PolarHBondContact N-O 3.12Å; A472-I485 PolarHBondContact O-N 3.26Å; V474-I485 HydrophobicContact CG1-CD1 3.84Å; V474-I485 HydrophobicContact CG1-CG1 4.16Å; V474-I485 HydrophobicContact CG2-CG1 4.47Å; I485-S487 WeakPolarHBondContact CG2-O 3.45Å; I485-I488 HydrophobicContact CG2-CG1 4.42Å; I485-L528 HydrophobicContact CD1-CD1 4Å; I485-L528 HydrophobicContact CD1-CD2 4.3Å; I485-L528 HydrophobicContact CG1-CD1 4.36Å
486	D	89	Confident	89.4	Confident	39 Å²	39	50.1 Å²	50.1	21%	0.209	24%	0.238	C	C	.	.			trans	-108.7	-20	177.9	-64	-63.4	0	0	0	112	R484 L529 H530 R531	R484-D486 WeakPolarHBondContact CD-OD1 3.24Å; R484-D486 IonicContact CZ-OD1 2.65Å; R484-D486 IonicContact NE-OD1 2.7Å; R484-D486 PolarHBondContact NE-OD1 2.93Å; R484-D486 IonicContact NH2-OD1 3.58Å; R484-D486 PolarHBondContact O-N 3.02Å; D486-L529 PolarHBondContact N-O 2.92Å; D486-H530 IonicContact OD2-CE1 3.91Å; D486-H530 IonicContact OD2-CG 3.43Å; D486-H530 IonicContact OD2-ND1 3.75Å; D486-H530 PolarHBondContact OD2-ND1 2.91Å; D486-R531 HydrophobicContact CB-CB 4.4Å; D486-R531 PolarHBondContact OD2-N 3.47Å
487	S	91.6	Very high	89.5	Confident	36 Å²	36	54.4 Å²	54.4	25%	0.252	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	176.1	164.9	-162.1	0	0	0	0	110.9	I485 L529	I485-S487 WeakPolarHBondContact CG2-O 3.45Å; S487-L529 PolarHBondContact N-O 2.85Å; S487-L529 VanDerWaalsContact N-O 3.09Å; S487-L529 PolarHBondContact O-N 3.39Å
488	I	93.3	Very high	89.8	Confident	7 Å²	7	53.7 Å²	53.7	4%	0.036	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.7	166.2	-56	173.5	0	0	0	107.7	C465 L469 I485 W490 P526 L528	C465-I488 HydrophobicContact CB-CD1 4.41Å; L469-I488 HydrophobicContact CB-CD1 4.2Å; L469-I488 HydrophobicContact CD1-CD1 3.8Å; I485-I488 HydrophobicContact CG2-CG1 4.42Å; I488-W490 HydrophobicContact CB-CZ2 4.22Å; I488-W490 HydrophobicContact CD1-CH2 4.39Å; I488-W490 HydrophobicContact CD1-CZ2 3.86Å; I488-W490 HydrophobicContact CG2-CD2 3.87Å; I488-W490 HydrophobicContact CG2-CE3 4.24Å; I488-W490 HydrophobicContact CG2-CG 4.36Å; I488-W490 HydrophobicContact CG2-CH2 4.31Å; I488-W490 HydrophobicContact CG2-CZ2 3.91Å; I488-W490 HydrophobicContact CG2-CZ3 4.45Å; I488-W490 PolarHBondContact O-N 2.9Å; I488-P526 HydrophobicContact CG2-CB 4.1Å; I488-P526 HydrophobicContact CG2-CG 4.33Å; I488-L528 HydrophobicContact CG1-CD2 4.27Å
489	E	93.3	Very high	89.8	Confident	38 Å²	38	55.5 Å²	55.5	18%	0.178	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	88.4	176.9	-66.1	-71.4	117.8	0	0	109.1	N491 K492 L527 L529 L549	E489-N491 PolarHBondContact O-N 3.31Å; E489-K492 HydrophobicContact CB-CB 4.18Å; E489-K492 HydrophobicContact CB-CD 4.12Å; E489-K492 HydrophobicContact CB-CG 4.39Å; E489-K492 HydrophobicContact CG-CD 4.31Å; E489-K492 PolarHBondContact O-N 3.27Å; E489-K492 WeakPolarHBondContact OE2-CE 3.47Å; E489-K492 IonicContact OE2-NZ 2.68Å; E489-K492 PolarHBondContact OE2-NZ 3.38Å; E489-L527 HydrophobicContact CB-CB 4.39Å; E489-L527 PolarHBondContact N-O 3.2Å; E489-L527 PolarHBondContact O-N 3.29Å; E489-L529 HydrophobicContact CG-CB 4.02Å; E489-L529 HydrophobicContact CG-CD2 4.13Å; E489-L549 HydrophobicContact CB-CD2 4.45Å; E489-L549 HydrophobicContact CG-CD2 3.71Å
490	W	91.6	Very high	89.6	Confident	51 Å²	51	55.3 Å²	55.3	19%	0.193	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.5	179.9	-59.9	104.7	0	0	0	113.8	M450 F461 Q462 C465 I488 P526	M450-W490 HydrophobicContact CE-CH2 3.43Å; M450-W490 VanDerWaalsContact CE-CH2 3.43Å; M450-W490 HydrophobicContact CE-CZ2 4.46Å; M450-W490 HydrophobicContact CE-CZ3 3.48Å; M450-W490 VanDerWaalsContact CE-CZ3 3.48Å; F461-W490 HydrophobicContact CD1-CZ3 4.39Å; F461-W490 HydrophobicContact CE1-CH2 4.03Å; F461-W490 AromaticContact CE1-CZ3 3.67Å; F461-W490 HydrophobicContact CE1-CZ3 3.67Å; F461-W490 HydrophobicContact CZ-CH2 4.24Å; F461-W490 HydrophobicContact CZ-CZ3 4.13Å; Q462-W490 HydrophobicContact CB-CD2 4.48Å; Q462-W490 HydrophobicContact CB-CH2 4.24Å; Q462-W490 HydrophobicContact CB-CZ2 3.8Å; Q462-W490 HydrophobicContact CG-CD2 3.96Å; Q462-W490 HydrophobicContact CG-CE3 4.06Å; Q462-W490 HydrophobicContact CG-CH2 4.05Å; Q462-W490 HydrophobicContact CG-CZ2 3.96Å; Q462-W490 HydrophobicContact CG-CZ3 4.1Å; C465-W490 HydrophobicContact CB-CH2 3.77Å; C465-W490 HydrophobicContact CB-CZ2 4.05Å; I488-W490 HydrophobicContact CB-CZ2 4.22Å; I488-W490 HydrophobicContact CD1-CH2 4.39Å; I488-W490 HydrophobicContact CD1-CZ2 3.86Å; I488-W490 HydrophobicContact CG2-CD2 3.87Å; I488-W490 HydrophobicContact CG2-CE3 4.24Å; I488-W490 HydrophobicContact CG2-CG 4.36Å; I488-W490 HydrophobicContact CG2-CH2 4.31Å; I488-W490 HydrophobicContact CG2-CZ2 3.91Å; I488-W490 HydrophobicContact CG2-CZ3 4.45Å; I488-W490 PolarHBondContact O-N 2.9Å; W490-P526 HydrophobicContact CE3-CB 3.9Å; W490-P526 HydrophobicContact CE3-CG 3.88Å; W490-P526 HydrophobicContact CZ3-CB 4.41Å; W490-P526 HydrophobicContact CZ3-CG 3.88Å
491	N	91.3	Very high	89.2	Confident	158 Å²	158	61.7 Å²	61.7	85%	0.845	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	11.7	-177.7	-59.8	-8.6	0	0	0	113.3	E489	E489-N491 PolarHBondContact O-N 3.31Å
492	K	91.8	Very high	88.7	Confident	68 Å²	68	61.7 Å²	61.7	30%	0.296	32%	0.316	S	S	.	.			trans	-133	148	-179.9	-66.3	176	-178.3	140.1	0	110.5	E489 P526 L527 L549	E489-K492 HydrophobicContact CB-CB 4.18Å; E489-K492 HydrophobicContact CB-CD 4.12Å; E489-K492 HydrophobicContact CB-CG 4.39Å; E489-K492 HydrophobicContact CG-CD 4.31Å; E489-K492 PolarHBondContact O-N 3.27Å; E489-K492 WeakPolarHBondContact OE2-CE 3.47Å; E489-K492 IonicContact OE2-NZ 2.68Å; E489-K492 PolarHBondContact OE2-NZ 3.38Å; K492-P526 WeakPolarHBondContact O-CA 3.42Å; K492-L527 HydrophobicContact CB-CD1 3.89Å; K492-L527 HydrophobicContact CB-CG 4.23Å; K492-L527 PolarHBondContact O-N 2.93Å; K492-L549 HydrophobicContact CD-CD1 3.93Å
493	S	93	Very high	88.3	Confident	20 Å²	20	62.5 Å²	62.5	14%	0.14	33%	0.332	C	S	.	.			trans	-134.8	167.8	-172.4	71.5	0	0	0	0	111.8	N495 D496	S493-N495 PolarHBondContact O-N 2.98Å; S493-N495 VanDerWaalsContact O-N 3.14Å; S493-N495 PolarHBondContact OG-N 3.13Å; S493-D496 WeakPolarHBondContact CA-OD2 3.46Å; S493-D496 WeakPolarHBondContact CB-OD2 3.33Å; S493-D496 PolarHBondContact N-OD2 2.84Å; S493-D496 WeakPolarHBondContact O-CB 3.46Å; S493-D496 PolarHBondContact O-N 2.9Å; S493-D496 VanDerWaalsContact O-N 3.08Å; S493-D496 PolarHBondContact OG-OD2 3.25Å
494	P	93.5	Very high	88.2	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-25.1	167.9	-30.8	34.2	0	0	0	115.8	D496 F508 L509 I520 M523 Q525 V551	P494-D496 VanDerWaalsContact C-N 3.3Å; P494-F508 WeakPolarHBondContact O-CB 3.4Å; P494-F508 PolarHBondContact O-N 3.39Å; P494-L509 HydrophobicContact CB-CD2 3.56Å; P494-L509 HydrophobicContact CB-CG 4.15Å; P494-L509 PolarHBondContact O-N 2.91Å; P494-I520 HydrophobicContact CB-CD1 4.48Å; P494-I520 HydrophobicContact CB-CG2 4.21Å; P494-I520 HydrophobicContact CG-CG2 4.08Å; P494-M523 WeakPolarHBondContact CD-O 3.25Å; P494-Q525 WeakPolarHBondContact CD-O 3.44Å; P494-Q525 HydrophobicContact CG-CG 3.76Å; P494-V551 HydrophobicContact CG-CG1 4.39Å
495	N	92.2	Very high	88.2	Confident	74 Å²	74	66 Å²	66	40%	0.396	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-20.9	178.1	-56.1	-54.2	0	0	0	112.9	S493 T507 M523	S493-N495 PolarHBondContact O-N 2.98Å; S493-N495 VanDerWaalsContact O-N 3.14Å; S493-N495 PolarHBondContact OG-N 3.13Å; N495-T507 WeakPolarHBondContact O-CG2 3.48Å; N495-M523 PolarHBondContact ND2-O 2.96Å
496	D	92.3	Very high	88.2	Confident	66 Å²	66	66.5 Å²	66.5	35%	0.353	36%	0.361	S	S	.	.	S	Bend	trans	-68.9	149.1	-176.2	-71.9	-82.7	0	0	0	112.2	S493 P494 T507 F508	S493-D496 WeakPolarHBondContact CA-OD2 3.46Å; S493-D496 WeakPolarHBondContact CB-OD2 3.33Å; S493-D496 PolarHBondContact N-OD2 2.84Å; S493-D496 WeakPolarHBondContact O-CB 3.46Å; S493-D496 PolarHBondContact O-N 2.9Å; S493-D496 VanDerWaalsContact O-N 3.08Å; S493-D496 PolarHBondContact OG-OD2 3.25Å; P494-D496 VanDerWaalsContact C-N 3.3Å; D496-T507 WeakPolarHBondContact O-CA 3.49Å; D496-F508 HydrophobicContact CB-CE2 4.4Å; D496-F508 VanDerWaalsContact O-CD2 3.24Å; D496-F508 WeakPolarHBondContact O-CD2 3.5Å; D496-F508 PolarHBondContact O-N 3.45Å
497	T	90.8	Very high	88.4	Confident	89 Å²	89	65.9 Å²	65.9	55%	0.546	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	145.5	-179.8	59.8	0	0	0	0	112.1	T506 T507	T497-T506 VanDerWaalsContact CA-O 3.28Å; T497-T506 WeakPolarHBondContact CA-O 3.28Å; T497-T507 HydrophobicContact CG2-CG2 3.88Å
498	F	88.8	Confident	88.4	Confident	56 Å²	56	64.7 Å²	64.7	25%	0.246	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	165.5	168.1	72.5	-78.8	0	0	0	110.1	L500 K505 T506 F508 Y511	F498-L500 HydrophobicContact CE2-CD2 3.74Å; F498-L500 HydrophobicContact CE2-CG 4.4Å; F498-L500 HydrophobicContact CZ-CD2 4.1Å; F498-K505 WeakPolarHBondContact O-CA 3.46Å; F498-T506 HydrophobicContact CD1-CG2 4.42Å; F498-T506 HydrophobicContact CE1-CG2 3.84Å; F498-T506 HydrophobicContact CZ-CG2 3.93Å; F498-T506 PolarHBondContact N-O 3.14Å; F498-T506 PolarHBondContact O-N 3.22Å; F498-T506 VanDerWaalsContact O-N 3.08Å; F498-F508 HydrophobicContact CB-CZ 4.3Å; F498-F508 AromaticContact CD1-CD1 3.93Å; F498-F508 HydrophobicContact CD1-CD1 3.93Å; F498-F508 HydrophobicContact CD1-CD2 4.35Å; F498-F508 AromaticContact CD1-CE1 3.69Å; F498-F508 HydrophobicContact CD1-CE1 3.69Å; F498-F508 HydrophobicContact CD1-CE2 4.12Å; F498-F508 HydrophobicContact CD1-CG 4.26Å; F498-F508 AromaticContact CD1-CZ 3.78Å; F498-F508 HydrophobicContact CD1-CZ 3.78Å; F498-F508 AromaticContact CE1-CD1 3.81Å; F498-F508 HydrophobicContact CE1-CD1 3.81Å; F498-F508 AromaticContact CE1-CE1 3.93Å; F498-F508 HydrophobicContact CE1-CE1 3.93Å; F498-F508 HydrophobicContact CE1-CG 4.26Å; F498-F508 HydrophobicContact CE1-CZ 4.46Å; F498-F508 HydrophobicContact CG-CE1 4.29Å; F498-F508 HydrophobicContact CG-CZ 4.23Å; F498-Y511 HydrophobicContact CE1-CG 4.16Å; F498-Y511 HydrophobicContact CE2-CD2 4.48Å; F498-Y511 HydrophobicContact CZ-CD1 4.19Å; F498-Y511 AromaticContact CZ-CD2 3.64Å; F498-Y511 HydrophobicContact CZ-CD2 3.64Å; F498-Y511 HydrophobicContact CZ-CE2 4.16Å; F498-Y511 AromaticContact CZ-CG 3.65Å; F498-Y511 HydrophobicContact CZ-CG 3.65Å
499	T	86.2	Confident	88.4	Confident	85 Å²	85	66.5 Å²	66.5	52%	0.521	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129.6	-177.4	-49.4	0	0	0	0	110.2	T504	T499-T504 CarbonylContact C-O 3.55Å; T499-T504 WeakPolarHBondContact CA-O 3.15Å
500	L	80.3	Confident	88.2	Confident	36 Å²	36	69.4 Å²	69.4	19%	0.188	37%	0.372	C	S	.	.			trans	-80.3	167.2	176.6	-71.5	171.4	0	0	0	111.7	F498 D502 G503 T504 T506 Y511	F498-L500 HydrophobicContact CE2-CD2 3.74Å; F498-L500 HydrophobicContact CE2-CG 4.4Å; F498-L500 HydrophobicContact CZ-CD2 4.1Å; L500-D502 VanDerWaalsContact CB-OD1 3.3Å; L500-D502 WeakPolarHBondContact CB-OD1 3.41Å; L500-D502 PolarHBondContact O-N 3.13Å; L500-D502 VanDerWaalsContact O-N 3.11Å; L500-G503 PolarHBondContact O-N 2.98Å; L500-T504 WeakPolarHBondContact CD1-OG1 3.32Å; L500-T504 PolarHBondContact N-O 3.34Å; L500-T506 HydrophobicContact CD1-CG2 3.74Å; L500-T506 HydrophobicContact CD2-CG2 4.36Å; L500-T506 HydrophobicContact CG-CG2 3.9Å; L500-Y511 HydrophobicContact CD2-CD2 3.91Å; L500-Y511 HydrophobicContact CD2-CE2 3.9Å
501	M	73.1	Confident	88.3	Confident	170 Å²	170	69.6 Å²	69.6	84%	0.837	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-9.6	-179.3	-71.9	-176.1	170.1	0	0	114.5
502	D	75.4	Confident	88.3	Confident	108 Å²	108	62.3 Å²	62.3	58%	0.578	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	5.6	172.7	51.8	28.6	0	0	0	112.9	L500 T504	L500-D502 VanDerWaalsContact CB-OD1 3.3Å; L500-D502 WeakPolarHBondContact CB-OD1 3.41Å; L500-D502 PolarHBondContact O-N 3.13Å; L500-D502 VanDerWaalsContact O-N 3.11Å; D502-T504 VanDerWaalsContact C-N 3.27Å; D502-T504 PolarHBondContact O-N 2.75Å; D502-T504 WeakPolarHBondContact OD1-CB 3.47Å; D502-T504 WeakPolarHBondContact OD1-CG2 3.25Å; D502-T504 PolarHBondContact OD1-N 2.73Å; D502-T504 PolarHBondContact OD1-OG1 2.99Å
503	G	77	Confident	88.3	Confident	55 Å²	55	62.2 Å²	62.2	57%	0.567	34%	0.341	S	S	*	.	S	Bend	trans	82.4	-5.3	-178.3	0	0	0	0	0	114.7	L500	L500-G503 PolarHBondContact O-N 2.98Å
504	T	87.3	Confident	88.2	Confident	72 Å²	72	69.5 Å²	69.5	44%	0.442	37%	0.371	S	S	.	.			trans	-73.9	144.7	177.9	64.7	0	0	0	0	111.4	T499 L500 D502	T499-T504 CarbonylContact C-O 3.55Å; T499-T504 WeakPolarHBondContact CA-O 3.15Å; L500-T504 WeakPolarHBondContact CD1-OG1 3.32Å; L500-T504 PolarHBondContact N-O 3.34Å; D502-T504 VanDerWaalsContact C-N 3.27Å; D502-T504 PolarHBondContact O-N 2.75Å; D502-T504 WeakPolarHBondContact OD1-CB 3.47Å; D502-T504 WeakPolarHBondContact OD1-CG2 3.25Å; D502-T504 PolarHBondContact OD1-N 2.73Å; D502-T504 PolarHBondContact OD1-OG1 2.99Å
505	K	88.9	Confident	87.9	Confident	155 Å²	155	73.1 Å²	73.1	67%	0.674	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	142.2	171.7	-67.4	-175.1	-178.8	-178.3	0	110	F498	F498-K505 WeakPolarHBondContact O-CA 3.46Å
506	T	92.5	Very high	87.8	Confident	14 Å²	14	73.7 Å²	73.7	9%	0.086	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	155.8	176.8	-167.5	0	0	0	0	109.8	T497 F498 L500 E510	T497-T506 VanDerWaalsContact CA-O 3.28Å; T497-T506 WeakPolarHBondContact CA-O 3.28Å; F498-T506 HydrophobicContact CD1-CG2 4.42Å; F498-T506 HydrophobicContact CE1-CG2 3.84Å; F498-T506 HydrophobicContact CZ-CG2 3.93Å; F498-T506 PolarHBondContact N-O 3.14Å; F498-T506 PolarHBondContact O-N 3.22Å; F498-T506 VanDerWaalsContact O-N 3.08Å; L500-T506 HydrophobicContact CD1-CG2 3.74Å; L500-T506 HydrophobicContact CD2-CG2 4.36Å; L500-T506 HydrophobicContact CG-CG2 3.9Å; T506-E510 VanDerWaalsContact CA-OE2 3.25Å; T506-E510 WeakPolarHBondContact CA-OE2 3.37Å; T506-E510 WeakPolarHBondContact CB-OE2 3.41Å; T506-E510 WeakPolarHBondContact OG1-CB 3.48Å; T506-E510 PolarHBondContact OG1-OE2 2.85Å
507	T	92.7	Very high	87.7	Confident	25 Å²	25	73.7 Å²	73.7	15%	0.153	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	163.3	170.8	64	0	0	0	0	111.2	N495 D496 T497 L509 E510 Y511	N495-T507 WeakPolarHBondContact O-CG2 3.48Å; D496-T507 WeakPolarHBondContact O-CA 3.49Å; T497-T507 HydrophobicContact CG2-CG2 3.88Å; T507-L509 VanDerWaalsContact C-N 3.27Å; T507-L509 PolarHBondContact O-N 2.97Å; T507-E510 PolarHBondContact N-OE2 2.66Å; T507-E510 WeakPolarHBondContact OG1-CB 3.44Å; T507-E510 VanDerWaalsContact OG1-CG 3.25Å; T507-E510 WeakPolarHBondContact OG1-CG 3.35Å; T507-E510 PolarHBondContact OG1-N 2.97Å; T507-E510 VanDerWaalsContact OG1-N 3.08Å; T507-Y511 WeakPolarHBondContact O-CB 3.36Å; T507-Y511 PolarHBondContact O-N 2.89Å
508	F	91.6	Very high	87.8	Confident	11 Å²	11	71.3 Å²	71.3	5%	0.048	39%	0.386	C	S	.	.	H	α-helix	trans	-63.7	-36.7	170.1	-62.2	-85.9	0	0	0	111.3	P494 D496 F498 Y511 Y512 L527 L549 V551	P494-F508 WeakPolarHBondContact O-CB 3.4Å; P494-F508 PolarHBondContact O-N 3.39Å; D496-F508 HydrophobicContact CB-CE2 4.4Å; D496-F508 VanDerWaalsContact O-CD2 3.24Å; D496-F508 WeakPolarHBondContact O-CD2 3.5Å; D496-F508 PolarHBondContact O-N 3.45Å; F498-F508 HydrophobicContact CB-CZ 4.3Å; F498-F508 AromaticContact CD1-CD1 3.93Å; F498-F508 HydrophobicContact CD1-CD1 3.93Å; F498-F508 HydrophobicContact CD1-CD2 4.35Å; F498-F508 AromaticContact CD1-CE1 3.69Å; F498-F508 HydrophobicContact CD1-CE1 3.69Å; F498-F508 HydrophobicContact CD1-CE2 4.12Å; F498-F508 HydrophobicContact CD1-CG 4.26Å; F498-F508 AromaticContact CD1-CZ 3.78Å; F498-F508 HydrophobicContact CD1-CZ 3.78Å; F498-F508 AromaticContact CE1-CD1 3.81Å; F498-F508 HydrophobicContact CE1-CD1 3.81Å; F498-F508 AromaticContact CE1-CE1 3.93Å; F498-F508 HydrophobicContact CE1-CE1 3.93Å; F498-F508 HydrophobicContact CE1-CG 4.26Å; F498-F508 HydrophobicContact CE1-CZ 4.46Å; F498-F508 HydrophobicContact CG-CE1 4.29Å; F498-F508 HydrophobicContact CG-CZ 4.23Å; F508-Y511 PolarHBondContact O-N 2.89Å; F508-Y512 HydrophobicContact CB-CD2 4.22Å; F508-Y512 HydrophobicContact CB-CE2 4.32Å; F508-Y512 HydrophobicContact CD1-CE2 4.31Å; F508-Y512 WeakPolarHBondContact O-CB 3.27Å; F508-Y512 WeakPolarHBondContact O-CD2 3.04Å; F508-Y512 PolarHBondContact O-N 3.18Å; F508-L527 HydrophobicContact CD2-CD1 3.93Å; F508-L527 HydrophobicContact CE1-CD1 4.33Å; F508-L527 HydrophobicContact CE2-CD1 3.42Å; F508-L527 VanDerWaalsContact CE2-CD1 3.42Å; F508-L527 HydrophobicContact CZ-CD1 3.65Å; F508-L549 HydrophobicContact CE1-CB 3.96Å; F508-L549 HydrophobicContact CZ-CB 3.9Å; F508-L549 HydrophobicContact CZ-CD1 3.91Å; F508-V551 HydrophobicContact CB-CG2 4.49Å
509	L	92.1	Very high	88	Confident	45 Å²	45	74 Å²	74	24%	0.236	41%	0.407	C	S	.	.	H	α-helix	trans	-56	-53.5	175.9	-58.3	-177.2	0	0	0	112.1	P494 T507 Y511 Y512 S513 I520 M523	P494-L509 HydrophobicContact CB-CD2 3.56Å; P494-L509 HydrophobicContact CB-CG 4.15Å; P494-L509 PolarHBondContact O-N 2.91Å; T507-L509 VanDerWaalsContact C-N 3.27Å; T507-L509 PolarHBondContact O-N 2.97Å; L509-Y511 PolarHBondContact O-N 3.31Å; L509-Y512 PolarHBondContact O-N 3.49Å; L509-S513 VanDerWaalsContact O-CB 3.3Å; L509-S513 WeakPolarHBondContact O-CB 3.35Å; L509-S513 PolarHBondContact O-N 2.99Å; L509-I520 HydrophobicContact CD2-CB 3.74Å; L509-I520 HydrophobicContact CD2-CD1 4.04Å; L509-I520 HydrophobicContact CD2-CG1 4.47Å; L509-I520 HydrophobicContact CD2-CG2 3.97Å; L509-M523 HydrophobicContact CD1-CE 4.33Å; L509-M523 HydrophobicContact CD1-SD 3.71Å; L509-M523 HydrophobicContact CD2-CE 4.35Å; L509-M523 HydrophobicContact CD2-SD 3.46Å; L509-M523 WeakPolarHBondContact CD2-SD 3.39Å; L509-M523 HydrophobicContact CG-SD 4.24Å
510	E	90.9	Very high	88.3	Confident	100 Å²	100	70 Å²	70	47%	0.467	38%	0.383	S	S	.	.	H	α-helix	trans	-59.2	-46.8	176.4	-74.5	163.9	-177	0	0	111.7	T506 T507 Y512 S513 K514	T506-E510 VanDerWaalsContact CA-OE2 3.25Å; T506-E510 WeakPolarHBondContact CA-OE2 3.37Å; T506-E510 WeakPolarHBondContact CB-OE2 3.41Å; T506-E510 WeakPolarHBondContact OG1-CB 3.48Å; T506-E510 PolarHBondContact OG1-OE2 2.85Å; T507-E510 PolarHBondContact N-OE2 2.66Å; T507-E510 WeakPolarHBondContact OG1-CB 3.44Å; T507-E510 VanDerWaalsContact OG1-CG 3.25Å; T507-E510 WeakPolarHBondContact OG1-CG 3.35Å; T507-E510 PolarHBondContact OG1-N 2.97Å; T507-E510 VanDerWaalsContact OG1-N 3.08Å; E510-Y512 PolarHBondContact O-N 3.3Å; E510-S513 PolarHBondContact O-N 3.23Å; E510-K514 WeakPolarHBondContact O-CB 3.42Å; E510-K514 PolarHBondContact O-N 3Å
511	Y	91.8	Very high	88.8	Confident	54 Å²	54	76.3 Å²	76.3	21%	0.212	41%	0.408	C	S	.	.	H	α-helix	trans	-60.7	-46.2	-179	176	-96.4	0	0	0	112.4	F498 L500 T507 F508 L509 N515 Y516	F498-Y511 HydrophobicContact CE1-CG 4.16Å; F498-Y511 HydrophobicContact CE2-CD2 4.48Å; F498-Y511 HydrophobicContact CZ-CD1 4.19Å; F498-Y511 AromaticContact CZ-CD2 3.64Å; F498-Y511 HydrophobicContact CZ-CD2 3.64Å; F498-Y511 HydrophobicContact CZ-CE2 4.16Å; F498-Y511 AromaticContact CZ-CG 3.65Å; F498-Y511 HydrophobicContact CZ-CG 3.65Å; L500-Y511 HydrophobicContact CD2-CD2 3.91Å; L500-Y511 HydrophobicContact CD2-CE2 3.9Å; T507-Y511 WeakPolarHBondContact O-CB 3.36Å; T507-Y511 PolarHBondContact O-N 2.89Å; F508-Y511 PolarHBondContact O-N 2.89Å; L509-Y511 PolarHBondContact O-N 3.31Å; Y511-N515 WeakPolarHBondContact CD2-ND2 3.35Å; Y511-N515 WeakPolarHBondContact CE2-ND2 3.43Å; Y511-N515 VanDerWaalsContact O-CB 3.28Å; Y511-N515 WeakPolarHBondContact O-CB 3.17Å; Y511-N515 PolarHBondContact O-N 3.35Å; Y511-Y516 AromaticContact CE1-CE2 3.85Å; Y511-Y516 HydrophobicContact CE1-CE2 3.85Å
512	Y	92.4	Very high	89.7	Confident	6 Å²	6	69.4 Å²	69.4	2%	0.024	37%	0.374	C	S	.	.	H	α-helix	trans	-71.3	-36.7	-179.8	-79.3	-66.7	0	0	0	112.8	Y478 F508 L509 E510 Y516 G517 I518 I520 V551 L554	Y478-Y512 HydrophobicContact CD2-CE1 4.46Å; Y478-Y512 AromaticContact CE1-CE1 3.94Å; Y478-Y512 HydrophobicContact CE1-CE1 3.94Å; Y478-Y512 HydrophobicContact CE2-CD1 4.5Å; Y478-Y512 AromaticContact CE2-CE1 3.71Å; Y478-Y512 HydrophobicContact CE2-CE1 3.71Å; Y478-Y512 AromaticContact CZ-CE1 3.45Å; Y478-Y512 VanDerWaalsContact CZ-CE1 3.45Å; Y478-Y512 WeakPolarHBondContact OH-CE1 3.18Å; Y478-Y512 PolarHBondContact OH-OH 3.41Å; F508-Y512 HydrophobicContact CB-CD2 4.22Å; F508-Y512 HydrophobicContact CB-CE2 4.32Å; F508-Y512 HydrophobicContact CD1-CE2 4.31Å; F508-Y512 WeakPolarHBondContact O-CB 3.27Å; F508-Y512 WeakPolarHBondContact O-CD2 3.04Å; F508-Y512 PolarHBondContact O-N 3.18Å; L509-Y512 PolarHBondContact O-N 3.49Å; E510-Y512 PolarHBondContact O-N 3.3Å; Y512-Y516 AromaticContact CD1-CD2 3.77Å; Y512-Y516 HydrophobicContact CD1-CD2 3.77Å; Y512-Y516 HydrophobicContact CD1-CE2 4.3Å; Y512-Y516 HydrophobicContact CE1-CD2 4.16Å; Y512-Y516 HydrophobicContact CE1-CE2 4.26Å; Y512-Y516 CarbonylContact O-C 3.6Å; Y512-Y516 WeakPolarHBondContact O-CB 3.33Å; Y512-Y516 PolarHBondContact O-N 3.38Å; Y512-G517 PolarHBondContact O-N 2.86Å; Y512-I518 CarbonylContact C-O 3.28Å; Y512-I518 PolarHBondContact O-N 3.49Å; Y512-I518 VanDerWaalsContact O-N 3.07Å; Y512-I520 HydrophobicContact CD2-CD1 3.61Å; Y512-I520 HydrophobicContact CE2-CD1 4.46Å; Y512-I520 HydrophobicContact CG-CD1 4.06Å; Y512-V551 HydrophobicContact CD2-CG2 4.15Å; Y512-V551 HydrophobicContact CE2-CB 4.49Å; Y512-V551 HydrophobicContact CE2-CG2 3.64Å; Y512-L554 HydrophobicContact CD1-CD1 3.58Å; Y512-L554 HydrophobicContact CD2-CD1 4.12Å; Y512-L554 HydrophobicContact CE1-CD1 3.85Å; Y512-L554 HydrophobicContact CE2-CD1 4.36Å; Y512-L554 HydrophobicContact CG-CD1 3.75Å
513	S	91.9	Very high	90.4	Very high	65 Å²	65	67.6 Å²	67.6	46%	0.455	36%	0.363	S	S	.	.	H	α-helix	trans	-64.3	-54.9	172.1	-179.2	0	0	0	0	111.4	L509 E510 G517 I518	L509-S513 VanDerWaalsContact O-CB 3.3Å; L509-S513 WeakPolarHBondContact O-CB 3.35Å; L509-S513 PolarHBondContact O-N 2.99Å; E510-S513 PolarHBondContact O-N 3.23Å; S513-G517 WeakPolarHBondContact O-CA 3.4Å; S513-G517 PolarHBondContact O-N 3.35Å; S513-I518 PolarHBondContact N-O 3.22Å
514	K	90	Very high	91	Very high	174 Å²	174	66.9 Å²	66.9	76%	0.757	35%	0.346	S	S	*	.	H	α-helix	trans	-69.2	-37.4	-173.4	-172.3	175.3	-178	176.2	0	114.3	E510	E510-K514 WeakPolarHBondContact O-CB 3.42Å; E510-K514 PolarHBondContact O-N 3Å
515	N	88.3	Confident	91.3	Very high	75 Å²	75	63.5 Å²	63.5	40%	0.401	33%	0.326	S	S	.	.	H	α-helix	trans	-98.7	-16.8	-174.4	-66.6	-16.4	0	0	0	114.3	Y511	Y511-N515 WeakPolarHBondContact CD2-ND2 3.35Å; Y511-N515 WeakPolarHBondContact CE2-ND2 3.43Å; Y511-N515 VanDerWaalsContact O-CB 3.28Å; Y511-N515 WeakPolarHBondContact O-CB 3.17Å; Y511-N515 PolarHBondContact O-N 3.35Å
516	Y	88.9	Confident	91.6	Very high	87 Å²	87	56.2 Å²	56.2	34%	0.341	29%	0.294	S	S	.	.	H	α-helix	trans	-134.7	-7.1	-177.1	-59.9	-69.8	0	0	0	114.9	Y478 N479 Y511 Y512 I518	Y478-Y516 AromaticContact CD2-CD1 3.75Å; Y478-Y516 HydrophobicContact CD2-CD1 3.75Å; Y478-Y516 AromaticContact CD2-CD2 3.84Å; Y478-Y516 HydrophobicContact CD2-CD2 3.84Å; Y478-Y516 AromaticContact CD2-CE1 3.67Å; Y478-Y516 HydrophobicContact CD2-CE1 3.67Å; Y478-Y516 AromaticContact CD2-CE2 3.73Å; Y478-Y516 HydrophobicContact CD2-CE2 3.73Å; Y478-Y516 AromaticContact CD2-CG 3.84Å; Y478-Y516 HydrophobicContact CD2-CG 3.84Å; Y478-Y516 AromaticContact CD2-CZ 3.65Å; Y478-Y516 HydrophobicContact CE2-CD2 4.1Å; Y478-Y516 HydrophobicContact CE2-CE1 4.27Å; Y478-Y516 AromaticContact CE2-CE2 3.66Å; Y478-Y516 HydrophobicContact CE2-CE2 3.66Å; Y478-Y516 AromaticContact CE2-CZ 3.76Å; Y478-Y516 HydrophobicContact CG-CD1 4.48Å; Y478-Y516 HydrophobicContact CG-CG 4.46Å; N479-Y516 HydrophobicContact CB-CE1 4.44Å; Y511-Y516 AromaticContact CE1-CE2 3.85Å; Y511-Y516 HydrophobicContact CE1-CE2 3.85Å; Y512-Y516 AromaticContact CD1-CD2 3.77Å; Y512-Y516 HydrophobicContact CD1-CD2 3.77Å; Y512-Y516 HydrophobicContact CD1-CE2 4.3Å; Y512-Y516 HydrophobicContact CE1-CD2 4.16Å; Y512-Y516 HydrophobicContact CE1-CE2 4.26Å; Y512-Y516 CarbonylContact O-C 3.6Å; Y512-Y516 WeakPolarHBondContact O-CB 3.33Å; Y512-Y516 PolarHBondContact O-N 3.38Å; Y516-I518 VanDerWaalsContact C-N 3.34Å
517	G	91.1	Very high	91.7	Very high	65 Å²	65	55.6 Å²	55.6	67%	0.67	29%	0.29	S	S	*	.			trans	72.2	25	-176.1	0	0	0	0	0	113.8	Y512 S513	Y512-G517 PolarHBondContact O-N 2.86Å; S513-G517 WeakPolarHBondContact O-CA 3.4Å; S513-G517 PolarHBondContact O-N 3.35Å
518	I	92.3	Very high	91.8	Very high	39 Å²	39	54.4 Å²	54.4	20%	0.2	28%	0.283	C	S	.	.			trans	-108.7	118.2	-170.6	-62.1	174.1	0	0	0	111.2	Y478 Y512 S513 Y516 L554	Y478-I518 HydrophobicContact CD1-CD1 4.23Å; Y478-I518 HydrophobicContact CG-CD1 4Å; Y512-I518 CarbonylContact C-O 3.28Å; Y512-I518 PolarHBondContact O-N 3.49Å; Y512-I518 VanDerWaalsContact O-N 3.07Å; S513-I518 PolarHBondContact N-O 3.22Å; Y516-I518 VanDerWaalsContact C-N 3.34Å; I518-L554 HydrophobicContact CG2-CD1 3.89Å; I518-L554 HydrophobicContact CG2-CD2 3.64Å; I518-L554 HydrophobicContact CG2-CG 4.44Å
519	T	92.9	Very high	91.9	Very high	112 Å²	112	53.9 Å²	53.9	69%	0.687	28%	0.281	S	S	*	.			trans	-85.3	117.9	166.5	-50.5	0	0	0	0	109.9
520	I	92.8	Very high	91.8	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.015	28%	0.277	C	S	.	.			trans	-77.3	140.9	169.9	-70.5	161.4	0	0	0	108.7	P494 L509 Y512 M523 V551 L554	P494-I520 HydrophobicContact CB-CD1 4.48Å; P494-I520 HydrophobicContact CB-CG2 4.21Å; P494-I520 HydrophobicContact CG-CG2 4.08Å; L509-I520 HydrophobicContact CD2-CB 3.74Å; L509-I520 HydrophobicContact CD2-CD1 4.04Å; L509-I520 HydrophobicContact CD2-CG1 4.47Å; L509-I520 HydrophobicContact CD2-CG2 3.97Å; Y512-I520 HydrophobicContact CD2-CD1 3.61Å; Y512-I520 HydrophobicContact CE2-CD1 4.46Å; Y512-I520 HydrophobicContact CG-CD1 4.06Å; I520-M523 HydrophobicContact CG2-SD 4.42Å; I520-M523 WeakPolarHBondContact O-CE 3.31Å; I520-V551 HydrophobicContact CD1-CB 4.44Å; I520-V551 HydrophobicContact CD1-CG1 4.12Å; I520-V551 HydrophobicContact CD1-CG2 3.91Å; I520-V551 HydrophobicContact CG1-CG1 4.34Å; I520-V551 HydrophobicContact CG2-CG1 4.36Å; I520-L554 HydrophobicContact CD1-CD1 4.17Å; I520-L554 HydrophobicContact CG1-CD1 3.97Å; I520-L554 HydrophobicContact CG1-CG 4.39Å
521	K	91.4	Very high	91.6	Very high	167 Å²	167	53.9 Å²	53.9	73%	0.726	28%	0.275	S	S	*	.	S	Bend	trans	-97.4	-47.7	-175.2	-63.3	172.8	-176.2	178	0	113	M523 E553	K521-M523 PolarHBondContact O-N 3.48Å; K521-E553 WeakPolarHBondContact CB-OE1 3.32Å; K521-E553 WeakPolarHBondContact CG-OE1 3.47Å; K521-E553 PolarHBondContact N-OE1 2.82Å; K521-E553 PolarHBondContact N-OE2 3.04Å; K521-E553 VanDerWaalsContact N-OE2 3.07Å
522	E	91	Very high	91	Very high	25 Å²	25	53.2 Å²	53.2	12%	0.117	28%	0.277	C	S	.	.			trans	-97.1	90.8	-173.7	-76	-72.8	-170.1	0	0	110.9	T145 L146 L447 N524 Q525 E553	T145-E522 WeakPolarHBondContact CB-OE1 3.46Å; L146-E522 HydrophobicContact CD1-CG 4.13Å; L146-E522 PolarHBondContact N-OE1 2.96Å; L447-E522 HydrophobicContact CD2-CB 3.92Å; L447-E522 HydrophobicContact CD2-CG 4.13Å; E522-N524 PolarHBondContact O-N 2.79Å; E522-N524 VanDerWaalsContact O-N 3.08Å; E522-Q525 WeakPolarHBondContact O-CG 3.4Å; E522-Q525 PolarHBondContact O-N 3.38Å; E522-Q525 PolarHBondContact O-NE2 2.92Å; E522-E553 PolarHBondContact N-OE2 3.18Å
523	M	90.7	Very high	89.5	Confident	70 Å²	70	61.6 Å²	61.6	35%	0.345	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-15.6	-171.9	-52	-51.7	-177.1	0	0	114.7	P494 N495 L509 I520 K521	P494-M523 WeakPolarHBondContact CD-O 3.25Å; N495-M523 PolarHBondContact ND2-O 2.96Å; L509-M523 HydrophobicContact CD1-CE 4.33Å; L509-M523 HydrophobicContact CD1-SD 3.71Å; L509-M523 HydrophobicContact CD2-CE 4.35Å; L509-M523 HydrophobicContact CD2-SD 3.46Å; L509-M523 WeakPolarHBondContact CD2-SD 3.39Å; L509-M523 HydrophobicContact CG-SD 4.24Å; I520-M523 HydrophobicContact CG2-SD 4.42Å; I520-M523 WeakPolarHBondContact O-CE 3.31Å; K521-M523 PolarHBondContact O-N 3.48Å
524	N	89.9	Confident	87.6	Confident	41 Å²	41	65.6 Å²	65.6	22%	0.219	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	0.9	-175.5	-62.1	-23.4	0	0	0	113.8	V147 F150 E522	V147-N524 PolarHBondContact O-ND2 3.18Å; F150-N524 HydrophobicContact CB-CB 3.91Å; F150-N524 HydrophobicContact CD2-CB 3.67Å; F150-N524 WeakPolarHBondContact CD2-O 3.3Å; F150-N524 HydrophobicContact CG-CB 4Å; F150-N524 WeakPolarHBondContact CG-O 3.45Å; E522-N524 PolarHBondContact O-N 2.79Å; E522-N524 VanDerWaalsContact O-N 3.08Å
525	Q	93.4	Very high	85.4	Confident	1 Å²	1	63 Å²	63	1%	0.005	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-64.3	145.2	-179.2	70.6	-167.7	-84.1	0	0	111.7	L447 P494 E522 V551 P552 E553	L447-Q525 HydrophobicContact CD1-CB 3.95Å; P494-Q525 WeakPolarHBondContact CD-O 3.44Å; P494-Q525 HydrophobicContact CG-CG 3.76Å; E522-Q525 WeakPolarHBondContact O-CG 3.4Å; E522-Q525 PolarHBondContact O-N 3.38Å; E522-Q525 PolarHBondContact O-NE2 2.92Å; Q525-V551 VanDerWaalsContact CD-CG1 3.49Å; Q525-V551 HydrophobicContact CG-CG1 4.29Å; Q525-V551 VanDerWaalsContact OE1-CG1 3.22Å; Q525-P552 VanDerWaalsContact OE1-CD 3.27Å; Q525-E553 PolarHBondContact NE2-OE2 2.95Å; Q525-E553 VanDerWaalsContact OE1-CB 3.27Å
526	P	94.8	Very high	83.1	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.013	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-68.6	168.2	175.7	31.4	-36.9	0	0	0	111.2	M450 I488 W490 K492 P552	M450-P526 HydrophobicContact CE-CG 3.55Å; M450-P526 HydrophobicContact SD-CG 4.37Å; I488-P526 HydrophobicContact CG2-CB 4.1Å; I488-P526 HydrophobicContact CG2-CG 4.33Å; W490-P526 HydrophobicContact CE3-CB 3.9Å; W490-P526 HydrophobicContact CE3-CG 3.88Å; W490-P526 HydrophobicContact CZ3-CB 4.41Å; W490-P526 HydrophobicContact CZ3-CG 3.88Å; K492-P526 WeakPolarHBondContact O-CA 3.42Å; P526-P552 WeakPolarHBondContact O-CD 3.35Å; P526-P552 WeakPolarHBondContact O-CG 3.46Å
527	L	95.1	Very high	80.7	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	141.4	177.3	-59.7	-179.1	0	0	0	112.4	E489 K492 F508 L549 V551	E489-L527 HydrophobicContact CB-CB 4.39Å; E489-L527 PolarHBondContact N-O 3.2Å; E489-L527 PolarHBondContact O-N 3.29Å; K492-L527 HydrophobicContact CB-CD1 3.89Å; K492-L527 HydrophobicContact CB-CG 4.23Å; K492-L527 PolarHBondContact O-N 2.93Å; F508-L527 HydrophobicContact CD2-CD1 3.93Å; F508-L527 HydrophobicContact CE1-CD1 4.33Å; F508-L527 HydrophobicContact CE2-CD1 3.42Å; F508-L527 VanDerWaalsContact CE2-CD1 3.42Å; F508-L527 HydrophobicContact CZ-CD1 3.65Å; L527-L549 HydrophobicContact CB-CB 4.44Å; L527-L549 HydrophobicContact CB-CD2 4.34Å; L527-L549 HydrophobicContact CD1-CB 4.16Å; L527-L549 HydrophobicContact CD1-CD1 4.15Å; L527-V551 HydrophobicContact CD2-CG2 3.97Å
528	L	94.8	Very high	78.1	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.005	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	130.9	172.8	-49.5	176.5	0	0	0	109.3	V446 I485 I488 L549 L550 P552	V446-L528 HydrophobicContact CB-CD1 4.04Å; V446-L528 HydrophobicContact CG1-CD1 3.91Å; V446-L528 HydrophobicContact CG1-CD2 3.95Å; V446-L528 HydrophobicContact CG2-CD1 3.98Å; I485-L528 HydrophobicContact CD1-CD1 4Å; I485-L528 HydrophobicContact CD1-CD2 4.3Å; I485-L528 HydrophobicContact CG1-CD1 4.36Å; I488-L528 HydrophobicContact CG1-CD2 4.27Å; L528-L549 CarbonylContact O-C 3.51Å; L528-L549 WeakPolarHBondContact O-CA 3.35Å; L528-L550 HydrophobicContact CB-CB 4.29Å; L528-L550 PolarHBondContact N-O 2.69Å; L528-L550 PolarHBondContact O-N 2.91Å; L528-P552 HydrophobicContact CD2-CG 4.08Å; L528-P552 HydrophobicContact CG-CG 3.96Å
529	L	92.7	Very high	75.8	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.4	-179.6	172.2	54.7	0	0	0	111.3	D486 S487 E489 R531 E547 L549	D486-L529 PolarHBondContact N-O 2.92Å; S487-L529 PolarHBondContact N-O 2.85Å; S487-L529 VanDerWaalsContact N-O 3.09Å; S487-L529 PolarHBondContact O-N 3.39Å; E489-L529 HydrophobicContact CG-CB 4.02Å; E489-L529 HydrophobicContact CG-CD2 4.13Å; L529-R531 HydrophobicContact CD1-CG 4.3Å; L529-R531 VanDerWaalsContact CD2-CZ 3.48Å; L529-R531 VanDerWaalsContact CD2-NH2 3.26Å; L529-R531 HydrophobicContact CG-CG 4.31Å; L529-E547 HydrophobicContact CD1-CB 3.56Å; L529-E547 HydrophobicContact CD1-CG 3.96Å; L529-L549 HydrophobicContact CB-CD2 4Å; L529-L549 HydrophobicContact CD1-CD2 3.92Å; L529-L549 HydrophobicContact CG-CD2 4.44Å
530	H	91	Very high	73.6	Confident	32 Å²	32	70.9 Å²	70.9	15%	0.148	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	133.6	164.5	176.1	43.8	0	0	0	110.5	Y483 R484 D486 I548	Y483-H530 AromaticContact CD1-CD2 3.65Å; R484-H530 WeakPolarHBondContact O-CA 3.32Å; R484-H530 VanDerWaalsContact O-CB 3.22Å; R484-H530 WeakPolarHBondContact O-CB 3.48Å; R484-H530 VanDerWaalsContact O-CG 3.3Å; R484-H530 PolarHBondContact O-ND1 3.35Å; D486-H530 IonicContact OD2-CE1 3.91Å; D486-H530 IonicContact OD2-CG 3.43Å; D486-H530 IonicContact OD2-ND1 3.75Å; D486-H530 PolarHBondContact OD2-ND1 2.91Å; H530-I548 HydrophobicContact CB-CB 4.33Å; H530-I548 PolarHBondContact N-O 3.02Å; H530-I548 PolarHBondContact O-N 3.46Å
531	R	86.9	Confident	71.1	Confident	113 Å²	113	74.8 Å²	74.8	43%	0.426	40%	0.4	S	S	.	.			trans	-106.9	107.3	173.3	-68.5	-178.2	173.5	117.7	-0.9	109.3	D486 L529 K533 E547	D486-R531 HydrophobicContact CB-CB 4.4Å; D486-R531 PolarHBondContact OD2-N 3.47Å; L529-R531 HydrophobicContact CD1-CG 4.3Å; L529-R531 VanDerWaalsContact CD2-CZ 3.48Å; L529-R531 VanDerWaalsContact CD2-NH2 3.26Å; L529-R531 HydrophobicContact CG-CG 4.31Å; R531-K533 PolarHBondContact O-N 2.77Å; R531-E547 HydrophobicContact CG-CG 4.48Å; R531-E547 IonicContact CZ-OE1 3.85Å; R531-E547 IonicContact NE-OE1 2.68Å; R531-E547 PolarHBondContact NE-OE1 2.82Å; R531-E547 IonicContact NH2-OE1 2.74Å; R531-E547 PolarHBondContact NH2-OE1 3.16Å
532	P	78.1	Confident	68.7	Low	39 Å²	39	76.3 Å²	76.3	25%	0.253	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-57	123.5	177.5	-25.2	35.2	0	0	0	110.7	E534 I544 G546 I548	P532-E534 PolarHBondContact O-N 3.14Å; P532-I544 HydrophobicContact CG-CG2 4.47Å; P532-G546 WeakPolarHBondContact CD-O 3.36Å; P532-I548 HydrophobicContact CG-CD1 3.71Å; P532-I548 HydrophobicContact CG-CG1 4Å
533	K	61.7	Low	66.6	Low	183 Å²	183	77.9 Å²	77.9	80%	0.796	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-61.4	116.4	178.4	-78.3	-155	168	-160.3	0	110.4	R531	R531-K533 PolarHBondContact O-N 2.77Å
534	E	51.8	Low	64.7	Low	148 Å²	148	79.5 Å²	79.5	69%	0.692	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-58.5	146.2	178.3	-163	169	-143.2	0	0	111.7	P532 I543	P532-E534 PolarHBondContact O-N 3.14Å; E534-I543 HydrophobicContact CG-CD1 3.52Å
535	R	44.4	Very low	62.8	Low	119 Å²	119	83 Å²	83	45%	0.449	45%	0.45	S	S	.	.			trans	-147	106.3	-177	-70.8	-175.6	175.3	-133.6	-7.3	111	V31 K537 I543	V31-R535 PolarHBondContact O-NH2 3.08Å; R535-K537 PolarHBondContact O-N 2.8Å; R535-I543 WeakPolarHBondContact O-CD1 3.16Å
536	S	38.5	Very low	61.4	Low	122 Å²	122	84.6 Å²	84.6	85%	0.853	47%	0.467	S	S	*	.			trans	-57.3	104.6	162.1	44.1	0	0	0	0	110.2
537	K	39.7	Very low	60.9	Low	144 Å²	144	89 Å²	89	63%	0.626	49%	0.487	S	S	*	.			trans	-89.9	135.3	157.4	-74.4	-173.7	178	-179	0	107.7	E28 R535 G539	E28-K537 IonicContact OE2-NZ 2.65Å; R535-K537 PolarHBondContact O-N 2.8Å; K537-G539 PolarHBondContact O-N 3.46Å
538	P	35.6	Very low	60.6	Low	135 Å²	135	91.1 Å²	91.1	88%	0.877	50%	0.498	S	S	*	.	S	Bend	trans	-55.4	138.6	158.6	-20.1	32.5	0	0	0	109.3
539	G	45.1	Very low	60.5	Low	66 Å²	66	92.7 Å²	92.7	68%	0.68	51%	0.506	S	S	*	.	S	Bend	trans	88.5	40.4	-178.6	0	0	0	0	0	115.7	K537 K541	K537-G539 PolarHBondContact O-N 3.46Å; G539-K541 PolarHBondContact O-N 2.64Å
540	G	45.8	Very low	60.6	Low	77 Å²	77	92.9 Å²	92.9	79%	0.794	51%	0.507	S	S	*	.			trans	31.7	86.6	153.1	0	0	0	0	0	118.3
541	K	39.8	Very low	60.8	Low	86 Å²	86	91.4 Å²	91.4	37%	0.374	50%	0.5	S	S	.	.			trans	-136	140.1	160.8	-72.8	-174.8	179.8	171.4	0	109.7	L308 H333 G539 I543	L308-K541 HydrophobicContact CD2-CD 4.4Å; L308-K541 HydrophobicContact CD2-CG 4.44Å; H333-K541 PolarHBondContact CE1-NZ 2.99Å; H333-K541 PolarHBondContact NE2-NZ 3.49Å; G539-K541 PolarHBondContact O-N 2.64Å; K541-I543 PolarHBondContact O-N 2.71Å
542	Q	42.6	Very low	61.2	Low	198 Å²	198	86 Å²	86	93%	0.925	48%	0.48	S	S	*	.			trans	-52.8	129.6	174.4	-77.7	174	-22.9	0	0	110.5
543	I	46.5	Very low	62	Low	59 Å²	59	85.6 Å²	85.6	30%	0.303	48%	0.475	S	S	.	.			trans	-76	169	175.4	-62.9	166.4	0	0	0	107.2	E534 R535 K541 T545	E534-I543 HydrophobicContact CG-CD1 3.52Å; R535-I543 WeakPolarHBondContact O-CD1 3.16Å; K541-I543 PolarHBondContact O-N 2.71Å; I543-T545 HydrophobicContact CB-CG2 3.85Å; I543-T545 HydrophobicContact CG2-CG2 4.45Å; I543-T545 PolarHBondContact O-N 3.01Å
544	I	50.3	Low	63.5	Low	104 Å²	104	77.7 Å²	77.7	53%	0.533	44%	0.441	S	S	.	.			trans	-73.4	78.6	161.2	-56.7	177.7	0	0	0	106.5	P532 G546	P532-I544 HydrophobicContact CG-CG2 4.47Å; I544-G546 PolarHBondContact O-N 2.63Å; I544-G546 VanDerWaalsContact O-N 3.08Å
545	T	49.4	Very low	65.4	Low	113 Å²	113	70.7 Å²	70.7	69%	0.693	41%	0.408	S	S	*	.			trans	-78.1	26.1	-179.9	56.1	0	0	0	0	112.1	I543	I543-T545 HydrophobicContact CB-CG2 3.85Å; I543-T545 HydrophobicContact CG2-CG2 4.45Å; I543-T545 PolarHBondContact O-N 3.01Å
546	G	65.9	Low	67.6	Low	35 Å²	35	66.6 Å²	66.6	36%	0.361	39%	0.394	S	S	.	.	S	Bend	trans	-111.5	135.6	-175.6	0	0	0	0	0	111.1	P532 I544 I548	P532-G546 WeakPolarHBondContact CD-O 3.36Å; I544-G546 PolarHBondContact O-N 2.63Å; I544-G546 VanDerWaalsContact O-N 3.08Å; G546-I548 PolarHBondContact O-N 2.97Å
547	E	83.3	Confident	69.9	Low	96 Å²	96	61.7 Å²	61.7	45%	0.449	36%	0.358	S	S	.	.			trans	-61.7	127	165.2	-72.6	-161.1	145.3	0	0	110.1	L529 R531	L529-E547 HydrophobicContact CD1-CB 3.56Å; L529-E547 HydrophobicContact CD1-CG 3.96Å; R531-E547 HydrophobicContact CG-CG 4.48Å; R531-E547 IonicContact CZ-OE1 3.85Å; R531-E547 IonicContact NE-OE1 2.68Å; R531-E547 PolarHBondContact NE-OE1 2.82Å; R531-E547 IonicContact NH2-OE1 2.74Å; R531-E547 PolarHBondContact NH2-OE1 3.16Å
548	I	89.8	Confident	72.1	Confident	44 Å²	44	56 Å²	56	23%	0.226	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	109.4	-179.1	-61	-176.5	0	0	0	108.6	Y483 H530 P532 G546 L550	Y483-I548 HydrophobicContact CE1-CD1 4.42Å; Y483-I548 HydrophobicContact CE1-CG2 4.41Å; H530-I548 HydrophobicContact CB-CB 4.33Å; H530-I548 PolarHBondContact N-O 3.02Å; H530-I548 PolarHBondContact O-N 3.46Å; P532-I548 HydrophobicContact CG-CD1 3.71Å; P532-I548 HydrophobicContact CG-CG1 4Å; G546-I548 PolarHBondContact O-N 2.97Å; I548-L550 HydrophobicContact CG2-CD2 3.87Å; I548-L550 HydrophobicContact CG2-CG 4.24Å
549	L	92.3	Very high	74.3	Confident	33 Å²	33	50.3 Å²	50.3	17%	0.173	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	134.9	175.9	-61.6	173.8	0	0	0	110.8	E489 K492 F508 L527 L528 L529	E489-L549 HydrophobicContact CB-CD2 4.45Å; E489-L549 HydrophobicContact CG-CD2 3.71Å; K492-L549 HydrophobicContact CD-CD1 3.93Å; F508-L549 HydrophobicContact CE1-CB 3.96Å; F508-L549 HydrophobicContact CZ-CB 3.9Å; F508-L549 HydrophobicContact CZ-CD1 3.91Å; L527-L549 HydrophobicContact CB-CB 4.44Å; L527-L549 HydrophobicContact CB-CD2 4.34Å; L527-L549 HydrophobicContact CD1-CB 4.16Å; L527-L549 HydrophobicContact CD1-CD1 4.15Å; L528-L549 CarbonylContact O-C 3.51Å; L528-L549 WeakPolarHBondContact O-CA 3.35Å; L529-L549 HydrophobicContact CB-CD2 4Å; L529-L549 HydrophobicContact CD1-CD2 3.92Å; L529-L549 HydrophobicContact CG-CD2 4.44Å
550	L	94.3	Very high	76	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.026	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142.8	-175.7	-53.7	168.6	0	0	0	110.1	V474 T476 Y483 L528 I548	V474-L550 HydrophobicContact CG2-CD1 4.3Å; T476-L550 HydrophobicContact CG2-CD2 4.44Å; Y483-L550 HydrophobicContact CD2-CD1 3.36Å; Y483-L550 HydrophobicContact CD2-CD2 3.89Å; Y483-L550 HydrophobicContact CD2-CG 4.28Å; Y483-L550 HydrophobicContact CE2-CD1 4.08Å; Y483-L550 HydrophobicContact CE2-CD2 3.69Å; Y483-L550 HydrophobicContact CG-CD1 3.66Å; L528-L550 HydrophobicContact CB-CB 4.29Å; L528-L550 PolarHBondContact N-O 2.69Å; L528-L550 PolarHBondContact O-N 2.91Å; I548-L550 HydrophobicContact CG2-CD2 3.87Å; I548-L550 HydrophobicContact CG2-CG 4.24Å
551	V	95.4	Very high	77.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.245	C	C	.	.			trans	-83.6	125.6	179.4	178.9	0	0	0	0	109.4	P494 F508 Y512 I520 Q525 L527 E553 L554 S555	P494-V551 HydrophobicContact CG-CG1 4.39Å; F508-V551 HydrophobicContact CB-CG2 4.49Å; Y512-V551 HydrophobicContact CD2-CG2 4.15Å; Y512-V551 HydrophobicContact CE2-CB 4.49Å; Y512-V551 HydrophobicContact CE2-CG2 3.64Å; I520-V551 HydrophobicContact CD1-CB 4.44Å; I520-V551 HydrophobicContact CD1-CG1 4.12Å; I520-V551 HydrophobicContact CD1-CG2 3.91Å; I520-V551 HydrophobicContact CG1-CG1 4.34Å; I520-V551 HydrophobicContact CG2-CG1 4.36Å; Q525-V551 VanDerWaalsContact CD-CG1 3.49Å; Q525-V551 HydrophobicContact CG-CG1 4.29Å; Q525-V551 VanDerWaalsContact OE1-CG1 3.22Å; L527-V551 HydrophobicContact CD2-CG2 3.97Å; V551-E553 VanDerWaalsContact C-N 3.32Å; V551-E553 HydrophobicContact CG1-CB 4.1Å; V551-E553 PolarHBondContact O-N 2.79Å; V551-L554 HydrophobicContact CB-CB 4.49Å; V551-L554 HydrophobicContact CB-CD1 4.39Å; V551-L554 HydrophobicContact CB-CG 4.26Å; V551-L554 HydrophobicContact CG1-CG 4.27Å; V551-L554 PolarHBondContact O-N 3.32Å; V551-L554 VanDerWaalsContact O-N 3.11Å; V551-S555 WeakPolarHBondContact O-CB 3.42Å; V551-S555 PolarHBondContact O-N 3.49Å; V551-S555 PolarHBondContact O-OG 2.78Å
552	P	95	Very high	79	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-53.7	-40.4	179.3	-28.3	32.1	0	0	0	115	V446 L447 M450 Q525 P526 L528 L554 S555	V446-P552 HydrophobicContact CB-CB 4.1Å; V446-P552 HydrophobicContact CG1-CB 4.17Å; V446-P552 PolarHBondContact N-O 2.61Å; L447-P552 HydrophobicContact CB-CB 3.98Å; L447-P552 PolarHBondContact N-O 2.97Å; M450-P552 HydrophobicContact SD-CB 4.39Å; M450-P552 HydrophobicContact SD-CG 4.39Å; Q525-P552 VanDerWaalsContact OE1-CD 3.27Å; P526-P552 WeakPolarHBondContact O-CD 3.35Å; P526-P552 WeakPolarHBondContact O-CG 3.46Å; L528-P552 HydrophobicContact CD2-CG 4.08Å; L528-P552 HydrophobicContact CG-CG 3.96Å; P552-L554 PolarHBondContact O-N 3.06Å; P552-S555 PolarHBondContact O-N 3.31Å; P552-S555 VanDerWaalsContact O-N 3.16Å; P552-S555 VanDerWaalsContact O-O 3.04Å
553	E	94.4	Very high	80.5	Confident	30 Å²	30	41.8 Å²	41.8	14%	0.14	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-58.8	-32.7	177.4	-173.3	179.4	154.5	0	0	112.7	L447 K521 E522 Q525 V551	L447-E553 HydrophobicContact CB-CB 4.41Å; L447-E553 HydrophobicContact CD2-CB 3.92Å; L447-E553 HydrophobicContact CD2-CG 4.27Å; K521-E553 WeakPolarHBondContact CB-OE1 3.32Å; K521-E553 WeakPolarHBondContact CG-OE1 3.47Å; K521-E553 PolarHBondContact N-OE1 2.82Å; K521-E553 PolarHBondContact N-OE2 3.04Å; K521-E553 VanDerWaalsContact N-OE2 3.07Å; E522-E553 PolarHBondContact N-OE2 3.18Å; Q525-E553 PolarHBondContact NE2-OE2 2.95Å; Q525-E553 VanDerWaalsContact OE1-CB 3.27Å; V551-E553 VanDerWaalsContact C-N 3.32Å; V551-E553 HydrophobicContact CG1-CB 4.1Å; V551-E553 PolarHBondContact O-N 2.79Å
554	L	92.7	Very high	81.9	Confident	18 Å²	18	39.7 Å²	39.7	9%	0.094	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-97.3	2.3	-177.9	-51.4	-174.7	0	0	0	113.1	Y478 Y512 I518 I520 V551 P552	Y478-L554 HydrophobicContact CD1-CB 4.22Å; Y478-L554 HydrophobicContact CE1-CB 3.87Å; Y478-L554 HydrophobicContact CE1-CD1 4.47Å; Y512-L554 HydrophobicContact CD1-CD1 3.58Å; Y512-L554 HydrophobicContact CD2-CD1 4.12Å; Y512-L554 HydrophobicContact CE1-CD1 3.85Å; Y512-L554 HydrophobicContact CE2-CD1 4.36Å; Y512-L554 HydrophobicContact CG-CD1 3.75Å; I518-L554 HydrophobicContact CG2-CD1 3.89Å; I518-L554 HydrophobicContact CG2-CD2 3.64Å; I518-L554 HydrophobicContact CG2-CG 4.44Å; I520-L554 HydrophobicContact CD1-CD1 4.17Å; I520-L554 HydrophobicContact CG1-CD1 3.97Å; I520-L554 HydrophobicContact CG1-CG 4.39Å; V551-L554 HydrophobicContact CB-CB 4.49Å; V551-L554 HydrophobicContact CB-CD1 4.39Å; V551-L554 HydrophobicContact CB-CG 4.26Å; V551-L554 HydrophobicContact CG1-CG 4.27Å; V551-L554 PolarHBondContact O-N 3.32Å; V551-L554 VanDerWaalsContact O-N 3.11Å; P552-L554 PolarHBondContact O-N 3.06Å
555	S	92.8	Very high	83.2	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	127.6	-174.8	-60.1	0	0	0	0	110.3	S445 V446 V551 P552	S445-S555 CarbonylContact C-O 3.6Å; S445-S555 WeakPolarHBondContact CA-O 3.15Å; V446-S555 PolarHBondContact N-O 2.93Å; V551-S555 WeakPolarHBondContact O-CB 3.42Å; V551-S555 PolarHBondContact O-N 3.49Å; V551-S555 PolarHBondContact O-OG 2.78Å; P552-S555 PolarHBondContact O-N 3.31Å; P552-S555 VanDerWaalsContact O-N 3.16Å; P552-S555 VanDerWaalsContact O-O 3.04Å
556	F	90.5	Very high	84.3	Confident	33 Å²	33	42.1 Å²	42.1	15%	0.145	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.3	-176.1	-64.2	-96.6	0	0	0	110.4	N443 D444 V474 I475 R477	N443-F556 WeakPolarHBondContact O-CE1 3.35Å; D444-F556 WeakPolarHBondContact O-CD1 3.44Å; V474-F556 CarbonylContact C-O 3.51Å; V474-F556 WeakPolarHBondContact CA-O 3.31Å; I475-F556 HydrophobicContact CG2-CB 4.08Å; I475-F556 PolarHBondContact N-O 3.02Å; I475-F556 PolarHBondContact O-N 2.92Å; R477-F556 HydrophobicContact CB-CE2 4.47Å; R477-F556 HydrophobicContact CG-CD2 3.62Å; R477-F556 HydrophobicContact CG-CE2 3.84Å; R477-F556 HydrophobicContact CG-CG 4.29Å; R477-F556 VanDerWaalsContact NE-CG 3.33Å
557	L	87.6	Confident	84.9	Confident	19 Å²	19	43.3 Å²	43.3	10%	0.099	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	142.9	178.7	-76.7	175	0	0	0	111.9	Q442 V446 L449 L469 A472 V474	Q442-L557 HydrophobicContact CB-CB 4.3Å; Q442-L557 WeakPolarHBondContact CB-O 3.49Å; Q442-L557 HydrophobicContact CG-CB 4.36Å; Q442-L557 PolarHBondContact N-O 2.88Å; V446-L557 HydrophobicContact CG2-CD2 4.45Å; V446-L557 HydrophobicContact CG2-CG 4.24Å; L449-L557 HydrophobicContact CD2-CD1 3.43Å; L449-L557 VanDerWaalsContact CD2-CD1 3.43Å; L469-L557 HydrophobicContact CD2-CD1 4.45Å; L469-L557 HydrophobicContact CD2-CD2 4.44Å; A472-L557 HydrophobicContact CB-CD2 3.81Å; V474-L557 HydrophobicContact CG1-CD2 3.99Å
558	T	85.6	Confident	84.5	Confident	25 Å²	25	45.2 Å²	45.2	15%	0.153	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	146.2	178.4	80.1	0	0	0	0	112.6	K439 L441 I473 I475	K439-T558 VanDerWaalsContact NZ-CB 3.33Å; K439-T558 PolarHBondContact NZ-OG1 3.16Å; K439-T558 VanDerWaalsContact NZ-OG1 3.13Å; L441-T558 HydrophobicContact CD2-CG2 3.67Å; I473-T558 WeakPolarHBondContact O-CB 3.25Å; I473-T558 WeakPolarHBondContact O-CG2 3.34Å; I473-T558 PolarHBondContact O-N 3.25Å; I473-T558 PolarHBondContact O-OG1 3.07Å; I475-T558 HydrophobicContact CB-CG2 3.61Å; I475-T558 HydrophobicContact CG2-CG2 3.73Å
559	G	81.3	Confident	84.1	Confident	16 Å²	16	52.7 Å²	52.7	17%	0.165	24%	0.243	C	C	.	.	S	Bend	trans	82.5	178.2	-175.7	0	0	0	0	0	113.7	V440 Q442	V440-G559 PolarHBondContact O-N 3.2Å; Q442-G559 PolarHBondContact NE2-O 3.43Å
560	I	80.4	Confident	83.5	Confident	8 Å²	8	51.5 Å²	51.5	4%	0.041	24%	0.238	C	C	.	.			trans	-77.9	127.3	-170.5	-47.1	178.7	0	0	0	109.8	L39 V440 M564 R565 M571 L574	L39-I560 HydrophobicContact CD2-CD1 4.19Å; V440-I560 HydrophobicContact CG1-CG1 4.49Å; I560-M564 HydrophobicContact CG2-CB 4.25Å; I560-M564 HydrophobicContact CG2-CG 4.15Å; I560-M564 HydrophobicContact CG2-SD 3.88Å; I560-R565 HydrophobicContact CB-CG 4.32Å; I560-R565 HydrophobicContact CG2-CG 3.88Å; I560-R565 VanDerWaalsContact O-CZ 3.24Å; I560-R565 PolarHBondContact O-NE 2.91Å; I560-R565 PolarHBondContact O-NH2 2.86Å; I560-M571 HydrophobicContact CD1-CE 3.79Å; I560-M571 HydrophobicContact CD1-SD 3.96Å; I560-M571 HydrophobicContact CG2-SD 4.19Å; I560-L574 HydrophobicContact CD1-CD2 3.66Å; I560-L574 HydrophobicContact CG1-CD2 3.73Å; I560-L574 HydrophobicContact CG2-CD2 4.16Å
561	P	77.6	Confident	82.9	Confident	37 Å²	37	52.7 Å²	52.7	24%	0.24	24%	0.244	C	C	.	.			trans	-58.2	142.5	174.9	-22.4	30.7	0	0	0	112.9	Q442 K563 M564 R565	Q442-P561 HydrophobicContact CG-CG 4.27Å; P561-K563 VanDerWaalsContact C-N 3.3Å; P561-K563 PolarHBondContact O-N 3.29Å; P561-M564 HydrophobicContact CB-CB 4.04Å; P561-M564 HydrophobicContact CG-CB 4.27Å; P561-M564 WeakPolarHBondContact O-CA 3.37Å; P561-M564 WeakPolarHBondContact O-CB 3.18Å; P561-M564 PolarHBondContact O-N 3.02Å; P561-R565 PolarHBondContact O-N 3.35Å
562	E	72.5	Confident	82.3	Confident	84 Å²	84	59.4 Å²	59.4	39%	0.393	27%	0.273	S	S	.	.	H	α-helix	trans	-63.6	-35.7	178.8	-178.1	53.8	-146.6	0	0	112.4	M564 R565 K566	E562-M564 VanDerWaalsContact C-N 3.25Å; E562-M564 PolarHBondContact O-N 2.91Å; E562-R565 PolarHBondContact O-N 2.8Å; E562-R565 WeakPolarHBondContact OE2-CD 3.22Å; E562-R565 IonicContact OE2-CZ 3.66Å; E562-R565 IonicContact OE2-NE 3.67Å; E562-R565 IonicContact OE2-NH1 3.64Å; E562-R565 PolarHBondContact OE2-NH1 2.96Å; E562-K566 PolarHBondContact O-N 3.01Å; E562-K566 WeakPolarHBondContact OE1-CE 3.42Å; E562-K566 IonicContact OE1-NZ 2.74Å; E562-K566 PolarHBondContact OE1-NZ 2.99Å
563	K	72.4	Confident	81.7	Confident	118 Å²	118	62.6 Å²	62.6	51%	0.513	29%	0.288	S	S	.	.	H	α-helix	trans	-59.3	-36.6	171.6	-61.5	179.3	-175.1	177.1	0	111.5	P561	P561-K563 VanDerWaalsContact C-N 3.3Å; P561-K563 PolarHBondContact O-N 3.29Å
564	M	77.1	Confident	81.2	Confident	15 Å²	15	61.1 Å²	61.1	7%	0.074	28%	0.281	C	S	.	.	H	α-helix	trans	-77.2	-34.8	177.9	-177.9	-176.8	172.6	0	0	113.2	Q411 L413 I560 P561 E562 K566 D567 A570 L574	Q411-M564 HydrophobicContact CB-CE 4.48Å; Q411-M564 HydrophobicContact CG-CE 4.15Å; L413-M564 HydrophobicContact CD1-CE 3.77Å; L413-M564 HydrophobicContact CD1-SD 3.6Å; I560-M564 HydrophobicContact CG2-CB 4.25Å; I560-M564 HydrophobicContact CG2-CG 4.15Å; I560-M564 HydrophobicContact CG2-SD 3.88Å; P561-M564 HydrophobicContact CB-CB 4.04Å; P561-M564 HydrophobicContact CG-CB 4.27Å; P561-M564 WeakPolarHBondContact O-CA 3.37Å; P561-M564 WeakPolarHBondContact O-CB 3.18Å; P561-M564 PolarHBondContact O-N 3.02Å; E562-M564 VanDerWaalsContact C-N 3.25Å; E562-M564 PolarHBondContact O-N 2.91Å; M564-K566 PolarHBondContact O-N 2.84Å; M564-K566 VanDerWaalsContact O-N 3.11Å; M564-D567 PolarHBondContact O-N 2.89Å; M564-A570 HydrophobicContact CE-CB 3.98Å; M564-A570 WeakPolarHBondContact CE-O 3.41Å; M564-A570 HydrophobicContact CG-CB 3.81Å; M564-L574 HydrophobicContact CE-CB 3.62Å; M564-L574 HydrophobicContact CE-CD2 3.66Å; M564-L574 HydrophobicContact CE-CG 4.26Å
565	R	77.1	Confident	80.8	Confident	124 Å²	124	61.4 Å²	61.4	47%	0.468	28%	0.284	S	S	.	.	H	α-helix	trans	-58.6	-24.3	174	-65.2	179.2	-157.5	145.8	0	112.5	I560 P561 E562	I560-R565 HydrophobicContact CB-CG 4.32Å; I560-R565 HydrophobicContact CG2-CG 3.88Å; I560-R565 VanDerWaalsContact O-CZ 3.24Å; I560-R565 PolarHBondContact O-NE 2.91Å; I560-R565 PolarHBondContact O-NH2 2.86Å; P561-R565 PolarHBondContact O-N 3.35Å; E562-R565 PolarHBondContact O-N 2.8Å; E562-R565 WeakPolarHBondContact OE2-CD 3.22Å; E562-R565 IonicContact OE2-CZ 3.66Å; E562-R565 IonicContact OE2-NE 3.67Å; E562-R565 IonicContact OE2-NH1 3.64Å; E562-R565 PolarHBondContact OE2-NH1 2.96Å
566	K	72.9	Confident	80.2	Confident	144 Å²	144	66.2 Å²	66.2	63%	0.626	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-17.9	176.7	-68.8	165.4	179	155.4	0	113.6	E562 M564	E562-K566 PolarHBondContact O-N 3.01Å; E562-K566 WeakPolarHBondContact OE1-CE 3.42Å; E562-K566 IonicContact OE1-NZ 2.74Å; E562-K566 PolarHBondContact OE1-NZ 2.99Å; M564-K566 PolarHBondContact O-N 2.84Å; M564-K566 VanDerWaalsContact O-N 3.11Å
567	D	78.3	Confident	79.7	Confident	60 Å²	60	68.5 Å²	68.5	32%	0.321	32%	0.32	S	S	.	.			trans	-91.1	107.8	169.7	179	21.2	0	0	0	111.5	M564 R569 A570 M571	M564-D567 PolarHBondContact O-N 2.89Å; D567-R569 PolarHBondContact O-N 2.59Å; D567-R569 WeakPolarHBondContact OD1-CB 3.39Å; D567-R569 PolarHBondContact OD1-N 3.49Å; D567-A570 HydrophobicContact CB-CB 4.23Å; D567-A570 VanDerWaalsContact OD2-CB 3.27Å; D567-A570 WeakPolarHBondContact OD2-CB 3.47Å; D567-A570 PolarHBondContact OD2-N 2.9Å; D567-A570 VanDerWaalsContact OD2-N 3.1Å; D567-M571 VanDerWaalsContact O-CB 3.24Å; D567-M571 WeakPolarHBondContact O-CB 3.35Å; D567-M571 PolarHBondContact O-N 3.25Å
568	M	74.4	Confident	79.5	Confident	136 Å²	136	68.9 Å²	68.9	67%	0.67	32%	0.322	S	S	*	.	H	α-helix	trans	-61	-23.1	176.9	-59.6	-170.6	76.8	0	0	113.8	K572	M568-K572 VanDerWaalsContact O-CB 3.26Å; M568-K572 WeakPolarHBondContact O-CB 3.31Å; M568-K572 PolarHBondContact O-N 3.18Å; M568-K572 VanDerWaalsContact O-N 3.16Å
569	R	81	Confident	79.4	Confident	201 Å²	201	70.6 Å²	70.6	76%	0.758	33%	0.33	S	S	*	.	H	α-helix	trans	-78.2	-58.2	179.4	-67.1	-176	-67.2	-168.3	0.5	110.9	D567 M571 K572 E573	D567-R569 PolarHBondContact O-N 2.59Å; D567-R569 WeakPolarHBondContact OD1-CB 3.39Å; D567-R569 PolarHBondContact OD1-N 3.49Å; R569-M571 VanDerWaalsContact C-N 3.27Å; R569-M571 PolarHBondContact O-N 3.13Å; R569-K572 WeakPolarHBondContact O-CB 3.27Å; R569-K572 PolarHBondContact O-N 2.82Å; R569-E573 PolarHBondContact O-N 2.85Å
570	A	80	Confident	79.5	Confident	9 Å²	9	70.9 Å²	70.9	7%	0.074	33%	0.329	C	S	.	.	H	α-helix	trans	-56.6	-41.4	175.6	0	0	0	0	0	112.1	Q411 M564 D567 K572 E573 L574	Q411-A570 HydrophobicContact CG-CB 3.89Å; M564-A570 HydrophobicContact CE-CB 3.98Å; M564-A570 WeakPolarHBondContact CE-O 3.41Å; M564-A570 HydrophobicContact CG-CB 3.81Å; D567-A570 HydrophobicContact CB-CB 4.23Å; D567-A570 VanDerWaalsContact OD2-CB 3.27Å; D567-A570 WeakPolarHBondContact OD2-CB 3.47Å; D567-A570 PolarHBondContact OD2-N 2.9Å; D567-A570 VanDerWaalsContact OD2-N 3.1Å; A570-K572 PolarHBondContact O-N 3.26Å; A570-E573 PolarHBondContact O-N 3.29Å; A570-L574 PolarHBondContact O-N 3.23Å; A570-L574 VanDerWaalsContact O-N 3.07Å
571	M	82.9	Confident	79.9	Confident	30 Å²	30	72.4 Å²	72.4	15%	0.148	34%	0.34	C	S	.	.	H	α-helix	trans	-65.6	-36.5	175.9	-169.4	64.6	-116.5	0	0	112.4	L39 I560 D567 R569 L574 T575	L39-M571 HydrophobicContact CD1-CE 3.71Å; L39-M571 HydrophobicContact CD2-CE 3.94Å; L39-M571 HydrophobicContact CG-CE 4.47Å; I560-M571 HydrophobicContact CD1-CE 3.79Å; I560-M571 HydrophobicContact CD1-SD 3.96Å; I560-M571 HydrophobicContact CG2-SD 4.19Å; D567-M571 VanDerWaalsContact O-CB 3.24Å; D567-M571 WeakPolarHBondContact O-CB 3.35Å; D567-M571 PolarHBondContact O-N 3.25Å; R569-M571 VanDerWaalsContact C-N 3.27Å; R569-M571 PolarHBondContact O-N 3.13Å; M571-L574 HydrophobicContact CE-CD2 4.14Å; M571-L574 HydrophobicContact CE-CG 4.39Å; M571-T575 VanDerWaalsContact CE-OG1 3.3Å; M571-T575 WeakPolarHBondContact CE-OG1 3.4Å; M571-T575 VanDerWaalsContact O-CB 3.3Å; M571-T575 WeakPolarHBondContact O-CB 3.38Å; M571-T575 PolarHBondContact O-N 3.3Å; M571-T575 PolarHBondContact O-OG1 3.17Å
572	K	83	Confident	80.3	Confident	141 Å²	141	71 Å²	71	61%	0.613	33%	0.331	S	S	*	.	H	α-helix	trans	-65.3	-45.9	174.6	-175.2	-165.6	174.9	-161.4	0	111.6	M568 R569 A570 T575 N576	M568-K572 VanDerWaalsContact O-CB 3.26Å; M568-K572 WeakPolarHBondContact O-CB 3.31Å; M568-K572 PolarHBondContact O-N 3.18Å; M568-K572 VanDerWaalsContact O-N 3.16Å; R569-K572 WeakPolarHBondContact O-CB 3.27Å; R569-K572 PolarHBondContact O-N 2.82Å; A570-K572 PolarHBondContact O-N 3.26Å; K572-T575 WeakPolarHBondContact O-CB 3.47Å; K572-T575 PolarHBondContact O-N 3.39Å; K572-T575 VanDerWaalsContact O-N 3.14Å; K572-N576 PolarHBondContact O-N 3.03Å; K572-N576 VanDerWaalsContact O-N 3.07Å; K572-N576 PolarHBondContact O-OD1 3.16Å
573	E	81.4	Confident	81	Confident	66 Å²	66	72.3 Å²	72.3	31%	0.308	34%	0.337	S	S	.	.	H	α-helix	trans	-58.2	-51.5	179.2	-169.7	165.1	-163	0	0	110.5	Q411 R569 A570 T575 N576 H577	Q411-E573 PolarHBondContact NE2-OE2 3.25Å; R569-E573 PolarHBondContact O-N 2.85Å; A570-E573 PolarHBondContact O-N 3.29Å; E573-T575 VanDerWaalsContact C-N 3.33Å; E573-T575 PolarHBondContact O-N 3.14Å; E573-N576 WeakPolarHBondContact O-CB 3.43Å; E573-N576 PolarHBondContact O-N 3.2Å; E573-H577 PolarHBondContact O-CD2 3.47Å; E573-H577 VanDerWaalsContact O-CD2 3.3Å
574	L	84.4	Confident	81.8	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-58.5	-41	172.9	175.4	62.4	0	0	0	112.9	L408 L413 V415 V440 I560 M564 A570 M571 N576 H577 I578	L408-L574 HydrophobicContact CD1-CB 4.26Å; L408-L574 HydrophobicContact CD1-CD1 3.81Å; L413-L574 HydrophobicContact CD1-CD2 4.19Å; V415-L574 HydrophobicContact CG2-CD1 3.64Å; V440-L574 HydrophobicContact CG1-CD1 4.48Å; V440-L574 HydrophobicContact CG1-CD2 4.41Å; V440-L574 HydrophobicContact CG2-CD1 4.03Å; V440-L574 HydrophobicContact CG2-CD2 4.42Å; I560-L574 HydrophobicContact CD1-CD2 3.66Å; I560-L574 HydrophobicContact CG1-CD2 3.73Å; I560-L574 HydrophobicContact CG2-CD2 4.16Å; M564-L574 HydrophobicContact CE-CB 3.62Å; M564-L574 HydrophobicContact CE-CD2 3.66Å; M564-L574 HydrophobicContact CE-CG 4.26Å; A570-L574 PolarHBondContact O-N 3.23Å; A570-L574 VanDerWaalsContact O-N 3.07Å; M571-L574 HydrophobicContact CE-CD2 4.14Å; M571-L574 HydrophobicContact CE-CG 4.39Å; L574-N576 VanDerWaalsContact C-N 3.27Å; L574-N576 PolarHBondContact O-N 3.23Å; L574-H577 PolarHBondContact O-N 3.23Å; L574-H577 VanDerWaalsContact O-N 3.1Å; L574-I578 HydrophobicContact CD1-CD1 4.41Å; L574-I578 HydrophobicContact CD1-CG2 4.28Å; L574-I578 HydrophobicContact CG-CD1 4.06Å; L574-I578 WeakPolarHBondContact O-CG1 3.46Å; L574-I578 PolarHBondContact O-N 3.32Å
575	T	82.8	Confident	82.3	Confident	24 Å²	24	71.5 Å²	71.5	15%	0.147	34%	0.335	C	S	.	.	H	α-helix	trans	-59.1	-38.2	179.6	-60.8	0	0	0	0	111.8	L39 M571 K572 E573 H577 I578 N579	L39-T575 HydrophobicContact CD1-CG2 4.23Å; M571-T575 VanDerWaalsContact CE-OG1 3.3Å; M571-T575 WeakPolarHBondContact CE-OG1 3.4Å; M571-T575 VanDerWaalsContact O-CB 3.3Å; M571-T575 WeakPolarHBondContact O-CB 3.38Å; M571-T575 PolarHBondContact O-N 3.3Å; M571-T575 PolarHBondContact O-OG1 3.17Å; K572-T575 WeakPolarHBondContact O-CB 3.47Å; K572-T575 PolarHBondContact O-N 3.39Å; K572-T575 VanDerWaalsContact O-N 3.14Å; E573-T575 VanDerWaalsContact C-N 3.33Å; E573-T575 PolarHBondContact O-N 3.14Å; T575-H577 PolarHBondContact O-N 3.22Å; T575-I578 PolarHBondContact O-N 3.45Å; T575-N579 HydrophobicContact CG2-CB 4.03Å; T575-N579 VanDerWaalsContact CG2-ND2 3.35Å; T575-N579 WeakPolarHBondContact CG2-ND2 3.3Å; T575-N579 WeakPolarHBondContact O-CB 3.07Å; T575-N579 PolarHBondContact O-N 3.26Å
576	N	82.1	Confident	82.8	Confident	100 Å²	100	65.7 Å²	65.7	54%	0.535	31%	0.313	S	S	.	.	H	α-helix	trans	-59.6	-29.6	177.9	-64.8	-16.3	0	0	0	113	K572 E573 L574	K572-N576 PolarHBondContact O-N 3.03Å; K572-N576 VanDerWaalsContact O-N 3.07Å; K572-N576 PolarHBondContact O-OD1 3.16Å; E573-N576 WeakPolarHBondContact O-CB 3.43Å; E573-N576 PolarHBondContact O-N 3.2Å; L574-N576 VanDerWaalsContact C-N 3.27Å; L574-N576 PolarHBondContact O-N 3.23Å
577	H	79.8	Confident	83.6	Confident	82 Å²	82	62.3 Å²	62.3	38%	0.38	30%	0.302	S	S	.	.	H	α-helix	trans	-89.3	-13.6	-179.6	-67	-79.2	0	0	0	114.2	E573 L574 T575	E573-H577 PolarHBondContact O-CD2 3.47Å; E573-H577 VanDerWaalsContact O-CD2 3.3Å; L574-H577 PolarHBondContact O-N 3.23Å; L574-H577 VanDerWaalsContact O-N 3.1Å; T575-H577 PolarHBondContact O-N 3.22Å
578	I	82.6	Confident	84.2	Confident	26 Å²	26	60.8 Å²	60.8	13%	0.133	30%	0.296	C	S	.	.	H	α-helix	trans	-118.8	-23.2	-176	66.2	-176.2	0	0	0	114.4	L39 V415 H438 L574 T575 V580	L39-I578 HydrophobicContact CD1-CD1 3.73Å; L39-I578 HydrophobicContact CD1-CG1 4.17Å; L39-I578 HydrophobicContact CG-CD1 4.15Å; V415-I578 HydrophobicContact CG1-CG2 3.77Å; H438-I578 HydrophobicContact CB-CB 4.23Å; H438-I578 HydrophobicContact CB-CG2 3.64Å; L574-I578 HydrophobicContact CD1-CD1 4.41Å; L574-I578 HydrophobicContact CD1-CG2 4.28Å; L574-I578 HydrophobicContact CG-CD1 4.06Å; L574-I578 WeakPolarHBondContact O-CG1 3.46Å; L574-I578 PolarHBondContact O-N 3.32Å; T575-I578 PolarHBondContact O-N 3.45Å; I578-V580 PolarHBondContact O-N 3.4Å; I578-V580 VanDerWaalsContact O-N 3.12Å
579	N	82.6	Confident	84.9	Confident	62 Å²	62	54.7 Å²	54.7	33%	0.332	27%	0.266	S	S	.	.	S	Bend	trans	-86.4	65.5	170.2	-80.3	8.1	0	0	0	110.6	T575	T575-N579 HydrophobicContact CG2-CB 4.03Å; T575-N579 VanDerWaalsContact CG2-ND2 3.35Å; T575-N579 WeakPolarHBondContact CG2-ND2 3.3Å; T575-N579 WeakPolarHBondContact O-CB 3.07Å; T575-N579 PolarHBondContact O-N 3.26Å
580	V	84.4	Confident	85.3	Confident	22 Å²	22	49.4 Å²	49.4	13%	0.133	25%	0.249	C	C	.	.			trans	-61.5	137	-179.5	179.3	0	0	0	0	111.4	H438 I578 Q584 H585 G956 C957	H438-V580 WeakPolarHBondContact CE1-CG2 3.26Å; I578-V580 PolarHBondContact O-N 3.4Å; I578-V580 VanDerWaalsContact O-N 3.12Å; V580-Q584 HydrophobicContact CG1-CB 3.32Å; V580-Q584 HydrophobicContact CG1-CG 4.49Å; V580-H585 HydrophobicContact CG1-CB 3.98Å; V580-G956 CarbonylContact O-C 3.57Å; V580-G956 WeakPolarHBondContact O-CA 3.49Å; V580-C957 PolarHBondContact O-SG 3.35Å; V580-C957 VanDerWaalsContact O-SG 3.34Å
581	S	87.7	Confident	85.8	Confident	40 Å²	40	54 Å²	54	28%	0.28	27%	0.269	S	S	.	.			trans	-68.4	163.3	-179.9	83.2	0	0	0	0	112.4	E583 Q584 H585 C957	S581-E583 VanDerWaalsContact C-N 3.34Å; S581-E583 PolarHBondContact O-N 2.7Å; S581-Q584 PolarHBondContact O-N 3.22Å; S581-Q584 VanDerWaalsContact OG-CG 3.32Å; S581-Q584 WeakPolarHBondContact OG-CG 3.22Å; S581-Q584 PolarHBondContact OG-N 3.44Å; S581-Q584 VanDerWaalsContact OG-N 3.13Å; S581-Q584 PolarHBondContact OG-OE1 3.22Å; S581-H585 VanDerWaalsContact O-CB 3.3Å; S581-H585 WeakPolarHBondContact O-CB 3.24Å; S581-H585 PolarHBondContact O-N 2.7Å; S581-C957 PolarHBondContact O-SG 2.76Å
582	S	86.6	Confident	86.2	Confident	6 Å²	6	52.9 Å²	52.9	4%	0.042	26%	0.263	C	S	.	.	H	α-helix	trans	-51.8	-51.9	175.3	-70.6	0	0	0	0	112.1	H585 T586 F925 G926	S582-H585 PolarHBondContact O-N 3.04Å; S582-T586 WeakPolarHBondContact O-CG2 3.44Å; S582-T586 PolarHBondContact O-N 3.48Å; S582-T586 PolarHBondContact O-OG1 3.24Å; S582-F925 WeakPolarHBondContact CB-O 3.25Å; S582-G926 PolarHBondContact OG-O 3.07Å
583	E	87.3	Confident	86.4	Confident	112 Å²	112	46.7 Å²	46.7	52%	0.523	24%	0.237	S	C	.	.	H	α-helix	trans	-57.3	-55.5	174.6	-178.1	-174.4	-164.4	0	0	112.4	S581 H585 T586 N587 F925	S581-E583 VanDerWaalsContact C-N 3.34Å; S581-E583 PolarHBondContact O-N 2.7Å; E583-H585 VanDerWaalsContact C-N 3.29Å; E583-H585 PolarHBondContact O-N 2.71Å; E583-T586 PolarHBondContact O-N 3.27Å; E583-T586 VanDerWaalsContact O-N 3.15Å; E583-T586 PolarHBondContact O-OG1 3.11Å; E583-N587 PolarHBondContact O-N 2.72Å; E583-F925 PolarHBondContact N-O 3.24Å
584	Q	88.9	Confident	86.9	Confident	106 Å²	106	50.6 Å²	50.6	50%	0.495	25%	0.253	S	S	.	.	H	α-helix	trans	-57.6	-41.4	-178.2	-70.3	170.3	-31.4	0	0	111.9	V580 S581 N587 S588	V580-Q584 HydrophobicContact CG1-CB 3.32Å; V580-Q584 HydrophobicContact CG1-CG 4.49Å; S581-Q584 PolarHBondContact O-N 3.22Å; S581-Q584 VanDerWaalsContact OG-CG 3.32Å; S581-Q584 WeakPolarHBondContact OG-CG 3.22Å; S581-Q584 PolarHBondContact OG-N 3.44Å; S581-Q584 VanDerWaalsContact OG-N 3.13Å; S581-Q584 PolarHBondContact OG-OE1 3.22Å; Q584-N587 PolarHBondContact O-N 3.47Å; Q584-S588 PolarHBondContact O-N 2.86Å; Q584-S588 PolarHBondContact O-OG 3.3Å; Q584-S588 VanDerWaalsContact O-OG 3.14Å
585	H	88.4	Confident	87.2	Confident	11 Å²	11	53.8 Å²	53.8	5%	0.051	27%	0.27	C	S	.	.	H	α-helix	trans	-67.4	-40.5	179.2	-174.1	-56.9	0	0	0	111.8	V436 V580 S581 S582 E583 N587 S588 I589 Y918 C957	V436-H585 PolarHBondContact N-NE2 3.05Å; V580-H585 HydrophobicContact CG1-CB 3.98Å; S581-H585 VanDerWaalsContact O-CB 3.3Å; S581-H585 WeakPolarHBondContact O-CB 3.24Å; S581-H585 PolarHBondContact O-N 2.7Å; S582-H585 PolarHBondContact O-N 3.04Å; E583-H585 VanDerWaalsContact C-N 3.29Å; E583-H585 PolarHBondContact O-N 2.71Å; H585-N587 VanDerWaalsContact C-N 3.33Å; H585-S588 PolarHBondContact O-N 3.43Å; H585-I589 WeakPolarHBondContact O-CG1 3.44Å; H585-I589 PolarHBondContact O-N 2.87Å; H585-Y918 PolarHBondContact CE1-OH 3.31Å; H585-Y918 PolarHBondContact ND1-OH 2.76Å; H585-C957 WeakPolarHBondContact CB-SG 3.23Å; H585-C957 VanDerWaalsContact CD2-SG 3.58Å
586	T	87.8	Confident	87.6	Confident	1 Å²	1	53 Å²	53	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-67.6	-33.3	173.5	58.7	0	0	0	0	112.3	S582 E583 I589 K590 I617 Y918 F925	S582-T586 WeakPolarHBondContact O-CG2 3.44Å; S582-T586 PolarHBondContact O-N 3.48Å; S582-T586 PolarHBondContact O-OG1 3.24Å; E583-T586 PolarHBondContact O-N 3.27Å; E583-T586 VanDerWaalsContact O-N 3.15Å; E583-T586 PolarHBondContact O-OG1 3.11Å; T586-I589 WeakPolarHBondContact O-CB 3.47Å; T586-I589 PolarHBondContact O-N 3.29Å; T586-K590 WeakPolarHBondContact O-CG 3.2Å; T586-K590 PolarHBondContact O-N 3.12Å; T586-I617 HydrophobicContact CG2-CD1 4.33Å; T586-Y918 HydrophobicContact CG2-CD1 4.04Å; T586-Y918 HydrophobicContact CG2-CD2 4.3Å; T586-Y918 HydrophobicContact CG2-CE1 4.04Å; T586-Y918 HydrophobicContact CG2-CE2 4.31Å; T586-Y918 HydrophobicContact CG2-CG 4.16Å; T586-F925 HydrophobicContact CG2-CB 4.15Å; T586-F925 HydrophobicContact CG2-CD1 4.13Å; T586-F925 HydrophobicContact CG2-CD2 3.9Å; T586-F925 HydrophobicContact CG2-CE2 4.28Å; T586-F925 HydrophobicContact CG2-CG 3.8Å; T586-F925 WeakPolarHBondContact OG1-CD2 3.38Å
587	N	90.1	Very high	87.8	Confident	73 Å²	73	51.9 Å²	51.9	39%	0.39	27%	0.265	S	S	.	.	H	α-helix	trans	-68.9	-41	174.3	-72.8	-20.3	0	0	0	112	E583 Q584 H585 I589 K590 Q591	E583-N587 PolarHBondContact O-N 2.72Å; Q584-N587 PolarHBondContact O-N 3.47Å; H585-N587 VanDerWaalsContact C-N 3.33Å; N587-I589 VanDerWaalsContact C-N 3.3Å; N587-I589 PolarHBondContact O-N 2.92Å; N587-K590 PolarHBondContact O-N 2.8Å; N587-Q591 WeakPolarHBondContact O-CB 3.25Å; N587-Q591 PolarHBondContact O-N 2.84Å
588	S	90.6	Very high	88.4	Confident	29 Å²	29	52 Å²	52	20%	0.203	28%	0.275	C	S	.	.	H	α-helix	trans	-60.4	-38	170.2	-56.6	0	0	0	0	112.3	Y419 Q584 H585 Q591 L592	Y419-S588 PolarHBondContact OH-O 2.81Å; Q584-S588 PolarHBondContact O-N 2.86Å; Q584-S588 PolarHBondContact O-OG 3.3Å; Q584-S588 VanDerWaalsContact O-OG 3.14Å; H585-S588 PolarHBondContact O-N 3.43Å; S588-Q591 PolarHBondContact O-N 2.97Å; S588-L592 PolarHBondContact O-N 3.3Å
589	I	89.5	Confident	89	Confident	7 Å²	7	52.8 Å²	52.8	4%	0.036	28%	0.279	C	S	.	.	H	α-helix	trans	-63.2	-47.8	172.9	-78.3	172.2	0	0	0	111.6	V289 V434 V436 H585 T586 N587 Q591 L592 L593 I617	V289-I589 HydrophobicContact CG2-CD1 4.13Å; V289-I589 HydrophobicContact CG2-CG1 4.41Å; V289-I589 HydrophobicContact CG2-CG2 3.44Å; V289-I589 VanDerWaalsContact CG2-CG2 3.44Å; V434-I589 HydrophobicContact CG1-CG1 4Å; V436-I589 HydrophobicContact CG2-CG1 4.19Å; H585-I589 WeakPolarHBondContact O-CG1 3.44Å; H585-I589 PolarHBondContact O-N 2.87Å; T586-I589 WeakPolarHBondContact O-CB 3.47Å; T586-I589 PolarHBondContact O-N 3.29Å; N587-I589 VanDerWaalsContact C-N 3.3Å; N587-I589 PolarHBondContact O-N 2.92Å; I589-Q591 VanDerWaalsContact C-N 3.27Å; I589-Q591 PolarHBondContact O-N 3.01Å; I589-L592 PolarHBondContact O-N 2.85Å; I589-L593 HydrophobicContact CG2-CD1 4.27Å; I589-L593 PolarHBondContact O-N 3.32Å; I589-I617 HydrophobicContact CG2-CD1 3.97Å; I589-I617 HydrophobicContact CG2-CG1 4.14Å; I589-I617 HydrophobicContact CG2-CG2 4.32Å
590	K	88.6	Confident	89.5	Confident	90 Å²	90	54.5 Å²	54.5	39%	0.391	29%	0.294	S	S	.	.	H	α-helix	trans	-59.5	-39.2	176	-73.3	176.6	176.7	-177.2	0	111.6	T586 N587 L593 K594 I617	T586-K590 WeakPolarHBondContact O-CG 3.2Å; T586-K590 PolarHBondContact O-N 3.12Å; N587-K590 PolarHBondContact O-N 2.8Å; K590-L593 PolarHBondContact O-N 2.8Å; K590-K594 WeakPolarHBondContact O-CB 3.21Å; K590-K594 PolarHBondContact O-N 3.08Å; K590-I617 HydrophobicContact CG-CD1 4.15Å; K590-I617 HydrophobicContact CG-CG1 4.4Å
591	Q	91.1	Very high	89.9	Confident	107 Å²	107	58 Å²	58	50%	0.5	31%	0.309	S	S	.	.	H	α-helix	trans	-64.5	-43.9	175.7	-171.1	179.1	4.3	0	0	111.9	N587 S588 I589 L593 K594 N595	N587-Q591 WeakPolarHBondContact O-CB 3.25Å; N587-Q591 PolarHBondContact O-N 2.84Å; S588-Q591 PolarHBondContact O-N 2.97Å; I589-Q591 VanDerWaalsContact C-N 3.27Å; I589-Q591 PolarHBondContact O-N 3.01Å; Q591-L593 PolarHBondContact O-N 2.82Å; Q591-K594 PolarHBondContact O-N 2.53Å; Q591-N595 WeakPolarHBondContact O-CB 3.43Å; Q591-N595 PolarHBondContact O-N 3.44Å; Q591-N595 PolarHBondContact O-OD1 3.13Å
592	L	90.8	Very high	90	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	-59.4	-46.4	173.8	179	66.4	0	0	0	111.7	M387 I390 L392 Y419 V434 S588 I589 N595 I596	M387-L592 HydrophobicContact CE-CD1 4.29Å; M387-L592 HydrophobicContact CE-CD2 4.28Å; M387-L592 HydrophobicContact SD-CD1 4.09Å; I390-L592 HydrophobicContact CD1-CD1 3.59Å; L392-L592 HydrophobicContact CD1-CD1 4.23Å; Y419-L592 HydrophobicContact CD1-CB 4.43Å; Y419-L592 HydrophobicContact CD1-CD2 3.78Å; Y419-L592 HydrophobicContact CD2-CD1 3.91Å; Y419-L592 HydrophobicContact CD2-CD2 4.12Å; Y419-L592 HydrophobicContact CD2-CG 4.46Å; Y419-L592 HydrophobicContact CE1-CB 3.94Å; Y419-L592 HydrophobicContact CE1-CD2 4.15Å; Y419-L592 HydrophobicContact CE2-CB 4.27Å; Y419-L592 HydrophobicContact CE2-CD1 3.91Å; Y419-L592 HydrophobicContact CE2-CD2 4.5Å; Y419-L592 HydrophobicContact CE2-CG 4.44Å; Y419-L592 HydrophobicContact CG-CD1 4.41Å; Y419-L592 HydrophobicContact CG-CD2 3.76Å; V434-L592 HydrophobicContact CG1-CD2 3.68Å; V434-L592 HydrophobicContact CG2-CD2 4.38Å; S588-L592 PolarHBondContact O-N 3.3Å; I589-L592 PolarHBondContact O-N 2.85Å; L592-N595 PolarHBondContact O-N 2.84Å; L592-I596 HydrophobicContact CD1-CD1 4.08Å; L592-I596 HydrophobicContact CD1-CG1 4.46Å; L592-I596 HydrophobicContact CG-CD1 3.96Å; L592-I596 VanDerWaalsContact O-CG1 3.32Å; L592-I596 WeakPolarHBondContact O-CG1 3.45Å; L592-I596 PolarHBondContact O-N 3.18Å; L592-I596 VanDerWaalsContact O-N 3.07Å
593	L	88	Confident	90.1	Very high	12 Å²	12	59 Å²	59	6%	0.063	31%	0.312	C	S	.	.	H	α-helix	trans	-61.2	-46.4	178.2	-71.5	174.7	0	0	0	111.5	V289 I589 K590 Q591 N595 I596 S597 I613 S615	V289-L593 HydrophobicContact CG1-CD1 3.99Å; V289-L593 HydrophobicContact CG1-CD2 3.72Å; V289-L593 HydrophobicContact CG1-CG 4.18Å; I589-L593 HydrophobicContact CG2-CD1 4.27Å; I589-L593 PolarHBondContact O-N 3.32Å; K590-L593 PolarHBondContact O-N 2.8Å; Q591-L593 PolarHBondContact O-N 2.82Å; L593-N595 VanDerWaalsContact C-N 3.34Å; L593-N595 PolarHBondContact O-N 2.73Å; L593-I596 PolarHBondContact O-N 3.16Å; L593-S597 PolarHBondContact O-N 2.65Å; L593-S597 PolarHBondContact O-OG 2.78Å; L593-I613 HydrophobicContact CD2-CG2 3.71Å; L593-S615 WeakPolarHBondContact CD1-O 3.34Å
594	K	91	Very high	90.1	Very high	147 Å²	147	59.2 Å²	59.2	64%	0.639	31%	0.312	S	S	*	.	H	α-helix	trans	-57.4	-43.8	174.6	-174.7	177	179.8	179.3	0	112.1	K590 Q591 I596 S597 S598	K590-K594 WeakPolarHBondContact O-CB 3.21Å; K590-K594 PolarHBondContact O-N 3.08Å; Q591-K594 PolarHBondContact O-N 2.53Å; K594-I596 VanDerWaalsContact C-N 3.31Å; K594-I596 PolarHBondContact O-N 3.05Å; K594-S597 PolarHBondContact O-N 2.87Å; K594-S597 PolarHBondContact O-OG 3.29Å; K594-S597 VanDerWaalsContact O-OG 3.13Å; K594-S598 VanDerWaalsContact O-CB 3.32Å; K594-S598 WeakPolarHBondContact O-CB 3.19Å; K594-S598 PolarHBondContact O-N 3.05Å; K594-S598 PolarHBondContact O-OG 2.73Å
595	N	91.3	Very high	89.9	Confident	68 Å²	68	54.9 Å²	54.9	36%	0.364	29%	0.291	S	S	.	.	H	α-helix	trans	-67.4	-30	179.8	-70.2	3.2	0	0	0	112.9	I390 Q591 L592 L593 N599	I390-N595 WeakPolarHBondContact CG2-O 3.38Å; Q591-N595 WeakPolarHBondContact O-CB 3.43Å; Q591-N595 PolarHBondContact O-N 3.44Å; Q591-N595 PolarHBondContact O-OD1 3.13Å; L592-N595 PolarHBondContact O-N 2.84Å; L593-N595 VanDerWaalsContact C-N 3.34Å; L593-N595 PolarHBondContact O-N 2.73Å; N595-N599 WeakPolarHBondContact O-CB 3.36Å
596	I	89.6	Confident	89.5	Confident	6 Å²	6	54.7 Å²	54.7	3%	0.031	29%	0.291	C	S	.	.	H	α-helix	trans	-76.7	-37.2	175.7	-65	166	0	0	0	111.3	V386 M387 I390 L592 L593 K594 S602 L606 I613	V386-I596 HydrophobicContact CG1-CD1 4.28Å; V386-I596 HydrophobicContact CG1-CG1 4.03Å; V386-I596 HydrophobicContact CG1-CG2 3.77Å; M387-I596 HydrophobicContact CE-CD1 3.72Å; I390-I596 HydrophobicContact CD1-CG1 3.87Å; I390-I596 HydrophobicContact CG2-CG1 4.33Å; L592-I596 HydrophobicContact CD1-CD1 4.08Å; L592-I596 HydrophobicContact CD1-CG1 4.46Å; L592-I596 HydrophobicContact CG-CD1 3.96Å; L592-I596 VanDerWaalsContact O-CG1 3.32Å; L592-I596 WeakPolarHBondContact O-CG1 3.45Å; L592-I596 PolarHBondContact O-N 3.18Å; L592-I596 VanDerWaalsContact O-N 3.07Å; L593-I596 PolarHBondContact O-N 3.16Å; K594-I596 VanDerWaalsContact C-N 3.31Å; K594-I596 PolarHBondContact O-N 3.05Å; I596-S602 PolarHBondContact O-OG 3.39Å; I596-L606 HydrophobicContact CG2-CD1 3.84Å; I596-I613 HydrophobicContact CG2-CD1 3.69Å
597	S	88.3	Confident	89.1	Confident	78 Å²	78	58.4 Å²	58.4	55%	0.545	32%	0.317	S	S	.	.	H	α-helix	trans	-80.7	-28.1	-179.4	62.2	0	0	0	0	114.1	L593 K594 V603	L593-S597 PolarHBondContact O-N 2.65Å; L593-S597 PolarHBondContact O-OG 2.78Å; K594-S597 PolarHBondContact O-N 2.87Å; K594-S597 PolarHBondContact O-OG 3.29Å; K594-S597 VanDerWaalsContact O-OG 3.13Å; S597-V603 WeakPolarHBondContact O-CG2 3.33Å
598	S	92.5	Very high	88.4	Confident	84 Å²	84	59.2 Å²	59.2	59%	0.587	31%	0.314	S	S	*	.	H	α-helix	trans	-80.9	-21.7	177.8	66.3	0	0	0	0	114	K594	K594-S598 VanDerWaalsContact O-CB 3.32Å; K594-S598 WeakPolarHBondContact O-CB 3.19Å; K594-S598 PolarHBondContact O-N 3.05Å; K594-S598 PolarHBondContact O-OG 2.73Å
599	N	93.8	Very high	87.6	Confident	42 Å²	42	58 Å²	58	23%	0.225	31%	0.305	C	S	.	.			trans	-88.8	116.7	179.1	175.7	-32.4	0	0	0	110.4	I389 I390 N595 E601 S602 V603	I389-N599 PolarHBondContact O-ND2 2.76Å; I390-N599 HydrophobicContact CG2-CB 4.23Å; N595-N599 WeakPolarHBondContact O-CB 3.36Å; N599-E601 VanDerWaalsContact C-N 3.35Å; N599-E601 PolarHBondContact O-N 3.19Å; N599-E601 PolarHBondContact OD1-N 3.06Å; N599-S602 VanDerWaalsContact CB-OG 3.28Å; N599-S602 WeakPolarHBondContact CB-OG 3.07Å; N599-S602 PolarHBondContact O-N 2.87Å; N599-S602 PolarHBondContact O-OG 2.83Å; N599-S602 PolarHBondContact OD1-N 3.47Å; N599-V603 PolarHBondContact O-N 3.26Å
600	P	93.4	Very high	86.7	Confident	98 Å²	98	59 Å²	59	64%	0.636	32%	0.317	S	S	*	.	H	α-helix	trans	-69	-29.9	-172.1	27.2	-34.9	0	0	0	113.1	K604	P600-K604 WeakPolarHBondContact O-CB 3.2Å; P600-K604 PolarHBondContact O-N 3.38Å
601	E	93.4	Very high	86.1	Confident	97 Å²	97	55.1 Å²	55.1	45%	0.453	30%	0.3	S	S	.	.	H	α-helix	trans	-74	-30.1	178.5	-74.3	-65.3	131.9	0	0	112	I389 N599 K604 E605	I389-E601 HydrophobicContact CG2-CB 3.78Å; N599-E601 VanDerWaalsContact C-N 3.35Å; N599-E601 PolarHBondContact O-N 3.19Å; N599-E601 PolarHBondContact OD1-N 3.06Å; E601-K604 WeakPolarHBondContact OE1-CD 3.1Å; E601-K604 IonicContact OE1-NZ 2.92Å; E601-K604 PolarHBondContact OE1-NZ 3.22Å; E601-K604 IonicContact OE2-NZ 3.11Å; E601-E605 WeakPolarHBondContact O-CB 3.11Å; E601-E605 PolarHBondContact O-N 3Å
602	S	89.8	Confident	85.3	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-72.4	-41.4	171.3	39.6	0	0	0	0	112.1	I596 N599 K604 E605 L606	I596-S602 PolarHBondContact O-OG 3.39Å; N599-S602 VanDerWaalsContact CB-OG 3.28Å; N599-S602 WeakPolarHBondContact CB-OG 3.07Å; N599-S602 PolarHBondContact O-N 2.87Å; N599-S602 PolarHBondContact O-OG 2.83Å; N599-S602 PolarHBondContact OD1-N 3.47Å; S602-K604 VanDerWaalsContact C-N 3.31Å; S602-K604 PolarHBondContact O-N 2.8Å; S602-E605 PolarHBondContact O-N 3.38Å; S602-L606 WeakPolarHBondContact O-CD1 3.44Å; S602-L606 VanDerWaalsContact O-CG 3.25Å; S602-L606 WeakPolarHBondContact O-CG 3.46Å; S602-L606 PolarHBondContact O-N 3.42Å
603	V	87.4	Confident	84.5	Confident	65 Å²	65	55.2 Å²	55.2	39%	0.394	30%	0.302	S	S	.	.	H	α-helix	trans	-60.4	-43	173.4	175.2	0	0	0	0	110.9	S597 N599 L606 S607	S597-V603 WeakPolarHBondContact O-CG2 3.33Å; N599-V603 PolarHBondContact O-N 3.26Å; V603-L606 WeakPolarHBondContact O-CB 3.39Å; V603-L606 PolarHBondContact O-N 3.22Å; V603-S607 PolarHBondContact O-N 3.48Å; V603-S607 PolarHBondContact O-OG 3.4Å
604	K	87.7	Confident	83.7	Confident	118 Å²	118	55 Å²	55	51%	0.513	30%	0.303	S	S	.	.	H	α-helix	trans	-65.9	-40.2	177.7	179	179.6	172	-173	0	113.6	P600 E601 S602 L606 S607 R608	P600-K604 WeakPolarHBondContact O-CB 3.2Å; P600-K604 PolarHBondContact O-N 3.38Å; E601-K604 WeakPolarHBondContact OE1-CD 3.1Å; E601-K604 IonicContact OE1-NZ 2.92Å; E601-K604 PolarHBondContact OE1-NZ 3.22Å; E601-K604 IonicContact OE2-NZ 3.11Å; S602-K604 VanDerWaalsContact C-N 3.31Å; S602-K604 PolarHBondContact O-N 2.8Å; K604-L606 VanDerWaalsContact C-N 3.31Å; K604-S607 PolarHBondContact O-OG 3.13Å; K604-R608 WeakPolarHBondContact O-CB 3.44Å; K604-R608 PolarHBondContact O-N 2.7Å; K604-R608 VanDerWaalsContact O-N 3.08Å
605	E	84.3	Confident	82.7	Confident	14 Å²	14	52.3 Å²	52.3	7%	0.065	30%	0.302	C	S	.	.	H	α-helix	trans	-69.8	-28.3	173.3	-178	65.6	-164.1	0	0	111.7	R385 I389 E601 S602 W609	R385-E605 WeakPolarHBondContact CD-OE1 3.33Å; R385-E605 HydrophobicContact CG-CG 4.41Å; R385-E605 VanDerWaalsContact CZ-CD 3.44Å; R385-E605 IonicContact CZ-OE1 3.16Å; R385-E605 IonicContact CZ-OE2 2.86Å; R385-E605 IonicContact NE-OE1 2.73Å; R385-E605 IonicContact NE-OE2 3.6Å; R385-E605 IonicContact NH1-OE1 2.73Å; R385-E605 PolarHBondContact NH1-OE1 3.33Å; R385-E605 IonicContact NH1-OE2 3.6Å; R385-E605 PolarHBondContact NH1-OE2 2.91Å; R385-E605 IonicContact NH2-OE2 2.7Å; I389-E605 HydrophobicContact CD1-CB 3.99Å; I389-E605 HydrophobicContact CD1-CG 4.3Å; E601-E605 WeakPolarHBondContact O-CB 3.11Å; E601-E605 PolarHBondContact O-N 3Å; S602-E605 PolarHBondContact O-N 3.38Å; E605-W609 PolarHBondContact OE1-NE1 2.96Å; E605-W609 VanDerWaalsContact OE1-NE1 3.1Å
606	L	81.1	Confident	81.8	Confident	8 Å²	8	54.4 Å²	54.4	4%	0.042	31%	0.313	C	S	.	.	H	α-helix	trans	-73.5	-52	174	-71.9	161.2	0	0	0	112.3	F383 V386 I596 S602 V603 K604 R608 W609 G610 L611 I613	F383-L606 HydrophobicContact CE1-CD2 4.33Å; F383-L606 HydrophobicContact CE2-CD2 3.79Å; F383-L606 HydrophobicContact CZ-CD2 3.53Å; V386-L606 HydrophobicContact CG2-CD1 4.29Å; V386-L606 HydrophobicContact CG2-CD2 3.96Å; V386-L606 HydrophobicContact CG2-CG 3.83Å; I596-L606 HydrophobicContact CG2-CD1 3.84Å; S602-L606 WeakPolarHBondContact O-CD1 3.44Å; S602-L606 VanDerWaalsContact O-CG 3.25Å; S602-L606 WeakPolarHBondContact O-CG 3.46Å; S602-L606 PolarHBondContact O-N 3.42Å; V603-L606 WeakPolarHBondContact O-CB 3.39Å; V603-L606 PolarHBondContact O-N 3.22Å; K604-L606 VanDerWaalsContact C-N 3.31Å; L606-R608 VanDerWaalsContact C-N 3.27Å; L606-R608 PolarHBondContact O-N 2.76Å; L606-W609 PolarHBondContact O-N 3.18Å; L606-G610 PolarHBondContact O-N 3.4Å; L606-L611 CarbonylContact C-O 3.4Å; L606-L611 HydrophobicContact CB-CB 4.37Å; L606-L611 HydrophobicContact CD2-CB 4.07Å; L606-L611 HydrophobicContact CD2-CD1 4.24Å; L606-L611 WeakPolarHBondContact O-CB 3.38Å; L606-L611 PolarHBondContact O-N 2.91Å; L606-I613 HydrophobicContact CD1-CD1 3.37Å; L606-I613 HydrophobicContact CD1-CG1 4Å; L606-I613 HydrophobicContact CD2-CD1 3.96Å; L606-I613 HydrophobicContact CD2-CG1 4.29Å; L606-I613 HydrophobicContact CG-CD1 4.33Å
607	S	79.4	Confident	81.2	Confident	78 Å²	78	54.7 Å²	54.7	55%	0.545	31%	0.314	S	S	.	.	H	α-helix	trans	-63.2	-34.5	-179	64.8	0	0	0	0	112.1	V603 K604 W609 G610	V603-S607 PolarHBondContact O-N 3.48Å; V603-S607 PolarHBondContact O-OG 3.4Å; K604-S607 PolarHBondContact O-OG 3.13Å; S607-W609 PolarHBondContact O-N 3.04Å; S607-W609 VanDerWaalsContact O-N 3.08Å; S607-G610 PolarHBondContact O-N 3.21Å
608	R	74.8	Confident	80.6	Confident	91 Å²	91	53.1 Å²	53.1	34%	0.343	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-30.9	169.4	179.2	177.8	-171.5	168	10.6	113.9	C327 K604 L606	C327-R608 HydrophobicContact CB-CG 4.42Å; C327-R608 WeakPolarHBondContact SG-CG 3.37Å; C327-R608 PolarHBondContact SG-NE 3.49Å; C327-R608 VanDerWaalsContact SG-NE 3.39Å; C327-R608 PolarHBondContact SG-O 3.04Å; K604-R608 WeakPolarHBondContact O-CB 3.44Å; K604-R608 PolarHBondContact O-N 2.7Å; K604-R608 VanDerWaalsContact O-N 3.08Å; L606-R608 VanDerWaalsContact C-N 3.27Å; L606-R608 PolarHBondContact O-N 2.76Å
609	W	73.6	Confident	80	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.015	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	9.5	-178.4	-73.2	117.8	0	0	0	113.6	C327 L328 A329 L338 F378 V382 E605 L606 S607 L611	C327-W609 HydrophobicContact CB-CE3 4.16Å; C327-W609 HydrophobicContact CB-CH2 3.86Å; C327-W609 HydrophobicContact CB-CZ2 4.31Å; C327-W609 HydrophobicContact CB-CZ3 3.79Å; L328-W609 VanDerWaalsContact C-CH2 3.43Å; A329-W609 HydrophobicContact CB-CH2 3.55Å; A329-W609 HydrophobicContact CB-CZ2 3.55Å; L338-W609 HydrophobicContact CB-CE3 4.03Å; L338-W609 HydrophobicContact CB-CZ3 3.8Å; L338-W609 HydrophobicContact CD2-CE3 4.36Å; F378-W609 HydrophobicContact CE2-CD2 4.13Å; F378-W609 HydrophobicContact CE2-CE3 4.05Å; F378-W609 HydrophobicContact CE2-CH2 4.19Å; F378-W609 HydrophobicContact CE2-CZ2 4.3Å; F378-W609 HydrophobicContact CE2-CZ3 4.06Å; F378-W609 AromaticContact CZ-CD2 3.68Å; F378-W609 HydrophobicContact CZ-CD2 3.68Å; F378-W609 AromaticContact CZ-CE3 3.52Å; F378-W609 HydrophobicContact CZ-CE3 3.52Å; F378-W609 HydrophobicContact CZ-CG 4.13Å; F378-W609 HydrophobicContact CZ-CH2 4.46Å; F378-W609 AromaticContact CZ-CZ3 3.92Å; F378-W609 HydrophobicContact CZ-CZ3 3.92Å; V382-W609 HydrophobicContact CG1-CG 4.43Å; V382-W609 HydrophobicContact CG2-CG 4.13Å; E605-W609 PolarHBondContact OE1-NE1 2.96Å; E605-W609 VanDerWaalsContact OE1-NE1 3.1Å; L606-W609 PolarHBondContact O-N 3.18Å; S607-W609 PolarHBondContact O-N 3.04Å; S607-W609 VanDerWaalsContact O-N 3.08Å; W609-L611 HydrophobicContact CB-CD1 3.77Å; W609-L611 HydrophobicContact CB-CD2 4.37Å; W609-L611 HydrophobicContact CB-CG 3.61Å; W609-L611 WeakPolarHBondContact O-CD2 3.02Å; W609-L611 PolarHBondContact O-N 3.18Å
610	G	70.1	Confident	79.4	Confident	27 Å²	27	51.3 Å²	51.3	28%	0.278	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	26.5	-172.7	0	0	0	0	0	112.9	L606 S607	L606-G610 PolarHBondContact O-N 3.4Å; S607-G610 PolarHBondContact O-N 3.21Å
611	L	76.3	Confident	79	Confident	8 Å²	8	52.1 Å²	52.1	4%	0.042	28%	0.278	C	S	.	.			trans	-104.3	133.1	-177.2	-45.9	179.8	0	0	0	110.4	L293 L295 Y379 V382 F383 L606 W609	L293-L611 HydrophobicContact CD1-CD2 4.31Å; L293-L611 HydrophobicContact CD2-CB 3.73Å; L293-L611 HydrophobicContact CD2-CD2 3.65Å; L293-L611 HydrophobicContact CD2-CG 4.18Å; L295-L611 HydrophobicContact CD1-CD2 4.39Å; L295-L611 HydrophobicContact CD2-CD2 3.62Å; L295-L611 HydrophobicContact CG-CD2 4.18Å; Y379-L611 HydrophobicContact CD1-CD2 4.11Å; Y379-L611 HydrophobicContact CE1-CD2 4.03Å; V382-L611 HydrophobicContact CB-CD1 4.18Å; V382-L611 HydrophobicContact CG1-CD1 3.78Å; V382-L611 HydrophobicContact CG2-CD1 4.42Å; F383-L611 HydrophobicContact CE2-CD1 4.23Å; L606-L611 CarbonylContact C-O 3.4Å; L606-L611 HydrophobicContact CB-CB 4.37Å; L606-L611 HydrophobicContact CD2-CB 4.07Å; L606-L611 HydrophobicContact CD2-CD1 4.24Å; L606-L611 WeakPolarHBondContact O-CB 3.38Å; L606-L611 PolarHBondContact O-N 2.91Å; W609-L611 HydrophobicContact CB-CD1 3.77Å; W609-L611 HydrophobicContact CB-CD2 4.37Å; W609-L611 HydrophobicContact CB-CG 3.61Å; W609-L611 WeakPolarHBondContact O-CD2 3.02Å; W609-L611 PolarHBondContact O-N 3.18Å
612	E	74.1	Confident	78.7	Confident	84 Å²	84	47.6 Å²	47.6	39%	0.393	26%	0.258	S	S	.	.			trans	-115.3	160.1	168.7	-147	-156.9	133.1	0	0	109.7	K291	K291-E612 WeakPolarHBondContact CE-OE1 3.46Å; K291-E612 IonicContact NZ-OE1 2.65Å; K291-E612 PolarHBondContact NZ-OE1 2.99Å; K291-E612 IonicContact NZ-OE2 2.7Å
613	I	75.6	Confident	78.8	Confident	31 Å²	31	48.8 Å²	48.8	16%	0.159	26%	0.262	C	S	.	.			trans	-132.3	142.3	171.3	-52.4	172.3	0	0	0	107.4	K290 F383 L593 I596 L606	K290-I613 HydrophobicContact CG-CG2 4.43Å; F383-I613 HydrophobicContact CE1-CD1 3.49Å; F383-I613 VanDerWaalsContact CE1-CD1 3.49Å; F383-I613 HydrophobicContact CE1-CG1 4.16Å; F383-I613 HydrophobicContact CZ-CD1 3.56Å; F383-I613 HydrophobicContact CZ-CG1 3.82Å; L593-I613 HydrophobicContact CD2-CG2 3.71Å; I596-I613 HydrophobicContact CG2-CD1 3.69Å; L606-I613 HydrophobicContact CD1-CD1 3.37Å; L606-I613 HydrophobicContact CD1-CG1 4Å; L606-I613 HydrophobicContact CD2-CD1 3.96Å; L606-I613 HydrophobicContact CD2-CG1 4.29Å; L606-I613 HydrophobicContact CG-CD1 4.33Å
614	G	70.1	Confident	79	Confident	8 Å²	8	47.3 Å²	47.3	8%	0.082	25%	0.253	C	S	.	.			trans	-74.8	145.9	174.2	0	0	0	0	0	112.1	K291 D616	K291-G614 VanDerWaalsContact CB-CA 3.49Å; K291-G614 VanDerWaalsContact CB-N 3.28Å; G614-D616 PolarHBondContact O-N 3.49Å
615	S	70.2	Confident	79.3	Confident	89 Å²	89	41.8 Å²	41.8	62%	0.622	23%	0.229	S	C	*	.	S	Bend	trans	-54.2	-39.4	160.6	38	0	0	0	0	112.1	L593	L593-S615 WeakPolarHBondContact CD1-O 3.34Å
616	D	73.5	Confident	79.6	Confident	112 Å²	112	43.7 Å²	43.7	60%	0.599	24%	0.243	S	C	*	.	S	Bend	trans	-108.3	155.8	-164.4	-61	-77	0	0	0	113.7	G614	G614-D616 PolarHBondContact O-N 3.49Å
617	I	77.1	Confident	80	Confident	12 Å²	12	46.7 Å²	46.7	6%	0.062	26%	0.259	C	S	.	.			trans	-79.2	135.4	174.9	-25.6	179.7	0	0	0	107.9	F287 V289 T586 I589 K590 I619 F925	F287-I617 HydrophobicContact CB-CG2 3.69Å; F287-I617 HydrophobicContact CD1-CB 3.38Å; F287-I617 HydrophobicContact CD1-CG2 3.34Å; F287-I617 HydrophobicContact CE1-CB 3.75Å; F287-I617 HydrophobicContact CE1-CG2 4.21Å; F287-I617 WeakPolarHBondContact CE1-O 3.45Å; F287-I617 HydrophobicContact CG-CB 4.29Å; F287-I617 HydrophobicContact CG-CG2 3.85Å; V289-I617 HydrophobicContact CG2-CG2 3.98Å; T586-I617 HydrophobicContact CG2-CD1 4.33Å; I589-I617 HydrophobicContact CG2-CD1 3.97Å; I589-I617 HydrophobicContact CG2-CG1 4.14Å; I589-I617 HydrophobicContact CG2-CG2 4.32Å; K590-I617 HydrophobicContact CG-CD1 4.15Å; K590-I617 HydrophobicContact CG-CG1 4.4Å; I617-I619 PolarHBondContact O-N 3.32Å; I617-F925 HydrophobicContact CD1-CZ 4.31Å
618	L	75.4	Confident	80.7	Confident	45 Å²	45	43.5 Å²	43.5	24%	0.236	24%	0.235	C	C	.	.			trans	-68.6	114.3	-176.4	173.4	70.8	0	0	0	111.5	F287 E288 Y431 I620 T937 L938	F287-L618 WeakPolarHBondContact CA-O 3.45Å; F287-L618 VanDerWaalsContact CD1-C 3.43Å; F287-L618 WeakPolarHBondContact CD1-O 3.17Å; E288-L618 WeakPolarHBondContact O-CB 3.38Å; Y431-L618 HydrophobicContact CD1-CD2 3.96Å; Y431-L618 HydrophobicContact CE1-CD2 3.46Å; Y431-L618 VanDerWaalsContact CE1-CD2 3.46Å; L618-I620 HydrophobicContact CD2-CD1 3.94Å; L618-I620 HydrophobicContact CD2-CG1 4.09Å; L618-I620 HydrophobicContact CG-CD1 4.32Å; L618-I620 HydrophobicContact CG-CG1 3.96Å; L618-T937 HydrophobicContact CD2-CG2 4.42Å; L618-L938 HydrophobicContact CD2-CD2 4.41Å
619	I	79.3	Confident	81.6	Confident	77 Å²	77	42 Å²	42	40%	0.395	24%	0.236	S	C	.	.			trans	-86.2	139.7	170.9	-18.1	-179	0	0	0	110.9	P284 F287 I617	P284-I619 HydrophobicContact CB-CB 4.18Å; P284-I619 HydrophobicContact CB-CG2 3.53Å; P284-I619 HydrophobicContact CG-CB 4.48Å; P284-I619 HydrophobicContact CG-CD1 4.49Å; P284-I619 HydrophobicContact CG-CG2 3.87Å; P284-I619 WeakPolarHBondContact O-CG2 3.34Å; F287-I619 HydrophobicContact CE1-CB 4.05Å; F287-I619 HydrophobicContact CE1-CG1 3.79Å; F287-I619 HydrophobicContact CE1-CG2 4.01Å; F287-I619 HydrophobicContact CE2-CG2 4.2Å; F287-I619 HydrophobicContact CZ-CB 4.12Å; F287-I619 HydrophobicContact CZ-CG1 4.01Å; F287-I619 HydrophobicContact CZ-CG2 3.57Å; I617-I619 PolarHBondContact O-N 3.32Å
620	I	80.4	Confident	82.8	Confident	12 Å²	12	41.9 Å²	41.9	6%	0.062	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-126.5	173.7	-178.9	-45.1	176.1	0	0	0	108.8	P284 S285 L618 L934 T937 L938	P284-I620 CarbonylContact C-O 3.56Å; P284-I620 VanDerWaalsContact C-O 3.25Å; P284-I620 WeakPolarHBondContact CA-O 3.39Å; P284-I620 WeakPolarHBondContact CB-O 3.48Å; S285-I620 PolarHBondContact N-O 2.98Å; S285-I620 CarbonylContact O-C 3.57Å; S285-I620 VanDerWaalsContact O-C 3.27Å; S285-I620 WeakPolarHBondContact O-CA 3.29Å; S285-I620 PolarHBondContact O-N 3.36Å; S285-I620 VanDerWaalsContact O-N 3.12Å; L618-I620 HydrophobicContact CD2-CD1 3.94Å; L618-I620 HydrophobicContact CD2-CG1 4.09Å; L618-I620 HydrophobicContact CG-CD1 4.32Å; L618-I620 HydrophobicContact CG-CG1 3.96Å; I620-L934 HydrophobicContact CD1-CD2 4.46Å; I620-L934 HydrophobicContact CG2-CD1 3.97Å; I620-T937 HydrophobicContact CD1-CG2 3.91Å; I620-T937 HydrophobicContact CG1-CG2 4.45Å; I620-T937 HydrophobicContact CG2-CG2 4.4Å; I620-L938 HydrophobicContact CD1-CD1 3.67Å; I620-L938 HydrophobicContact CD1-CD2 3.97Å; I620-L938 HydrophobicContact CD1-CG 3.53Å
621	Q	85.3	Confident	84	Confident	114 Å²	114	41.8 Å²	41.8	53%	0.533	23%	0.23	S	C	.	.			trans	-99.5	159.8	164.2	-162.1	171.7	13.8	0	0	110.1	L934 H936	Q621-L934 WeakPolarHBondContact O-CD1 3.1Å; Q621-H936 PolarHBondContact O-NE2 3.49Å
622	G	88.3	Confident	84.9	Confident	3 Å²	3	42 Å²	42	3%	0.031	23%	0.231	C	C	.	.			trans	-166.6	-175.2	164.6	0	0	0	0	0	110.4	I281	I281-G622 PolarHBondContact N-O 2.99Å
623	R	90.4	Very high	85.8	Confident	25 Å²	25	43.3 Å²	43.3	9%	0.094	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	145.6	-166.3	-65	171.7	-68.1	106.7	3.1	111.5	G275 K277 A279 T932 V933 D935 D975	G275-R623 VanDerWaalsContact C-CZ 3.49Å; G275-R623 VanDerWaalsContact O-CZ 3.25Å; G275-R623 PolarHBondContact O-NE 2.96Å; K277-R623 PolarHBondContact O-NH1 3.36Å; A279-R623 CarbonylContact O-C 3.46Å; A279-R623 VanDerWaalsContact O-CA 3.25Å; A279-R623 WeakPolarHBondContact O-CA 3.5Å; R623-T932 CarbonylContact O-C 3.6Å; R623-T932 WeakPolarHBondContact O-CA 3.38Å; R623-V933 PolarHBondContact N-O 2.86Å; R623-V933 VanDerWaalsContact N-O 3.14Å; R623-V933 PolarHBondContact O-N 3.06Å; R623-D935 IonicContact CZ-OD2 3.51Å; R623-D935 VanDerWaalsContact NH2-CG 3.3Å; R623-D935 IonicContact NH2-OD1 3.55Å; R623-D935 PolarHBondContact NH2-OD1 2.81Å; R623-D935 IonicContact NH2-OD2 2.75Å; R623-D935 PolarHBondContact NH2-OD2 3.09Å; R623-D975 IonicContact NH1-OD1 3.71Å
624	T	92.2	Very high	86.4	Confident	34 Å²	34	47.2 Å²	47.2	21%	0.209	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	115.5	165.6	-59.3	0	0	0	0	108.7	G278 A279 I281 P929	G278-T624 CarbonylContact C-O 3.51Å; G278-T624 WeakPolarHBondContact CA-O 3.3Å; A279-T624 PolarHBondContact N-O 2.65Å; A279-T624 PolarHBondContact O-N 2.98Å; I281-T624 VanDerWaalsContact CG1-OG1 3.29Å; I281-T624 WeakPolarHBondContact CG1-OG1 3.28Å; T624-P929 HydrophobicContact CG2-CG 4.43Å
625	L	93.4	Very high	87.5	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.01	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-58.3	148	172.4	-65.8	178.9	0	0	0	110.5	G931 V933 L948 Q978 R979 F982	L625-G931 WeakPolarHBondContact CB-O 3.39Å; L625-G931 WeakPolarHBondContact CG-O 3.17Å; L625-G931 PolarHBondContact N-O 2.98Å; L625-V933 HydrophobicContact CD1-CG2 3.77Å; L625-V933 HydrophobicContact CD2-CG2 4.44Å; L625-V933 HydrophobicContact CG-CG2 3.82Å; L625-L948 HydrophobicContact CD1-CD1 4.33Å; L625-Q978 HydrophobicContact CD1-CB 4.41Å; L625-R979 HydrophobicContact CD1-CG 4.48Å; L625-R979 HydrophobicContact CD2-CG 4.04Å; L625-F982 HydrophobicContact CB-CD1 4.09Å; L625-F982 HydrophobicContact CB-CE1 4.38Å; L625-F982 HydrophobicContact CD1-CB 3.75Å; L625-F982 HydrophobicContact CD1-CD1 4.06Å; L625-F982 HydrophobicContact CD1-CG 4.07Å
626	P	91.2	Very high	88.6	Confident	53 Å²	53	47.9 Å²	47.9	34%	0.344	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-59.8	141.7	174.5	27.3	-35.2	0	0	0	110.5
627	L	90.1	Very high	89.6	Confident	72 Å²	72	44.7 Å²	44.7	38%	0.377	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-61.7	147.9	171.1	-63.6	-177.5	0	0	0	110.1	T639 V643	L627-T639 WeakPolarHBondContact CD1-O 2.88Å; L627-V643 HydrophobicContact CD2-CG1 3.84Å
628	E	93.1	Very high	90.2	Very high	11 Å²	11	47.8 Å²	47.8	5%	0.051	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-102.2	149.4	-171.8	-66.6	-67.7	177.4	0	0	111.5	T639 R979 F982 K983	E628-T639 PolarHBondContact O-N 3.3Å; E628-R979 IonicContact OE1-CZ 2.72Å; E628-R979 IonicContact OE1-NE 3.95Å; E628-R979 PolarHBondContact OE1-NE 3.12Å; E628-R979 IonicContact OE1-NH2 2.64Å; E628-R979 PolarHBondContact OE1-NH2 3Å; E628-R979 IonicContact OE2-NH2 2.86Å; E628-F982 HydrophobicContact CG-CD1 4.18Å; E628-F982 HydrophobicContact CG-CE1 4.26Å; E628-K983 HydrophobicContact CG-CG 3.91Å; E628-K983 WeakPolarHBondContact OE1-CE 3.48Å; E628-K983 IonicContact OE1-NZ 2.71Å; E628-K983 PolarHBondContact OE1-NZ 3.04Å; E628-K983 IonicContact OE2-NZ 3.13Å; E628-K983 PolarHBondContact OE2-NZ 3.07Å
629	T	95.3	Very high	90.7	Very high	60 Å²	60	46 Å²	46	37%	0.368	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	122.3	177	-49.1	0	0	0	0	109.8	C636 F637	T629-C636 HydrophobicContact CG2-CB 3.87Å; T629-F637 CarbonylContact C-O 3.6Å; T629-F637 WeakPolarHBondContact CA-O 3.28Å; T629-F637 WeakPolarHBondContact CG2-O 3.39Å
630	I	96.9	Very high	90.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	136.2	168.4	-50.1	-56.6	0	0	0	108.1	C636 F637 T639 W645 W787 V789 H986	I630-C636 CarbonylContact O-C 3.58Å; I630-C636 WeakPolarHBondContact O-CA 3.27Å; I630-F637 HydrophobicContact CB-CD2 4.3Å; I630-F637 HydrophobicContact CB-CE1 4.15Å; I630-F637 HydrophobicContact CB-CE2 3.69Å; I630-F637 HydrophobicContact CB-CZ 3.6Å; I630-F637 HydrophobicContact CG1-CE2 3.85Å; I630-F637 HydrophobicContact CG1-CZ 4.16Å; I630-F637 HydrophobicContact CG2-CE1 4.18Å; I630-F637 HydrophobicContact CG2-CE2 4.26Å; I630-F637 HydrophobicContact CG2-CZ 3.69Å; I630-F637 PolarHBondContact N-O 2.94Å; I630-F637 PolarHBondContact O-N 3.17Å; I630-T639 HydrophobicContact CD1-CG2 3.86Å; I630-T639 HydrophobicContact CG1-CG2 3.67Å; I630-W645 HydrophobicContact CD1-CD2 3.94Å; I630-W645 HydrophobicContact CD1-CE3 3.87Å; I630-W645 HydrophobicContact CD1-CH2 3.8Å; I630-W645 HydrophobicContact CD1-CZ2 3.9Å; I630-W645 HydrophobicContact CD1-CZ3 3.79Å; I630-W645 HydrophobicContact CG1-CD2 3.82Å; I630-W645 HydrophobicContact CG1-CE3 3.9Å; I630-W645 HydrophobicContact CG1-CG 4.17Å; I630-W645 HydrophobicContact CG1-CZ3 4.33Å; I630-W787 HydrophobicContact CG2-CB 3.86Å; I630-W787 HydrophobicContact CG2-CG 4.02Å; I630-V789 HydrophobicContact CD1-CG1 3.76Å; I630-H986 HydrophobicContact CD1-CB 4.39Å
631	C	96.6	Very high	91	Very high	25 Å²	25	47.6 Å²	47.6	17%	0.169	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136.6	172.9	-71.6	0	0	0	0	111.3	C636 W787 T788	C631-C636 HydrophobicContact CB-CB 4.2Å; C631-C636 WeakPolarHBondContact CB-SG 3.36Å; C631-C636 WeakPolarHBondContact SG-CB 3.45Å; C631-C636 CovalentContact SG-SG 2.05Å; C631-C636 PolarHBondContact SG-SG 3.13Å; C631-W787 VanDerWaalsContact O-CA 3.31Å; C631-W787 WeakPolarHBondContact O-CA 3.14Å; C631-W787 WeakPolarHBondContact O-CB 3.37Å; C631-T788 HydrophobicContact CB-CG2 4.45Å; C631-T788 PolarHBondContact N-O 3Å; C631-T788 PolarHBondContact O-N 2.76Å
632	L	95.6	Very high	90.8	Very high	12 Å²	12	45.3 Å²	45.3	6%	0.063	29%	0.287	C	S	.	.			trans	-108.2	-162.7	173.3	-67.4	176.7	0	0	0	109.2	S635 F637 V649 D652 L786 W787	L632-S635 PolarHBondContact N-O 3.38Å; L632-F637 HydrophobicContact CD1-CE1 3.92Å; L632-F637 HydrophobicContact CG-CE1 4.28Å; L632-V649 HydrophobicContact CD2-CG1 4.11Å; L632-D652 HydrophobicContact CD1-CB 3.53Å; L632-L786 WeakPolarHBondContact CD2-O 3.4Å; L632-W787 HydrophobicContact CD2-CB 3.66Å
633	Q	92.8	Very high	90.9	Very high	112 Å²	112	45.3 Å²	45.3	52%	0.523	29%	0.286	S	S	.	.	S	Bend	trans	-66.1	-40.4	-178.6	-163.6	-173	8.8	0	0	113	T653	Q633-T653 WeakPolarHBondContact CB-O 3.48Å; Q633-T653 PolarHBondContact N-O 2.89Å; Q633-T653 VanDerWaalsContact N-O 3.14Å
634	T	88.3	Confident	91	Very high	114 Å²	114	45.7 Å²	45.7	70%	0.699	29%	0.292	S	S	*	.	S	Bend	trans	-127.1	-12.8	-171.7	51.9	0	0	0	0	114
635	S	91.4	Very high	91.1	Very high	27 Å²	27	44.1 Å²	44.1	19%	0.189	28%	0.283	C	S	.	.			trans	-125.5	147.3	-177.5	62.9	0	0	0	0	111.7	L632 D652	L632-S635 PolarHBondContact N-O 3.38Å; S635-D652 VanDerWaalsContact CB-OD2 3.31Å; S635-D652 WeakPolarHBondContact CB-OD2 3.49Å; S635-D652 PolarHBondContact OG-OD2 2.87Å
636	C	94.2	Very high	91	Very high	83 Å²	83	46.2 Å²	46.2	56%	0.561	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.9	136.9	168.7	-67.6	0	0	0	0	108.7	T629 I630 C631	T629-C636 HydrophobicContact CG2-CB 3.87Å; I630-C636 CarbonylContact O-C 3.58Å; I630-C636 WeakPolarHBondContact O-CA 3.27Å; C631-C636 HydrophobicContact CB-CB 4.2Å; C631-C636 WeakPolarHBondContact CB-SG 3.36Å; C631-C636 WeakPolarHBondContact SG-CB 3.45Å; C631-C636 CovalentContact SG-SG 2.05Å; C631-C636 PolarHBondContact SG-SG 3.13Å
637	F	93.8	Very high	91	Very high	46 Å²	46	52.2 Å²	52.2	20%	0.202	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	149.3	-176	58.7	-91.4	0	0	0	111.5	T629 I630 L632 W645 E648	T629-F637 CarbonylContact C-O 3.6Å; T629-F637 WeakPolarHBondContact CA-O 3.28Å; T629-F637 WeakPolarHBondContact CG2-O 3.39Å; I630-F637 HydrophobicContact CB-CD2 4.3Å; I630-F637 HydrophobicContact CB-CE1 4.15Å; I630-F637 HydrophobicContact CB-CE2 3.69Å; I630-F637 HydrophobicContact CB-CZ 3.6Å; I630-F637 HydrophobicContact CG1-CE2 3.85Å; I630-F637 HydrophobicContact CG1-CZ 4.16Å; I630-F637 HydrophobicContact CG2-CE1 4.18Å; I630-F637 HydrophobicContact CG2-CE2 4.26Å; I630-F637 HydrophobicContact CG2-CZ 3.69Å; I630-F637 PolarHBondContact N-O 2.94Å; I630-F637 PolarHBondContact O-N 3.17Å; L632-F637 HydrophobicContact CD1-CE1 3.92Å; L632-F637 HydrophobicContact CG-CE1 4.28Å; F637-W645 HydrophobicContact CE2-CB 3.56Å; F637-W645 HydrophobicContact CE2-CG 4.34Å; F637-W645 HydrophobicContact CZ-CB 3.78Å; F637-W645 HydrophobicContact CZ-CG 4.34Å; F637-E648 HydrophobicContact CD2-CG 4.33Å; F637-E648 HydrophobicContact CE1-CB 3.74Å; F637-E648 HydrophobicContact CE1-CG 4.19Å; F637-E648 HydrophobicContact CE2-CB 4.11Å; F637-E648 HydrophobicContact CE2-CG 3.94Å; F637-E648 HydrophobicContact CZ-CB 3.51Å; F637-E648 HydrophobicContact CZ-CG 3.87Å
638	A	89.4	Confident	91.2	Very high	76 Å²	76	51.7 Å²	51.7	63%	0.628	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	141.8	174.2	0	0	0	0	0	110.7
639	T	87.1	Confident	91.2	Very high	8 Å²	8	51.2 Å²	51.2	5%	0.049	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-67.5	141.9	173.7	59.6	0	0	0	0	111.7	L627 E628 I630 W645	L627-T639 WeakPolarHBondContact CD1-O 2.88Å; E628-T639 PolarHBondContact O-N 3.3Å; I630-T639 HydrophobicContact CD1-CG2 3.86Å; I630-T639 HydrophobicContact CG1-CG2 3.67Å; T639-W645 HydrophobicContact CG2-CE3 3.54Å; T639-W645 HydrophobicContact CG2-CZ3 3.66Å
640	G	83.8	Confident	91	Very high	39 Å²	39	49.5 Å²	49.5	40%	0.402	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-67.5	171.8	166.9	0	0	0	0	0	113.2	D642 V643	G640-D642 PolarHBondContact O-N 2.92Å; G640-V643 WeakPolarHBondContact O-CA 3.49Å; G640-V643 PolarHBondContact O-N 3.49Å
641	A	81.6	Confident	90.8	Very high	84 Å²	84	57.7 Å²	57.7	69%	0.694	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.4	-177.8	0	0	0	0	0	114.7	V643	A641-V643 VanDerWaalsContact C-N 3.26Å
642	D	82.6	Confident	90.5	Very high	66 Å²	66	59.3 Å²	59.3	35%	0.353	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	3.7	172	78.8	-25.5	0	0	0	113.7	G640 S644	G640-D642 PolarHBondContact O-N 2.92Å; D642-S644 PolarHBondContact O-N 2.95Å
643	V	89.4	Confident	90.4	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.012	34%	0.344	C	S	.	.			trans	45.5	44.3	177.6	-67.1	0	0	0	0	113.2	L627 G640 A641 P930 H952 G993 T994	L627-V643 HydrophobicContact CD2-CG1 3.84Å; G640-V643 WeakPolarHBondContact O-CA 3.49Å; G640-V643 PolarHBondContact O-N 3.49Å; A641-V643 VanDerWaalsContact C-N 3.26Å; V643-P930 HydrophobicContact CB-CB 4.33Å; V643-P930 HydrophobicContact CB-CG 4.41Å; V643-P930 HydrophobicContact CG1-CB 3.67Å; V643-P930 HydrophobicContact CG1-CG 3.99Å; V643-P930 HydrophobicContact CG2-CB 3.69Å; V643-P930 HydrophobicContact CG2-CG 3.52Å; V643-H952 HydrophobicContact CG2-CB 4.02Å; V643-G993 CarbonylContact O-C 3.57Å; V643-G993 WeakPolarHBondContact O-CA 3.46Å; V643-T994 HydrophobicContact CB-CG2 3.96Å; V643-T994 HydrophobicContact CG2-CG2 4.24Å; V643-T994 WeakPolarHBondContact CG2-OG1 3.38Å; V643-T994 PolarHBondContact O-N 3.15Å
644	S	91.5	Very high	90.5	Very high	34 Å²	34	55.6 Å²	55.6	24%	0.238	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-125.2	138.7	179.1	152.9	0	0	0	0	110.1	D642 S646	D642-S644 PolarHBondContact O-N 2.95Å; S644-S646 PolarHBondContact OG-OG 3.45Å
645	W	94.3	Very high	90.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.297	C	S	.	.			trans	-131.9	37.4	178.5	52.8	88.4	0	0	0	111.4	I630 F637 T639 R647 E648 W787 H986 P992 G993 T994	I630-W645 HydrophobicContact CD1-CD2 3.94Å; I630-W645 HydrophobicContact CD1-CE3 3.87Å; I630-W645 HydrophobicContact CD1-CH2 3.8Å; I630-W645 HydrophobicContact CD1-CZ2 3.9Å; I630-W645 HydrophobicContact CD1-CZ3 3.79Å; I630-W645 HydrophobicContact CG1-CD2 3.82Å; I630-W645 HydrophobicContact CG1-CE3 3.9Å; I630-W645 HydrophobicContact CG1-CG 4.17Å; I630-W645 HydrophobicContact CG1-CZ3 4.33Å; F637-W645 HydrophobicContact CE2-CB 3.56Å; F637-W645 HydrophobicContact CE2-CG 4.34Å; F637-W645 HydrophobicContact CZ-CB 3.78Å; F637-W645 HydrophobicContact CZ-CG 4.34Å; T639-W645 HydrophobicContact CG2-CE3 3.54Å; T639-W645 HydrophobicContact CG2-CZ3 3.66Å; W645-R647 VanDerWaalsContact C-N 3.25Å; W645-R647 PolarHBondContact O-N 3.23Å; W645-E648 WeakPolarHBondContact CA-OE2 3.39Å; W645-E648 PolarHBondContact O-N 2.9Å; W645-W787 AromaticContact CE2-CE2 3.83Å; W645-W787 AromaticContact CE2-CZ2 3.98Å; W645-W787 AromaticContact CE2-NE1 3.79Å; W645-W787 AromaticContact CZ2-CE2 3.85Å; W645-W787 AromaticContact CZ2-CZ2 3.95Å; W645-W787 HydrophobicContact CZ2-CZ2 3.95Å; W645-W787 AromaticContact CZ2-NE1 3.52Å; W645-W787 AromaticContact NE1-CD2 3.58Å; W645-W787 AromaticContact NE1-CE2 3.22Å; W645-W787 AromaticContact NE1-CH2 3.9Å; W645-W787 AromaticContact NE1-CZ2 3.4Å; W645-W787 AromaticContact NE1-NE1 3.56Å; W645-H986 HydrophobicContact CH2-CB 3.83Å; W645-H986 AromaticContact CH2-CD2 3.64Å; W645-H986 HydrophobicContact CZ2-CB 4.37Å; W645-H986 WeakPolarHBondContact CZ2-O 3.34Å; W645-H986 AromaticContact CZ3-CD2 3.73Å; W645-P992 HydrophobicContact CG-CB 4.38Å; W645-P992 PolarHBondContact N-O 2.89Å; W645-G993 VanDerWaalsContact CH2-CA 3.43Å; W645-G993 WeakPolarHBondContact CH2-O 3.12Å; W645-G993 VanDerWaalsContact CZ3-CA 3.44Å; W645-T994 HydrophobicContact CH2-CG2 4.3Å; W645-T994 HydrophobicContact CZ3-CG2 4.26Å
646	S	92.3	Very high	91.1	Very high	46 Å²	46	53 Å²	53	32%	0.322	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-11.6	-174.7	-66.5	0	0	0	0	115.3	S644 E648 P992	S644-S646 PolarHBondContact OG-OG 3.45Å; S646-E648 PolarHBondContact N-OE2 3.09Å; S646-P992 PolarHBondContact OG-O 3.33Å
647	R	91.8	Very high	91.2	Very high	180 Å²	180	50.4 Å²	50.4	68%	0.679	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-28.3	179.2	-62	169.9	167.6	-177.9	-5.1	111.5	W645 V650 R651	W645-R647 VanDerWaalsContact C-N 3.25Å; W645-R647 PolarHBondContact O-N 3.23Å; R647-V650 VanDerWaalsContact O-CG2 3.28Å; R647-V650 WeakPolarHBondContact O-CG2 3.38Å; R647-R651 VanDerWaalsContact O-CD 3.32Å; R647-R651 WeakPolarHBondContact O-CD 3.39Å; R647-R651 VanDerWaalsContact O-CG 3.24Å; R647-R651 WeakPolarHBondContact O-CG 3.36Å
648	E	92.9	Very high	91.3	Very high	60 Å²	60	49.8 Å²	49.8	28%	0.28	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-77.9	-51.2	-169.6	-63.5	62.8	-142.6	0	0	109.3	F637 W645 S646 V650 R651 D652	F637-E648 HydrophobicContact CD2-CG 4.33Å; F637-E648 HydrophobicContact CE1-CB 3.74Å; F637-E648 HydrophobicContact CE1-CG 4.19Å; F637-E648 HydrophobicContact CE2-CB 4.11Å; F637-E648 HydrophobicContact CE2-CG 3.94Å; F637-E648 HydrophobicContact CZ-CB 3.51Å; F637-E648 HydrophobicContact CZ-CG 3.87Å; W645-E648 WeakPolarHBondContact CA-OE2 3.39Å; W645-E648 PolarHBondContact O-N 2.9Å; S646-E648 PolarHBondContact N-OE2 3.09Å; E648-V650 PolarHBondContact O-N 2.95Å; E648-R651 PolarHBondContact O-N 3.47Å; E648-D652 PolarHBondContact O-N 3.09Å
649	V	93	Very high	91.5	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.012	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-65.9	1.9	175.3	-60.5	0	0	0	0	115.2	L632 L776 W787 P992	L632-V649 HydrophobicContact CD2-CG1 4.11Å; V649-L776 HydrophobicContact CB-CD1 4.44Å; V649-L776 HydrophobicContact CG2-CD1 3.85Å; V649-W787 HydrophobicContact CB-CE3 4.33Å; V649-W787 HydrophobicContact CB-CZ3 4.38Å; V649-W787 HydrophobicContact CG1-CD2 4.2Å; V649-W787 HydrophobicContact CG1-CE3 3.46Å; V649-W787 VanDerWaalsContact CG1-CE3 3.46Å; V649-W787 HydrophobicContact CG1-CZ3 3.84Å; V649-W787 HydrophobicContact CG2-CZ3 4.46Å; V649-P992 HydrophobicContact CG1-CB 4.5Å; V649-P992 HydrophobicContact CG2-CB 3.63Å; V649-P992 HydrophobicContact CG2-CG 4.08Å
650	V	92.8	Very high	92	Very high	23 Å²	23	47.6 Å²	47.6	14%	0.139	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-123.3	11	175.6	-55.7	0	0	0	0	113	R647 E648 Q772 L776	R647-V650 VanDerWaalsContact O-CG2 3.28Å; R647-V650 WeakPolarHBondContact O-CG2 3.38Å; E648-V650 PolarHBondContact O-N 2.95Å; V650-Q772 HydrophobicContact CB-CG 4.29Å; V650-Q772 HydrophobicContact CG1-CB 3.89Å; V650-Q772 HydrophobicContact CG1-CG 4.22Å; V650-L776 HydrophobicContact CG1-CD1 4.05Å
651	R	91.2	Very high	92.6	Very high	173 Å²	173	50.5 Å²	50.5	65%	0.653	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.9	-40.2	175.5	-76.2	173.3	171.4	-163.2	-7.6	111.2	R647 E648 P688	R647-R651 VanDerWaalsContact O-CD 3.32Å; R647-R651 WeakPolarHBondContact O-CD 3.39Å; R647-R651 VanDerWaalsContact O-CG 3.24Å; R647-R651 WeakPolarHBondContact O-CG 3.36Å; E648-R651 PolarHBondContact O-N 3.47Å; R651-P688 CarbonylContact C-O 3.57Å
652	D	90.9	Very high	93.3	Very high	58 Å²	58	49.2 Å²	49.2	31%	0.31	25%	0.251	S	S	.	.	S	Bend	trans	-107.7	152	-175.6	-68	13.6	0	0	0	111.3	L632 S635 E648 P688	L632-D652 HydrophobicContact CD1-CB 3.53Å; S635-D652 VanDerWaalsContact CB-OD2 3.31Å; S635-D652 WeakPolarHBondContact CB-OD2 3.49Å; S635-D652 PolarHBondContact OG-OD2 2.87Å; E648-D652 PolarHBondContact O-N 3.09Å; D652-P688 CarbonylContact C-O 3.57Å
653	T	94.3	Very high	94	Very high	44 Å²	44	46.1 Å²	46.1	27%	0.27	24%	0.235	S	C	.	.			trans	-67.9	132.4	-173	-33.7	0	0	0	0	113.2	Q633	Q633-T653 WeakPolarHBondContact CB-O 3.48Å; Q633-T653 PolarHBondContact N-O 2.89Å; Q633-T653 VanDerWaalsContact N-O 3.14Å
654	S	95.1	Very high	94.4	Very high	2 Å²	2	46 Å²	46	1%	0.014	23%	0.234	C	C	.	.			trans	-59.2	141.9	169.6	-61.1	0	0	0	0	111.1	S656 I689 E785 L786	S654-S656 PolarHBondContact O-N 3.29Å; S654-I689 PolarHBondContact N-O 3.4Å; S654-I689 PolarHBondContact OG-O 3.43Å; S654-E785 CarbonylContact C-O 3.59Å; S654-E785 WeakPolarHBondContact CB-O 3.46Å; S654-L786 WeakPolarHBondContact CA-O 3.48Å
655	I	96.8	Very high	94.8	Very high	44 Å²	44	44.4 Å²	44.4	23%	0.226	22%	0.223	C	C	.	.	S	Bend	trans	-43.7	-42.8	-179.9	-66.8	172.1	0	0	0	112.5	E785 L786 T788 T826	I655-E785 WeakPolarHBondContact CA-O 3.45Å; I655-E785 HydrophobicContact CB-CB 4.08Å; I655-E785 WeakPolarHBondContact CB-O 3.33Å; I655-E785 HydrophobicContact CG2-CB 4.13Å; I655-E785 PolarHBondContact N-O 3.46Å; I655-L786 PolarHBondContact N-O 3.22Å; I655-T788 HydrophobicContact CD1-CG2 3.8Å; I655-T826 HydrophobicContact CD1-CG2 4.3Å
656	S	95.7	Very high	95	Very high	42 Å²	42	44.4 Å²	44.4	29%	0.294	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-140.8	134.3	170.5	179.5	0	0	0	0	110.2	S654 N779 G784 E785	S654-S656 PolarHBondContact O-N 3.29Å; S656-N779 PolarHBondContact O-ND2 3.02Å; S656-G784 CarbonylContact O-C 3.59Å; S656-G784 WeakPolarHBondContact O-CA 3.2Å; S656-E785 PolarHBondContact N-O 3.43Å; S656-E785 PolarHBondContact O-N 3.15Å
657	S	94.4	Very high	95.2	Very high	29 Å²	29	43.2 Å²	43.2	20%	0.203	21%	0.212	C	C	.	.			trans	-123	123.2	177.3	-68.1	0	0	0	0	111	P659 I689 G690 N779	S657-P659 WeakPolarHBondContact O-CD 3.49Å; S657-I689 PolarHBondContact OG-O 3.45Å; S657-G690 VanDerWaalsContact CB-C 3.47Å; S657-G690 WeakPolarHBondContact CB-O 3.34Å; S657-N779 WeakPolarHBondContact CA-OD1 3.17Å
658	V	95.7	Very high	95.4	Very high	34 Å²	34	34.9 Å²	34.9	21%	0.206	18%	0.18	C	C	.	.			trans	-80.4	122.7	177.4	-177.2	0	0	0	0	109.6	L660 N779 L782	V658-L660 PolarHBondContact O-N 3.12Å; V658-N779 PolarHBondContact N-OD1 3.49Å; V658-L782 HydrophobicContact CB-CB 3.88Å; V658-L782 HydrophobicContact CB-CD1 4.42Å; V658-L782 HydrophobicContact CG1-CB 4.02Å; V658-L782 HydrophobicContact CG1-CD1 4.49Å; V658-L782 HydrophobicContact CG2-CB 3.95Å
659	P	95.6	Very high	95.5	Very high	36 Å²	36	34.6 Å²	34.6	23%	0.234	19%	0.185	C	C	.	.			trans	-63.2	128	174.2	-22.8	35.2	0	0	0	111.6	S657 N661 R692 Q724	S657-P659 WeakPolarHBondContact O-CD 3.49Å; P659-N661 WeakPolarHBondContact CB-OD1 3.44Å; P659-N661 PolarHBondContact O-N 2.81Å; P659-R692 HydrophobicContact CB-CB 4.37Å; P659-Q724 PolarHBondContact O-NE2 3.07Å; P659-Q724 PolarHBondContact O-OE1 3.41Å
660	L	95.6	Very high	95.6	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-96.9	83.3	179.4	-165.5	67	0	0	0	109.6	V658 W663 R692 M693 A694 Q724 L725 L782	V658-L660 PolarHBondContact O-N 3.12Å; L660-W663 HydrophobicContact CD1-CB 3.8Å; L660-W663 HydrophobicContact CD1-CG 4.12Å; L660-W663 HydrophobicContact CD2-CB 4.09Å; L660-W663 HydrophobicContact CD2-CD2 3.55Å; L660-W663 HydrophobicContact CD2-CE3 4.13Å; L660-W663 HydrophobicContact CD2-CG 3.56Å; L660-W663 HydrophobicContact CD2-CZ2 4.37Å; L660-W663 HydrophobicContact CG-CB 3.83Å; L660-W663 HydrophobicContact CG-CD2 4.12Å; L660-W663 HydrophobicContact CG-CG 3.57Å; L660-R692 PolarHBondContact N-O 3.45Å; L660-M693 HydrophobicContact CD2-CE 3.75Å; L660-M693 HydrophobicContact CD2-CG 4.42Å; L660-A694 PolarHBondContact O-N 3.08Å; L660-Q724 HydrophobicContact CD1-CB 4.34Å; L660-L725 HydrophobicContact CD1-CB 3.9Å; L660-L725 HydrophobicContact CD1-CD2 4.08Å; L660-L725 HydrophobicContact CD2-CD2 4Å; L660-L782 HydrophobicContact CD1-CD1 3.86Å
661	N	96.3	Very high	95.7	Very high	101 Å²	101	41.6 Å²	41.6	54%	0.54	21%	0.21	S	C	.	.			trans	-88	-44.3	-173.2	-60	-18.9	0	0	0	112.2	P659 A694	P659-N661 WeakPolarHBondContact CB-OD1 3.44Å; P659-N661 PolarHBondContact O-N 2.81Å; N661-A694 VanDerWaalsContact O-CB 3.25Å; N661-A694 WeakPolarHBondContact O-CB 3.23Å
662	I	97.2	Very high	95.9	Very high	56 Å²	56	34.9 Å²	34.9	29%	0.287	19%	0.191	S	C	.	.	S	Bend	trans	-128.7	107.7	-178	-52.3	178.9	0	0	0	108.1	I697 N722 L723 Q724	I662-I697 HydrophobicContact CG2-CD1 4.39Å; I662-N722 HydrophobicContact CD1-CB 3.82Å; I662-L723 HydrophobicContact CG2-CD1 4.05Å; I662-Q724 WeakPolarHBondContact O-CB 3.4Å; I662-Q724 PolarHBondContact O-N 3.33Å
663	W	97.6	Very high	96.1	Very high	2 Å²	2	38 Å²	38	1%	0.008	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	151.7	-177.1	68.2	-70.1	0	0	0	111.2	L660 I665 V679 F682 M693 A694 P696 I697 L725 V727	L660-W663 HydrophobicContact CD1-CB 3.8Å; L660-W663 HydrophobicContact CD1-CG 4.12Å; L660-W663 HydrophobicContact CD2-CB 4.09Å; L660-W663 HydrophobicContact CD2-CD2 3.55Å; L660-W663 HydrophobicContact CD2-CE3 4.13Å; L660-W663 HydrophobicContact CD2-CG 3.56Å; L660-W663 HydrophobicContact CD2-CZ2 4.37Å; L660-W663 HydrophobicContact CG-CB 3.83Å; L660-W663 HydrophobicContact CG-CD2 4.12Å; L660-W663 HydrophobicContact CG-CG 3.57Å; W663-I665 HydrophobicContact CZ3-CB 4.44Å; W663-V679 HydrophobicContact CH2-CG2 4.11Å; W663-F682 AromaticContact CH2-CD2 3.9Å; W663-F682 HydrophobicContact CH2-CD2 3.9Å; W663-F682 HydrophobicContact CH2-CE2 4.19Å; W663-F682 HydrophobicContact CZ3-CE2 4.47Å; W663-M693 HydrophobicContact CH2-SD 4.2Å; W663-M693 HydrophobicContact CZ2-CE 4.39Å; W663-M693 HydrophobicContact CZ2-CG 3.95Å; W663-M693 HydrophobicContact CZ2-SD 3.52Å; W663-M693 VanDerWaalsContact CZ2-SD 3.52Å; W663-A694 PolarHBondContact NE1-O 3.36Å; W663-P696 HydrophobicContact CD2-CB 3.71Å; W663-P696 HydrophobicContact CE3-CB 3.91Å; W663-P696 HydrophobicContact CG-CB 4.37Å; W663-P696 HydrophobicContact CH2-CB 3.85Å; W663-P696 HydrophobicContact CH2-CG 3.85Å; W663-P696 HydrophobicContact CZ2-CB 3.63Å; W663-P696 HydrophobicContact CZ2-CG 3.64Å; W663-P696 HydrophobicContact CZ3-CB 3.97Å; W663-P696 HydrophobicContact CZ3-CG 4.4Å; W663-P696 CarbonylContact O-C 3.21Å; W663-P696 WeakPolarHBondContact O-CA 3.27Å; W663-I697 PolarHBondContact O-N 3.4Å; W663-L725 HydrophobicContact CB-CB 4.05Å; W663-L725 HydrophobicContact CE3-CD2 4.44Å; W663-V727 HydrophobicContact CE3-CG2 3.82Å; W663-V727 HydrophobicContact CZ3-CG2 3.87Å
664	A	98.3	Very high	96.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140.9	-174.8	0	0	0	0	0	111.8	F666 I697 L723 L725 V727	A664-F666 HydrophobicContact CB-CD2 4.32Å; A664-F666 HydrophobicContact CB-CE2 3.52Å; A664-F666 HydrophobicContact CB-CZ 3.96Å; A664-I697 CarbonylContact C-O 3.59Å; A664-I697 VanDerWaalsContact CA-O 3.31Å; A664-I697 WeakPolarHBondContact CA-O 3.17Å; A664-I697 HydrophobicContact CB-CB 4.1Å; A664-L723 HydrophobicContact CB-CD1 3.91Å; A664-L723 HydrophobicContact CB-CD2 4.21Å; A664-L725 PolarHBondContact N-O 3.49Å; A664-L725 VanDerWaalsContact N-O 3.07Å; A664-V727 PolarHBondContact O-N 3.3Å
665	I	98.4	Very high	96.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	118.8	172.8	-169.2	168.9	0	0	0	110.4	W663 Y667 A675 L678 V679 P696 I697 R698 V699 V727 I729	W663-I665 HydrophobicContact CZ3-CB 4.44Å; I665-Y667 HydrophobicContact CG1-CD1 4.39Å; I665-Y667 HydrophobicContact CG2-CD1 4.37Å; I665-Y667 HydrophobicContact CG2-CE1 4.29Å; I665-A675 HydrophobicContact CD1-CB 4.34Å; I665-L678 HydrophobicContact CD1-CD2 4.35Å; I665-V679 HydrophobicContact CD1-CG2 4.19Å; I665-P696 HydrophobicContact CG2-CB 4.03Å; I665-P696 HydrophobicContact CG2-CG 4.19Å; I665-I697 PolarHBondContact N-O 2.89Å; I665-R698 HydrophobicContact CG2-CG 3.93Å; I665-V699 PolarHBondContact O-N 3.01Å; I665-V727 CarbonylContact C-O 3.57Å; I665-V727 WeakPolarHBondContact CA-O 3.44Å; I665-V727 HydrophobicContact CB-CB 4.3Å; I665-V727 HydrophobicContact CD1-CG1 4.21Å; I665-V727 HydrophobicContact CG1-CB 4.12Å; I665-V727 HydrophobicContact CG1-CG1 4.05Å; I665-I729 HydrophobicContact CD1-CD1 3.99Å; I665-I729 HydrophobicContact CD1-CG1 4.47Å; I665-I729 HydrophobicContact CG1-CD1 4.48Å
666	F	98.4	Very high	96.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	126.8	-179	-60.5	-98	0	0	0	109.4	A664 V699 L701 I713 H716 V726 V727 I729	A664-F666 HydrophobicContact CB-CD2 4.32Å; A664-F666 HydrophobicContact CB-CE2 3.52Å; A664-F666 HydrophobicContact CB-CZ 3.96Å; F666-V699 WeakPolarHBondContact CA-O 3.43Å; F666-V699 HydrophobicContact CD1-CB 3.48Å; F666-V699 VanDerWaalsContact CD1-CB 3.48Å; F666-V699 HydrophobicContact CD1-CG1 3.59Å; F666-V699 HydrophobicContact CD1-CG2 3.97Å; F666-V699 HydrophobicContact CE1-CB 3.67Å; F666-V699 HydrophobicContact CE1-CG1 3.68Å; F666-V699 HydrophobicContact CE1-CG2 3.65Å; F666-V699 HydrophobicContact CG-CB 4.15Å; F666-V699 HydrophobicContact CZ-CB 4.46Å; F666-V699 HydrophobicContact CZ-CG2 4.04Å; F666-L701 HydrophobicContact CB-CD1 4.33Å; F666-L701 HydrophobicContact CD1-CD2 4.43Å; F666-I713 HydrophobicContact CD1-CG1 3.72Å; F666-I713 HydrophobicContact CD2-CG1 3.93Å; F666-I713 HydrophobicContact CE1-CB 4.27Å; F666-I713 HydrophobicContact CE1-CG1 3.71Å; F666-I713 HydrophobicContact CE2-CG1 3.91Å; F666-I713 HydrophobicContact CG-CG1 3.85Å; F666-I713 HydrophobicContact CZ-CB 4.21Å; F666-I713 HydrophobicContact CZ-CG1 3.82Å; F666-H716 HydrophobicContact CE1-CB 4.49Å; F666-H716 AromaticContact CE1-ND1 3.91Å; F666-H716 HydrophobicContact CZ-CB 4.05Å; F666-V726 HydrophobicContact CD2-CG1 3.99Å; F666-V726 HydrophobicContact CE2-CB 4.49Å; F666-V726 HydrophobicContact CE2-CG1 3.92Å; F666-V726 HydrophobicContact CE2-CG2 4.17Å; F666-V727 PolarHBondContact N-O 2.73Å; F666-I729 PolarHBondContact O-N 3.31Å
667	Y	97.8	Very high	96.3	Very high	21 Å²	21	40.7 Å²	40.7	8%	0.082	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	146	-176.7	56.7	-89.3	0	0	0	111.5	I665 A672 A675 R698 V699 E700 L701	I665-Y667 HydrophobicContact CG1-CD1 4.39Å; I665-Y667 HydrophobicContact CG2-CD1 4.37Å; I665-Y667 HydrophobicContact CG2-CE1 4.29Å; Y667-A672 HydrophobicContact CD2-CB 4.39Å; Y667-A672 HydrophobicContact CE2-CB 3.88Å; Y667-A675 HydrophobicContact CD1-CB 3.67Å; Y667-A675 HydrophobicContact CD2-CB 4.22Å; Y667-A675 HydrophobicContact CE1-CB 3.98Å; Y667-A675 HydrophobicContact CG-CB 3.81Å; Y667-R698 HydrophobicContact CE1-CB 4.08Å; Y667-R698 HydrophobicContact CE1-CG 4.46Å; Y667-V699 PolarHBondContact N-O 3.26Å; Y667-V699 VanDerWaalsContact N-O 3.16Å; Y667-E700 HydrophobicContact CD2-CG 4.35Å; Y667-E700 HydrophobicContact CE2-CB 3.96Å; Y667-E700 HydrophobicContact CE2-CG 3.86Å; Y667-E700 CarbonylContact O-C 3.51Å; Y667-E700 WeakPolarHBondContact O-CA 3.36Å; Y667-L701 PolarHBondContact O-N 2.99Å
668	P	96.2	Very high	96.5	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.026	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	150.6	169	-18.6	32.8	0	0	0	111.4	R670 C671 L701 E704 Y709 V731	P668-R670 HydrophobicContact CB-CG 4.38Å; P668-R670 PolarHBondContact O-N 3.33Å; P668-R670 VanDerWaalsContact O-N 3.09Å; P668-C671 WeakPolarHBondContact O-CA 3.35Å; P668-C671 WeakPolarHBondContact O-CB 3.18Å; P668-C671 PolarHBondContact O-N 2.87Å; P668-L701 WeakPolarHBondContact CA-O 3.32Å; P668-E704 HydrophobicContact CB-CG 3.84Å; P668-E704 HydrophobicContact CG-CG 3.41Å; P668-E704 VanDerWaalsContact CG-CG 3.41Å; P668-Y709 WeakPolarHBondContact CD-OH 3.42Å; P668-Y709 VanDerWaalsContact CG-OH 3.32Å; P668-Y709 WeakPolarHBondContact CG-OH 3.45Å; P668-V731 HydrophobicContact CG-CG2 4.42Å
669	S	94.3	Very high	96.5	Very high	55 Å²	55	37.8 Å²	37.8	39%	0.385	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-46.2	-44.2	178.7	-55.8	0	0	0	0	113.9	C671 A672 E700 L701	S669-C671 PolarHBondContact O-N 3.42Å; S669-A672 WeakPolarHBondContact O-CB 3.19Å; S669-A672 PolarHBondContact O-N 2.75Å; S669-A672 VanDerWaalsContact O-N 3.14Å; S669-E700 WeakPolarHBondContact CA-OE1 3.43Å; S669-E700 WeakPolarHBondContact CB-OE1 3.36Å; S669-E700 WeakPolarHBondContact OG-CG 3.31Å; S669-E700 PolarHBondContact OG-OE1 3.28Å; S669-L701 PolarHBondContact N-O 2.88Å
670	R	94.3	Very high	96.6	Very high	168 Å²	168	37.9 Å²	37.9	63%	0.634	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-67.6	7.3	176.7	69.8	162.1	175.8	176.8	-7	115.8	P668 E704	P668-R670 HydrophobicContact CB-CG 4.38Å; P668-R670 PolarHBondContact O-N 3.33Å; P668-R670 VanDerWaalsContact O-N 3.09Å; R670-E704 IonicContact CZ-OE1 3.41Å; R670-E704 IonicContact CZ-OE2 3.17Å; R670-E704 IonicContact NE-OE1 3.07Å; R670-E704 PolarHBondContact NE-OE1 2.82Å; R670-E704 IonicContact NH2-OE1 2.66Å; R670-E704 PolarHBondContact NH2-OE1 2.85Å; R670-E704 IonicContact NH2-OE2 2.62Å; R670-E704 PolarHBondContact NH2-OE2 3.06Å
671	C	95.5	Very high	96.6	Very high	4 Å²	4	38.6 Å²	38.6	3%	0.027	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-123.8	9.6	177.1	-64.2	0	0	0	0	113.1	P668 S669 D673 Q674 A675 I729	P668-C671 WeakPolarHBondContact O-CA 3.35Å; P668-C671 WeakPolarHBondContact O-CB 3.18Å; P668-C671 PolarHBondContact O-N 2.87Å; S669-C671 PolarHBondContact O-N 3.42Å; C671-D673 PolarHBondContact O-N 3.14Å; C671-Q674 VanDerWaalsContact CA-OE1 3.29Å; C671-Q674 PolarHBondContact O-N 2.91Å; C671-A675 WeakPolarHBondContact O-CB 3.38Å; C671-A675 PolarHBondContact O-N 2.86Å; C671-I729 HydrophobicContact CB-CG2 4.16Å
672	A	95.9	Very high	96.6	Very high	31 Å²	31	34 Å²	34	26%	0.256	17%	0.174	S	C	.	.	H	α-helix	trans	-56.4	-46.1	-179.3	0	0	0	0	0	112.7	Y667 S669 Q674 A675 E676	Y667-A672 HydrophobicContact CD2-CB 4.39Å; Y667-A672 HydrophobicContact CE2-CB 3.88Å; S669-A672 WeakPolarHBondContact O-CB 3.19Å; S669-A672 PolarHBondContact O-N 2.75Å; S669-A672 VanDerWaalsContact O-N 3.14Å; A672-Q674 PolarHBondContact O-N 2.79Å; A672-A675 WeakPolarHBondContact O-CB 3.38Å; A672-A675 PolarHBondContact O-N 2.94Å; A672-A675 VanDerWaalsContact O-N 3.15Å; A672-E676 PolarHBondContact O-N 3.2Å
673	D	95.8	Very high	96.5	Very high	124 Å²	124	36.9 Å²	36.9	66%	0.663	18%	0.184	S	C	*	.	H	α-helix	trans	-60	-45	179.7	-57.1	-35.3	0	0	0	112	C671 A675 E676 E677	C671-D673 PolarHBondContact O-N 3.14Å; D673-A675 VanDerWaalsContact C-N 3.31Å; D673-A675 PolarHBondContact O-N 2.9Å; D673-E676 PolarHBondContact O-N 3.15Å; D673-E677 WeakPolarHBondContact O-CB 3.49Å; D673-E677 PolarHBondContact O-N 2.84Å
674	Q	96.4	Very high	96.3	Very high	47 Å²	47	43.9 Å²	43.9	22%	0.22	22%	0.215	C	C	.	.	H	α-helix	trans	-74.3	-24.2	-179.9	-57.7	80.5	29	0	0	111.9	C671 A672 L678 V758 I761	C671-Q674 VanDerWaalsContact CA-OE1 3.29Å; C671-Q674 PolarHBondContact O-N 2.91Å; A672-Q674 PolarHBondContact O-N 2.79Å; Q674-L678 WeakPolarHBondContact O-CB 3.41Å; Q674-L678 PolarHBondContact O-N 2.54Å; Q674-L678 VanDerWaalsContact O-N 3.07Å; Q674-V758 HydrophobicContact CB-CG2 4.43Å; Q674-V758 HydrophobicContact CG-CG2 4.4Å; Q674-I761 HydrophobicContact CB-CD1 3.89Å; Q674-I761 HydrophobicContact CB-CG1 4.22Å
675	A	96.8	Very high	96.2	Very high	2 Å²	2	44 Å²	44	2%	0.017	22%	0.216	C	C	.	.	H	α-helix	trans	-69.3	-45.3	169.2	0	0	0	0	0	111.4	I665 Y667 C671 A672 D673 V679 I729	I665-A675 HydrophobicContact CD1-CB 4.34Å; Y667-A675 HydrophobicContact CD1-CB 3.67Å; Y667-A675 HydrophobicContact CD2-CB 4.22Å; Y667-A675 HydrophobicContact CE1-CB 3.98Å; Y667-A675 HydrophobicContact CG-CB 3.81Å; C671-A675 WeakPolarHBondContact O-CB 3.38Å; C671-A675 PolarHBondContact O-N 2.86Å; A672-A675 WeakPolarHBondContact O-CB 3.38Å; A672-A675 PolarHBondContact O-N 2.94Å; A672-A675 VanDerWaalsContact O-N 3.15Å; D673-A675 VanDerWaalsContact C-N 3.31Å; D673-A675 PolarHBondContact O-N 2.9Å; A675-V679 WeakPolarHBondContact O-CB 3.11Å; A675-V679 VanDerWaalsContact O-CG2 3.23Å; A675-V679 WeakPolarHBondContact O-CG2 3.36Å; A675-V679 PolarHBondContact O-N 2.73Å; A675-I729 HydrophobicContact CB-CD1 3.73Å
676	E	96.1	Very high	96	Very high	86 Å²	86	44.2 Å²	44.2	40%	0.402	22%	0.217	S	C	.	.	H	α-helix	trans	-63.9	-48.1	174.9	-175.7	63.9	-100.1	0	0	111.4	A672 D673 L678 V679 S680 R698	A672-E676 PolarHBondContact O-N 3.2Å; D673-E676 PolarHBondContact O-N 3.15Å; E676-L678 VanDerWaalsContact C-N 3.31Å; E676-L678 PolarHBondContact O-N 3.4Å; E676-V679 PolarHBondContact O-N 3.47Å; E676-S680 VanDerWaalsContact O-CB 3.26Å; E676-S680 WeakPolarHBondContact O-CB 3.5Å; E676-S680 PolarHBondContact O-N 2.65Å; E676-R698 IonicContact OE1-CZ 3.5Å; E676-R698 IonicContact OE1-NH1 3.25Å; E676-R698 IonicContact OE1-NH2 3.25Å; E676-R698 PolarHBondContact OE1-NH2 3.08Å; E676-R698 IonicContact OE2-CZ 2.63Å; E676-R698 IonicContact OE2-NH1 3.13Å; E676-R698 PolarHBondContact OE2-NH1 2.83Å; E676-R698 IonicContact OE2-NH2 2.94Å; E676-R698 PolarHBondContact OE2-NH2 2.72Å
677	E	96.3	Very high	95.8	Very high	54 Å²	54	46.9 Å²	46.9	25%	0.252	24%	0.244	S	C	.	.	H	α-helix	trans	-62	-39	180	-158.3	-166.2	-176	0	0	111.8	D673 T681 Q764 L767	D673-E677 WeakPolarHBondContact O-CB 3.49Å; D673-E677 PolarHBondContact O-N 2.84Å; E677-T681 VanDerWaalsContact O-CB 3.25Å; E677-T681 WeakPolarHBondContact O-CB 3.31Å; E677-T681 PolarHBondContact O-N 3Å; E677-T681 PolarHBondContact O-OG1 2.88Å; E677-Q764 VanDerWaalsContact OE1-CG 3.31Å; E677-Q764 WeakPolarHBondContact OE1-CG 3.43Å; E677-Q764 PolarHBondContact OE1-NE2 2.86Å; E677-L767 HydrophobicContact CB-CD2 4.03Å; E677-L767 HydrophobicContact CG-CD2 3.47Å; E677-L767 VanDerWaalsContact CG-CD2 3.47Å; E677-L767 WeakPolarHBondContact OE2-CD2 3.46Å
678	L	97.4	Very high	95.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.6	-46.1	174	179.3	65.2	0	0	0	111.9	I665 Q674 E676 T681 F682 I729 I756 I761 L767 A771	I665-L678 HydrophobicContact CD1-CD2 4.35Å; Q674-L678 WeakPolarHBondContact O-CB 3.41Å; Q674-L678 PolarHBondContact O-N 2.54Å; Q674-L678 VanDerWaalsContact O-N 3.07Å; E676-L678 VanDerWaalsContact C-N 3.31Å; E676-L678 PolarHBondContact O-N 3.4Å; L678-T681 PolarHBondContact O-N 3.5Å; L678-F682 HydrophobicContact CD1-CD1 4.24Å; L678-F682 HydrophobicContact CD1-CE1 3.71Å; L678-F682 HydrophobicContact CD1-CE2 4.02Å; L678-F682 HydrophobicContact CD1-CZ 3.58Å; L678-F682 HydrophobicContact CD2-CE2 3.95Å; L678-F682 HydrophobicContact CD2-CZ 3.98Å; L678-F682 HydrophobicContact CG-CD2 4.15Å; L678-F682 HydrophobicContact CG-CE1 4.29Å; L678-F682 HydrophobicContact CG-CE2 3.66Å; L678-F682 HydrophobicContact CG-CZ 3.74Å; L678-F682 WeakPolarHBondContact O-CG 3.44Å; L678-F682 PolarHBondContact O-N 3.32Å; L678-I729 HydrophobicContact CD2-CD1 4.49Å; L678-I756 HydrophobicContact CD2-CD1 3.59Å; L678-I761 HydrophobicContact CD1-CG2 4.08Å; L678-I761 HydrophobicContact CD2-CD1 4.26Å; L678-I761 HydrophobicContact CD2-CG2 4.48Å; L678-L767 HydrophobicContact CD1-CD1 4.03Å; L678-A771 HydrophobicContact CD1-CB 4.22Å
679	V	96.8	Very high	95.3	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-66.4	-40.9	178.9	171	0	0	0	0	111.5	W663 I665 A675 E676 T681 F682 K683 P696	W663-V679 HydrophobicContact CH2-CG2 4.11Å; I665-V679 HydrophobicContact CD1-CG2 4.19Å; A675-V679 WeakPolarHBondContact O-CB 3.11Å; A675-V679 VanDerWaalsContact O-CG2 3.23Å; A675-V679 WeakPolarHBondContact O-CG2 3.36Å; A675-V679 PolarHBondContact O-N 2.73Å; E676-V679 PolarHBondContact O-N 3.47Å; V679-T681 VanDerWaalsContact C-N 3.33Å; V679-F682 PolarHBondContact O-N 3.42Å; V679-K683 WeakPolarHBondContact O-CG 3.5Å; V679-K683 PolarHBondContact O-N 2.89Å; V679-K683 VanDerWaalsContact O-N 3.12Å; V679-P696 HydrophobicContact CG1-CG 3.82Å; V679-P696 HydrophobicContact CG2-CG 3.78Å
680	S	96.3	Very high	95.2	Very high	39 Å²	39	47 Å²	47	27%	0.273	25%	0.25	S	S	.	.	H	α-helix	trans	-60.1	-42.4	171.6	-176.3	0	0	0	0	111.4	E676 K684	E676-S680 VanDerWaalsContact O-CB 3.26Å; E676-S680 WeakPolarHBondContact O-CB 3.5Å; E676-S680 PolarHBondContact O-N 2.65Å; S680-K684 WeakPolarHBondContact O-CD 3.25Å; S680-K684 VanDerWaalsContact O-CG 3.31Å; S680-K684 WeakPolarHBondContact O-CG 3.35Å; S680-K684 PolarHBondContact O-N 3.23Å; S680-K684 PolarHBondContact OG-NZ 3.24Å
681	T	96.9	Very high	95.2	Very high	16 Å²	16	39.3 Å²	39.3	10%	0.098	22%	0.222	C	C	.	.	H	α-helix	trans	-68.8	-41.6	176.9	-58.9	0	0	0	0	112	E677 L678 V679 K683 K684 V685 L767 K768 A771	E677-T681 VanDerWaalsContact O-CB 3.25Å; E677-T681 WeakPolarHBondContact O-CB 3.31Å; E677-T681 PolarHBondContact O-N 3Å; E677-T681 PolarHBondContact O-OG1 2.88Å; L678-T681 PolarHBondContact O-N 3.5Å; V679-T681 VanDerWaalsContact C-N 3.33Å; T681-K683 PolarHBondContact O-N 3.2Å; T681-K684 WeakPolarHBondContact O-CB 3.5Å; T681-K684 PolarHBondContact O-N 3.36Å; T681-K684 VanDerWaalsContact O-N 3.12Å; T681-V685 WeakPolarHBondContact O-CG2 3.37Å; T681-V685 PolarHBondContact O-N 3.23Å; T681-L767 HydrophobicContact CG2-CG 4.24Å; T681-L767 WeakPolarHBondContact OG1-CD2 3.03Å; T681-K768 HydrophobicContact CG2-CB 4.46Å; T681-A771 HydrophobicContact CG2-CB 3.53Å
682	F	96.8	Very high	95.2	Very high	5 Å²	5	47.9 Å²	47.9	2%	0.022	25%	0.254	C	S	.	.	H	α-helix	trans	-57.2	-49.6	175.3	-73	-31.8	0	0	0	111.3	W663 L678 V679 K684 V685 A686 M693 A771 I774 L775	W663-F682 AromaticContact CH2-CD2 3.9Å; W663-F682 HydrophobicContact CH2-CD2 3.9Å; W663-F682 HydrophobicContact CH2-CE2 4.19Å; W663-F682 HydrophobicContact CZ3-CE2 4.47Å; L678-F682 HydrophobicContact CD1-CD1 4.24Å; L678-F682 HydrophobicContact CD1-CE1 3.71Å; L678-F682 HydrophobicContact CD1-CE2 4.02Å; L678-F682 HydrophobicContact CD1-CZ 3.58Å; L678-F682 HydrophobicContact CD2-CE2 3.95Å; L678-F682 HydrophobicContact CD2-CZ 3.98Å; L678-F682 HydrophobicContact CG-CD2 4.15Å; L678-F682 HydrophobicContact CG-CE1 4.29Å; L678-F682 HydrophobicContact CG-CE2 3.66Å; L678-F682 HydrophobicContact CG-CZ 3.74Å; L678-F682 WeakPolarHBondContact O-CG 3.44Å; L678-F682 PolarHBondContact O-N 3.32Å; V679-F682 PolarHBondContact O-N 3.42Å; F682-K684 PolarHBondContact O-N 2.86Å; F682-V685 PolarHBondContact O-N 3.34Å; F682-A686 VanDerWaalsContact O-CB 3.26Å; F682-A686 WeakPolarHBondContact O-CB 3.33Å; F682-A686 PolarHBondContact O-N 2.99Å; F682-M693 HydrophobicContact CB-CE 4.16Å; F682-M693 HydrophobicContact CB-SD 3.69Å; F682-M693 HydrophobicContact CD2-SD 4.41Å; F682-M693 HydrophobicContact CG-CE 4.47Å; F682-M693 HydrophobicContact CG-SD 4.4Å; F682-A771 HydrophobicContact CD1-CB 3.8Å; F682-A771 HydrophobicContact CE1-CB 3.91Å; F682-I774 HydrophobicContact CE1-CB 4.09Å; F682-I774 HydrophobicContact CE1-CG2 4.01Å; F682-I774 HydrophobicContact CZ-CB 4.28Å; F682-I774 HydrophobicContact CZ-CG2 3.73Å; F682-L775 HydrophobicContact CB-CD1 4.42Å; F682-L775 HydrophobicContact CB-CD2 4.29Å; F682-L775 HydrophobicContact CD1-CD1 4.07Å; F682-L775 HydrophobicContact CD1-CD2 3.4Å; F682-L775 VanDerWaalsContact CD1-CD2 3.4Å; F682-L775 HydrophobicContact CD1-CG 3.58Å; F682-L775 HydrophobicContact CD2-CD2 4.35Å; F682-L775 HydrophobicContact CE1-CD2 3.64Å; F682-L775 HydrophobicContact CE1-CG 3.92Å; F682-L775 HydrophobicContact CG-CD2 3.8Å; F682-L775 HydrophobicContact CG-CG 4.34Å; F682-L775 HydrophobicContact CZ-CD2 4.22Å
683	K	94	Very high	95.1	Very high	115 Å²	115	48.1 Å²	48.1	50%	0.5	25%	0.25	S	S	.	.	H	α-helix	trans	-53.1	-39	175.4	-71.8	178.8	176.7	-175.6	0	112.6	V679 T681 V685	V679-K683 WeakPolarHBondContact O-CG 3.5Å; V679-K683 PolarHBondContact O-N 2.89Å; V679-K683 VanDerWaalsContact O-N 3.12Å; T681-K683 PolarHBondContact O-N 3.2Å; K683-V685 PolarHBondContact O-N 2.8Å
684	K	94	Very high	95.1	Very high	150 Å²	150	44 Å²	44	65%	0.652	23%	0.234	S	C	*	.	H	α-helix	trans	-74.6	-15.1	179.3	-67.4	165.2	-176	169.5	0	114.7	S680 T681 F682	S680-K684 WeakPolarHBondContact O-CD 3.25Å; S680-K684 VanDerWaalsContact O-CG 3.31Å; S680-K684 WeakPolarHBondContact O-CG 3.35Å; S680-K684 PolarHBondContact O-N 3.23Å; S680-K684 PolarHBondContact OG-NZ 3.24Å; T681-K684 WeakPolarHBondContact O-CB 3.5Å; T681-K684 PolarHBondContact O-N 3.36Å; T681-K684 VanDerWaalsContact O-N 3.12Å; F682-K684 PolarHBondContact O-N 2.86Å
685	V	95.2	Very high	95	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.018	26%	0.255	C	S	.	.	H	α-helix	trans	-125.2	-9.1	-176.4	-53.7	0	0	0	0	115.1	T681 F682 K683 I689 K768 A771 Q772 L775	T681-V685 WeakPolarHBondContact O-CG2 3.37Å; T681-V685 PolarHBondContact O-N 3.23Å; F682-V685 PolarHBondContact O-N 3.34Å; K683-V685 PolarHBondContact O-N 2.8Å; V685-I689 WeakPolarHBondContact O-CD1 3.29Å; V685-K768 HydrophobicContact CG1-CD 4.46Å; V685-K768 HydrophobicContact CG1-CG 3.77Å; V685-A771 HydrophobicContact CG2-CB 4.36Å; V685-Q772 HydrophobicContact CB-CG 3.73Å; V685-Q772 HydrophobicContact CG1-CG 4Å; V685-Q772 HydrophobicContact CG2-CG 3.83Å; V685-L775 HydrophobicContact CG2-CD1 3.84Å
686	A	95.1	Very high	95	Very high	4 Å²	4	50.5 Å²	50.5	3%	0.033	26%	0.257	C	S	.	.	H	α-helix	trans	-71.1	-36.8	-179.4	0	0	0	0	0	112.9	F682 I689 G690 V691 L775	F682-A686 VanDerWaalsContact O-CB 3.26Å; F682-A686 WeakPolarHBondContact O-CB 3.33Å; F682-A686 PolarHBondContact O-N 2.99Å; A686-I689 PolarHBondContact O-N 2.75Å; A686-G690 PolarHBondContact O-N 2.9Å; A686-V691 CarbonylContact C-O 3.57Å; A686-V691 HydrophobicContact CB-CB 4.2Å; A686-V691 VanDerWaalsContact CB-O 3.23Å; A686-V691 WeakPolarHBondContact CB-O 3.16Å; A686-V691 PolarHBondContact O-N 2.91Å; A686-L775 HydrophobicContact CB-CD1 3.57Å
687	G	93.1	Very high	95.1	Very high	55 Å²	55	48.9 Å²	48.9	57%	0.567	25%	0.251	S	S	*	.	H	α-helix	trans	-53.7	-59	-178.8	0	0	0	0	0	114.1	I689 G690	G687-I689 PolarHBondContact O-N 3Å; G687-I689 VanDerWaalsContact O-N 3.15Å; G687-G690 PolarHBondContact O-N 3.12Å
688	P	90.9	Very high	95.2	Very high	61 Å²	61	49.7 Å²	49.7	40%	0.396	25%	0.251	S	S	.	.	H	α-helix	trans	-59.8	-23.5	178.3	-26.5	35.8	0	0	0	115	R651 D652	R651-P688 CarbonylContact C-O 3.57Å; D652-P688 CarbonylContact C-O 3.57Å
689	I	92.8	Very high	95.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-82	-20.7	177.8	-61	172.3	0	0	0	111.2	S654 S657 V685 A686 G687 V691 Q772 L775 L776	S654-I689 PolarHBondContact N-O 3.4Å; S654-I689 PolarHBondContact OG-O 3.43Å; S657-I689 PolarHBondContact OG-O 3.45Å; V685-I689 WeakPolarHBondContact O-CD1 3.29Å; A686-I689 PolarHBondContact O-N 2.75Å; G687-I689 PolarHBondContact O-N 3Å; G687-I689 VanDerWaalsContact O-N 3.15Å; I689-V691 HydrophobicContact CG2-CG2 4.09Å; I689-Q772 HydrophobicContact CD1-CG 4.48Å; I689-L775 HydrophobicContact CD1-CB 4.17Å; I689-L775 HydrophobicContact CD1-CD1 4.44Å; I689-L776 HydrophobicContact CD1-CD2 4.45Å; I689-L776 HydrophobicContact CD1-CG 4.45Å; I689-L776 HydrophobicContact CG2-CD2 3.64Å
690	G	93.4	Very high	95.2	Very high	21 Å²	21	55.1 Å²	55.1	22%	0.216	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	100.8	-4.1	-174.8	0	0	0	0	0	115.2	S657 A686 G687 R692	S657-G690 VanDerWaalsContact CB-C 3.47Å; S657-G690 WeakPolarHBondContact CB-O 3.34Å; A686-G690 PolarHBondContact O-N 2.9Å; G687-G690 PolarHBondContact O-N 3.12Å; G690-R692 PolarHBondContact O-N 2.69Å
691	V	94.3	Very high	95.2	Very high	8 Å²	8	53.4 Å²	53.4	5%	0.048	27%	0.265	C	S	.	.			trans	-82	104.6	-174.2	179	0	0	0	0	109.9	A686 I689 M693 N779	A686-V691 CarbonylContact C-O 3.57Å; A686-V691 HydrophobicContact CB-CB 4.2Å; A686-V691 VanDerWaalsContact CB-O 3.23Å; A686-V691 WeakPolarHBondContact CB-O 3.16Å; A686-V691 PolarHBondContact O-N 2.91Å; I689-V691 HydrophobicContact CG2-CG2 4.09Å; V691-M693 HydrophobicContact CG1-CE 4.35Å; V691-N779 HydrophobicContact CG2-CB 4.2Å
692	R	94.6	Very high	95	Very high	183 Å²	183	62.4 Å²	62.4	69%	0.691	30%	0.297	S	S	*	.			trans	-69.1	131.3	164.8	-63.5	-163.6	-63.7	-99.4	5.5	109	P659 L660 G690	P659-R692 HydrophobicContact CB-CB 4.37Å; L660-R692 PolarHBondContact N-O 3.45Å; G690-R692 PolarHBondContact O-N 2.69Å
693	M	93.4	Very high	94.8	Very high	36 Å²	36	63.9 Å²	63.9	18%	0.177	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-137.6	119.8	-172.8	179.6	174.8	-65.1	0	0	111.8	L660 W663 F682 V691 L775	L660-M693 HydrophobicContact CD2-CE 3.75Å; L660-M693 HydrophobicContact CD2-CG 4.42Å; W663-M693 HydrophobicContact CH2-SD 4.2Å; W663-M693 HydrophobicContact CZ2-CE 4.39Å; W663-M693 HydrophobicContact CZ2-CG 3.95Å; W663-M693 HydrophobicContact CZ2-SD 3.52Å; W663-M693 VanDerWaalsContact CZ2-SD 3.52Å; F682-M693 HydrophobicContact CB-CE 4.16Å; F682-M693 HydrophobicContact CB-SD 3.69Å; F682-M693 HydrophobicContact CD2-SD 4.41Å; F682-M693 HydrophobicContact CG-CE 4.47Å; F682-M693 HydrophobicContact CG-SD 4.4Å; V691-M693 HydrophobicContact CG1-CE 4.35Å; M693-L775 HydrophobicContact CE-CD1 4.45Å; M693-L775 HydrophobicContact CE-CD2 3.46Å; M693-L775 VanDerWaalsContact CE-CD2 3.46Å
694	A	95.8	Very high	94.7	Very high	39 Å²	39	60.6 Å²	60.6	32%	0.322	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-79	172.8	171.2	0	0	0	0	0	112	L660 N661 W663	L660-A694 PolarHBondContact O-N 3.08Å; N661-A694 VanDerWaalsContact O-CB 3.25Å; N661-A694 WeakPolarHBondContact O-CB 3.23Å; W663-A694 PolarHBondContact NE1-O 3.36Å
695	R	95.4	Very high	94.7	Very high	176 Å²	176	61.5 Å²	61.5	66%	0.664	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-66.8	130.4	173.7	-172.3	179.5	-171.4	164.3	3.5	109.4
696	P	97.3	Very high	94.7	Very high	8 Å²	8	62.5 Å²	62.5	5%	0.052	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-68.5	149.5	175.2	24.9	-31	0	0	0	111.8	W663 I665 V679 R698	W663-P696 HydrophobicContact CD2-CB 3.71Å; W663-P696 HydrophobicContact CE3-CB 3.91Å; W663-P696 HydrophobicContact CG-CB 4.37Å; W663-P696 HydrophobicContact CH2-CB 3.85Å; W663-P696 HydrophobicContact CH2-CG 3.85Å; W663-P696 HydrophobicContact CZ2-CB 3.63Å; W663-P696 HydrophobicContact CZ2-CG 3.64Å; W663-P696 HydrophobicContact CZ3-CB 3.97Å; W663-P696 HydrophobicContact CZ3-CG 4.4Å; W663-P696 CarbonylContact O-C 3.21Å; W663-P696 WeakPolarHBondContact O-CA 3.27Å; I665-P696 HydrophobicContact CG2-CB 4.03Å; I665-P696 HydrophobicContact CG2-CG 4.19Å; V679-P696 HydrophobicContact CG1-CG 3.82Å; V679-P696 HydrophobicContact CG2-CG 3.78Å; P696-R698 HydrophobicContact CG-CG 4.44Å; P696-R698 PolarHBondContact O-N 3.02Å
697	I	97.8	Very high	94.7	Very high	53 Å²	53	67.7 Å²	67.7	27%	0.272	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	127.5	154.5	-56.3	173.3	0	0	0	106.9	I662 W663 A664 I665 V699 E720 L723	I662-I697 HydrophobicContact CG2-CD1 4.39Å; W663-I697 PolarHBondContact O-N 3.4Å; A664-I697 CarbonylContact C-O 3.59Å; A664-I697 VanDerWaalsContact CA-O 3.31Å; A664-I697 WeakPolarHBondContact CA-O 3.17Å; A664-I697 HydrophobicContact CB-CB 4.1Å; I665-I697 PolarHBondContact N-O 2.89Å; I697-V699 HydrophobicContact CG2-CG2 4.06Å; I697-E720 HydrophobicContact CD1-CG 3.95Å; I697-L723 HydrophobicContact CD1-CD1 4.43Å
698	R	97.3	Very high	94.9	Very high	71 Å²	71	65.5 Å²	65.5	27%	0.268	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	120.6	-179	-70.3	177.6	179.8	173.8	-7.6	109	I665 Y667 E676 P696	I665-R698 HydrophobicContact CG2-CG 3.93Å; Y667-R698 HydrophobicContact CE1-CB 4.08Å; Y667-R698 HydrophobicContact CE1-CG 4.46Å; E676-R698 IonicContact OE1-CZ 3.5Å; E676-R698 IonicContact OE1-NH1 3.25Å; E676-R698 IonicContact OE1-NH2 3.25Å; E676-R698 PolarHBondContact OE1-NH2 3.08Å; E676-R698 IonicContact OE2-CZ 2.63Å; E676-R698 IonicContact OE2-NH1 3.13Å; E676-R698 PolarHBondContact OE2-NH1 2.83Å; E676-R698 IonicContact OE2-NH2 2.94Å; E676-R698 PolarHBondContact OE2-NH2 2.72Å; P696-R698 HydrophobicContact CG-CG 4.44Å; P696-R698 PolarHBondContact O-N 3.02Å
699	V	97.8	Very high	95.2	Very high	11 Å²	11	62.6 Å²	62.6	7%	0.067	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	97.3	-177	-171	0	0	0	0	108.5	I665 F666 Y667 I697 L701 H716	I665-V699 PolarHBondContact O-N 3.01Å; F666-V699 WeakPolarHBondContact CA-O 3.43Å; F666-V699 HydrophobicContact CD1-CB 3.48Å; F666-V699 VanDerWaalsContact CD1-CB 3.48Å; F666-V699 HydrophobicContact CD1-CG1 3.59Å; F666-V699 HydrophobicContact CD1-CG2 3.97Å; F666-V699 HydrophobicContact CE1-CB 3.67Å; F666-V699 HydrophobicContact CE1-CG1 3.68Å; F666-V699 HydrophobicContact CE1-CG2 3.65Å; F666-V699 HydrophobicContact CG-CB 4.15Å; F666-V699 HydrophobicContact CZ-CB 4.46Å; F666-V699 HydrophobicContact CZ-CG2 4.04Å; Y667-V699 PolarHBondContact N-O 3.26Å; Y667-V699 VanDerWaalsContact N-O 3.16Å; I697-V699 HydrophobicContact CG2-CG2 4.06Å; V699-L701 HydrophobicContact CG1-CD2 4.26Å; V699-H716 WeakPolarHBondContact CG2-NE2 3.3Å
700	E	97.6	Very high	95.4	Very high	104 Å²	104	64.6 Å²	64.6	49%	0.486	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	135.3	173.5	-166.8	170	132.1	0	0	110.4	Y667 S669	Y667-E700 HydrophobicContact CD2-CG 4.35Å; Y667-E700 HydrophobicContact CE2-CB 3.96Å; Y667-E700 HydrophobicContact CE2-CG 3.86Å; Y667-E700 CarbonylContact O-C 3.51Å; Y667-E700 WeakPolarHBondContact O-CA 3.36Å; S669-E700 WeakPolarHBondContact CA-OE1 3.43Å; S669-E700 WeakPolarHBondContact CB-OE1 3.36Å; S669-E700 WeakPolarHBondContact OG-CG 3.31Å; S669-E700 PolarHBondContact OG-OE1 3.28Å
701	L	96.7	Very high	95.5	Very high	2 Å²	2	71 Å²	71	1%	0.01	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120.6	-177.7	-57.4	177.6	0	0	0	109.9	F666 Y667 P668 S669 V699 D703 T708 Y709 S712	F666-L701 HydrophobicContact CB-CD1 4.33Å; F666-L701 HydrophobicContact CD1-CD2 4.43Å; Y667-L701 PolarHBondContact O-N 2.99Å; P668-L701 WeakPolarHBondContact CA-O 3.32Å; S669-L701 PolarHBondContact N-O 2.88Å; V699-L701 HydrophobicContact CG1-CD2 4.26Å; L701-D703 PolarHBondContact O-N 3.44Å; L701-D703 VanDerWaalsContact O-N 3.09Å; L701-T708 HydrophobicContact CB-CG2 4.45Å; L701-T708 HydrophobicContact CD2-CG2 4.45Å; L701-Y709 HydrophobicContact CD1-CD1 3.42Å; L701-Y709 VanDerWaalsContact CD1-CD1 3.42Å; L701-Y709 HydrophobicContact CD1-CD2 3.8Å; L701-Y709 HydrophobicContact CD1-CE1 3.43Å; L701-Y709 VanDerWaalsContact CD1-CE1 3.43Å; L701-Y709 HydrophobicContact CD1-CE2 3.8Å; L701-Y709 HydrophobicContact CD1-CG 3.61Å; L701-S712 WeakPolarHBondContact CD2-OG 3.12Å
702	R	92.7	Very high	95.7	Very high	205 Å²	205	72.1 Å²	72.1	77%	0.774	32%	0.319	S	S	*	.	S	Bend	trans	-53.7	-26.6	177.3	72.2	-179.8	-168.4	-166	-4.7	114.4	T708	R702-T708 HydrophobicContact CG-CG2 4.13Å; R702-T708 PolarHBondContact NH2-OG1 3.31Å
703	D	91.2	Very high	95.8	Very high	36 Å²	36	63.4 Å²	63.4	19%	0.193	29%	0.287	C	S	.	.	S	Bend	trans	-155.3	166.4	-176.2	71.9	62	0	0	0	110.6	L701 R705 T708	L701-D703 PolarHBondContact O-N 3.44Å; L701-D703 VanDerWaalsContact O-N 3.09Å; D703-R705 WeakPolarHBondContact OD1-CA 3.36Å; D703-R705 WeakPolarHBondContact OD1-CB 3.2Å; D703-R705 WeakPolarHBondContact OD1-CG 3.35Å; D703-R705 PolarHBondContact OD1-N 3.11Å; D703-T708 WeakPolarHBondContact OD1-CB 3.41Å; D703-T708 PolarHBondContact OD1-OG1 3.41Å; D703-T708 PolarHBondContact OD2-OG1 3.28Å
704	E	91.6	Very high	95.9	Very high	47 Å²	47	66.1 Å²	66.1	22%	0.22	30%	0.299	C	S	.	.			trans	-92.9	8.4	-178.2	-82.6	167.5	-140.9	0	0	114.5	P668 R670 R734	P668-E704 HydrophobicContact CB-CG 3.84Å; P668-E704 HydrophobicContact CG-CG 3.41Å; P668-E704 VanDerWaalsContact CG-CG 3.41Å; R670-E704 IonicContact CZ-OE1 3.41Å; R670-E704 IonicContact CZ-OE2 3.17Å; R670-E704 IonicContact NE-OE1 3.07Å; R670-E704 PolarHBondContact NE-OE1 2.82Å; R670-E704 IonicContact NH2-OE1 2.66Å; R670-E704 PolarHBondContact NH2-OE1 2.85Å; R670-E704 IonicContact NH2-OE2 2.62Å; R670-E704 PolarHBondContact NH2-OE2 3.06Å; E704-R734 PolarHBondContact O-NH1 3.3Å
705	R	93.9	Very high	96	Very high	169 Å²	169	67.8 Å²	67.8	64%	0.638	31%	0.308	S	S	*	.			trans	-68.8	147.5	-174.8	-57.7	176.8	-179.5	-165.1	1.9	111.2	D703 E707 T708 Y709	D703-R705 WeakPolarHBondContact OD1-CA 3.36Å; D703-R705 WeakPolarHBondContact OD1-CB 3.2Å; D703-R705 WeakPolarHBondContact OD1-CG 3.35Å; D703-R705 PolarHBondContact OD1-N 3.11Å; R705-E707 WeakPolarHBondContact CB-OE2 3.28Å; R705-E707 PolarHBondContact O-N 3.06Å; R705-T708 WeakPolarHBondContact O-CB 3.47Å; R705-T708 PolarHBondContact O-N 2.91Å; R705-Y709 PolarHBondContact O-N 3Å
706	T	95.6	Very high	96	Very high	23 Å²	23	61.7 Å²	61.7	14%	0.141	29%	0.287	C	S	.	.	H	α-helix	trans	-62	-36.1	-174.4	-56.5	0	0	0	0	111.6	T708 V710 R734 D736 L737 A740	T706-T708 VanDerWaalsContact C-N 3.3Å; T706-T708 PolarHBondContact O-N 3.06Å; T706-V710 HydrophobicContact CG2-CG2 4.45Å; T706-V710 WeakPolarHBondContact O-CB 3.37Å; T706-V710 VanDerWaalsContact O-CG2 3.28Å; T706-V710 WeakPolarHBondContact O-CG2 3.25Å; T706-V710 PolarHBondContact O-N 2.96Å; T706-R734 PolarHBondContact OG1-NH2 3.48Å; T706-D736 PolarHBondContact OG1-OD2 2.89Å; T706-L737 HydrophobicContact CG2-CD1 4.27Å; T706-A740 HydrophobicContact CG2-CB 3.33Å
707	E	95.9	Very high	95.9	Very high	114 Å²	114	62.8 Å²	62.8	53%	0.533	29%	0.292	S	S	.	.	H	α-helix	trans	-65.2	-35.7	177.3	-55.7	65.4	-136	0	0	111	R705 K711	R705-E707 WeakPolarHBondContact CB-OE2 3.28Å; R705-E707 PolarHBondContact O-N 3.06Å; E707-K711 WeakPolarHBondContact O-CB 3.37Å; E707-K711 WeakPolarHBondContact O-CG 3.21Å; E707-K711 PolarHBondContact O-N 2.7Å
708	T	96.1	Very high	95.7	Very high	8 Å²	8	65 Å²	65	5%	0.049	31%	0.308	C	S	.	.	H	α-helix	trans	-69.5	-47	180	-57.4	0	0	0	0	110.8	L701 R702 D703 R705 T706 S712	L701-T708 HydrophobicContact CB-CG2 4.45Å; L701-T708 HydrophobicContact CD2-CG2 4.45Å; R702-T708 HydrophobicContact CG-CG2 4.13Å; R702-T708 PolarHBondContact NH2-OG1 3.31Å; D703-T708 WeakPolarHBondContact OD1-CB 3.41Å; D703-T708 PolarHBondContact OD1-OG1 3.41Å; D703-T708 PolarHBondContact OD2-OG1 3.28Å; R705-T708 WeakPolarHBondContact O-CB 3.47Å; R705-T708 PolarHBondContact O-N 2.91Å; T706-T708 VanDerWaalsContact C-N 3.3Å; T706-T708 PolarHBondContact O-N 3.06Å; T708-S712 VanDerWaalsContact O-CB 3.32Å; T708-S712 WeakPolarHBondContact O-CB 3.2Å; T708-S712 PolarHBondContact O-N 3.26Å; T708-S712 PolarHBondContact O-OG 3.24Å; T708-S712 VanDerWaalsContact O-OG 3.09Å
709	Y	97.4	Very high	95.6	Very high	1 Å²	1	65.2 Å²	65.2	0%	0.004	32%	0.32	C	S	.	.	H	α-helix	trans	-58.8	-52.1	171.5	-79.5	-101.2	0	0	0	111.4	P668 L701 R705 K711 S712 I713 I729 L737 I741	P668-Y709 WeakPolarHBondContact CD-OH 3.42Å; P668-Y709 VanDerWaalsContact CG-OH 3.32Å; P668-Y709 WeakPolarHBondContact CG-OH 3.45Å; L701-Y709 HydrophobicContact CD1-CD1 3.42Å; L701-Y709 VanDerWaalsContact CD1-CD1 3.42Å; L701-Y709 HydrophobicContact CD1-CD2 3.8Å; L701-Y709 HydrophobicContact CD1-CE1 3.43Å; L701-Y709 VanDerWaalsContact CD1-CE1 3.43Å; L701-Y709 HydrophobicContact CD1-CE2 3.8Å; L701-Y709 HydrophobicContact CD1-CG 3.61Å; R705-Y709 PolarHBondContact O-N 3Å; Y709-K711 PolarHBondContact O-N 3.42Å; Y709-S712 PolarHBondContact O-N 3.45Å; Y709-I713 WeakPolarHBondContact O-CB 3.48Å; Y709-I713 WeakPolarHBondContact O-CD1 3.4Å; Y709-I713 WeakPolarHBondContact O-CG1 3.3Å; Y709-I713 PolarHBondContact O-N 3.4Å; Y709-I729 PolarHBondContact OH-O 3.28Å; Y709-L737 HydrophobicContact CD1-CD1 4.27Å; Y709-L737 HydrophobicContact CD2-CD1 3.62Å; Y709-L737 HydrophobicContact CD2-CD2 4.1Å; Y709-L737 HydrophobicContact CE1-CD2 4.35Å; Y709-L737 HydrophobicContact CE2-CD1 4.17Å; Y709-L737 HydrophobicContact CE2-CD2 3.77Å; Y709-L737 HydrophobicContact CG-CD1 3.67Å; Y709-I741 HydrophobicContact CD1-CD1 4.05Å
710	V	97.1	Very high	95.4	Very high	42 Å²	42	68.3 Å²	68.3	26%	0.255	33%	0.334	S	S	.	.	H	α-helix	trans	-61.8	-43.5	-175.4	168.6	0	0	0	0	111.7	T706 H714 A740 L744	T706-V710 HydrophobicContact CG2-CG2 4.45Å; T706-V710 WeakPolarHBondContact O-CB 3.37Å; T706-V710 VanDerWaalsContact O-CG2 3.28Å; T706-V710 WeakPolarHBondContact O-CG2 3.25Å; T706-V710 PolarHBondContact O-N 2.96Å; V710-H714 WeakPolarHBondContact O-CB 3.24Å; V710-H714 PolarHBondContact O-N 2.88Å; V710-A740 HydrophobicContact CG2-CB 3.88Å; V710-L744 HydrophobicContact CG1-CD2 4.34Å
711	K	96.8	Very high	95.1	Very high	154 Å²	154	68.5 Å²	68.5	67%	0.67	34%	0.344	S	S	*	.	H	α-helix	trans	-67.1	-46.9	177.4	-73.3	177.6	178.3	-171.4	0	111.9	E707 Y709 I713 H714 S715	E707-K711 WeakPolarHBondContact O-CB 3.37Å; E707-K711 WeakPolarHBondContact O-CG 3.21Å; E707-K711 PolarHBondContact O-N 2.7Å; Y709-K711 PolarHBondContact O-N 3.42Å; K711-I713 PolarHBondContact O-N 2.84Å; K711-H714 PolarHBondContact O-N 3.12Å; K711-S715 WeakPolarHBondContact O-CB 3.44Å; K711-S715 PolarHBondContact O-N 2.96Å
712	S	97.3	Very high	94.9	Very high	32 Å²	32	74 Å²	74	22%	0.224	37%	0.374	C	S	.	.	H	α-helix	trans	-63.9	-41.9	179.7	-65.7	0	0	0	0	112.3	L701 T708 Y709 H716	L701-S712 WeakPolarHBondContact CD2-OG 3.12Å; T708-S712 VanDerWaalsContact O-CB 3.32Å; T708-S712 WeakPolarHBondContact O-CB 3.2Å; T708-S712 PolarHBondContact O-N 3.26Å; T708-S712 PolarHBondContact O-OG 3.24Å; T708-S712 VanDerWaalsContact O-OG 3.09Å; Y709-S712 PolarHBondContact O-N 3.45Å; S712-H716 PolarHBondContact O-N 2.91Å; S712-H716 PolarHBondContact O-ND1 2.88Å
713	I	97.4	Very high	95.1	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-65.2	-46.2	176.2	-64.6	162.4	0	0	0	110.4	F666 Y709 K711 S715 H716 L717 V726 I741 L744	F666-I713 HydrophobicContact CD1-CG1 3.72Å; F666-I713 HydrophobicContact CD2-CG1 3.93Å; F666-I713 HydrophobicContact CE1-CB 4.27Å; F666-I713 HydrophobicContact CE1-CG1 3.71Å; F666-I713 HydrophobicContact CE2-CG1 3.91Å; F666-I713 HydrophobicContact CG-CG1 3.85Å; F666-I713 HydrophobicContact CZ-CB 4.21Å; F666-I713 HydrophobicContact CZ-CG1 3.82Å; Y709-I713 WeakPolarHBondContact O-CB 3.48Å; Y709-I713 WeakPolarHBondContact O-CD1 3.4Å; Y709-I713 WeakPolarHBondContact O-CG1 3.3Å; Y709-I713 PolarHBondContact O-N 3.4Å; K711-I713 PolarHBondContact O-N 2.84Å; I713-S715 PolarHBondContact O-N 3.31Å; I713-H716 PolarHBondContact O-N 3.36Å; I713-L717 HydrophobicContact CG2-CD1 3.78Å; I713-L717 HydrophobicContact CG2-CG 4.41Å; I713-L717 VanDerWaalsContact O-CG 3.31Å; I713-L717 WeakPolarHBondContact O-CG 3.47Å; I713-L717 PolarHBondContact O-N 2.7Å; I713-V726 HydrophobicContact CD1-CG1 4.21Å; I713-V726 HydrophobicContact CG1-CG1 4.26Å; I713-V726 HydrophobicContact CG2-CG1 3.99Å; I713-V726 HydrophobicContact CG2-CG2 3.97Å; I713-I741 HydrophobicContact CD1-CG1 4.08Å; I713-I741 HydrophobicContact CD1-CG2 4.39Å; I713-L744 HydrophobicContact CB-CD2 3.81Å; I713-L744 HydrophobicContact CG2-CD2 3.58Å
714	H	96.6	Very high	95.4	Very high	94 Å²	94	65.6 Å²	65.6	44%	0.435	34%	0.343	S	S	.	.	H	α-helix	trans	-62.8	-43.5	179.4	-174.6	41.4	0	0	0	112.1	V710 K711 H716 L717 T718 L744	V710-H714 WeakPolarHBondContact O-CB 3.24Å; V710-H714 PolarHBondContact O-N 2.88Å; K711-H714 PolarHBondContact O-N 3.12Å; H714-H716 VanDerWaalsContact C-N 3.34Å; H714-H716 PolarHBondContact O-N 3.14Å; H714-L717 WeakPolarHBondContact O-CB 3.48Å; H714-L717 PolarHBondContact O-N 3.11Å; H714-L717 VanDerWaalsContact O-N 3.16Å; H714-T718 PolarHBondContact O-N 2.92Å; H714-T718 PolarHBondContact O-OG1 3.41Å; H714-L744 HydrophobicContact CB-CD1 4.26Å; H714-L744 HydrophobicContact CB-CD2 4.29Å
715	S	96.2	Very high	95.7	Very high	73 Å²	73	63.4 Å²	63.4	51%	0.51	33%	0.332	S	S	.	.	H	α-helix	trans	-58.1	-44.1	176.6	-168.1	0	0	0	0	112.2	K711 I713 T718 S719	K711-S715 WeakPolarHBondContact O-CB 3.44Å; K711-S715 PolarHBondContact O-N 2.96Å; I713-S715 PolarHBondContact O-N 3.31Å; S715-T718 PolarHBondContact O-N 3.14Å; S715-S719 PolarHBondContact O-N 3.19Å; S715-S719 PolarHBondContact O-OG 3.27Å
716	H	96.1	Very high	95.9	Very high	49 Å²	49	55.3 Å²	55.3	23%	0.227	30%	0.302	C	S	.	.	H	α-helix	trans	-70.5	-33	177.6	-74.1	80.2	0	0	0	112.4	F666 V699 S712 I713 H714 T718 S719 E720	F666-H716 HydrophobicContact CE1-CB 4.49Å; F666-H716 AromaticContact CE1-ND1 3.91Å; F666-H716 HydrophobicContact CZ-CB 4.05Å; V699-H716 WeakPolarHBondContact CG2-NE2 3.3Å; S712-H716 PolarHBondContact O-N 2.91Å; S712-H716 PolarHBondContact O-ND1 2.88Å; I713-H716 PolarHBondContact O-N 3.36Å; H714-H716 VanDerWaalsContact C-N 3.34Å; H714-H716 PolarHBondContact O-N 3.14Å; H716-T718 PolarHBondContact O-N 3.35Å; H716-S719 PolarHBondContact O-N 3.1Å; H716-S719 PolarHBondContact O-OG 3.22Å; H716-E720 WeakPolarHBondContact O-CB 3.27Å; H716-E720 PolarHBondContact O-N 3.33Å
717	L	94.8	Very high	96	Very high	30 Å²	30	54.3 Å²	54.3	16%	0.157	30%	0.296	C	S	.	.	H	α-helix	trans	-67.2	-23.8	172.1	-72.3	166.4	0	0	0	113	I713 H714 L723 V726 I751	I713-L717 HydrophobicContact CG2-CD1 3.78Å; I713-L717 HydrophobicContact CG2-CG 4.41Å; I713-L717 VanDerWaalsContact O-CG 3.31Å; I713-L717 WeakPolarHBondContact O-CG 3.47Å; I713-L717 PolarHBondContact O-N 2.7Å; H714-L717 WeakPolarHBondContact O-CB 3.48Å; H714-L717 PolarHBondContact O-N 3.11Å; H714-L717 VanDerWaalsContact O-N 3.16Å; L717-L723 HydrophobicContact CD2-CD2 3.83Å; L717-L723 HydrophobicContact CG-CD2 4.41Å; L717-V726 HydrophobicContact CD2-CG2 4.45Å; L717-I751 HydrophobicContact CD1-CG2 4.34Å; L717-I751 HydrophobicContact CD2-CB 4.33Å; L717-I751 HydrophobicContact CD2-CD1 3.58Å; L717-I751 HydrophobicContact CD2-CG2 3.98Å
718	T	94.4	Very high	96.1	Very high	101 Å²	101	48.9 Å²	48.9	62%	0.62	27%	0.27	S	S	*	.	H	α-helix	trans	-85.4	-36.3	174.8	-58.2	0	0	0	0	112.4	H714 S715 H716	H714-T718 PolarHBondContact O-N 2.92Å; H714-T718 PolarHBondContact O-OG1 3.41Å; S715-T718 PolarHBondContact O-N 3.14Å; H716-T718 PolarHBondContact O-N 3.35Å
719	S	94.9	Very high	96.2	Very high	74 Å²	74	48.5 Å²	48.5	52%	0.517	27%	0.268	S	S	.	.	H	α-helix	trans	-80.6	-33.8	177.7	65.5	0	0	0	0	113.7	S715 H716 P721	S715-S719 PolarHBondContact O-N 3.19Å; S715-S719 PolarHBondContact O-OG 3.27Å; H716-S719 PolarHBondContact O-N 3.1Å; H716-S719 PolarHBondContact O-OG 3.22Å; S719-P721 VanDerWaalsContact C-CD 3.5Å; S719-P721 WeakPolarHBondContact O-CD 3.43Å
720	E	93.9	Very high	96.1	Very high	76 Å²	76	49.2 Å²	49.2	36%	0.355	27%	0.272	S	S	.	.			trans	-114.8	76.7	-177.9	-66.6	-66.9	158.6	0	0	110.6	I697 H716 N722 L723	I697-E720 HydrophobicContact CD1-CG 3.95Å; H716-E720 WeakPolarHBondContact O-CB 3.27Å; H716-E720 PolarHBondContact O-N 3.33Å; E720-N722 PolarHBondContact O-N 2.99Å; E720-L723 HydrophobicContact CB-CB 4.37Å; E720-L723 VanDerWaalsContact O-CB 3.28Å; E720-L723 WeakPolarHBondContact O-CB 3.21Å; E720-L723 PolarHBondContact O-N 2.98Å
721	P	90	Very high	95.9	Very high	108 Å²	108	48.7 Å²	48.7	70%	0.701	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-16.6	-176.1	26.4	-35.9	0	0	0	113.6	S719	S719-P721 VanDerWaalsContact C-CD 3.5Å; S719-P721 WeakPolarHBondContact O-CD 3.43Å
722	N	93.8	Very high	95.4	Very high	118 Å²	118	42.2 Å²	42.2	63%	0.631	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	9.1	177.5	-64.9	-51.4	0	0	0	113.8	I662 E720 Q724	I662-N722 HydrophobicContact CD1-CB 3.82Å; E720-N722 PolarHBondContact O-N 2.99Å; N722-Q724 PolarHBondContact O-N 3.18Å
723	L	96.6	Very high	94.9	Very high	16 Å²	16	46.3 Å²	46.3	8%	0.084	27%	0.265	C	S	.	.			trans	-62	124.7	179.7	-169.6	67.3	0	0	0	111.2	I662 A664 I697 L717 E720 V726 I751	I662-L723 HydrophobicContact CG2-CD1 4.05Å; A664-L723 HydrophobicContact CB-CD1 3.91Å; A664-L723 HydrophobicContact CB-CD2 4.21Å; I697-L723 HydrophobicContact CD1-CD1 4.43Å; L717-L723 HydrophobicContact CD2-CD2 3.83Å; L717-L723 HydrophobicContact CG-CD2 4.41Å; E720-L723 HydrophobicContact CB-CB 4.37Å; E720-L723 VanDerWaalsContact O-CB 3.28Å; E720-L723 WeakPolarHBondContact O-CB 3.21Å; E720-L723 PolarHBondContact O-N 2.98Å; L723-V726 HydrophobicContact CD2-CG2 3.88Å; L723-I751 HydrophobicContact CB-CD1 4.03Å; L723-I751 HydrophobicContact CD2-CD1 4.02Å; L723-I751 HydrophobicContact CG-CD1 3.83Å; L723-I751 WeakPolarHBondContact O-CD1 3.39Å
724	Q	96.9	Very high	94.5	Very high	48 Å²	48	49.4 Å²	49.4	22%	0.224	28%	0.276	C	S	.	.			trans	-92.1	-28.4	-175.5	-58.3	173.9	-86.1	0	0	113.5	P659 L660 I662 N722 L782	P659-Q724 PolarHBondContact O-NE2 3.07Å; P659-Q724 PolarHBondContact O-OE1 3.41Å; L660-Q724 HydrophobicContact CD1-CB 4.34Å; I662-Q724 WeakPolarHBondContact O-CB 3.4Å; I662-Q724 PolarHBondContact O-N 3.33Å; N722-Q724 PolarHBondContact O-N 3.18Å; Q724-L782 HydrophobicContact CB-CD2 4.23Å; Q724-L782 WeakPolarHBondContact O-CD2 3.42Å
725	L	98	Very high	94.1	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	134.1	-171.7	-177.4	75.3	0	0	0	112	L660 W663 A664 V727 P752 V778	L660-L725 HydrophobicContact CD1-CB 3.9Å; L660-L725 HydrophobicContact CD1-CD2 4.08Å; L660-L725 HydrophobicContact CD2-CD2 4Å; W663-L725 HydrophobicContact CB-CB 4.05Å; W663-L725 HydrophobicContact CE3-CD2 4.44Å; A664-L725 PolarHBondContact N-O 3.49Å; A664-L725 VanDerWaalsContact N-O 3.07Å; L725-V727 HydrophobicContact CD2-CG2 3.58Å; L725-V727 HydrophobicContact CG-CG2 3.93Å; L725-P752 HydrophobicContact CD1-CB 4.14Å; L725-V778 HydrophobicContact CD1-CG1 4.4Å; L725-V778 HydrophobicContact CD2-CG1 3.58Å; L725-V778 HydrophobicContact CD2-CG2 4.04Å
726	V	98.3	Very high	94	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	118	167.3	166.4	0	0	0	0	109.9	F666 I713 L717 L723 C728 I751 P752 S753 Q754	F666-V726 HydrophobicContact CD2-CG1 3.99Å; F666-V726 HydrophobicContact CE2-CB 4.49Å; F666-V726 HydrophobicContact CE2-CG1 3.92Å; F666-V726 HydrophobicContact CE2-CG2 4.17Å; I713-V726 HydrophobicContact CD1-CG1 4.21Å; I713-V726 HydrophobicContact CG1-CG1 4.26Å; I713-V726 HydrophobicContact CG2-CG1 3.99Å; I713-V726 HydrophobicContact CG2-CG2 3.97Å; L717-V726 HydrophobicContact CD2-CG2 4.45Å; L723-V726 HydrophobicContact CD2-CG2 3.88Å; V726-C728 VanDerWaalsContact CG1-SG 3.56Å; V726-I751 HydrophobicContact CG2-CD1 4.12Å; V726-I751 HydrophobicContact CG2-CG2 4.26Å; V726-P752 PolarHBondContact N-O 3.06Å; V726-S753 CarbonylContact O-C 3.55Å; V726-S753 VanDerWaalsContact O-CA 3.23Å; V726-S753 WeakPolarHBondContact O-CA 3.41Å; V726-Q754 PolarHBondContact O-N 3.48Å
727	V	98.4	Very high	94	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.3	173	-174.4	0	0	0	0	109.3	W663 A664 I665 F666 L725 Q754 I756	W663-V727 HydrophobicContact CE3-CG2 3.82Å; W663-V727 HydrophobicContact CZ3-CG2 3.87Å; A664-V727 PolarHBondContact O-N 3.3Å; I665-V727 CarbonylContact C-O 3.57Å; I665-V727 WeakPolarHBondContact CA-O 3.44Å; I665-V727 HydrophobicContact CB-CB 4.3Å; I665-V727 HydrophobicContact CD1-CG1 4.21Å; I665-V727 HydrophobicContact CG1-CB 4.12Å; I665-V727 HydrophobicContact CG1-CG1 4.05Å; F666-V727 PolarHBondContact N-O 2.73Å; L725-V727 HydrophobicContact CD2-CG2 3.58Å; L725-V727 HydrophobicContact CG-CG2 3.93Å; V727-Q754 CarbonylContact C-O 3.52Å; V727-Q754 WeakPolarHBondContact CA-O 3.4Å; V727-Q754 HydrophobicContact CG1-CB 4.45Å; V727-Q754 HydrophobicContact CG2-CB 4.27Å; V727-I756 HydrophobicContact CG1-CD1 3.65Å; V727-I756 HydrophobicContact CG1-CG1 4.37Å
728	C	98.1	Very high	94	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	116.9	-179.7	-58.9	0	0	0	0	110.7	V726 I741 Q754 I756	V726-C728 VanDerWaalsContact CG1-SG 3.56Å; C728-I741 HydrophobicContact CB-CD1 4Å; C728-Q754 PolarHBondContact N-O 3.33Å; C728-I756 PolarHBondContact O-N 3.02Å
729	I	97.6	Very high	94.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	125.3	167.4	-65.4	172.4	0	0	0	107.9	I665 F666 C671 A675 L678 Y709 I756 V758 I761	I665-I729 HydrophobicContact CD1-CD1 3.99Å; I665-I729 HydrophobicContact CD1-CG1 4.47Å; I665-I729 HydrophobicContact CG1-CD1 4.48Å; F666-I729 PolarHBondContact O-N 3.31Å; C671-I729 HydrophobicContact CB-CG2 4.16Å; A675-I729 HydrophobicContact CB-CD1 3.73Å; L678-I729 HydrophobicContact CD2-CD1 4.49Å; Y709-I729 PolarHBondContact OH-O 3.28Å; I729-I756 CarbonylContact C-O 3.6Å; I729-I756 WeakPolarHBondContact CA-O 3.34Å; I729-V758 HydrophobicContact CG2-CB 4.01Å; I729-V758 HydrophobicContact CG2-CG2 4.23Å; I729-I761 HydrophobicContact CD1-CD1 3.82Å; I729-I761 HydrophobicContact CG1-CD1 4.16Å; I729-I761 HydrophobicContact CG2-CD1 4.4Å
730	M	95.5	Very high	94.2	Very high	16 Å²	16	42.2 Å²	42.2	8%	0.079	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	143.9	-177.9	-52.6	-174.9	-50	0	0	110.3	L737 Y738 I741 A755 I756 N757 V758	M730-L737 HydrophobicContact CB-CD2 4.29Å; M730-L737 HydrophobicContact CG-CD2 4.01Å; M730-L737 HydrophobicContact SD-CD2 4.1Å; M730-L737 HydrophobicContact SD-CG 4.16Å; M730-Y738 HydrophobicContact CE-CD2 4.32Å; M730-I741 HydrophobicContact SD-CD1 4.29Å; M730-A755 HydrophobicContact CE-CB 3.9Å; M730-A755 HydrophobicContact SD-CB 4.15Å; M730-I756 PolarHBondContact N-O 3.04Å; M730-N757 WeakPolarHBondContact O-CA 3.46Å; M730-V758 PolarHBondContact O-N 2.68Å
731	V	92.4	Very high	94.4	Very high	31 Å²	31	38.9 Å²	38.9	19%	0.188	21%	0.213	C	C	.	.			trans	-100.1	131.5	174.5	-168.4	0	0	0	0	110.4	P668 V758	P668-V731 HydrophobicContact CG-CG2 4.42Å; V731-V758 HydrophobicContact CB-CG1 4.35Å; V731-V758 HydrophobicContact CG1-CG1 4.11Å; V731-V758 HydrophobicContact CG2-CG1 4.17Å
732	G	86.9	Confident	94.7	Very high	18 Å²	18	33.9 Å²	33.9	19%	0.186	18%	0.181	C	C	.	.	S	Bend	trans	74.5	-168.6	-177.6	0	0	0	0	0	113.7	N757	G732-N757 PolarHBondContact O-ND2 3.4Å
733	N	85.3	Confident	94.9	Very high	117 Å²	117	31.9 Å²	31.9	63%	0.626	17%	0.167	S	C	*	.			trans	-105.1	95.8	177.5	-67.5	15.8	0	0	0	107.8	N757	N733-N757 PolarHBondContact OD1-ND2 2.98Å; N733-N757 VanDerWaalsContact OD1-ND2 3.08Å
734	R	88.9	Confident	94.9	Very high	65 Å²	65	31.6 Å²	31.6	25%	0.245	17%	0.165	C	C	.	.			trans	-119.1	83.6	-174.2	-76.1	-164.6	63.2	-159.6	-6.3	111.2	E704 T706 D736 L737 Y738	E704-R734 PolarHBondContact O-NH1 3.3Å; T706-R734 PolarHBondContact OG1-NH2 3.48Å; R734-D736 WeakPolarHBondContact CA-OD1 3.45Å; R734-D736 VanDerWaalsContact CB-OD1 3.25Å; R734-D736 WeakPolarHBondContact CB-OD1 3.46Å; R734-D736 IonicContact CZ-OD2 3.77Å; R734-D736 IonicContact NE-OD1 2.77Å; R734-D736 PolarHBondContact NE-OD1 3.35Å; R734-D736 IonicContact NE-OD2 2.75Å; R734-D736 PolarHBondContact NE-OD2 3.47Å; R734-D736 IonicContact NH2-OD1 3.96Å; R734-D736 IonicContact NH2-OD2 3.2Å; R734-D736 PolarHBondContact NH2-OD2 2.97Å; R734-D736 PolarHBondContact O-N 2.83Å; R734-L737 HydrophobicContact CB-CB 3.86Å; R734-L737 PolarHBondContact O-N 3.33Å; R734-Y738 WeakPolarHBondContact O-CB 3.33Å; R734-Y738 PolarHBondContact O-N 2.86Å
735	D	89.9	Confident	94.9	Very high	96 Å²	96	29.3 Å²	29.3	51%	0.513	15%	0.154	S	C	.	.	H	α-helix	trans	-64.6	-25.7	178.2	-63.7	-50.1	0	0	0	112.1	S739 Y1014	D735-S739 WeakPolarHBondContact O-CB 3.35Å; D735-S739 PolarHBondContact O-N 3.37Å; D735-Y1014 HydrophobicContact CB-CE1 4.12Å
736	D	92.8	Very high	94.9	Very high	83 Å²	83	29.3 Å²	29.3	44%	0.444	15%	0.154	S	C	.	.	H	α-helix	trans	-64	-50.3	171.5	66.4	-54.2	0	0	0	111.8	T706 R734 S739 A740	T706-D736 PolarHBondContact OG1-OD2 2.89Å; R734-D736 WeakPolarHBondContact CA-OD1 3.45Å; R734-D736 VanDerWaalsContact CB-OD1 3.25Å; R734-D736 WeakPolarHBondContact CB-OD1 3.46Å; R734-D736 IonicContact CZ-OD2 3.77Å; R734-D736 IonicContact NE-OD1 2.77Å; R734-D736 PolarHBondContact NE-OD1 3.35Å; R734-D736 IonicContact NE-OD2 2.75Å; R734-D736 PolarHBondContact NE-OD2 3.47Å; R734-D736 IonicContact NH2-OD1 3.96Å; R734-D736 IonicContact NH2-OD2 3.2Å; R734-D736 PolarHBondContact NH2-OD2 2.97Å; R734-D736 PolarHBondContact O-N 2.83Å; D736-S739 PolarHBondContact O-N 3.39Å; D736-A740 WeakPolarHBondContact O-CB 3.33Å; D736-A740 PolarHBondContact O-N 3.47Å
737	L	95.7	Very high	94.8	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-66.5	-43.8	177.7	176.9	60.8	0	0	0	111	T706 Y709 M730 R734 A740 I741	T706-L737 HydrophobicContact CG2-CD1 4.27Å; Y709-L737 HydrophobicContact CD1-CD1 4.27Å; Y709-L737 HydrophobicContact CD2-CD1 3.62Å; Y709-L737 HydrophobicContact CD2-CD2 4.1Å; Y709-L737 HydrophobicContact CE1-CD2 4.35Å; Y709-L737 HydrophobicContact CE2-CD1 4.17Å; Y709-L737 HydrophobicContact CE2-CD2 3.77Å; Y709-L737 HydrophobicContact CG-CD1 3.67Å; M730-L737 HydrophobicContact CB-CD2 4.29Å; M730-L737 HydrophobicContact CG-CD2 4.01Å; M730-L737 HydrophobicContact SD-CD2 4.1Å; M730-L737 HydrophobicContact SD-CG 4.16Å; R734-L737 HydrophobicContact CB-CB 3.86Å; R734-L737 PolarHBondContact O-N 3.33Å; L737-A740 PolarHBondContact O-N 3.13Å; L737-I741 HydrophobicContact CD1-CD1 3.79Å; L737-I741 HydrophobicContact CD1-CG1 4.17Å; L737-I741 HydrophobicContact CG-CD1 3.83Å; L737-I741 WeakPolarHBondContact O-CG1 3.43Å; L737-I741 PolarHBondContact O-N 2.84Å
738	Y	96.6	Very high	94.6	Very high	50 Å²	50	39.6 Å²	39.6	20%	0.196	20%	0.203	C	C	.	.	H	α-helix	trans	-61.2	-44.5	176.2	-180	-91.9	0	0	0	111.8	M730 R734 K742 A755 L1010 Y1014	M730-Y738 HydrophobicContact CE-CD2 4.32Å; R734-Y738 WeakPolarHBondContact O-CB 3.33Å; R734-Y738 PolarHBondContact O-N 2.86Å; Y738-K742 HydrophobicContact CD1-CG 4.33Å; Y738-K742 HydrophobicContact CE1-CG 3.93Å; Y738-K742 HydrophobicContact CE2-CG 4.22Å; Y738-K742 WeakPolarHBondContact O-CB 3.45Å; Y738-K742 WeakPolarHBondContact O-CG 3.35Å; Y738-K742 PolarHBondContact O-N 3.14Å; Y738-A755 HydrophobicContact CD2-CB 3.72Å; Y738-A755 HydrophobicContact CE2-CB 3.84Å; Y738-L1010 HydrophobicContact CE1-CD1 4.25Å; Y738-Y1014 AromaticContact CD1-CD1 3.55Å; Y738-Y1014 HydrophobicContact CD1-CD1 3.55Å; Y738-Y1014 HydrophobicContact CD1-CD2 4.27Å; Y738-Y1014 AromaticContact CD1-CE1 3.65Å; Y738-Y1014 HydrophobicContact CD1-CE1 3.65Å; Y738-Y1014 HydrophobicContact CD1-CE2 4.36Å; Y738-Y1014 AromaticContact CD1-CG 3.87Å; Y738-Y1014 HydrophobicContact CD1-CG 3.87Å; Y738-Y1014 AromaticContact CE1-CD1 3.96Å; Y738-Y1014 HydrophobicContact CE1-CD1 3.96Å; Y738-Y1014 AromaticContact CE1-CD2 3.81Å; Y738-Y1014 HydrophobicContact CE1-CD2 3.81Å; Y738-Y1014 HydrophobicContact CE1-CE1 4.08Å; Y738-Y1014 AromaticContact CE1-CE2 3.95Å; Y738-Y1014 HydrophobicContact CE1-CE2 3.95Å; Y738-Y1014 AromaticContact CE1-CG 3.8Å; Y738-Y1014 HydrophobicContact CE1-CG 3.8Å
739	S	95.8	Very high	94.5	Very high	18 Å²	18	40.8 Å²	40.8	13%	0.126	21%	0.211	C	C	.	.	H	α-helix	trans	-59.4	-46.2	173.9	177.8	0	0	0	0	111.6	D735 D736 K742 K743 Y1014	D735-S739 WeakPolarHBondContact O-CB 3.35Å; D735-S739 PolarHBondContact O-N 3.37Å; D736-S739 PolarHBondContact O-N 3.39Å; S739-K742 PolarHBondContact O-N 2.87Å; S739-K743 WeakPolarHBondContact O-CB 3.46Å; S739-K743 VanDerWaalsContact O-CG 3.31Å; S739-K743 WeakPolarHBondContact O-CG 3.5Å; S739-K743 PolarHBondContact O-N 2.81Å; S739-K743 WeakPolarHBondContact OG-CE 3.39Å; S739-Y1014 PolarHBondContact OG-O 2.72Å
740	A	97.1	Very high	94.4	Very high	23 Å²	23	43.5 Å²	43.5	19%	0.19	23%	0.229	C	C	.	.	H	α-helix	trans	-63.4	-47	-179.8	0	0	0	0	0	112.7	T706 V710 D736 L737 K742 K743 L744	T706-A740 HydrophobicContact CG2-CB 3.33Å; V710-A740 HydrophobicContact CG2-CB 3.88Å; D736-A740 WeakPolarHBondContact O-CB 3.33Å; D736-A740 PolarHBondContact O-N 3.47Å; L737-A740 PolarHBondContact O-N 3.13Å; A740-K742 PolarHBondContact O-N 3.33Å; A740-K743 PolarHBondContact O-N 2.91Å; A740-L744 PolarHBondContact O-N 2.83Å
741	I	97.4	Very high	94.4	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.026	23%	0.227	C	C	.	.	H	α-helix	trans	-61.1	-43.9	175.5	-66.5	165.9	0	0	0	110.4	Y709 I713 C728 M730 L737 L744 C745	Y709-I741 HydrophobicContact CD1-CD1 4.05Å; I713-I741 HydrophobicContact CD1-CG1 4.08Å; I713-I741 HydrophobicContact CD1-CG2 4.39Å; C728-I741 HydrophobicContact CB-CD1 4Å; M730-I741 HydrophobicContact SD-CD1 4.29Å; L737-I741 HydrophobicContact CD1-CD1 3.79Å; L737-I741 HydrophobicContact CD1-CG1 4.17Å; L737-I741 HydrophobicContact CG-CD1 3.83Å; L737-I741 WeakPolarHBondContact O-CG1 3.43Å; L737-I741 PolarHBondContact O-N 2.84Å; I741-L744 PolarHBondContact O-N 3.09Å; I741-C745 WeakPolarHBondContact O-CB 3.13Å; I741-C745 PolarHBondContact O-N 3.15Å; I741-C745 PolarHBondContact O-SG 2.86Å; I741-C745 VanDerWaalsContact O-SG 3.32Å
742	K	97.4	Very high	94.7	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.017	22%	0.222	C	C	.	.	H	α-helix	trans	-69.8	-35.8	179.5	-76.4	-69.7	177.6	-168.7	0	113.2	Y738 S739 A740 C746 S753 L1010 L1015	Y738-K742 HydrophobicContact CD1-CG 4.33Å; Y738-K742 HydrophobicContact CE1-CG 3.93Å; Y738-K742 HydrophobicContact CE2-CG 4.22Å; Y738-K742 WeakPolarHBondContact O-CB 3.45Å; Y738-K742 WeakPolarHBondContact O-CG 3.35Å; Y738-K742 PolarHBondContact O-N 3.14Å; S739-K742 PolarHBondContact O-N 2.87Å; A740-K742 PolarHBondContact O-N 3.33Å; K742-C746 WeakPolarHBondContact O-CA 3.17Å; K742-C746 WeakPolarHBondContact O-CB 3.22Å; K742-C746 PolarHBondContact O-N 2.63Å; K742-S753 PolarHBondContact NZ-O 2.87Å; K742-S753 PolarHBondContact NZ-OG 2.91Å; K742-L1010 HydrophobicContact CB-CD1 4.37Å; K742-L1010 HydrophobicContact CD-CD1 4.24Å; K742-L1010 HydrophobicContact CG-CD1 4.14Å; K742-L1015 VanDerWaalsContact C-CD2 3.46Å; K742-L1015 HydrophobicContact CB-CD2 3.83Å; K742-L1015 WeakPolarHBondContact O-CD2 3.25Å
743	K	96.9	Very high	95.2	Very high	76 Å²	76	41.4 Å²	41.4	33%	0.33	21%	0.213	S	C	.	.	H	α-helix	trans	-63.7	-40.8	171.4	-74.3	175.3	-174.4	179.3	0	112.1	S739 A740 V747 K748 Y1014 L1015	S739-K743 WeakPolarHBondContact O-CB 3.46Å; S739-K743 VanDerWaalsContact O-CG 3.31Å; S739-K743 WeakPolarHBondContact O-CG 3.5Å; S739-K743 PolarHBondContact O-N 2.81Å; S739-K743 WeakPolarHBondContact OG-CE 3.39Å; A740-K743 PolarHBondContact O-N 2.91Å; K743-V747 WeakPolarHBondContact O-CB 3.36Å; K743-V747 PolarHBondContact O-N 2.76Å; K743-K748 PolarHBondContact O-N 2.84Å; K743-Y1014 WeakPolarHBondContact CE-O 3.47Å; K743-L1015 WeakPolarHBondContact CE-O 3.44Å; K743-L1015 HydrophobicContact CG-CD2 4.3Å
744	L	97.4	Very high	95.8	Very high	9 Å²	9	36.4 Å²	36.4	5%	0.047	19%	0.186	C	C	.	.	I	π-helix	trans	-60.9	-58.4	173.8	-178.9	62.6	0	0	0	110.6	V710 I713 H714 A740 I741 C746 K748 S749	V710-L744 HydrophobicContact CG1-CD2 4.34Å; I713-L744 HydrophobicContact CB-CD2 3.81Å; I713-L744 HydrophobicContact CG2-CD2 3.58Å; H714-L744 HydrophobicContact CB-CD1 4.26Å; H714-L744 HydrophobicContact CB-CD2 4.29Å; A740-L744 PolarHBondContact O-N 2.83Å; I741-L744 PolarHBondContact O-N 3.09Å; L744-C746 PolarHBondContact O-N 2.9Å; L744-K748 HydrophobicContact CD1-CB 4.29Å; L744-K748 PolarHBondContact O-N 2.78Å; L744-S749 PolarHBondContact O-N 2.98Å
745	C	97.4	Very high	96.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.184	C	C	.	.	I	π-helix	trans	-75.3	-23.1	-171.8	-60.7	0	0	0	0	115.4	I741 S749 P750 I751 S753	I741-C745 WeakPolarHBondContact O-CB 3.13Å; I741-C745 PolarHBondContact O-N 3.15Å; I741-C745 PolarHBondContact O-SG 2.86Å; I741-C745 VanDerWaalsContact O-SG 3.32Å; C745-S749 CarbonylContact C-O 3.53Å; C745-S749 VanDerWaalsContact C-O 3.28Å; C745-S749 WeakPolarHBondContact CA-O 3.35Å; C745-P750 WeakPolarHBondContact O-CA 3.36Å; C745-I751 HydrophobicContact CB-CG2 3.84Å; C745-I751 PolarHBondContact O-N 3.01Å; C745-I751 VanDerWaalsContact O-O 3.07Å; C745-S753 WeakPolarHBondContact CB-OG 3.26Å
746	C	97.3	Very high	96.6	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.007	16%	0.161	C	C	.	.	I	π-helix	trans	-111.3	-9	-175.1	-55.8	0	0	0	0	114.3	K742 L744 L1015 P1019 A1020 L1023 F1028	K742-C746 WeakPolarHBondContact O-CA 3.17Å; K742-C746 WeakPolarHBondContact O-CB 3.22Å; K742-C746 PolarHBondContact O-N 2.63Å; L744-C746 PolarHBondContact O-N 2.9Å; C746-L1015 HydrophobicContact CB-CD1 4.1Å; C746-L1015 HydrophobicContact CB-CD2 4.09Å; C746-P1019 CarbonylContact O-C 3.58Å; C746-P1019 WeakPolarHBondContact O-CA 3.31Å; C746-A1020 PolarHBondContact O-N 2.64Å; C746-L1023 HydrophobicContact CB-CD1 4.25Å; C746-F1028 HydrophobicContact CB-CE2 4.34Å
747	V	96	Very high	96.7	Very high	48 Å²	48	27.8 Å²	27.8	29%	0.291	15%	0.148	S	C	.	.	I	π-helix	trans	-127.2	-48.4	179.3	-170.4	0	0	0	0	111.9	K743 L1015	K743-V747 WeakPolarHBondContact O-CB 3.36Å; K743-V747 PolarHBondContact O-N 2.76Å; V747-L1015 HydrophobicContact CG2-CB 4.47Å; V747-L1015 HydrophobicContact CG2-CD1 4.43Å; V747-L1015 HydrophobicContact CG2-CD2 4.32Å
748	K	94.8	Very high	96.6	Very high	170 Å²	170	28.4 Å²	28.4	74%	0.739	15%	0.152	S	C	*	.	I	π-helix	trans	-85.7	-37.7	-175.4	-66.9	-167.1	172.8	-165.8	0	114.7	K743 L744	K743-K748 PolarHBondContact O-N 2.84Å; L744-K748 HydrophobicContact CD1-CB 4.29Å; L744-K748 PolarHBondContact O-N 2.78Å
749	S	95	Very high	96.4	Very high	25 Å²	25	33.7 Å²	33.7	18%	0.175	17%	0.171	C	C	.	.	S	Bend	trans	-141.6	95.3	-174	-55.6	0	0	0	0	107.5	L744 C745 I751	L744-S749 PolarHBondContact O-N 2.98Å; C745-S749 CarbonylContact C-O 3.53Å; C745-S749 VanDerWaalsContact C-O 3.28Å; C745-S749 WeakPolarHBondContact CA-O 3.35Å; S749-I751 PolarHBondContact O-N 2.82Å
750	P	95.4	Very high	96.2	Very high	57 Å²	57	34.7 Å²	34.7	37%	0.37	18%	0.177	S	C	.	.			trans	-71.8	90.5	-162.8	27.3	-35.4	0	0	0	112.9	C745 A1020 Q1022 L1023	C745-P750 WeakPolarHBondContact O-CA 3.36Å; P750-A1020 HydrophobicContact CB-CB 3.85Å; P750-Q1022 HydrophobicContact CB-CB 4.03Å; P750-Q1022 HydrophobicContact CG-CB 4.11Å; P750-Q1022 HydrophobicContact CG-CG 4.32Å; P750-L1023 HydrophobicContact CB-CD1 4.38Å; P750-L1023 HydrophobicContact CB-CD2 4.45Å; P750-L1023 HydrophobicContact CB-CG 4.04Å
751	I	96.8	Very high	96	Very high	9 Å²	9	33.6 Å²	33.6	5%	0.046	17%	0.168	C	C	.	.			trans	-135.2	138.3	-179.8	-165.9	172.8	0	0	0	111.7	L717 L723 V726 C745 S749 S753	L717-I751 HydrophobicContact CD1-CG2 4.34Å; L717-I751 HydrophobicContact CD2-CB 4.33Å; L717-I751 HydrophobicContact CD2-CD1 3.58Å; L717-I751 HydrophobicContact CD2-CG2 3.98Å; L723-I751 HydrophobicContact CB-CD1 4.03Å; L723-I751 HydrophobicContact CD2-CD1 4.02Å; L723-I751 HydrophobicContact CG-CD1 3.83Å; L723-I751 WeakPolarHBondContact O-CD1 3.39Å; V726-I751 HydrophobicContact CG2-CD1 4.12Å; V726-I751 HydrophobicContact CG2-CG2 4.26Å; C745-I751 HydrophobicContact CB-CG2 3.84Å; C745-I751 PolarHBondContact O-N 3.01Å; C745-I751 VanDerWaalsContact O-O 3.07Å; S749-I751 PolarHBondContact O-N 2.82Å; I751-S753 PolarHBondContact O-N 2.78Å
752	P	97.7	Very high	95.7	Very high	12 Å²	12	36.5 Å²	36.5	8%	0.078	19%	0.188	C	C	.	.			trans	-54.8	138.1	167.9	-28.5	38.3	0	0	0	112.4	L725 V726 K781 L782 L1023 K1026	L725-P752 HydrophobicContact CD1-CB 4.14Å; V726-P752 PolarHBondContact N-O 3.06Å; P752-K781 HydrophobicContact CB-CB 4.29Å; P752-K781 WeakPolarHBondContact CG-O 3.43Å; P752-L782 HydrophobicContact CB-CD2 4.38Å; P752-L782 HydrophobicContact CG-CD2 4.27Å; P752-L1023 HydrophobicContact CG-CD2 4.35Å; P752-K1026 HydrophobicContact CG-CD 4.31Å
753	S	98.1	Very high	95.4	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.007	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	142	-179.6	62.7	0	0	0	0	115.2	V726 K742 C745 I751 K781	V726-S753 CarbonylContact O-C 3.55Å; V726-S753 VanDerWaalsContact O-CA 3.23Å; V726-S753 WeakPolarHBondContact O-CA 3.41Å; K742-S753 PolarHBondContact NZ-O 2.87Å; K742-S753 PolarHBondContact NZ-OG 2.91Å; C745-S753 WeakPolarHBondContact CB-OG 3.26Å; I751-S753 PolarHBondContact O-N 2.78Å; S753-K781 PolarHBondContact O-NZ 3.38Å
754	Q	98.1	Very high	94.9	Very high	12 Å²	12	43 Å²	43	6%	0.056	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	105.3	-175.4	-172.8	60.1	46.4	0	0	111	V726 V727 C728 I756 I774 Q777 V778	V726-Q754 PolarHBondContact O-N 3.48Å; V727-Q754 CarbonylContact C-O 3.52Å; V727-Q754 WeakPolarHBondContact CA-O 3.4Å; V727-Q754 HydrophobicContact CG1-CB 4.45Å; V727-Q754 HydrophobicContact CG2-CB 4.27Å; C728-Q754 PolarHBondContact N-O 3.33Å; Q754-I756 HydrophobicContact CG-CD1 4.36Å; Q754-I756 HydrophobicContact CG-CG1 4.11Å; Q754-I774 HydrophobicContact CG-CG2 3.9Å; Q754-Q777 VanDerWaalsContact CD-OE1 3.28Å; Q754-V778 HydrophobicContact CB-CG2 4.24Å; Q754-V778 HydrophobicContact CG-CG2 4.1Å
755	A	97.3	Very high	94.5	Very high	23 Å²	23	51.6 Å²	51.6	19%	0.19	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	141.5	169.4	0	0	0	0	0	110.4	M730 Y738	M730-A755 HydrophobicContact CE-CB 3.9Å; M730-A755 HydrophobicContact SD-CB 4.15Å; Y738-A755 HydrophobicContact CD2-CB 3.72Å; Y738-A755 HydrophobicContact CE2-CB 3.84Å
756	I	97.1	Very high	94.2	Very high	7 Å²	7	54.7 Å²	54.7	4%	0.036	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	120.3	-179.7	-55.6	177.1	0	0	0	108.1	L678 V727 C728 I729 M730 Q754 I761 I774	L678-I756 HydrophobicContact CD2-CD1 3.59Å; V727-I756 HydrophobicContact CG1-CD1 3.65Å; V727-I756 HydrophobicContact CG1-CG1 4.37Å; C728-I756 PolarHBondContact O-N 3.02Å; I729-I756 CarbonylContact C-O 3.6Å; I729-I756 WeakPolarHBondContact CA-O 3.34Å; M730-I756 PolarHBondContact N-O 3.04Å; Q754-I756 HydrophobicContact CG-CD1 4.36Å; Q754-I756 HydrophobicContact CG-CG1 4.11Å; I756-I761 HydrophobicContact CG2-CD1 4.21Å; I756-I761 HydrophobicContact CG2-CG1 4.41Å; I756-I761 HydrophobicContact CG2-CG2 3.79Å; I756-I774 HydrophobicContact CD1-CD1 4.05Å; I756-I774 HydrophobicContact CD1-CG2 4.35Å; I756-I774 HydrophobicContact CG1-CD1 4.29Å; I756-I774 HydrophobicContact CG2-CD1 4.44Å
757	N	94.6	Very high	94.1	Very high	32 Å²	32	54.7 Å²	54.7	17%	0.171	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	127.3	170.4	-175.2	-40.7	0	0	0	108.8	M730 G732 N733 R759 T760	M730-N757 WeakPolarHBondContact O-CA 3.46Å; G732-N757 PolarHBondContact O-ND2 3.4Å; N733-N757 PolarHBondContact OD1-ND2 2.98Å; N733-N757 VanDerWaalsContact OD1-ND2 3.08Å; N757-R759 PolarHBondContact O-N 3.02Å; N757-R759 VanDerWaalsContact O-N 3.08Å; N757-R759 WeakPolarHBondContact OD1-CB 3.42Å; N757-R759 WeakPolarHBondContact OD1-CG 3.4Å; N757-R759 PolarHBondContact OD1-N 3.4Å; N757-T760 VanDerWaalsContact O-CB 3.24Å; N757-T760 WeakPolarHBondContact O-CB 3.38Å; N757-T760 PolarHBondContact O-N 2.89Å; N757-T760 PolarHBondContact O-OG1 3.16Å; N757-T760 VanDerWaalsContact O-OG1 3.08Å
758	V	94.9	Very high	94	Very high	15 Å²	15	58.7 Å²	58.7	9%	0.091	29%	0.289	C	S	.	.	H	α-helix	trans	-52.8	-36.2	-177	71.5	0	0	0	0	112.4	Q674 I729 M730 V731 T760 I761 S762	Q674-V758 HydrophobicContact CB-CG2 4.43Å; Q674-V758 HydrophobicContact CG-CG2 4.4Å; I729-V758 HydrophobicContact CG2-CB 4.01Å; I729-V758 HydrophobicContact CG2-CG2 4.23Å; M730-V758 PolarHBondContact O-N 2.68Å; V731-V758 HydrophobicContact CB-CG1 4.35Å; V731-V758 HydrophobicContact CG1-CG1 4.11Å; V731-V758 HydrophobicContact CG2-CG1 4.17Å; V758-T760 PolarHBondContact O-N 2.82Å; V758-I761 HydrophobicContact CG2-CG1 4.42Å; V758-I761 WeakPolarHBondContact O-CG1 3.38Å; V758-I761 PolarHBondContact O-N 2.9Å; V758-S762 PolarHBondContact O-N 2.8Å; V758-S762 PolarHBondContact O-OG 3.38Å
759	R	92.3	Very high	94	Very high	161 Å²	161	53.2 Å²	53.2	61%	0.608	27%	0.272	S	S	*	.	H	α-helix	trans	-59.3	-20.6	178.3	-63.4	176.1	171.9	-179.6	-3.7	114.1	N757 Q763	N757-R759 PolarHBondContact O-N 3.02Å; N757-R759 VanDerWaalsContact O-N 3.08Å; N757-R759 WeakPolarHBondContact OD1-CB 3.42Å; N757-R759 WeakPolarHBondContact OD1-CG 3.4Å; N757-R759 PolarHBondContact OD1-N 3.4Å; R759-Q763 PolarHBondContact O-NE2 3.41Å
760	T	90.2	Very high	94	Very high	38 Å²	38	53.3 Å²	53.3	23%	0.233	27%	0.272	C	S	.	.	H	α-helix	trans	-79.3	-29.5	176.9	-42.6	0	0	0	0	111.9	L46 N757 V758 V770	L46-T760 HydrophobicContact CD2-CG2 4.02Å; N757-T760 VanDerWaalsContact O-CB 3.24Å; N757-T760 WeakPolarHBondContact O-CB 3.38Å; N757-T760 PolarHBondContact O-N 2.89Å; N757-T760 PolarHBondContact O-OG1 3.16Å; N757-T760 VanDerWaalsContact O-OG1 3.08Å; V758-T760 PolarHBondContact O-N 2.82Å; T760-V770 HydrophobicContact CG2-CG1 3.85Å; T760-V770 HydrophobicContact CG2-CG2 4.32Å
761	I	93.9	Very high	94.1	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-102.4	-26.2	-177.2	56.8	173.4	0	0	0	113.3	Q674 L678 I729 I756 V758 Q763 L767 V770	Q674-I761 HydrophobicContact CB-CD1 3.89Å; Q674-I761 HydrophobicContact CB-CG1 4.22Å; L678-I761 HydrophobicContact CD1-CG2 4.08Å; L678-I761 HydrophobicContact CD2-CD1 4.26Å; L678-I761 HydrophobicContact CD2-CG2 4.48Å; I729-I761 HydrophobicContact CD1-CD1 3.82Å; I729-I761 HydrophobicContact CG1-CD1 4.16Å; I729-I761 HydrophobicContact CG2-CD1 4.4Å; I756-I761 HydrophobicContact CG2-CD1 4.21Å; I756-I761 HydrophobicContact CG2-CG1 4.41Å; I756-I761 HydrophobicContact CG2-CG2 3.79Å; V758-I761 HydrophobicContact CG2-CG1 4.42Å; V758-I761 WeakPolarHBondContact O-CG1 3.38Å; V758-I761 PolarHBondContact O-N 2.9Å; I761-Q763 PolarHBondContact O-N 3.01Å; I761-L767 HydrophobicContact CB-CD1 3.76Å; I761-L767 HydrophobicContact CG2-CD1 3.8Å; I761-V770 HydrophobicContact CG2-CG1 4.12Å
762	S	91.9	Very high	94.1	Very high	65 Å²	65	51.7 Å²	51.7	46%	0.455	26%	0.259	S	S	.	.	S	Bend	trans	-61	1.5	175	-49.2	0	0	0	0	115.9	V758	V758-S762 PolarHBondContact O-N 2.8Å; V758-S762 PolarHBondContact O-OG 3.38Å
763	Q	89.9	Confident	94	Very high	81 Å²	81	56.3 Å²	56.3	38%	0.379	28%	0.278	S	S	.	.			trans	-107.5	81.7	178.2	-74.1	171.7	61.2	0	0	109.2	R759 I761 M765 K766 L767	R759-Q763 PolarHBondContact O-NE2 3.41Å; I761-Q763 PolarHBondContact O-N 3.01Å; Q763-M765 VanDerWaalsContact C-N 3.3Å; Q763-M765 PolarHBondContact O-N 2.91Å; Q763-M765 VanDerWaalsContact O-N 3.15Å; Q763-K766 HydrophobicContact CB-CB 4.43Å; Q763-K766 HydrophobicContact CB-CD 4.4Å; Q763-K766 WeakPolarHBondContact O-CA 3.45Å; Q763-K766 PolarHBondContact O-N 3.19Å; Q763-L767 PolarHBondContact O-N 2.94Å
764	Q	86.1	Confident	93.9	Very high	137 Å²	137	57.1 Å²	57.1	64%	0.64	28%	0.282	S	S	*	.	H	α-helix	trans	-43.4	-48.5	-176.7	-178.1	163.4	73.8	0	0	113.8	E677 K766 L767	E677-Q764 VanDerWaalsContact OE1-CG 3.31Å; E677-Q764 WeakPolarHBondContact OE1-CG 3.43Å; E677-Q764 PolarHBondContact OE1-NE2 2.86Å; Q764-K766 PolarHBondContact O-N 2.84Å; Q764-L767 WeakPolarHBondContact O-CB 3.28Å; Q764-L767 PolarHBondContact O-N 3.14Å
765	M	89.1	Confident	93.9	Very high	188 Å²	188	56.7 Å²	56.7	93%	0.926	28%	0.28	S	S	*	.	H	α-helix	trans	-57.8	-15.3	176.5	-65.3	-59.1	-71.3	0	0	115.4	Q763	Q763-M765 VanDerWaalsContact C-N 3.3Å; Q763-M765 PolarHBondContact O-N 2.91Å; Q763-M765 VanDerWaalsContact O-N 3.15Å
766	K	91.1	Very high	93.9	Very high	65 Å²	65	55.9 Å²	55.9	28%	0.283	27%	0.272	S	S	.	.	H	α-helix	trans	-113.8	-15.9	176.7	-63.4	174.6	-169.6	160.1	0	113	Q763 Q764 K768 S769 V770	Q763-K766 HydrophobicContact CB-CB 4.43Å; Q763-K766 HydrophobicContact CB-CD 4.4Å; Q763-K766 WeakPolarHBondContact O-CA 3.45Å; Q763-K766 PolarHBondContact O-N 3.19Å; Q764-K766 PolarHBondContact O-N 2.84Å; K766-K768 VanDerWaalsContact C-N 3.29Å; K766-K768 PolarHBondContact O-N 3.49Å; K766-S769 PolarHBondContact O-N 2.91Å; K766-S769 PolarHBondContact O-OG 2.9Å; K766-V770 HydrophobicContact CB-CG2 4.47Å; K766-V770 PolarHBondContact O-N 3.44Å
767	L	94.9	Very high	93.9	Very high	2 Å²	2	57 Å²	57	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-53.3	-43.4	-170.1	180	58.8	0	0	0	112.1	E677 L678 T681 I761 Q763 Q764 S769 V770 A771	E677-L767 HydrophobicContact CB-CD2 4.03Å; E677-L767 HydrophobicContact CG-CD2 3.47Å; E677-L767 VanDerWaalsContact CG-CD2 3.47Å; E677-L767 WeakPolarHBondContact OE2-CD2 3.46Å; L678-L767 HydrophobicContact CD1-CD1 4.03Å; T681-L767 HydrophobicContact CG2-CG 4.24Å; T681-L767 WeakPolarHBondContact OG1-CD2 3.03Å; I761-L767 HydrophobicContact CB-CD1 3.76Å; I761-L767 HydrophobicContact CG2-CD1 3.8Å; Q763-L767 PolarHBondContact O-N 2.94Å; Q764-L767 WeakPolarHBondContact O-CB 3.28Å; Q764-L767 PolarHBondContact O-N 3.14Å; L767-S769 VanDerWaalsContact C-N 3.34Å; L767-S769 PolarHBondContact O-N 3.1Å; L767-V770 PolarHBondContact O-N 3.31Å; L767-V770 VanDerWaalsContact O-N 3.17Å; L767-A771 VanDerWaalsContact O-CB 3.23Å; L767-A771 WeakPolarHBondContact O-CB 3.33Å; L767-A771 PolarHBondContact O-N 2.71Å
768	K	95.3	Very high	94.1	Very high	132 Å²	132	55.7 Å²	55.7	57%	0.574	27%	0.27	S	S	*	.	H	α-helix	trans	-52.9	-48.1	174.6	-168.8	176.3	-178	173.5	0	112.9	T681 V685 K766 Q772	T681-K768 HydrophobicContact CG2-CB 4.46Å; V685-K768 HydrophobicContact CG1-CD 4.46Å; V685-K768 HydrophobicContact CG1-CG 3.77Å; K766-K768 VanDerWaalsContact C-N 3.29Å; K766-K768 PolarHBondContact O-N 3.49Å; K768-Q772 VanDerWaalsContact O-CG 3.29Å; K768-Q772 WeakPolarHBondContact O-CG 3.49Å; K768-Q772 PolarHBondContact O-N 2.73Å; K768-Q772 PolarHBondContact O-OE1 3.02Å
769	S	94.1	Very high	94.2	Very high	55 Å²	55	55 Å²	55	39%	0.385	27%	0.267	S	S	.	.	H	α-helix	trans	-74	-25.5	-179	74	0	0	0	0	114	K766 L767 K773	K766-S769 PolarHBondContact O-N 2.91Å; K766-S769 PolarHBondContact O-OG 2.9Å; L767-S769 VanDerWaalsContact C-N 3.34Å; L767-S769 PolarHBondContact O-N 3.1Å; S769-K773 WeakPolarHBondContact O-CG 3.44Å
770	V	95.7	Very high	94.4	Very high	27 Å²	27	47.4 Å²	47.4	16%	0.164	24%	0.238	C	C	.	.	H	α-helix	trans	-75.2	-49.3	173.1	168.1	0	0	0	0	109.5	T760 I761 K766 L767 Q772 K773 I774	T760-V770 HydrophobicContact CG2-CG1 3.85Å; T760-V770 HydrophobicContact CG2-CG2 4.32Å; I761-V770 HydrophobicContact CG2-CG1 4.12Å; K766-V770 HydrophobicContact CB-CG2 4.47Å; K766-V770 PolarHBondContact O-N 3.44Å; L767-V770 PolarHBondContact O-N 3.31Å; L767-V770 VanDerWaalsContact O-N 3.17Å; V770-Q772 PolarHBondContact O-N 3.41Å; V770-K773 PolarHBondContact O-N 3.12Å; V770-K773 VanDerWaalsContact O-N 3.16Å; V770-I774 HydrophobicContact CG1-CD1 3.69Å; V770-I774 HydrophobicContact CG1-CG1 4.45Å; V770-I774 WeakPolarHBondContact O-CG1 3.32Å; V770-I774 PolarHBondContact O-N 3.25Å
771	A	96.8	Very high	94.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.1	-46.4	178.6	0	0	0	0	0	112	L678 T681 F682 V685 L767 K773 I774 L775	L678-A771 HydrophobicContact CD1-CB 4.22Å; T681-A771 HydrophobicContact CG2-CB 3.53Å; F682-A771 HydrophobicContact CD1-CB 3.8Å; F682-A771 HydrophobicContact CE1-CB 3.91Å; V685-A771 HydrophobicContact CG2-CB 4.36Å; L767-A771 VanDerWaalsContact O-CB 3.23Å; L767-A771 WeakPolarHBondContact O-CB 3.33Å; L767-A771 PolarHBondContact O-N 2.71Å; A771-K773 VanDerWaalsContact C-N 3.32Å; A771-K773 PolarHBondContact O-N 3.08Å; A771-I774 PolarHBondContact O-N 2.94Å; A771-L775 WeakPolarHBondContact O-CG 3.3Å; A771-L775 PolarHBondContact O-N 3.48Å
772	Q	96.2	Very high	94.9	Very high	32 Å²	32	46.6 Å²	46.6	15%	0.15	23%	0.232	C	C	.	.	H	α-helix	trans	-53.5	-46.9	174.1	-77.5	169.7	-42	0	0	112.3	V650 V685 I689 K768 V770 L775 L776	V650-Q772 HydrophobicContact CB-CG 4.29Å; V650-Q772 HydrophobicContact CG1-CB 3.89Å; V650-Q772 HydrophobicContact CG1-CG 4.22Å; V685-Q772 HydrophobicContact CB-CG 3.73Å; V685-Q772 HydrophobicContact CG1-CG 4Å; V685-Q772 HydrophobicContact CG2-CG 3.83Å; I689-Q772 HydrophobicContact CD1-CG 4.48Å; K768-Q772 VanDerWaalsContact O-CG 3.29Å; K768-Q772 WeakPolarHBondContact O-CG 3.49Å; K768-Q772 PolarHBondContact O-N 2.73Å; K768-Q772 PolarHBondContact O-OE1 3.02Å; V770-Q772 PolarHBondContact O-N 3.41Å; Q772-L775 PolarHBondContact O-N 3.34Å; Q772-L776 WeakPolarHBondContact O-CG 3.49Å; Q772-L776 PolarHBondContact O-N 2.92Å
773	K	96.1	Very high	95.1	Very high	109 Å²	109	45 Å²	45	47%	0.474	23%	0.226	S	C	.	.	H	α-helix	trans	-68.8	-35.6	179.2	-69.5	175.6	-178	-176.5	0	112.9	S769 V770 A771 L776 Q777	S769-K773 WeakPolarHBondContact O-CG 3.44Å; V770-K773 PolarHBondContact O-N 3.12Å; V770-K773 VanDerWaalsContact O-N 3.16Å; A771-K773 VanDerWaalsContact C-N 3.32Å; A771-K773 PolarHBondContact O-N 3.08Å; K773-L776 PolarHBondContact O-N 3.32Å; K773-Q777 WeakPolarHBondContact O-CB 3.47Å; K773-Q777 PolarHBondContact O-N 2.79Å
774	I	97.3	Very high	95.4	Very high	18 Å²	18	41.2 Å²	41.2	9%	0.092	21%	0.208	C	C	.	.	H	α-helix	trans	-66.1	-39.1	173.8	-65.3	167.8	0	0	0	110.3	F682 Q754 I756 V770 A771 Q777 V778	F682-I774 HydrophobicContact CE1-CB 4.09Å; F682-I774 HydrophobicContact CE1-CG2 4.01Å; F682-I774 HydrophobicContact CZ-CB 4.28Å; F682-I774 HydrophobicContact CZ-CG2 3.73Å; Q754-I774 HydrophobicContact CG-CG2 3.9Å; I756-I774 HydrophobicContact CD1-CD1 4.05Å; I756-I774 HydrophobicContact CD1-CG2 4.35Å; I756-I774 HydrophobicContact CG1-CD1 4.29Å; I756-I774 HydrophobicContact CG2-CD1 4.44Å; V770-I774 HydrophobicContact CG1-CD1 3.69Å; V770-I774 HydrophobicContact CG1-CG1 4.45Å; V770-I774 WeakPolarHBondContact O-CG1 3.32Å; V770-I774 PolarHBondContact O-N 3.25Å; A771-I774 PolarHBondContact O-N 2.94Å; I774-Q777 PolarHBondContact O-N 2.68Å; I774-V778 HydrophobicContact CG2-CG2 4.19Å; I774-V778 WeakPolarHBondContact O-CB 3.17Å; I774-V778 VanDerWaalsContact O-CG2 3.27Å; I774-V778 WeakPolarHBondContact O-CG2 3.48Å; I774-V778 PolarHBondContact O-N 2.78Å
775	L	96.7	Very high	95.9	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-65.6	-41.8	175.4	-67.9	-167.4	0	0	0	113.2	F682 V685 A686 I689 M693 A771 Q772 Q777 V778 N779	F682-L775 HydrophobicContact CB-CD1 4.42Å; F682-L775 HydrophobicContact CB-CD2 4.29Å; F682-L775 HydrophobicContact CD1-CD1 4.07Å; F682-L775 HydrophobicContact CD1-CD2 3.4Å; F682-L775 VanDerWaalsContact CD1-CD2 3.4Å; F682-L775 HydrophobicContact CD1-CG 3.58Å; F682-L775 HydrophobicContact CD2-CD2 4.35Å; F682-L775 HydrophobicContact CE1-CD2 3.64Å; F682-L775 HydrophobicContact CE1-CG 3.92Å; F682-L775 HydrophobicContact CG-CD2 3.8Å; F682-L775 HydrophobicContact CG-CG 4.34Å; F682-L775 HydrophobicContact CZ-CD2 4.22Å; V685-L775 HydrophobicContact CG2-CD1 3.84Å; A686-L775 HydrophobicContact CB-CD1 3.57Å; I689-L775 HydrophobicContact CD1-CB 4.17Å; I689-L775 HydrophobicContact CD1-CD1 4.44Å; M693-L775 HydrophobicContact CE-CD1 4.45Å; M693-L775 HydrophobicContact CE-CD2 3.46Å; M693-L775 VanDerWaalsContact CE-CD2 3.46Å; A771-L775 WeakPolarHBondContact O-CG 3.3Å; A771-L775 PolarHBondContact O-N 3.48Å; Q772-L775 PolarHBondContact O-N 3.34Å; L775-Q777 VanDerWaalsContact C-N 3.32Å; L775-Q777 PolarHBondContact O-N 3.03Å; L775-V778 PolarHBondContact O-N 3.36Å; L775-N779 WeakPolarHBondContact O-CB 3.43Å; L775-N779 PolarHBondContact O-N 2.88Å
776	L	97.1	Very high	96.2	Very high	6 Å²	6	26.2 Å²	26.2	3%	0.031	14%	0.136	C	C	.	.	H	α-helix	trans	-60.3	-42.5	173.9	-67.5	171.7	0	0	0	111.5	V649 V650 I689 Q772 K773 S780 L786	V649-L776 HydrophobicContact CB-CD1 4.44Å; V649-L776 HydrophobicContact CG2-CD1 3.85Å; V650-L776 HydrophobicContact CG1-CD1 4.05Å; I689-L776 HydrophobicContact CD1-CD2 4.45Å; I689-L776 HydrophobicContact CD1-CG 4.45Å; I689-L776 HydrophobicContact CG2-CD2 3.64Å; Q772-L776 WeakPolarHBondContact O-CG 3.49Å; Q772-L776 PolarHBondContact O-N 2.92Å; K773-L776 PolarHBondContact O-N 3.32Å; L776-S780 PolarHBondContact O-N 2.87Å; L776-S780 VanDerWaalsContact O-N 3.13Å; L776-S780 PolarHBondContact O-OG 2.9Å; L776-L786 HydrophobicContact CB-CD1 3.83Å; L776-L786 HydrophobicContact CD2-CD1 4.01Å; L776-L786 HydrophobicContact CD2-CD2 4.19Å; L776-L786 HydrophobicContact CG-CD1 4.43Å
777	Q	97.8	Very high	96.5	Very high	30 Å²	30	23.1 Å²	23.1	14%	0.14	12%	0.123	C	C	.	.	H	α-helix	trans	-65.1	-41.8	173.6	176.9	167.9	105	0	0	112.2	Q754 K773 I774 L775 S780 K781 N990 L1030	Q754-Q777 VanDerWaalsContact CD-OE1 3.28Å; K773-Q777 WeakPolarHBondContact O-CB 3.47Å; K773-Q777 PolarHBondContact O-N 2.79Å; I774-Q777 PolarHBondContact O-N 2.68Å; L775-Q777 VanDerWaalsContact C-N 3.32Å; L775-Q777 PolarHBondContact O-N 3.03Å; Q777-S780 WeakPolarHBondContact O-CB 3.48Å; Q777-S780 PolarHBondContact O-N 3.43Å; Q777-K781 HydrophobicContact CG-CD 3.98Å; Q777-K781 HydrophobicContact CG-CG 4.48Å; Q777-K781 WeakPolarHBondContact O-CB 3.13Å; Q777-K781 VanDerWaalsContact O-CG 3.26Å; Q777-K781 WeakPolarHBondContact O-CG 3Å; Q777-K781 PolarHBondContact O-N 3.39Å; Q777-N990 PolarHBondContact NE2-ND2 3.33Å; Q777-N990 PolarHBondContact NE2-OD1 3.19Å; Q777-L1030 HydrophobicContact CG-CB 4.18Å; Q777-L1030 PolarHBondContact NE2-O 3.48Å
778	V	97.9	Very high	96.6	Very high	5 Å²	5	24 Å²	24	3%	0.03	13%	0.128	C	C	.	.	H	α-helix	trans	-64.6	-45.1	178.1	162.1	0	0	0	0	111.4	L725 Q754 I774 L775 S780 K781 L782	L725-V778 HydrophobicContact CD1-CG1 4.4Å; L725-V778 HydrophobicContact CD2-CG1 3.58Å; L725-V778 HydrophobicContact CD2-CG2 4.04Å; Q754-V778 HydrophobicContact CB-CG2 4.24Å; Q754-V778 HydrophobicContact CG-CG2 4.1Å; I774-V778 HydrophobicContact CG2-CG2 4.19Å; I774-V778 WeakPolarHBondContact O-CB 3.17Å; I774-V778 VanDerWaalsContact O-CG2 3.27Å; I774-V778 WeakPolarHBondContact O-CG2 3.48Å; I774-V778 PolarHBondContact O-N 2.78Å; L775-V778 PolarHBondContact O-N 3.36Å; V778-S780 VanDerWaalsContact C-N 3.34Å; V778-S780 PolarHBondContact O-N 3.36Å; V778-K781 WeakPolarHBondContact O-CB 3.43Å; V778-K781 PolarHBondContact O-N 2.98Å; V778-K781 VanDerWaalsContact O-N 3.14Å; V778-L782 HydrophobicContact CG1-CD1 3.73Å; V778-L782 WeakPolarHBondContact O-CD1 3.42Å; V778-L782 VanDerWaalsContact O-CG 3.32Å; V778-L782 WeakPolarHBondContact O-CG 3.44Å; V778-L782 PolarHBondContact O-N 2.76Å; V778-L782 VanDerWaalsContact O-N 3.09Å
779	N	97.3	Very high	96.7	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.011	10%	0.101	C	C	.	.	H	α-helix	trans	-59	-46.7	176	-169.9	38	0	0	0	110.9	S656 S657 V658 V691 L775 K781 L782 G783 G784 L786	S656-N779 PolarHBondContact O-ND2 3.02Å; S657-N779 WeakPolarHBondContact CA-OD1 3.17Å; V658-N779 PolarHBondContact N-OD1 3.49Å; V691-N779 HydrophobicContact CG2-CB 4.2Å; L775-N779 WeakPolarHBondContact O-CB 3.43Å; L775-N779 PolarHBondContact O-N 2.88Å; N779-K781 VanDerWaalsContact C-N 3.3Å; N779-K781 PolarHBondContact O-N 2.95Å; N779-L782 PolarHBondContact O-N 3.48Å; N779-L782 VanDerWaalsContact O-N 3.13Å; N779-G783 PolarHBondContact O-N 3.34Å; N779-G784 WeakPolarHBondContact O-CA 3.46Å; N779-G784 PolarHBondContact O-N 3.04Å; N779-L786 HydrophobicContact CB-CD2 4.1Å; N779-L786 WeakPolarHBondContact ND2-CD2 3.41Å
780	S	97	Very high	96.7	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.007	11%	0.112	C	C	.	.	H	α-helix	trans	-57.6	-39.1	174.9	-54.4	0	0	0	0	113.1	L776 Q777 V778 L782 G783	L776-S780 PolarHBondContact O-N 2.87Å; L776-S780 VanDerWaalsContact O-N 3.13Å; L776-S780 PolarHBondContact O-OG 2.9Å; Q777-S780 WeakPolarHBondContact O-CB 3.48Å; Q777-S780 PolarHBondContact O-N 3.43Å; V778-S780 VanDerWaalsContact C-N 3.34Å; V778-S780 PolarHBondContact O-N 3.36Å; S780-L782 VanDerWaalsContact C-N 3.32Å; S780-L782 PolarHBondContact O-N 2.89Å; S780-G783 PolarHBondContact O-N 3.49Å
781	K	98	Very high	96.7	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.009	11%	0.11	C	C	.	.	H	α-helix	trans	-71.2	-23.9	178.8	-78.3	173.9	175	175.8	0	113.9	P752 S753 Q777 V778 N779 L1027 L1030	P752-K781 HydrophobicContact CB-CB 4.29Å; P752-K781 WeakPolarHBondContact CG-O 3.43Å; S753-K781 PolarHBondContact O-NZ 3.38Å; Q777-K781 HydrophobicContact CG-CD 3.98Å; Q777-K781 HydrophobicContact CG-CG 4.48Å; Q777-K781 WeakPolarHBondContact O-CB 3.13Å; Q777-K781 VanDerWaalsContact O-CG 3.26Å; Q777-K781 WeakPolarHBondContact O-CG 3Å; Q777-K781 PolarHBondContact O-N 3.39Å; V778-K781 WeakPolarHBondContact O-CB 3.43Å; V778-K781 PolarHBondContact O-N 2.98Å; V778-K781 VanDerWaalsContact O-N 3.14Å; N779-K781 VanDerWaalsContact C-N 3.3Å; N779-K781 PolarHBondContact O-N 2.95Å; K781-L1027 WeakPolarHBondContact CG-O 3.24Å; K781-L1030 WeakPolarHBondContact CE-OXT 3.31Å; K781-L1030 PolarHBondContact NZ-OXT 3.25Å
782	L	96.8	Very high	96.5	Very high	20 Å²	20	25.9 Å²	25.9	11%	0.105	15%	0.145	C	C	.	.	H	α-helix	trans	-88.5	-11	178.2	-67.6	162.2	0	0	0	112.8	V658 L660 Q724 P752 V778 N779 S780	V658-L782 HydrophobicContact CB-CB 3.88Å; V658-L782 HydrophobicContact CB-CD1 4.42Å; V658-L782 HydrophobicContact CG1-CB 4.02Å; V658-L782 HydrophobicContact CG1-CD1 4.49Å; V658-L782 HydrophobicContact CG2-CB 3.95Å; L660-L782 HydrophobicContact CD1-CD1 3.86Å; Q724-L782 HydrophobicContact CB-CD2 4.23Å; Q724-L782 WeakPolarHBondContact O-CD2 3.42Å; P752-L782 HydrophobicContact CB-CD2 4.38Å; P752-L782 HydrophobicContact CG-CD2 4.27Å; V778-L782 HydrophobicContact CG1-CD1 3.73Å; V778-L782 WeakPolarHBondContact O-CD1 3.42Å; V778-L782 VanDerWaalsContact O-CG 3.32Å; V778-L782 WeakPolarHBondContact O-CG 3.44Å; V778-L782 PolarHBondContact O-N 2.76Å; V778-L782 VanDerWaalsContact O-N 3.09Å; N779-L782 PolarHBondContact O-N 3.48Å; N779-L782 VanDerWaalsContact O-N 3.13Å; S780-L782 VanDerWaalsContact C-N 3.32Å; S780-L782 PolarHBondContact O-N 2.89Å
783	G	95.4	Very high	96.3	Very high	31 Å²	31	26.6 Å²	26.6	32%	0.32	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.2	7.9	-175.6	0	0	0	0	0	114.4	N779 S780	N779-G783 PolarHBondContact O-N 3.34Å; S780-G783 PolarHBondContact O-N 3.49Å
784	G	96.2	Very high	96.1	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.01	16%	0.162	C	C	.	.			trans	-70.7	158	171.3	0	0	0	0	0	112.4	S656 N779 W989	S656-G784 CarbonylContact O-C 3.59Å; S656-G784 WeakPolarHBondContact O-CA 3.2Å; N779-G784 WeakPolarHBondContact O-CA 3.46Å; N779-G784 PolarHBondContact O-N 3.04Å; G784-W989 VanDerWaalsContact O-CZ3 3.25Å; G784-W989 WeakPolarHBondContact O-CZ3 3.23Å
785	E	96.9	Very high	95.9	Very high	10 Å²	10	31.6 Å²	31.6	5%	0.047	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-118.1	116.7	-170.7	-56.8	173.6	-125.9	0	0	109.2	S654 I655 S656 T826 R827 W989	S654-E785 CarbonylContact C-O 3.59Å; S654-E785 WeakPolarHBondContact CB-O 3.46Å; I655-E785 WeakPolarHBondContact CA-O 3.45Å; I655-E785 HydrophobicContact CB-CB 4.08Å; I655-E785 WeakPolarHBondContact CB-O 3.33Å; I655-E785 HydrophobicContact CG2-CB 4.13Å; I655-E785 PolarHBondContact N-O 3.46Å; S656-E785 PolarHBondContact N-O 3.43Å; S656-E785 PolarHBondContact O-N 3.15Å; E785-T826 VanDerWaalsContact OE2-CB 3.25Å; E785-T826 WeakPolarHBondContact OE2-CB 3.2Å; E785-T826 PolarHBondContact OE2-OG1 2.92Å; E785-R827 HydrophobicContact CG-CG 4.34Å; E785-R827 IonicContact OE1-CZ 3.5Å; E785-R827 IonicContact OE1-NE 3.74Å; E785-R827 PolarHBondContact OE1-NE 3.36Å; E785-R827 IonicContact OE1-NH2 2.69Å; E785-R827 PolarHBondContact OE1-NH2 2.96Å; E785-R827 IonicContact OE2-NE 3.73Å; E785-W989 VanDerWaalsContact CA-CH2 3.43Å; E785-W989 HydrophobicContact CB-CH2 3.91Å; E785-W989 HydrophobicContact CB-CZ2 4.37Å; E785-W989 HydrophobicContact CG-CH2 4.19Å
786	L	96.7	Very high	96	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.174	C	C	.	.			trans	-81.7	-69.3	-171.9	-53.5	-165.5	0	0	0	112.4	L632 S654 I655 L776 N779 W989	L632-L786 WeakPolarHBondContact CD2-O 3.4Å; S654-L786 WeakPolarHBondContact CA-O 3.48Å; I655-L786 PolarHBondContact N-O 3.22Å; L776-L786 HydrophobicContact CB-CD1 3.83Å; L776-L786 HydrophobicContact CD2-CD1 4.01Å; L776-L786 HydrophobicContact CD2-CD2 4.19Å; L776-L786 HydrophobicContact CG-CD1 4.43Å; N779-L786 HydrophobicContact CB-CD2 4.1Å; N779-L786 WeakPolarHBondContact ND2-CD2 3.41Å; L786-W989 HydrophobicContact CB-CD2 4Å; L786-W989 HydrophobicContact CB-CG 3.98Å; L786-W989 HydrophobicContact CD1-CB 3.67Å; L786-W989 HydrophobicContact CD1-CD2 4.42Å; L786-W989 HydrophobicContact CD1-CG 3.94Å; L786-W989 HydrophobicContact CG-CB 4.13Å; L786-W989 HydrophobicContact CG-CD2 3.89Å; L786-W989 HydrophobicContact CG-CE3 4.1Å; L786-W989 HydrophobicContact CG-CG 3.9Å
787	W	97.3	Very high	96	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.172	C	C	.	.			trans	-146.1	160.4	-177.4	67.5	82.6	0	0	0	111.2	I630 C631 L632 W645 V649 H986 W989 P992	I630-W787 HydrophobicContact CG2-CB 3.86Å; I630-W787 HydrophobicContact CG2-CG 4.02Å; C631-W787 VanDerWaalsContact O-CA 3.31Å; C631-W787 WeakPolarHBondContact O-CA 3.14Å; C631-W787 WeakPolarHBondContact O-CB 3.37Å; L632-W787 HydrophobicContact CD2-CB 3.66Å; W645-W787 AromaticContact CE2-CE2 3.83Å; W645-W787 AromaticContact CE2-CZ2 3.98Å; W645-W787 AromaticContact CE2-NE1 3.79Å; W645-W787 AromaticContact CZ2-CE2 3.85Å; W645-W787 AromaticContact CZ2-CZ2 3.95Å; W645-W787 HydrophobicContact CZ2-CZ2 3.95Å; W645-W787 AromaticContact CZ2-NE1 3.52Å; W645-W787 AromaticContact NE1-CD2 3.58Å; W645-W787 AromaticContact NE1-CE2 3.22Å; W645-W787 AromaticContact NE1-CH2 3.9Å; W645-W787 AromaticContact NE1-CZ2 3.4Å; W645-W787 AromaticContact NE1-NE1 3.56Å; V649-W787 HydrophobicContact CB-CE3 4.33Å; V649-W787 HydrophobicContact CB-CZ3 4.38Å; V649-W787 HydrophobicContact CG1-CD2 4.2Å; V649-W787 HydrophobicContact CG1-CE3 3.46Å; V649-W787 VanDerWaalsContact CG1-CE3 3.46Å; V649-W787 HydrophobicContact CG1-CZ3 3.84Å; V649-W787 HydrophobicContact CG2-CZ3 4.46Å; W787-H986 PolarHBondContact NE1-O 3.28Å; W787-W989 AromaticContact CD2-CD1 3.73Å; W787-W989 AromaticContact CE2-CD1 3.57Å; W787-W989 HydrophobicContact CH2-CB 4.4Å; W787-W989 WeakPolarHBondContact CH2-O 3.42Å; W787-W989 AromaticContact CZ2-CD1 3.78Å; W787-W989 AromaticContact NE1-CD1 3.99Å; W787-W989 PolarHBondContact O-NE1 3.17Å; W787-P992 HydrophobicContact CH2-CB 3.75Å; W787-P992 HydrophobicContact CZ2-CB 4.41Å; W787-P992 HydrophobicContact CZ3-CB 4.08Å
788	T	97.1	Very high	96.1	Very high	19 Å²	19	29.9 Å²	29.9	12%	0.117	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	179.7	172.6	-163	0	0	0	0	112	C631 I655 S824	C631-T788 HydrophobicContact CB-CG2 4.45Å; C631-T788 PolarHBondContact N-O 3Å; C631-T788 PolarHBondContact O-N 2.76Å; I655-T788 HydrophobicContact CD1-CG2 3.8Å; T788-S824 PolarHBondContact OG1-O 2.91Å
789	V	96.3	Very high	96.1	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.018	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	144.3	171	-59.2	0	0	0	0	109.3	I630 I791 K983 H986 L987	I630-V789 HydrophobicContact CD1-CG1 3.76Å; V789-I791 HydrophobicContact CG2-CD1 3.97Å; V789-I791 HydrophobicContact CG2-CG1 4.25Å; V789-I791 PolarHBondContact O-N 3.09Å; V789-K983 HydrophobicContact CG2-CB 3.79Å; V789-K983 HydrophobicContact CG2-CG 4.09Å; V789-H986 HydrophobicContact CG1-CB 3.85Å; V789-L987 HydrophobicContact CG1-CD2 4.48Å; V789-L987 HydrophobicContact CG2-CD2 4.18Å; V789-L987 HydrophobicContact CG2-CG 4.47Å
790	N	94.3	Very high	96.2	Very high	115 Å²	115	29.6 Å²	29.6	62%	0.615	16%	0.164	S	C	*	.			trans	-62.6	120.1	-176.8	179.8	3.3	0	0	0	111.7	K983	N790-K983 PolarHBondContact O-NZ 3.25Å
791	I	94.9	Very high	96.2	Very high	25 Å²	25	29.6 Å²	29.6	13%	0.128	16%	0.164	C	C	.	.			trans	-125.7	104.6	179.8	-71.5	161.7	0	0	0	108.9	V789 L793 L796 L825 L980 K983 M984 L987	V789-I791 HydrophobicContact CG2-CD1 3.97Å; V789-I791 HydrophobicContact CG2-CG1 4.25Å; V789-I791 PolarHBondContact O-N 3.09Å; I791-L793 HydrophobicContact CG2-CB 4.17Å; I791-L793 HydrophobicContact CG2-CG 4.5Å; I791-L793 PolarHBondContact O-N 3.03Å; I791-L796 HydrophobicContact CG2-CD2 4.11Å; I791-L825 HydrophobicContact CD1-CD1 3.67Å; I791-L825 HydrophobicContact CG2-CD1 4.17Å; I791-L980 HydrophobicContact CG2-CD1 4.15Å; I791-K983 HydrophobicContact CD1-CB 4.25Å; I791-K983 HydrophobicContact CG1-CB 4.29Å; I791-K983 HydrophobicContact CG1-CD 3.75Å; I791-M984 HydrophobicContact CD1-CE 3.33Å; I791-L987 HydrophobicContact CD1-CD1 4.45Å
792	P	92.8	Very high	96.1	Very high	111 Å²	111	29.8 Å²	29.8	72%	0.721	17%	0.165	S	C	*	.			trans	-81.3	42.1	-172.4	34.3	-37.7	0	0	0	113.2
793	L	92	Very high	95.8	Very high	47 Å²	47	29.5 Å²	29.5	25%	0.246	16%	0.164	C	C	.	.			trans	-118.4	99	179.4	-68.8	176.1	0	0	0	109.9	I791 L796 L972 L980	I791-L793 HydrophobicContact CG2-CB 4.17Å; I791-L793 HydrophobicContact CG2-CG 4.5Å; I791-L793 PolarHBondContact O-N 3.03Å; L793-L796 HydrophobicContact CB-CB 4.27Å; L793-L796 HydrophobicContact CB-CD2 3.81Å; L793-L796 HydrophobicContact CD1-CD2 3.91Å; L793-L796 WeakPolarHBondContact O-CB 3.4Å; L793-L972 HydrophobicContact CD2-CD2 4.49Å; L793-L980 HydrophobicContact CD1-CD1 4.45Å; L793-L980 HydrophobicContact CD1-CD2 4.14Å
794	K	91.6	Very high	95.4	Very high	169 Å²	169	29.4 Å²	29.4	74%	0.735	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	146.2	176.3	-63.4	-173.8	179.4	-176.3	0	111.4	L796 K866	K794-L796 VanDerWaalsContact C-N 3.27Å; K794-L796 PolarHBondContact O-N 3.26Å; K794-K866 PolarHBondContact O-NZ 2.85Å
795	N	94.6	Very high	94.7	Very high	63 Å²	63	31.7 Å²	31.7	34%	0.337	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	44.4	172.7	-58.8	-13.7	0	0	0	113.1	P864 E865 K866	N795-P864 CarbonylContact O-C 3.54Å; N795-E865 HydrophobicContact CB-CB 3.99Å; N795-E865 HydrophobicContact CB-CG 3.78Å; N795-E865 PolarHBondContact ND2-OE1 3.35Å; N795-E865 PolarHBondContact O-N 3.4Å; N795-K866 PolarHBondContact O-N 3.49Å; N795-K866 VanDerWaalsContact O-N 3.09Å
796	L	97.4	Very high	93.2	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.016	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	139.3	178.5	174.5	61.4	0	0	0	110.8	I791 L793 K794 V798 L825 Y856 K866 V868 L980	I791-L796 HydrophobicContact CG2-CD2 4.11Å; L793-L796 HydrophobicContact CB-CB 4.27Å; L793-L796 HydrophobicContact CB-CD2 3.81Å; L793-L796 HydrophobicContact CD1-CD2 3.91Å; L793-L796 WeakPolarHBondContact O-CB 3.4Å; K794-L796 VanDerWaalsContact C-N 3.27Å; K794-L796 PolarHBondContact O-N 3.26Å; L796-V798 HydrophobicContact CD1-CG2 4.15Å; L796-V798 HydrophobicContact CD2-CG2 3.88Å; L796-V798 HydrophobicContact CG-CG2 3.91Å; L796-L825 HydrophobicContact CD2-CD1 3.98Å; L796-L825 HydrophobicContact CG-CD2 4.44Å; L796-Y856 WeakPolarHBondContact O-CE2 3.32Å; L796-Y856 PolarHBondContact O-OH 3.19Å; L796-K866 CarbonylContact C-O 3.53Å; L796-K866 WeakPolarHBondContact CA-O 3.48Å; L796-K866 HydrophobicContact CD1-CB 4.03Å; L796-V868 HydrophobicContact CD1-CB 4.39Å; L796-V868 HydrophobicContact CD1-CG2 3.74Å; L796-L980 HydrophobicContact CD2-CD1 4.33Å
797	M	98.6	Very high	91.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.4	159.2	173.2	-174.8	-77.7	0	0	108.4	V799 A819 L849 A852 L853 Y856 P864 K866 I867 V868	M797-V799 HydrophobicContact CG-CG2 3.89Å; M797-V799 HydrophobicContact SD-CG2 3.89Å; M797-A819 HydrophobicContact CG-CB 4.27Å; M797-A819 HydrophobicContact SD-CB 4.1Å; M797-L849 HydrophobicContact SD-CD1 4.25Å; M797-A852 HydrophobicContact CE-CB 4.19Å; M797-A852 WeakPolarHBondContact CE-O 3.29Å; M797-L853 HydrophobicContact CE-CD2 4.3Å; M797-Y856 HydrophobicContact CB-CD2 4.22Å; M797-Y856 HydrophobicContact CB-CE2 4.03Å; M797-Y856 HydrophobicContact CE-CD2 3.57Å; M797-Y856 HydrophobicContact CE-CG 3.97Å; M797-P864 HydrophobicContact CB-CB 3.83Å; M797-P864 HydrophobicContact CB-CG 3.97Å; M797-P864 HydrophobicContact CE-CG 4.12Å; M797-P864 HydrophobicContact SD-CG 4.45Å; M797-K866 PolarHBondContact N-O 3.17Å; M797-I867 HydrophobicContact CB-CG1 4.43Å; M797-I867 CarbonylContact O-C 3.25Å; M797-I867 WeakPolarHBondContact O-CA 3.43Å; M797-V868 PolarHBondContact O-N 2.86Å
798	V	98.8	Very high	89.1	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	130.5	168.3	-170.7	0	0	0	0	109.2	L796 A819 S820 L825 V868 Y870 M984 P1000	L796-V798 HydrophobicContact CD1-CG2 4.15Å; L796-V798 HydrophobicContact CD2-CG2 3.88Å; L796-V798 HydrophobicContact CG-CG2 3.91Å; V798-A819 CarbonylContact O-C 3.47Å; V798-A819 WeakPolarHBondContact O-CA 3.39Å; V798-S820 PolarHBondContact N-OG 2.86Å; V798-S820 PolarHBondContact O-N 3.07Å; V798-S820 PolarHBondContact O-OG 2.78Å; V798-L825 HydrophobicContact CG2-CD1 3.84Å; V798-L825 HydrophobicContact CG2-CD2 4.27Å; V798-V868 CarbonylContact C-O 3.56Å; V798-V868 WeakPolarHBondContact CA-O 3.22Å; V798-Y870 HydrophobicContact CG1-CD2 3.71Å; V798-Y870 HydrophobicContact CG1-CE2 3.67Å; V798-M984 HydrophobicContact CB-SD 4.12Å; V798-M984 HydrophobicContact CG1-CG 4.26Å; V798-M984 HydrophobicContact CG1-SD 3.8Å; V798-M984 HydrophobicContact CG2-CE 4.4Å; V798-M984 HydrophobicContact CG2-SD 4.05Å; V798-P1000 HydrophobicContact CG1-CG 3.93Å
799	V	98.8	Very high	87	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	142.6	-177.6	-174.2	0	0	0	0	109.3	M797 V801 F817 V818 A819 I867 V868 V869 Y870	M797-V799 HydrophobicContact CG-CG2 3.89Å; M797-V799 HydrophobicContact SD-CG2 3.89Å; V799-V801 HydrophobicContact CG1-CG2 4.11Å; V799-F817 HydrophobicContact CG1-CD2 3.92Å; V799-F817 HydrophobicContact CG1-CE1 4.04Å; V799-F817 HydrophobicContact CG1-CE2 3.4Å; V799-F817 HydrophobicContact CG1-CG 4.46Å; V799-F817 HydrophobicContact CG1-CZ 3.46Å; V799-F817 VanDerWaalsContact CG1-CZ 3.46Å; V799-F817 HydrophobicContact CG2-CZ 4.37Å; V799-V818 CarbonylContact C-O 3.5Å; V799-V818 WeakPolarHBondContact CA-O 3.35Å; V799-A819 HydrophobicContact CG1-CB 4.47Å; V799-A819 HydrophobicContact CG2-CB 3.95Å; V799-I867 HydrophobicContact CG2-CG2 4.11Å; V799-V868 PolarHBondContact N-O 2.84Å; V799-V869 HydrophobicContact CB-CB 4.45Å; V799-V869 HydrophobicContact CB-CG1 4.37Å; V799-V869 HydrophobicContact CB-CG2 4.15Å; V799-V869 HydrophobicContact CG1-CG1 4.4Å; V799-V869 HydrophobicContact CG2-CG2 4.41Å; V799-Y870 PolarHBondContact O-N 2.88Å
800	G	98.4	Very high	84.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139.8	171.8	0	0	0	0	0	110.9	V818 Y870 A1004	G800-V818 PolarHBondContact N-O 3.22Å; G800-V818 PolarHBondContact O-N 3.35Å; G800-Y870 CarbonylContact C-O 3.37Å; G800-Y870 WeakPolarHBondContact CA-O 3.41Å; G800-A1004 WeakPolarHBondContact O-CB 3.36Å
801	V	97.8	Very high	83.2	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	132.6	-177.4	-176.6	0	0	0	0	110.3	V799 M815 G816 F817 I842 F845 Y870 D872	V799-V801 HydrophobicContact CG1-CG2 4.11Å; V801-M815 HydrophobicContact CG1-CE 4.09Å; V801-M815 HydrophobicContact CG1-CG 4.2Å; V801-G816 WeakPolarHBondContact CA-O 3.35Å; V801-F817 HydrophobicContact CG2-CD2 3.74Å; V801-F817 HydrophobicContact CG2-CE2 4.38Å; V801-F817 HydrophobicContact CG2-CG 4.48Å; V801-I842 HydrophobicContact CG1-CD1 3.31Å; V801-F845 HydrophobicContact CB-CZ 4.4Å; V801-F845 HydrophobicContact CG1-CZ 4.17Å; V801-F845 HydrophobicContact CG2-CE1 3.76Å; V801-F845 HydrophobicContact CG2-CZ 4.04Å; V801-Y870 PolarHBondContact N-O 3.45Å; V801-D872 PolarHBondContact O-N 3.28Å
802	D	95.3	Very high	82.2	Confident	7 Å²	7	56.8 Å²	56.8	4%	0.037	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	154.2	171.4	-160.9	2.9	0	0	0	109	G816 D872 K911 A1004 H1005	D802-G816 PolarHBondContact N-O 2.62Å; D802-G816 PolarHBondContact O-N 2.97Å; D802-D872 HydrophobicContact CB-CB 4.12Å; D802-K911 IonicContact OD2-NZ 2.7Å; D802-K911 PolarHBondContact OD2-NZ 3.13Å; D802-A1004 HydrophobicContact CB-CB 4.36Å; D802-H1005 HydrophobicContact CB-CB 4.14Å; D802-H1005 VanDerWaalsContact OD2-CB 3.29Å; D802-H1005 WeakPolarHBondContact OD2-CB 3.23Å; D802-H1005 IonicContact OD2-CD2 3.71Å; D802-H1005 PolarHBondContact OD2-CD2 2.93Å; D802-H1005 IonicContact OD2-CG 3.58Å
803	V	91.4	Very high	81.8	Confident	13 Å²	13	51.5 Å²	51.5	8%	0.079	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.7	178.3	-179.1	0	0	0	0	109.1	M815 I842	V803-M815 HydrophobicContact CG2-CB 4.42Å; V803-I842 HydrophobicContact CG2-CD1 3.79Å; V803-I842 HydrophobicContact CG2-CG1 3.85Å
804	H	86	Confident	81.8	Confident	29 Å²	29	49.3 Å²	49.3	13%	0.134	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	138.3	175	-176.6	67.1	0	0	0	110.6	V814 A1008 F1009	H804-V814 PolarHBondContact N-O 3.08Å; H804-V814 PolarHBondContact O-N 3.09Å; H804-A1008 HydrophobicContact CB-CB 3.77Å; H804-F1009 AromaticContact CE1-CD2 3.64Å; H804-F1009 AromaticContact NE2-CD2 3.98Å
805	H	81.3	Confident	81.9	Confident	50 Å²	50	41.3 Å²	41.3	23%	0.231	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	123.2	170.4	-43.7	-80.9	0	0	0	108.7	T807 S813 E839 E840	H805-T807 PolarHBondContact O-N 3.4Å; H805-S813 VanDerWaalsContact ND1-CB 3.35Å; H805-S813 WeakPolarHBondContact ND1-CB 3.33Å; H805-S813 PolarHBondContact ND1-OG 2.81Å; H805-E839 PolarHBondContact CE1-O 3.49Å; H805-E840 IonicContact NE2-OE2 3.47Å
806	D	66.3	Low	82	Confident	19 Å²	19	38.3 Å²	38.3	10%	0.102	21%	0.21	C	C	.	.			trans	-73.9	122.2	167.7	-176.3	-4.9	0	0	0	108.4	S808	D806-S808 WeakPolarHBondContact OD1-CA 3.16Å; D806-S808 VanDerWaalsContact OD1-CB 3.31Å; D806-S808 WeakPolarHBondContact OD1-CB 3.35Å; D806-S808 PolarHBondContact OD1-N 2.88Å; D806-S808 PolarHBondContact OD1-OG 3.4Å; D806-S808 PolarHBondContact OD2-OG 3.01Å
807	T	54.8	Low	82.1	Confident	143 Å²	143	38.1 Å²	38.1	88%	0.877	21%	0.21	S	C	*	.	S	Bend	trans	-93.1	-4	177.5	57.7	0	0	0	0	113.4	H805	H805-T807 PolarHBondContact O-N 3.4Å
808	S	52.9	Low	82.1	Confident	86 Å²	86	38.1 Å²	38.1	60%	0.601	21%	0.21	S	C	*	.	S	Bend	trans	-93.4	-17.1	-177.8	73.3	0	0	0	0	113.8	D806	D806-S808 WeakPolarHBondContact OD1-CA 3.16Å; D806-S808 VanDerWaalsContact OD1-CB 3.31Å; D806-S808 WeakPolarHBondContact OD1-CB 3.35Å; D806-S808 PolarHBondContact OD1-N 2.88Å; D806-S808 PolarHBondContact OD1-OG 3.4Å; D806-S808 PolarHBondContact OD2-OG 3.01Å
809	K	53.8	Low	82.1	Confident	100 Å²	100	38.1 Å²	38.1	44%	0.435	21%	0.21	S	C	.	.	S	Bend	trans	-133.2	152.1	-179.7	-61.4	178.2	-169.9	-179.7	0	110.4	H811 H1016	K809-H811 PolarHBondContact O-N 2.65Å; K809-H1016 PolarHBondContact NZ-NE2 2.8Å
810	S	52.3	Low	82	Confident	108 Å²	108	38.1 Å²	38.1	76%	0.755	21%	0.209	S	C	*	.	S	Bend	trans	-79.6	42.4	-178.3	-171.9	0	0	0	0	113.1
811	H	57.5	Low	82	Confident	138 Å²	138	38.3 Å²	38.3	64%	0.639	21%	0.211	S	C	*	.			trans	-126.5	171	-165.6	-70	-13.1	0	0	0	113.8	K809	K809-H811 PolarHBondContact O-N 2.65Å
812	Q	73.5	Confident	81.9	Confident	105 Å²	105	39 Å²	39	49%	0.491	21%	0.214	S	C	.	.			trans	-49.5	147.8	-162.1	-71.1	156.7	-22	0	0	115.6	F834 Q835	Q812-F834 HydrophobicContact CB-CB 4.43Å; Q812-F834 HydrophobicContact CB-CD1 4.02Å; Q812-Q835 WeakPolarHBondContact CA-O 3.49Å; Q812-Q835 WeakPolarHBondContact CB-O 3.26Å; Q812-Q835 WeakPolarHBondContact CG-O 3.47Å
813	S	85.8	Confident	81.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	139.6	166.6	-49.2	0	0	0	0	109	H805 Q835 T836 T838 E839	H805-S813 VanDerWaalsContact ND1-CB 3.35Å; H805-S813 WeakPolarHBondContact ND1-CB 3.33Å; H805-S813 PolarHBondContact ND1-OG 2.81Å; S813-Q835 PolarHBondContact N-O 2.84Å; S813-Q835 VanDerWaalsContact N-O 3.08Å; S813-Q835 PolarHBondContact O-N 2.92Å; S813-T836 WeakPolarHBondContact CB-O 3.36Å; S813-T836 PolarHBondContact N-O 2.96Å; S813-T836 PolarHBondContact OG-O 3.23Å; S813-T838 PolarHBondContact OG-N 2.74Å; S813-E839 PolarHBondContact OG-N 3.16Å
814	V	91.3	Very high	81.7	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	114.6	-173.8	-175	0	0	0	0	109.9	H804 V832 F834	H804-V814 PolarHBondContact N-O 3.08Å; H804-V814 PolarHBondContact O-N 3.09Å; V814-V832 HydrophobicContact CG1-CG1 3.51Å; V814-F834 HydrophobicContact CG1-CE1 4.4Å; V814-F834 HydrophobicContact CG1-CZ 4.25Å; V814-F834 HydrophobicContact CG2-CD1 3.69Å; V814-F834 HydrophobicContact CG2-CE1 3.46Å; V814-F834 VanDerWaalsContact CG2-CE1 3.46Å; V814-F834 HydrophobicContact CG2-CG 4.49Å; V814-F834 HydrophobicContact CG2-CZ 4.1Å
815	M	94.2	Very high	82.2	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	122.3	175.6	175	-83.3	-155.1	0	0	108.9	V801 V803 F817 V832 T833 Q835 I842 F845 C848	V801-M815 HydrophobicContact CG1-CE 4.09Å; V801-M815 HydrophobicContact CG1-CG 4.2Å; V803-M815 HydrophobicContact CG2-CB 4.42Å; M815-F817 HydrophobicContact CE-CB 3.88Å; M815-F817 HydrophobicContact CE-CD2 3.84Å; M815-F817 HydrophobicContact CE-CG 4.33Å; M815-F817 HydrophobicContact SD-CB 3.88Å; M815-V832 WeakPolarHBondContact O-CA 3.44Å; M815-T833 PolarHBondContact N-O 2.84Å; M815-T833 PolarHBondContact O-N 2.63Å; M815-T833 PolarHBondContact SD-OG1 3.39Å; M815-Q835 HydrophobicContact CB-CG 4.46Å; M815-I842 HydrophobicContact CE-CD1 4.44Å; M815-I842 HydrophobicContact CE-CG2 3.82Å; M815-I842 HydrophobicContact CG-CD1 3.71Å; M815-I842 HydrophobicContact CG-CG1 4.02Å; M815-I842 HydrophobicContact CG-CG2 4Å; M815-F845 HydrophobicContact CE-CD1 4.26Å; M815-C848 HydrophobicContact CE-CB 4.33Å
816	G	96.6	Very high	82.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	134	170.9	0	0	0	0	0	110.1	V801 D802 A1004	V801-G816 WeakPolarHBondContact CA-O 3.35Å; D802-G816 PolarHBondContact N-O 2.62Å; D802-G816 PolarHBondContact O-N 2.97Å; G816-A1004 WeakPolarHBondContact O-CB 3.5Å
817	F	98.2	Very high	84.3	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129.3	179	-179.3	-79.8	0	0	0	109.6	V799 V801 M815 A819 S830 R831 F845 C848 L849 A852	V799-F817 HydrophobicContact CG1-CD2 3.92Å; V799-F817 HydrophobicContact CG1-CE1 4.04Å; V799-F817 HydrophobicContact CG1-CE2 3.4Å; V799-F817 HydrophobicContact CG1-CG 4.46Å; V799-F817 HydrophobicContact CG1-CZ 3.46Å; V799-F817 VanDerWaalsContact CG1-CZ 3.46Å; V799-F817 HydrophobicContact CG2-CZ 4.37Å; V801-F817 HydrophobicContact CG2-CD2 3.74Å; V801-F817 HydrophobicContact CG2-CE2 4.38Å; V801-F817 HydrophobicContact CG2-CG 4.48Å; M815-F817 HydrophobicContact CE-CB 3.88Å; M815-F817 HydrophobicContact CE-CD2 3.84Å; M815-F817 HydrophobicContact CE-CG 4.33Å; M815-F817 HydrophobicContact SD-CB 3.88Å; F817-A819 HydrophobicContact CE1-CB 3.73Å; F817-A819 HydrophobicContact CZ-CB 4.32Å; F817-S830 WeakPolarHBondContact O-CA 3.18Å; F817-R831 PolarHBondContact N-O 2.84Å; F817-R831 PolarHBondContact O-N 2.99Å; F817-F845 HydrophobicContact CE2-CD1 4.34Å; F817-F845 HydrophobicContact CE2-CE1 4.44Å; F817-C848 HydrophobicContact CB-CB 3.85Å; F817-C848 HydrophobicContact CD1-CB 3.76Å; F817-C848 HydrophobicContact CD2-CB 3.54Å; F817-C848 HydrophobicContact CE1-CB 4.11Å; F817-C848 HydrophobicContact CE2-CB 3.89Å; F817-C848 HydrophobicContact CG-CB 3.46Å; F817-C848 VanDerWaalsContact CG-CB 3.46Å; F817-C848 HydrophobicContact CZ-CB 4.17Å; F817-L849 HydrophobicContact CE2-CB 4.41Å; F817-L849 HydrophobicContact CZ-CB 4.19Å; F817-L849 HydrophobicContact CZ-CD1 4.33Å; F817-A852 HydrophobicContact CE1-CB 3.81Å; F817-A852 HydrophobicContact CZ-CB 4.29Å
818	V	98.6	Very high	86.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	126.2	177.4	-179.6	0	0	0	0	109.6	V799 G800 W828 Y829 Y1003 A1004 L1007 F1029	V799-V818 CarbonylContact C-O 3.5Å; V799-V818 WeakPolarHBondContact CA-O 3.35Å; G800-V818 PolarHBondContact N-O 3.22Å; G800-V818 PolarHBondContact O-N 3.35Å; V818-W828 HydrophobicContact CG1-CB 3.96Å; V818-W828 HydrophobicContact CG1-CD2 4.24Å; V818-W828 HydrophobicContact CG1-CE3 3.81Å; V818-W828 HydrophobicContact CG1-CG 4.34Å; V818-Y829 CarbonylContact C-O 3.47Å; V818-Y829 WeakPolarHBondContact CA-O 3.41Å; V818-Y1003 HydrophobicContact CG1-CD2 4.44Å; V818-A1004 HydrophobicContact CG2-CB 4.35Å; V818-L1007 HydrophobicContact CG2-CD2 3.92Å; V818-F1029 HydrophobicContact CG2-CZ 4.17Å
819	A	98.6	Very high	88.6	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	138.6	-176.9	0	0	0	0	0	111.8	M797 V798 V799 F817 W828 Y829 A852	M797-A819 HydrophobicContact CG-CB 4.27Å; M797-A819 HydrophobicContact SD-CB 4.1Å; V798-A819 CarbonylContact O-C 3.47Å; V798-A819 WeakPolarHBondContact O-CA 3.39Å; V799-A819 HydrophobicContact CG1-CB 4.47Å; V799-A819 HydrophobicContact CG2-CB 3.95Å; F817-A819 HydrophobicContact CE1-CB 3.73Å; F817-A819 HydrophobicContact CZ-CB 4.32Å; A819-W828 CarbonylContact O-C 3.51Å; A819-W828 WeakPolarHBondContact O-CA 3.35Å; A819-Y829 PolarHBondContact N-O 2.89Å; A819-Y829 PolarHBondContact O-N 3.33Å; A819-A852 HydrophobicContact CB-CB 3.94Å
820	S	98.4	Very high	90.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	138.7	175.3	63.5	0	0	0	0	111.5	V798 L825 R827	V798-S820 PolarHBondContact N-OG 2.86Å; V798-S820 PolarHBondContact O-N 3.07Å; V798-S820 PolarHBondContact O-OG 2.78Å; S820-L825 WeakPolarHBondContact OG-CD2 3.19Å; S820-R827 CarbonylContact C-O 3.57Å; S820-R827 VanDerWaalsContact CA-O 3.29Å; S820-R827 WeakPolarHBondContact CA-O 2.96Å
821	V	97.3	Very high	92.8	Very high	5 Å²	5	28.9 Å²	28.9	3%	0.03	14%	0.144	C	C	.	.			trans	-120.1	11.4	-176.3	-63.5	0	0	0	0	115.5	R827 K855 I859 N860	V821-R827 HydrophobicContact CG2-CB 3.73Å; V821-R827 PolarHBondContact N-O 2.89Å; V821-K855 HydrophobicContact CG1-CB 4.49Å; V821-K855 HydrophobicContact CG1-CG 4.39Å; V821-I859 HydrophobicContact CB-CD1 3.93Å; V821-I859 HydrophobicContact CG2-CD1 3.57Å; V821-I859 WeakPolarHBondContact O-CG2 3.27Å; V821-N860 PolarHBondContact O-ND2 3.23Å
822	N	95.2	Very high	94.6	Very high	15 Å²	15	22.5 Å²	22.5	8%	0.08	11%	0.114	C	C	.	.	S	Bend	trans	-141.8	161.3	172.3	72	-29.1	0	0	0	112.3	S824 L825 T826 R827	N822-S824 VanDerWaalsContact C-N 3.29Å; N822-S824 PolarHBondContact O-N 3.1Å; N822-L825 PolarHBondContact O-N 3.01Å; N822-L825 PolarHBondContact OD1-N 3.16Å; N822-T826 PolarHBondContact ND2-OG1 3.05Å; N822-T826 PolarHBondContact OD1-N 3.24Å; N822-T826 PolarHBondContact OD1-OG1 3.46Å; N822-R827 HydrophobicContact CB-CB 4.43Å; N822-R827 PolarHBondContact OD1-N 3.11Å
823	S	91.9	Very high	95.5	Very high	85 Å²	85	18.2 Å²	18.2	59%	0.594	10%	0.096	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-35.1	-179.2	52.1	0	0	0	0	114.5	L825	S823-L825 PolarHBondContact O-N 3.09Å
824	S	91.5	Very high	95.7	Very high	56 Å²	56	20.7 Å²	20.7	39%	0.392	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-5.3	177.1	-52.5	0	0	0	0	114.3	T788 N822 T826	T788-S824 PolarHBondContact OG1-O 2.91Å; N822-S824 VanDerWaalsContact C-N 3.29Å; N822-S824 PolarHBondContact O-N 3.1Å; S824-T826 PolarHBondContact O-N 3.25Å
825	L	96.5	Very high	95.5	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.016	11%	0.109	C	C	.	.	S	Bend	trans	52.6	36.3	-176.5	-51.7	177.4	0	0	0	113.6	I791 L796 V798 S820 N822 S823 W828 M984 L987	I791-L825 HydrophobicContact CD1-CD1 3.67Å; I791-L825 HydrophobicContact CG2-CD1 4.17Å; L796-L825 HydrophobicContact CD2-CD1 3.98Å; L796-L825 HydrophobicContact CG-CD2 4.44Å; V798-L825 HydrophobicContact CG2-CD1 3.84Å; V798-L825 HydrophobicContact CG2-CD2 4.27Å; S820-L825 WeakPolarHBondContact OG-CD2 3.19Å; N822-L825 PolarHBondContact O-N 3.01Å; N822-L825 PolarHBondContact OD1-N 3.16Å; S823-L825 PolarHBondContact O-N 3.09Å; L825-W828 WeakPolarHBondContact O-CZ2 3.43Å; L825-M984 HydrophobicContact CD1-CE 3.6Å; L825-L987 HydrophobicContact CB-CD1 4.33Å
826	T	95.9	Very high	94.8	Very high	1 Å²	1	25 Å²	25	1%	0.006	13%	0.132	C	C	.	.			trans	-103.8	-33.8	-179.3	46.9	0	0	0	0	112.2	I655 E785 N822 S824 W828 W989	I655-T826 HydrophobicContact CD1-CG2 4.3Å; E785-T826 VanDerWaalsContact OE2-CB 3.25Å; E785-T826 WeakPolarHBondContact OE2-CB 3.2Å; E785-T826 PolarHBondContact OE2-OG1 2.92Å; N822-T826 PolarHBondContact ND2-OG1 3.05Å; N822-T826 PolarHBondContact OD1-N 3.24Å; N822-T826 PolarHBondContact OD1-OG1 3.46Å; S824-T826 PolarHBondContact O-N 3.25Å; T826-W828 PolarHBondContact O-NE1 3.35Å; T826-W828 VanDerWaalsContact O-NE1 3.09Å; T826-W989 HydrophobicContact CG2-CH2 4.48Å; T826-W989 HydrophobicContact CG2-CZ2 3.91Å; T826-W989 WeakPolarHBondContact O-CH2 3.32Å
827	R	96.6	Very high	93.7	Very high	119 Å²	119	28.1 Å²	28.1	45%	0.449	15%	0.152	S	C	.	.			trans	-90.7	136.9	178.4	-63.2	-176.9	-174.3	179.9	1.7	110.4	E785 S820 V821 N822	E785-R827 HydrophobicContact CG-CG 4.34Å; E785-R827 IonicContact OE1-CZ 3.5Å; E785-R827 IonicContact OE1-NE 3.74Å; E785-R827 PolarHBondContact OE1-NE 3.36Å; E785-R827 IonicContact OE1-NH2 2.69Å; E785-R827 PolarHBondContact OE1-NH2 2.96Å; E785-R827 IonicContact OE2-NE 3.73Å; S820-R827 CarbonylContact C-O 3.57Å; S820-R827 VanDerWaalsContact CA-O 3.29Å; S820-R827 WeakPolarHBondContact CA-O 2.96Å; V821-R827 HydrophobicContact CG2-CB 3.73Å; V821-R827 PolarHBondContact N-O 2.89Å; N822-R827 HydrophobicContact CB-CB 4.43Å; N822-R827 PolarHBondContact OD1-N 3.11Å
828	W	97.8	Very high	92.3	Very high	4 Å²	4	34 Å²	34	2%	0.015	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	129.1	-172.7	-58.1	93.4	0	0	0	111.4	V818 A819 L825 T826 P1000 Y1003 D1025 L1027	V818-W828 HydrophobicContact CG1-CB 3.96Å; V818-W828 HydrophobicContact CG1-CD2 4.24Å; V818-W828 HydrophobicContact CG1-CE3 3.81Å; V818-W828 HydrophobicContact CG1-CG 4.34Å; A819-W828 CarbonylContact O-C 3.51Å; A819-W828 WeakPolarHBondContact O-CA 3.35Å; L825-W828 WeakPolarHBondContact O-CZ2 3.43Å; T826-W828 PolarHBondContact O-NE1 3.35Å; T826-W828 VanDerWaalsContact O-NE1 3.09Å; W828-P1000 HydrophobicContact CH2-CB 4.12Å; W828-P1000 HydrophobicContact CH2-CG 4.22Å; W828-P1000 HydrophobicContact CZ3-CB 3.76Å; W828-P1000 HydrophobicContact CZ3-CG 4.29Å; W828-Y1003 HydrophobicContact CD2-CD2 4.19Å; W828-Y1003 HydrophobicContact CD2-CE2 4.2Å; W828-Y1003 AromaticContact CE2-CE2 3.71Å; W828-Y1003 HydrophobicContact CG-CE2 4.48Å; W828-Y1003 HydrophobicContact CZ2-CD2 4.5Å; W828-Y1003 HydrophobicContact CZ2-CE2 4.05Å; W828-Y1003 AromaticContact NE1-CE2 3.72Å; W828-D1025 CarbonylContact O-C 3.56Å; W828-L1027 HydrophobicContact CB-CD2 3.87Å; W828-L1027 HydrophobicContact CG-CD2 4.03Å
829	Y	98.4	Very high	91.2	Very high	16 Å²	16	36.5 Å²	36.5	6%	0.063	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	140.7	167	-177.8	-103	0	0	0	109.9	V818 A819 R831 A851 A852 K855 S1024	V818-Y829 CarbonylContact C-O 3.47Å; V818-Y829 WeakPolarHBondContact CA-O 3.41Å; A819-Y829 PolarHBondContact N-O 2.89Å; A819-Y829 PolarHBondContact O-N 3.33Å; Y829-R831 HydrophobicContact CD1-CG 4.4Å; Y829-R831 HydrophobicContact CE1-CG 3.56Å; Y829-A851 HydrophobicContact CE1-CB 3.9Å; Y829-A851 WeakPolarHBondContact OH-CB 3.48Å; Y829-A852 HydrophobicContact CD1-CB 3.81Å; Y829-A852 HydrophobicContact CE1-CB 4.29Å; Y829-K855 HydrophobicContact CD2-CB 3.94Å; Y829-K855 HydrophobicContact CD2-CG 3.7Å; Y829-K855 HydrophobicContact CE2-CB 4.2Å; Y829-K855 HydrophobicContact CE2-CG 4.18Å; Y829-K855 HydrophobicContact CG-CB 4.15Å; Y829-K855 HydrophobicContact CG-CG 4.2Å; Y829-S1024 CarbonylContact C-O 3.6Å; Y829-S1024 VanDerWaalsContact CA-O 3.32Å; Y829-S1024 WeakPolarHBondContact CA-O 3.31Å; Y829-S1024 WeakPolarHBondContact CE2-OG 3.32Å
830	S	98.1	Very high	90.2	Very high	6 Å²	6	37.7 Å²	37.7	4%	0.042	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	137	-169.3	60	0	0	0	0	112.8	F817 S1024	F817-S830 WeakPolarHBondContact O-CA 3.18Å; S830-S1024 PolarHBondContact N-O 3.38Å; S830-S1024 WeakPolarHBondContact O-CB 3.48Å; S830-S1024 PolarHBondContact OG-O 2.6Å
831	R	97.1	Very high	89.4	Confident	52 Å²	52	39.7 Å²	39.7	20%	0.196	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	156.9	177.5	-70.4	-61.7	-65.6	-89.5	1.3	111.3	F817 Y829 C848 L1007	F817-R831 PolarHBondContact N-O 2.84Å; F817-R831 PolarHBondContact O-N 2.99Å; Y829-R831 HydrophobicContact CD1-CG 4.4Å; Y829-R831 HydrophobicContact CE1-CG 3.56Å; R831-C848 HydrophobicContact CB-CB 4.3Å; R831-L1007 VanDerWaalsContact O-CD2 3.25Å; R831-L1007 WeakPolarHBondContact O-CD2 3.3Å
832	V	95.3	Very high	88.9	Confident	3 Å²	3	39.5 Å²	39.5	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	146.3	176.3	176.7	0	0	0	0	107.4	V814 M815 F834 L1007 S1011 E1018 P1019	V814-V832 HydrophobicContact CG1-CG1 3.51Å; M815-V832 WeakPolarHBondContact O-CA 3.44Å; V832-F834 HydrophobicContact CG1-CD2 4.12Å; V832-F834 HydrophobicContact CG1-CE2 3.64Å; V832-F834 HydrophobicContact CG1-CZ 4.35Å; V832-L1007 HydrophobicContact CG2-CD1 3.74Å; V832-L1007 HydrophobicContact CG2-CD2 3.94Å; V832-L1007 HydrophobicContact CG2-CG 3.61Å; V832-S1011 WeakPolarHBondContact CG2-OG 3.49Å; V832-E1018 HydrophobicContact CB-CG 4.41Å; V832-E1018 HydrophobicContact CG1-CG 4.4Å; V832-P1019 HydrophobicContact CG2-CG 4.03Å
833	T	92.9	Very high	88.3	Confident	15 Å²	15	43.9 Å²	43.9	9%	0.092	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	145.5	162.8	51.2	0	0	0	0	109.9	M815	M815-T833 PolarHBondContact N-O 2.84Å; M815-T833 PolarHBondContact O-N 2.63Å; M815-T833 PolarHBondContact SD-OG1 3.39Å
834	F	89.8	Confident	87.9	Confident	52 Å²	52	40.3 Å²	40.3	23%	0.228	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	134.5	176.8	-72.7	-103.7	0	0	0	109.8	Q812 V814 V832 S1017 E1018	Q812-F834 HydrophobicContact CB-CB 4.43Å; Q812-F834 HydrophobicContact CB-CD1 4.02Å; V814-F834 HydrophobicContact CG1-CE1 4.4Å; V814-F834 HydrophobicContact CG1-CZ 4.25Å; V814-F834 HydrophobicContact CG2-CD1 3.69Å; V814-F834 HydrophobicContact CG2-CE1 3.46Å; V814-F834 VanDerWaalsContact CG2-CE1 3.46Å; V814-F834 HydrophobicContact CG2-CG 4.49Å; V814-F834 HydrophobicContact CG2-CZ 4.1Å; V832-F834 HydrophobicContact CG1-CD2 4.12Å; V832-F834 HydrophobicContact CG1-CE2 3.64Å; V832-F834 HydrophobicContact CG1-CZ 4.35Å; F834-S1017 VanDerWaalsContact CE2-C 3.44Å; F834-S1017 VanDerWaalsContact CZ-C 3.49Å; F834-S1017 WeakPolarHBondContact CZ-O 3.42Å; F834-E1018 HydrophobicContact CD2-CG 3.75Å; F834-E1018 HydrophobicContact CE2-CB 4.45Å; F834-E1018 HydrophobicContact CE2-CG 3.67Å
835	Q	85.8	Confident	87.8	Confident	16 Å²	16	37.7 Å²	37.7	8%	0.075	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	173.8	-175	-48.1	-160.5	129.4	0	0	110.6	Q812 S813 M815 L841	Q812-Q835 WeakPolarHBondContact CA-O 3.49Å; Q812-Q835 WeakPolarHBondContact CB-O 3.26Å; Q812-Q835 WeakPolarHBondContact CG-O 3.47Å; S813-Q835 PolarHBondContact N-O 2.84Å; S813-Q835 VanDerWaalsContact N-O 3.08Å; S813-Q835 PolarHBondContact O-N 2.92Å; M815-Q835 HydrophobicContact CB-CG 4.46Å; Q835-L841 PolarHBondContact NE2-O 3.29Å
836	T	80.2	Confident	87.6	Confident	78 Å²	78	43.1 Å²	43.1	48%	0.479	21%	0.213	S	C	.	.			trans	-67.5	155.5	-175.1	71.1	0	0	0	0	111.9	S813 T838 E839	S813-T836 WeakPolarHBondContact CB-O 3.36Å; S813-T836 PolarHBondContact N-O 2.96Å; S813-T836 PolarHBondContact OG-O 3.23Å; T836-T838 PolarHBondContact O-N 3.41Å; T836-E839 WeakPolarHBondContact CB-OE2 3.41Å; T836-E839 PolarHBondContact N-OE2 2.88Å; T836-E839 VanDerWaalsContact O-CB 3.25Å; T836-E839 WeakPolarHBondContact O-CB 3.5Å; T836-E839 PolarHBondContact O-N 2.92Å; T836-E839 WeakPolarHBondContact OG1-CB 3.41Å; T836-E839 PolarHBondContact OG1-OE1 2.79Å; T836-E839 PolarHBondContact OG1-OE2 3.39Å
837	P	73.2	Confident	87.4	Confident	65 Å²	65	47 Å²	47	42%	0.422	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	133.5	-176.7	-24	34.9	0	0	0	112.6	E839	P837-E839 PolarHBondContact O-N 2.81Å
838	T	68.6	Low	87.4	Confident	123 Å²	123	41.4 Å²	41.4	76%	0.755	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.8	6.3	-177	71.5	0	0	0	0	116.8	S813 T836 E840	S813-T838 PolarHBondContact OG-N 2.74Å; T836-T838 PolarHBondContact O-N 3.41Å; T838-E840 PolarHBondContact O-N 3.04Å
839	E	76.3	Confident	87.4	Confident	52 Å²	52	41.2 Å²	41.2	24%	0.243	22%	0.215	C	C	.	.			trans	-73.1	112.3	175	-176	162.5	-122.3	0	0	112.2	H805 S813 T836 P837 H843	H805-E839 PolarHBondContact CE1-O 3.49Å; S813-E839 PolarHBondContact OG-N 3.16Å; T836-E839 WeakPolarHBondContact CB-OE2 3.41Å; T836-E839 PolarHBondContact N-OE2 2.88Å; T836-E839 VanDerWaalsContact O-CB 3.25Å; T836-E839 WeakPolarHBondContact O-CB 3.5Å; T836-E839 PolarHBondContact O-N 2.92Å; T836-E839 WeakPolarHBondContact OG1-CB 3.41Å; T836-E839 PolarHBondContact OG1-OE1 2.79Å; T836-E839 PolarHBondContact OG1-OE2 3.39Å; P837-E839 PolarHBondContact O-N 2.81Å; E839-H843 IonicContact OE1-CD2 3.14Å; E839-H843 IonicContact OE1-NE2 3.64Å
840	E	77.4	Confident	87.3	Confident	26 Å²	26	42 Å²	42	12%	0.121	22%	0.22	C	C	.	.			trans	-90.1	-20.8	-179.2	-74	-108.3	-129	0	0	113.5	R33 H805 T838 R871	R33-E840 IonicContact CZ-OE1 2.91Å; R33-E840 IonicContact NH1-OE1 3.48Å; R33-E840 PolarHBondContact NH1-OE1 2.96Å; R33-E840 IonicContact NH2-OE1 2.69Å; R33-E840 PolarHBondContact NH2-OE1 2.65Å; H805-E840 IonicContact NE2-OE2 3.47Å; T838-E840 PolarHBondContact O-N 3.04Å; E840-R871 PolarHBondContact O-NH2 2.96Å
841	L	82.6	Confident	87.2	Confident	42 Å²	42	42.2 Å²	42.2	22%	0.22	22%	0.222	C	C	.	.	S	Bend	trans	-79.9	146.8	176	-167.4	70.9	0	0	0	109.3	Q835 Y885 E886	Q835-L841 PolarHBondContact NE2-O 3.29Å; L841-Y885 HydrophobicContact CD2-CG 4.49Å; L841-E886 HydrophobicContact CD1-CG 3.75Å; L841-E886 HydrophobicContact CG-CG 4.45Å
842	I	86.8	Confident	87.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.212	C	C	.	.			trans	-102.9	126.7	-178.8	-65.4	171.9	0	0	0	111.7	V801 V803 M815 F845 R871 E886 Q889	V801-I842 HydrophobicContact CG1-CD1 3.31Å; V803-I842 HydrophobicContact CG2-CD1 3.79Å; V803-I842 HydrophobicContact CG2-CG1 3.85Å; M815-I842 HydrophobicContact CE-CD1 4.44Å; M815-I842 HydrophobicContact CE-CG2 3.82Å; M815-I842 HydrophobicContact CG-CD1 3.71Å; M815-I842 HydrophobicContact CG-CG1 4.02Å; M815-I842 HydrophobicContact CG-CG2 4Å; I842-F845 HydrophobicContact CB-CD2 3.61Å; I842-F845 HydrophobicContact CB-CE2 3.72Å; I842-F845 HydrophobicContact CD1-CD2 4.45Å; I842-F845 HydrophobicContact CD1-CE2 3.81Å; I842-F845 HydrophobicContact CD1-CZ 4.18Å; I842-F845 HydrophobicContact CG1-CE2 4.35Å; I842-F845 HydrophobicContact CG2-CB 4.19Å; I842-F845 HydrophobicContact CG2-CD2 3.28Å; I842-F845 HydrophobicContact CG2-CE2 3.76Å; I842-F845 HydrophobicContact CG2-CG 3.79Å; I842-R871 VanDerWaalsContact CD1-CZ 3.48Å; I842-E886 PolarHBondContact N-OE1 2.8Å; I842-Q889 PolarHBondContact O-NE2 2.7Å; I842-Q889 PolarHBondContact O-OE1 3.04Å
843	H	82.5	Confident	87.3	Confident	108 Å²	108	39.6 Å²	39.6	50%	0.5	21%	0.212	S	C	.	.	S	Bend	trans	-105.7	-17.5	170.4	-64.8	-70.4	0	0	0	112.5	E839 F845 Q889	E839-H843 IonicContact OE1-CD2 3.14Å; E839-H843 IonicContact OE1-NE2 3.64Å; H843-F845 VanDerWaalsContact C-N 3.29Å; H843-F845 PolarHBondContact O-N 3.31Å; H843-Q889 PolarHBondContact O-OE1 3.49Å
844	G	82.6	Confident	87.5	Confident	10 Å²	10	44 Å²	44	10%	0.103	23%	0.232	C	C	.	.			trans	-76.4	-2.4	179.9	0	0	0	0	0	116.1	R846 V847 C848	G844-R846 VanDerWaalsContact C-N 3.34Å; G844-R846 PolarHBondContact O-N 3.4Å; G844-V847 PolarHBondContact O-N 3.45Å; G844-C848 PolarHBondContact O-N 2.79Å
845	F	90	Very high	87.9	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-57.6	-42.4	-168.7	-103.6	-59.9	0	0	0	113.6	V801 M815 F817 I842 H843 V847 C848 L849 V869 E886 Q889 L890 F906	V801-F845 HydrophobicContact CB-CZ 4.4Å; V801-F845 HydrophobicContact CG1-CZ 4.17Å; V801-F845 HydrophobicContact CG2-CE1 3.76Å; V801-F845 HydrophobicContact CG2-CZ 4.04Å; M815-F845 HydrophobicContact CE-CD1 4.26Å; F817-F845 HydrophobicContact CE2-CD1 4.34Å; F817-F845 HydrophobicContact CE2-CE1 4.44Å; I842-F845 HydrophobicContact CB-CD2 3.61Å; I842-F845 HydrophobicContact CB-CE2 3.72Å; I842-F845 HydrophobicContact CD1-CD2 4.45Å; I842-F845 HydrophobicContact CD1-CE2 3.81Å; I842-F845 HydrophobicContact CD1-CZ 4.18Å; I842-F845 HydrophobicContact CG1-CE2 4.35Å; I842-F845 HydrophobicContact CG2-CB 4.19Å; I842-F845 HydrophobicContact CG2-CD2 3.28Å; I842-F845 HydrophobicContact CG2-CE2 3.76Å; I842-F845 HydrophobicContact CG2-CG 3.79Å; H843-F845 VanDerWaalsContact C-N 3.29Å; H843-F845 PolarHBondContact O-N 3.31Å; F845-V847 PolarHBondContact O-N 3.32Å; F845-C848 PolarHBondContact O-N 3.4Å; F845-L849 WeakPolarHBondContact O-CB 3.41Å; F845-L849 PolarHBondContact O-N 2.99Å; F845-V869 HydrophobicContact CE1-CG1 4.45Å; F845-E886 HydrophobicContact CD2-CB 4.03Å; F845-E886 HydrophobicContact CD2-CG 4.3Å; F845-E886 HydrophobicContact CE2-CB 3.83Å; F845-E886 HydrophobicContact CE2-CG 4.06Å; F845-E886 WeakPolarHBondContact CE2-OE2 3.47Å; F845-Q889 HydrophobicContact CB-CB 4.06Å; F845-L890 HydrophobicContact CB-CD2 4.38Å; F845-L890 HydrophobicContact CD1-CD2 3.49Å; F845-L890 VanDerWaalsContact CD1-CD2 3.49Å; F845-L890 HydrophobicContact CD1-CG 4.45Å; F845-L890 HydrophobicContact CE1-CD2 3.9Å; F845-L890 HydrophobicContact CG-CD2 4.07Å; F845-F906 HydrophobicContact CZ-CE2 4.17Å; F845-F906 HydrophobicContact CZ-CZ 4.46Å
846	R	91.3	Very high	88.4	Confident	118 Å²	118	43.2 Å²	43.2	45%	0.445	23%	0.228	S	C	.	.	H	α-helix	trans	-62.1	-43.3	-176.4	-172.3	175.3	-170.2	-172.6	2.9	112.6	G844 L850 T896	G844-R846 VanDerWaalsContact C-N 3.34Å; G844-R846 PolarHBondContact O-N 3.4Å; R846-L850 HydrophobicContact CG-CD1 3.82Å; R846-L850 HydrophobicContact CG-CG 4.33Å; R846-L850 WeakPolarHBondContact O-CB 3.19Å; R846-L850 VanDerWaalsContact O-CG 3.28Å; R846-L850 WeakPolarHBondContact O-CG 3.17Å; R846-L850 PolarHBondContact O-N 2.91Å; R846-L850 VanDerWaalsContact O-N 3.09Å; R846-T896 PolarHBondContact NH2-OG1 2.65Å
847	V	92.3	Very high	89.2	Confident	83 Å²	83	44 Å²	44	50%	0.503	23%	0.225	S	C	.	.	H	α-helix	trans	-66.5	-44.6	-177.9	-178.7	0	0	0	0	110.8	G844 F845 A851	G844-V847 PolarHBondContact O-N 3.45Å; F845-V847 PolarHBondContact O-N 3.32Å; V847-A851 PolarHBondContact O-N 3.35Å
848	C	96.3	Very high	90.3	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-68	-44.1	-179.5	-66.6	0	0	0	0	112.7	M815 F817 R831 G844 F845 A852	M815-C848 HydrophobicContact CE-CB 4.33Å; F817-C848 HydrophobicContact CB-CB 3.85Å; F817-C848 HydrophobicContact CD1-CB 3.76Å; F817-C848 HydrophobicContact CD2-CB 3.54Å; F817-C848 HydrophobicContact CE1-CB 4.11Å; F817-C848 HydrophobicContact CE2-CB 3.89Å; F817-C848 HydrophobicContact CG-CB 3.46Å; F817-C848 VanDerWaalsContact CG-CB 3.46Å; F817-C848 HydrophobicContact CZ-CB 4.17Å; R831-C848 HydrophobicContact CB-CB 4.3Å; G844-C848 PolarHBondContact O-N 2.79Å; F845-C848 PolarHBondContact O-N 3.4Å; C848-A852 WeakPolarHBondContact O-CB 3.18Å; C848-A852 PolarHBondContact O-N 3.06Å; C848-A852 VanDerWaalsContact O-N 3.12Å
849	L	97.3	Very high	91.6	Very high	1 Å²	1	43 Å²	43	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-70.8	-42.9	-178.4	178.6	60.5	0	0	0	112.4	M797 F817 F845 A851 A852 L853 L890 C893 F894	M797-L849 HydrophobicContact SD-CD1 4.25Å; F817-L849 HydrophobicContact CE2-CB 4.41Å; F817-L849 HydrophobicContact CZ-CB 4.19Å; F817-L849 HydrophobicContact CZ-CD1 4.33Å; F845-L849 WeakPolarHBondContact O-CB 3.41Å; F845-L849 PolarHBondContact O-N 2.99Å; L849-A851 VanDerWaalsContact C-N 3.31Å; L849-A851 PolarHBondContact O-N 3.22Å; L849-A852 PolarHBondContact O-N 2.83Å; L849-A852 VanDerWaalsContact O-N 3.13Å; L849-L853 HydrophobicContact CD1-CD1 4.14Å; L849-L853 HydrophobicContact CD1-CD2 4.38Å; L849-L853 HydrophobicContact CD1-CG 3.91Å; L849-L853 HydrophobicContact CD2-CD1 4.47Å; L849-L853 HydrophobicContact CG-CD1 3.9Å; L849-L853 HydrophobicContact CG-CG 4.17Å; L849-L853 WeakPolarHBondContact O-CG 3.46Å; L849-L853 PolarHBondContact O-N 3.14Å; L849-L890 HydrophobicContact CD2-CB 4.13Å; L849-L890 HydrophobicContact CD2-CD2 3.65Å; L849-C893 HydrophobicContact CD2-CB 3.75Å; L849-C893 HydrophobicContact CG-CB 4.11Å; L849-F894 HydrophobicContact CD2-CE1 3.93Å; L849-F894 HydrophobicContact CD2-CZ 4.48Å
850	L	96.4	Very high	92.5	Very high	31 Å²	31	42.6 Å²	42.6	16%	0.162	21%	0.208	C	C	.	.	H	α-helix	trans	-58.1	-44.4	177.7	-74.1	175.6	0	0	0	111.8	R846 A852 L853 Q854 C893 T896 F897	R846-L850 HydrophobicContact CG-CD1 3.82Å; R846-L850 HydrophobicContact CG-CG 4.33Å; R846-L850 WeakPolarHBondContact O-CB 3.19Å; R846-L850 VanDerWaalsContact O-CG 3.28Å; R846-L850 WeakPolarHBondContact O-CG 3.17Å; R846-L850 PolarHBondContact O-N 2.91Å; R846-L850 VanDerWaalsContact O-N 3.09Å; L850-A852 VanDerWaalsContact C-N 3.34Å; L850-A852 PolarHBondContact O-N 3.44Å; L850-L853 PolarHBondContact O-N 3.48Å; L850-Q854 WeakPolarHBondContact O-CG 3.47Å; L850-Q854 PolarHBondContact O-N 2.76Å; L850-C893 HydrophobicContact CD2-CB 3.85Å; L850-C893 HydrophobicContact CG-CB 4.19Å; L850-T896 HydrophobicContact CD2-CG2 3.98Å; L850-F897 HydrophobicContact CD2-CE2 3.76Å; L850-F897 HydrophobicContact CD2-CZ 4.37Å
851	A	96.3	Very high	93.3	Very high	11 Å²	11	48.3 Å²	48.3	9%	0.091	23%	0.234	C	C	.	.	H	α-helix	trans	-66.3	-34.5	177.2	0	0	0	0	0	112.8	Y829 V847 L849 K855	Y829-A851 HydrophobicContact CE1-CB 3.9Å; Y829-A851 WeakPolarHBondContact OH-CB 3.48Å; V847-A851 PolarHBondContact O-N 3.35Å; L849-A851 VanDerWaalsContact C-N 3.31Å; L849-A851 PolarHBondContact O-N 3.22Å; A851-K855 WeakPolarHBondContact O-CB 3.12Å; A851-K855 PolarHBondContact O-N 3.5Å
852	A	97.9	Very high	93.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-71.1	-36.9	174.6	0	0	0	0	0	113	M797 F817 A819 Y829 C848 L849 L850 K855 Y856	M797-A852 HydrophobicContact CE-CB 4.19Å; M797-A852 WeakPolarHBondContact CE-O 3.29Å; F817-A852 HydrophobicContact CE1-CB 3.81Å; F817-A852 HydrophobicContact CZ-CB 4.29Å; A819-A852 HydrophobicContact CB-CB 3.94Å; Y829-A852 HydrophobicContact CD1-CB 3.81Å; Y829-A852 HydrophobicContact CE1-CB 4.29Å; C848-A852 WeakPolarHBondContact O-CB 3.18Å; C848-A852 PolarHBondContact O-N 3.06Å; C848-A852 VanDerWaalsContact O-N 3.12Å; L849-A852 PolarHBondContact O-N 2.83Å; L849-A852 VanDerWaalsContact O-N 3.13Å; L850-A852 VanDerWaalsContact C-N 3.34Å; L850-A852 PolarHBondContact O-N 3.44Å; A852-K855 PolarHBondContact O-N 3.39Å; A852-Y856 WeakPolarHBondContact O-CB 3.38Å; A852-Y856 PolarHBondContact O-N 3.06Å
853	L	97.8	Very high	94.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.9	-43.5	174.2	-71.8	172.1	0	0	0	111.2	M797 L849 L850 Y856 H857 L863 P864 I867 C893 F894 F897 Y900	M797-L853 HydrophobicContact CE-CD2 4.3Å; L849-L853 HydrophobicContact CD1-CD1 4.14Å; L849-L853 HydrophobicContact CD1-CD2 4.38Å; L849-L853 HydrophobicContact CD1-CG 3.91Å; L849-L853 HydrophobicContact CD2-CD1 4.47Å; L849-L853 HydrophobicContact CG-CD1 3.9Å; L849-L853 HydrophobicContact CG-CG 4.17Å; L849-L853 WeakPolarHBondContact O-CG 3.46Å; L849-L853 PolarHBondContact O-N 3.14Å; L850-L853 PolarHBondContact O-N 3.48Å; L853-Y856 PolarHBondContact O-N 3.39Å; L853-H857 PolarHBondContact O-N 3.26Å; L853-L863 HydrophobicContact CB-CD2 4.08Å; L853-L863 HydrophobicContact CD2-CD2 4.43Å; L853-P864 HydrophobicContact CD2-CG 3.6Å; L853-I867 HydrophobicContact CD2-CD1 4.06Å; L853-C893 HydrophobicContact CD1-CB 4.35Å; L853-F894 HydrophobicContact CD1-CD1 4.38Å; L853-F897 HydrophobicContact CB-CE2 4.02Å; L853-F897 HydrophobicContact CB-CZ 3.98Å; L853-F897 HydrophobicContact CD1-CD2 4.43Å; L853-F897 HydrophobicContact CD1-CE2 3.76Å; L853-Y900 HydrophobicContact CD1-CE1 4.17Å; L853-Y900 HydrophobicContact CD2-CE1 4.2Å; L853-Y900 WeakPolarHBondContact CD2-OH 3.41Å
854	Q	96.3	Very high	95	Very high	109 Å²	109	47.7 Å²	47.7	51%	0.509	23%	0.234	S	C	.	.	H	α-helix	trans	-56.2	-50	170.6	-73.2	169.1	-24.2	0	0	110.9	L850 Y856 H857 E858 F897	L850-Q854 WeakPolarHBondContact O-CG 3.47Å; L850-Q854 PolarHBondContact O-N 2.76Å; Q854-Y856 VanDerWaalsContact C-N 3.33Å; Q854-Y856 PolarHBondContact O-N 2.83Å; Q854-H857 WeakPolarHBondContact O-CB 3.4Å; Q854-H857 PolarHBondContact O-N 2.75Å; Q854-H857 VanDerWaalsContact O-N 3.11Å; Q854-E858 WeakPolarHBondContact O-CG 3.29Å; Q854-E858 PolarHBondContact O-N 2.87Å; Q854-F897 HydrophobicContact CG-CZ 4.42Å
855	K	97.4	Very high	95.7	Very high	49 Å²	49	51.7 Å²	51.7	21%	0.213	25%	0.25	C	S	.	.	H	α-helix	trans	-66.4	-31.8	-179.9	-165.6	55.6	169.6	-175.5	0	113.9	V821 Y829 A851 A852 E858 I859	V821-K855 HydrophobicContact CG1-CB 4.49Å; V821-K855 HydrophobicContact CG1-CG 4.39Å; Y829-K855 HydrophobicContact CD2-CB 3.94Å; Y829-K855 HydrophobicContact CD2-CG 3.7Å; Y829-K855 HydrophobicContact CE2-CB 4.2Å; Y829-K855 HydrophobicContact CE2-CG 4.18Å; Y829-K855 HydrophobicContact CG-CB 4.15Å; Y829-K855 HydrophobicContact CG-CG 4.2Å; A851-K855 WeakPolarHBondContact O-CB 3.12Å; A851-K855 PolarHBondContact O-N 3.5Å; A852-K855 PolarHBondContact O-N 3.39Å; K855-E858 HydrophobicContact CD-CB 4.35Å; K855-E858 WeakPolarHBondContact CD-OE2 3.39Å; K855-E858 WeakPolarHBondContact CE-OE2 3.35Å; K855-E858 IonicContact NZ-OE2 3.56Å; K855-E858 PolarHBondContact NZ-OE2 2.98Å; K855-I859 HydrophobicContact CD-CD1 4.29Å; K855-I859 HydrophobicContact CG-CD1 4.14Å; K855-I859 WeakPolarHBondContact O-CG1 3.36Å; K855-I859 PolarHBondContact O-N 3.34Å
856	Y	97.6	Very high	96.1	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.008	26%	0.259	C	S	.	.	H	α-helix	trans	-65.8	-43.1	172	-163.1	-75.7	0	0	0	110.8	L796 M797 A852 L853 Q854 I859 N860 N862 P864	L796-Y856 WeakPolarHBondContact O-CE2 3.32Å; L796-Y856 PolarHBondContact O-OH 3.19Å; M797-Y856 HydrophobicContact CB-CD2 4.22Å; M797-Y856 HydrophobicContact CB-CE2 4.03Å; M797-Y856 HydrophobicContact CE-CD2 3.57Å; M797-Y856 HydrophobicContact CE-CG 3.97Å; A852-Y856 WeakPolarHBondContact O-CB 3.38Å; A852-Y856 PolarHBondContact O-N 3.06Å; L853-Y856 PolarHBondContact O-N 3.39Å; Q854-Y856 VanDerWaalsContact C-N 3.33Å; Q854-Y856 PolarHBondContact O-N 2.83Å; Y856-I859 PolarHBondContact O-N 3.46Å; Y856-N860 HydrophobicContact CD1-CB 4.12Å; Y856-N860 WeakPolarHBondContact CD1-ND2 3.21Å; Y856-N860 HydrophobicContact CE1-CB 3.97Å; Y856-N860 WeakPolarHBondContact O-CB 3.23Å; Y856-N860 PolarHBondContact O-N 3.16Å; Y856-N860 PolarHBondContact O-ND2 3.01Å; Y856-N862 WeakPolarHBondContact CD1-O 3.21Å; Y856-P864 HydrophobicContact CD1-CB 4.21Å; Y856-P864 HydrophobicContact CD1-CG 4.23Å; Y856-P864 HydrophobicContact CD2-CB 4.36Å; Y856-P864 HydrophobicContact CD2-CG 4.36Å; Y856-P864 HydrophobicContact CE1-CB 3.85Å; Y856-P864 HydrophobicContact CE1-CG 4.38Å; Y856-P864 HydrophobicContact CE2-CB 4.02Å; Y856-P864 HydrophobicContact CG-CB 4.46Å; Y856-P864 HydrophobicContact CG-CG 4.22Å
857	H	96.3	Very high	96.4	Very high	93 Å²	93	48 Å²	48	43%	0.431	24%	0.237	S	C	.	.	H	α-helix	trans	-65.3	-39.9	176.8	-175.1	-87.2	0	0	0	112.8	L853 Q854 I859 H861 N862 L863	L853-H857 PolarHBondContact O-N 3.26Å; Q854-H857 WeakPolarHBondContact O-CB 3.4Å; Q854-H857 PolarHBondContact O-N 2.75Å; Q854-H857 VanDerWaalsContact O-N 3.11Å; H857-I859 PolarHBondContact O-N 2.99Å; H857-H861 WeakPolarHBondContact O-CA 3.35Å; H857-H861 PolarHBondContact O-N 3.4Å; H857-N862 WeakPolarHBondContact CA-O 3.47Å; H857-L863 HydrophobicContact CB-CD2 4.08Å
858	E	95.9	Very high	96.7	Very high	107 Å²	107	44.1 Å²	44.1	50%	0.5	21%	0.214	S	C	.	.	H	α-helix	trans	-55.4	-37.9	172.4	-73.1	171.5	-129.8	0	0	112.9	Q854 K855	Q854-E858 WeakPolarHBondContact O-CG 3.29Å; Q854-E858 PolarHBondContact O-N 2.87Å; K855-E858 HydrophobicContact CD-CB 4.35Å; K855-E858 WeakPolarHBondContact CD-OE2 3.39Å; K855-E858 WeakPolarHBondContact CE-OE2 3.35Å; K855-E858 IonicContact NZ-OE2 3.56Å; K855-E858 PolarHBondContact NZ-OE2 2.98Å
859	I	95.3	Very high	96.8	Very high	61 Å²	61	44.1 Å²	44.1	31%	0.313	21%	0.214	S	C	.	.	H	α-helix	trans	-91.7	-32.5	-171.6	-68.9	169.7	0	0	0	112.8	V821 K855 Y856 H857	V821-I859 HydrophobicContact CB-CD1 3.93Å; V821-I859 HydrophobicContact CG2-CD1 3.57Å; V821-I859 WeakPolarHBondContact O-CG2 3.27Å; K855-I859 HydrophobicContact CD-CD1 4.29Å; K855-I859 HydrophobicContact CG-CD1 4.14Å; K855-I859 WeakPolarHBondContact O-CG1 3.36Å; K855-I859 PolarHBondContact O-N 3.34Å; Y856-I859 PolarHBondContact O-N 3.46Å; H857-I859 PolarHBondContact O-N 2.99Å
860	N	95.2	Very high	96.9	Very high	44 Å²	44	44.1 Å²	44.1	24%	0.235	21%	0.214	C	C	.	.	H	α-helix	trans	-114.6	-1.3	-172.1	-54.3	-92.8	0	0	0	113.1	V821 Y856 N862	V821-N860 PolarHBondContact O-ND2 3.23Å; Y856-N860 HydrophobicContact CD1-CB 4.12Å; Y856-N860 WeakPolarHBondContact CD1-ND2 3.21Å; Y856-N860 HydrophobicContact CE1-CB 3.97Å; Y856-N860 WeakPolarHBondContact O-CB 3.23Å; Y856-N860 PolarHBondContact O-N 3.16Å; Y856-N860 PolarHBondContact O-ND2 3.01Å; N860-N862 PolarHBondContact O-N 3.16Å; N860-N862 PolarHBondContact O-ND2 2.98Å; N860-N862 VanDerWaalsContact O-ND2 3.09Å
861	H	94.9	Very high	97	Very high	145 Å²	145	42.7 Å²	42.7	67%	0.671	21%	0.206	S	C	*	.	S	Bend	trans	51.4	21.3	-173.6	-54.5	-48.1	0	0	0	114.6	H857	H857-H861 WeakPolarHBondContact O-CA 3.35Å; H857-H861 PolarHBondContact O-N 3.4Å
862	N	94.4	Very high	96.9	Very high	102 Å²	102	42.3 Å²	42.3	55%	0.545	20%	0.203	S	C	.	.	S	Bend	trans	-152.4	154.8	-177.6	-72.9	-84.4	0	0	0	108.5	Y856 H857 N860	Y856-N862 WeakPolarHBondContact CD1-O 3.21Å; H857-N862 WeakPolarHBondContact CA-O 3.47Å; N860-N862 PolarHBondContact O-N 3.16Å; N860-N862 PolarHBondContact O-ND2 2.98Å; N860-N862 VanDerWaalsContact O-ND2 3.09Å
863	L	96.5	Very high	96.2	Very high	36 Å²	36	43.7 Å²	43.7	19%	0.188	22%	0.218	C	C	.	.			trans	-84.3	154.7	169.6	-70.1	167.4	0	0	0	110.7	L853 H857 E865 F897 Y900	L853-L863 HydrophobicContact CB-CD2 4.08Å; L853-L863 HydrophobicContact CD2-CD2 4.43Å; H857-L863 HydrophobicContact CB-CD2 4.08Å; L863-E865 PolarHBondContact O-N 3.4Å; L863-F897 HydrophobicContact CD1-CB 3.97Å; L863-F897 HydrophobicContact CD1-CD1 3.82Å; L863-F897 HydrophobicContact CD1-CD2 4.45Å; L863-F897 HydrophobicContact CD1-CE1 4.41Å; L863-F897 HydrophobicContact CD1-CG 3.83Å; L863-F897 HydrophobicContact CD2-CD1 4.49Å; L863-F897 HydrophobicContact CD2-CE1 4.28Å; L863-F897 HydrophobicContact CD2-CZ 4.43Å; L863-Y900 HydrophobicContact CB-CD2 3.95Å; L863-Y900 HydrophobicContact CB-CE1 4.41Å; L863-Y900 HydrophobicContact CB-CE2 3.44Å; L863-Y900 VanDerWaalsContact CB-CE2 3.44Å; L863-Y900 HydrophobicContact CD1-CD1 3.89Å; L863-Y900 HydrophobicContact CD1-CD2 3.8Å; L863-Y900 HydrophobicContact CD1-CE1 4.1Å; L863-Y900 HydrophobicContact CD1-CE2 4.05Å; L863-Y900 HydrophobicContact CD1-CG 3.73Å; L863-Y900 HydrophobicContact CG-CE2 4.34Å
864	P	97.4	Very high	95.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.			trans	-69.8	130.7	178.3	27.3	-31.6	0	0	0	110.9	N795 M797 L853 Y856 K866 I867 Y900	N795-P864 CarbonylContact O-C 3.54Å; M797-P864 HydrophobicContact CB-CB 3.83Å; M797-P864 HydrophobicContact CB-CG 3.97Å; M797-P864 HydrophobicContact CE-CG 4.12Å; M797-P864 HydrophobicContact SD-CG 4.45Å; L853-P864 HydrophobicContact CD2-CG 3.6Å; Y856-P864 HydrophobicContact CD1-CB 4.21Å; Y856-P864 HydrophobicContact CD1-CG 4.23Å; Y856-P864 HydrophobicContact CD2-CB 4.36Å; Y856-P864 HydrophobicContact CD2-CG 4.36Å; Y856-P864 HydrophobicContact CE1-CB 3.85Å; Y856-P864 HydrophobicContact CE1-CG 4.38Å; Y856-P864 HydrophobicContact CE2-CB 4.02Å; Y856-P864 HydrophobicContact CG-CB 4.46Å; Y856-P864 HydrophobicContact CG-CG 4.22Å; P864-K866 VanDerWaalsContact C-N 3.29Å; P864-I867 HydrophobicContact CB-CG1 4.47Å; P864-I867 HydrophobicContact CG-CD1 4.34Å; P864-I867 HydrophobicContact CG-CG1 4.14Å; P864-Y900 WeakPolarHBondContact CD-OH 3.48Å; P864-Y900 WeakPolarHBondContact CG-OH 3.31Å; P864-Y900 WeakPolarHBondContact O-CE2 3.16Å; P864-Y900 PolarHBondContact O-OH 3.01Å
865	E	96.9	Very high	95.5	Very high	94 Å²	94	41 Å²	41	44%	0.439	21%	0.211	S	C	.	.	S	Bend	trans	-69.1	-28	173.1	-70.4	170.8	-143.5	0	0	112.7	N795 L863 P902 K903	N795-E865 HydrophobicContact CB-CB 3.99Å; N795-E865 HydrophobicContact CB-CG 3.78Å; N795-E865 PolarHBondContact ND2-OE1 3.35Å; N795-E865 PolarHBondContact O-N 3.4Å; L863-E865 PolarHBondContact O-N 3.4Å; E865-P902 WeakPolarHBondContact O-CA 3.32Å; E865-K903 PolarHBondContact O-N 2.93Å
866	K	97.7	Very high	95	Very high	39 Å²	39	43.2 Å²	43.2	17%	0.17	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	129.3	-170	-62.5	167.8	-151.7	68.5	0	109.1	K794 N795 L796 M797 P864 K903	K794-K866 PolarHBondContact O-NZ 2.85Å; N795-K866 PolarHBondContact O-N 3.49Å; N795-K866 VanDerWaalsContact O-N 3.09Å; L796-K866 CarbonylContact C-O 3.53Å; L796-K866 WeakPolarHBondContact CA-O 3.48Å; L796-K866 HydrophobicContact CD1-CB 4.03Å; M797-K866 PolarHBondContact N-O 3.17Å; P864-K866 VanDerWaalsContact C-N 3.29Å; K866-K903 CarbonylContact C-O 3.46Å; K866-K903 WeakPolarHBondContact CA-O 3.45Å; K866-K903 HydrophobicContact CG-CB 4.29Å
867	I	98.5	Very high	94.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.1	-180	-57.4	172.1	0	0	0	108.3	M797 V799 L853 P864 V869 F894 P902 K903 L904 V905	M797-I867 HydrophobicContact CB-CG1 4.43Å; M797-I867 CarbonylContact O-C 3.25Å; M797-I867 WeakPolarHBondContact O-CA 3.43Å; V799-I867 HydrophobicContact CG2-CG2 4.11Å; L853-I867 HydrophobicContact CD2-CD1 4.06Å; P864-I867 HydrophobicContact CB-CG1 4.47Å; P864-I867 HydrophobicContact CG-CD1 4.34Å; P864-I867 HydrophobicContact CG-CG1 4.14Å; I867-V869 HydrophobicContact CG2-CG2 4.07Å; I867-F894 HydrophobicContact CD1-CD1 4.44Å; I867-F894 HydrophobicContact CD1-CE1 3.46Å; I867-F894 VanDerWaalsContact CD1-CE1 3.46Å; I867-F894 HydrophobicContact CD1-CZ 3.84Å; I867-P902 HydrophobicContact CD1-CB 4.05Å; I867-P902 HydrophobicContact CD1-CG 4.03Å; I867-P902 HydrophobicContact CG1-CB 4.4Å; I867-K903 PolarHBondContact N-O 2.68Å; I867-L904 HydrophobicContact CB-CD1 4.12Å; I867-L904 HydrophobicContact CG2-CD1 4.04Å; I867-L904 CarbonylContact O-C 3.27Å; I867-L904 WeakPolarHBondContact O-CA 3.44Å; I867-V905 PolarHBondContact O-N 2.8Å
868	V	98.7	Very high	94.1	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	111	178	179.4	0	0	0	0	108.8	L796 M797 V798 V799 Y870 V905 I907 L980	L796-V868 HydrophobicContact CD1-CB 4.39Å; L796-V868 HydrophobicContact CD1-CG2 3.74Å; M797-V868 PolarHBondContact O-N 2.86Å; V798-V868 CarbonylContact C-O 3.56Å; V798-V868 WeakPolarHBondContact CA-O 3.22Å; V799-V868 PolarHBondContact N-O 2.84Å; V868-Y870 HydrophobicContact CG1-CD2 4.23Å; V868-Y870 HydrophobicContact CG1-CE2 3.67Å; V868-V905 WeakPolarHBondContact CA-O 3.46Å; V868-V905 HydrophobicContact CG1-CB 4.37Å; V868-V905 HydrophobicContact CG2-CB 4.11Å; V868-V905 HydrophobicContact CG2-CG2 4.14Å; V868-I907 HydrophobicContact CG1-CD1 4.19Å; V868-L980 HydrophobicContact CB-CD2 4.37Å; V868-L980 HydrophobicContact CG1-CD2 4.11Å; V868-L980 HydrophobicContact CG2-CD2 3.92Å
869	V	98.8	Very high	93.9	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	123.6	-178.8	-173.3	0	0	0	0	110	V799 F845 I867 L890 L904 V905 F906 I907	V799-V869 HydrophobicContact CB-CB 4.45Å; V799-V869 HydrophobicContact CB-CG1 4.37Å; V799-V869 HydrophobicContact CB-CG2 4.15Å; V799-V869 HydrophobicContact CG1-CG1 4.4Å; V799-V869 HydrophobicContact CG2-CG2 4.41Å; F845-V869 HydrophobicContact CE1-CG1 4.45Å; I867-V869 HydrophobicContact CG2-CG2 4.07Å; V869-L890 HydrophobicContact CG2-CD1 4.07Å; V869-L904 HydrophobicContact CG2-CD1 3.98Å; V869-V905 PolarHBondContact N-O 2.85Å; V869-F906 HydrophobicContact CB-CD2 3.83Å; V869-F906 HydrophobicContact CB-CE2 4.26Å; V869-F906 HydrophobicContact CB-CG 4.48Å; V869-F906 HydrophobicContact CG1-CD2 3.95Å; V869-F906 HydrophobicContact CG1-CE2 3.84Å; V869-F906 HydrophobicContact CG2-CD2 4.37Å; V869-I907 PolarHBondContact O-N 2.9Å
870	Y	98.8	Very high	93.8	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	120.8	169.4	-68.4	-83.3	0	0	0	110.4	V798 V799 G800 V801 V868 I907 V909 T981 M984 P998 C1001	V798-Y870 HydrophobicContact CG1-CD2 3.71Å; V798-Y870 HydrophobicContact CG1-CE2 3.67Å; V799-Y870 PolarHBondContact O-N 2.88Å; G800-Y870 CarbonylContact C-O 3.37Å; G800-Y870 WeakPolarHBondContact CA-O 3.41Å; V801-Y870 PolarHBondContact N-O 3.45Å; V868-Y870 HydrophobicContact CG1-CD2 4.23Å; V868-Y870 HydrophobicContact CG1-CE2 3.67Å; Y870-I907 CarbonylContact C-O 3.57Å; Y870-I907 WeakPolarHBondContact CA-O 3.45Å; Y870-I907 HydrophobicContact CD1-CB 3.88Å; Y870-I907 HydrophobicContact CD1-CD1 4.22Å; Y870-I907 HydrophobicContact CD1-CG2 4Å; Y870-I907 HydrophobicContact CE1-CB 4.09Å; Y870-I907 HydrophobicContact CE1-CD1 3.58Å; Y870-I907 HydrophobicContact CE1-CG1 4.41Å; Y870-I907 HydrophobicContact CE1-CG2 4.07Å; Y870-V909 HydrophobicContact CD1-CG2 3.86Å; Y870-V909 HydrophobicContact CG-CG2 4.42Å; Y870-T981 HydrophobicContact CE1-CG2 3.94Å; Y870-T981 WeakPolarHBondContact CE1-OG1 3.44Å; Y870-T981 VanDerWaalsContact OH-CA 3.23Å; Y870-T981 WeakPolarHBondContact OH-CA 3.36Å; Y870-T981 PolarHBondContact OH-N 3.29Å; Y870-T981 PolarHBondContact OH-OG1 2.92Å; Y870-M984 HydrophobicContact CE2-CG 4.01Å; Y870-P998 HydrophobicContact CD1-CB 4.49Å; Y870-P998 HydrophobicContact CD1-CG 3.73Å; Y870-P998 HydrophobicContact CD2-CB 4.3Å; Y870-P998 HydrophobicContact CD2-CG 4.37Å; Y870-P998 HydrophobicContact CE1-CG 3.93Å; Y870-P998 HydrophobicContact CG-CB 4.23Å; Y870-P998 HydrophobicContact CG-CG 3.96Å; Y870-C1001 WeakPolarHBondContact CB-SG 3.36Å
871	R	97.6	Very high	93.7	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	104.8	-172.5	172	59.8	162.7	114.2	-2.9	110.9	E840 I842 V874 E886 F906 I907 V908 V909	E840-R871 PolarHBondContact O-NH2 2.96Å; I842-R871 VanDerWaalsContact CD1-CZ 3.48Å; R871-V874 HydrophobicContact CG-CG2 3.7Å; R871-E886 IonicContact CZ-OE1 2.78Å; R871-E886 IonicContact CZ-OE2 2.68Å; R871-E886 IonicContact NE-OE1 3.81Å; R871-E886 IonicContact NE-OE2 3.92Å; R871-E886 PolarHBondContact NE-OE2 3.46Å; R871-E886 IonicContact NH2-OE1 2.63Å; R871-E886 PolarHBondContact NH2-OE1 2.93Å; R871-E886 IonicContact NH2-OE2 2.86Å; R871-E886 PolarHBondContact NH2-OE2 3.34Å; R871-F906 HydrophobicContact CB-CE1 3.74Å; R871-F906 HydrophobicContact CB-CZ 3.68Å; R871-F906 HydrophobicContact CG-CE1 4.02Å; R871-F906 HydrophobicContact CG-CZ 3.84Å; R871-I907 PolarHBondContact N-O 2.92Å; R871-V908 HydrophobicContact CB-CG2 4.49Å; R871-V908 HydrophobicContact CG-CG2 4.45Å; R871-V908 CarbonylContact O-C 3.57Å; R871-V908 WeakPolarHBondContact O-CA 3.17Å; R871-V909 PolarHBondContact O-N 2.71Å
872	D	94.6	Very high	93.6	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	169.9	175.6	-151.7	-37.2	0	0	0	111.3	V801 D802 V874 K911	V801-D872 PolarHBondContact O-N 3.28Å; D802-D872 HydrophobicContact CB-CB 4.12Å; D872-V874 PolarHBondContact O-N 3.36Å; D872-K911 VanDerWaalsContact CG-CE 3.45Å; D872-K911 WeakPolarHBondContact OD1-CD 3.12Å; D872-K911 WeakPolarHBondContact OD1-CE 3.32Å; D872-K911 IonicContact OD1-NZ 3.14Å; D872-K911 PolarHBondContact OD1-NZ 3.04Å; D872-K911 VanDerWaalsContact OD2-CD 3.27Å; D872-K911 WeakPolarHBondContact OD2-CD 3.4Å; D872-K911 VanDerWaalsContact OD2-CE 3.23Å; D872-K911 WeakPolarHBondContact OD2-CE 3.22Å; D872-K911 IonicContact OD2-NZ 3.62Å; D872-K911 PolarHBondContact OD2-NZ 3.41Å
873	G	84.5	Confident	93.6	Very high	30 Å²	30	35.9 Å²	35.9	31%	0.309	20%	0.203	S	C	.	.	S	Bend	trans	88.3	-27.8	173.6	0	0	0	0	0	116.8
874	V	90.1	Very high	93.5	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.03	22%	0.221	C	C	.	.			trans	-72.9	130.3	-169.6	-179.6	0	0	0	0	113.2	R871 D872 Q878 L879 V882 V908 Q910	R871-V874 HydrophobicContact CG-CG2 3.7Å; D872-V874 PolarHBondContact O-N 3.36Å; V874-Q878 HydrophobicContact CG1-CB 3.98Å; V874-L879 HydrophobicContact CG1-CD2 3.95Å; V874-V882 HydrophobicContact CB-CG2 4.49Å; V874-V882 HydrophobicContact CG1-CG2 3.74Å; V874-V882 HydrophobicContact CG2-CG2 3.86Å; V874-V908 HydrophobicContact CB-CG1 3.82Å; V874-V908 HydrophobicContact CB-CG2 4.26Å; V874-V908 HydrophobicContact CG1-CG1 4.25Å; V874-V908 HydrophobicContact CG1-CG2 4.33Å; V874-V908 HydrophobicContact CG2-CG2 4.45Å; V874-Q910 PolarHBondContact O-NE2 3.01Å; V874-Q910 VanDerWaalsContact O-NE2 3.12Å
875	S	88.3	Confident	93.2	Very high	48 Å²	48	46.2 Å²	46.2	34%	0.336	25%	0.246	S	C	.	.			trans	-96	159.8	174.2	74.5	0	0	0	0	113.5	G877 Q878	S875-G877 VanDerWaalsContact C-N 3.26Å; S875-G877 PolarHBondContact O-N 3.38Å; S875-G877 VanDerWaalsContact O-N 3.14Å; S875-Q878 WeakPolarHBondContact O-CA 3.08Å; S875-Q878 WeakPolarHBondContact O-CB 3.24Å; S875-Q878 PolarHBondContact O-N 3.05Å; S875-Q878 PolarHBondContact OG-OE1 3.35Å
876	D	86.8	Confident	93.2	Very high	95 Å²	95	41.7 Å²	41.7	51%	0.508	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-53.3	-40.6	-170.2	-34.9	-26.7	0	0	0	113	Q878 L879 Q910	D876-Q878 PolarHBondContact O-N 3.27Å; D876-Q878 VanDerWaalsContact O-N 3.16Å; D876-L879 WeakPolarHBondContact O-CG 3.39Å; D876-L879 PolarHBondContact O-N 2.89Å; D876-Q910 PolarHBondContact OD1-NE2 3.24Å
877	G	86	Confident	93.1	Very high	71 Å²	71	40 Å²	40	73%	0.732	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-71.2	-0.7	177.1	0	0	0	0	0	115.2	S875	S875-G877 VanDerWaalsContact C-N 3.26Å; S875-G877 PolarHBondContact O-N 3.38Å; S875-G877 VanDerWaalsContact O-N 3.14Å
878	Q	89.1	Confident	93	Very high	33 Å²	33	42.3 Å²	42.3	15%	0.154	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-113.3	-9.4	177.9	-61	167.7	-90.8	0	0	112.9	V874 S875 D876 K880 M881 V882	V874-Q878 HydrophobicContact CG1-CB 3.98Å; S875-Q878 WeakPolarHBondContact O-CA 3.08Å; S875-Q878 WeakPolarHBondContact O-CB 3.24Å; S875-Q878 PolarHBondContact O-N 3.05Å; S875-Q878 PolarHBondContact OG-OE1 3.35Å; D876-Q878 PolarHBondContact O-N 3.27Å; D876-Q878 VanDerWaalsContact O-N 3.16Å; Q878-K880 PolarHBondContact O-N 3.19Å; Q878-M881 HydrophobicContact CB-CE 4.07Å; Q878-M881 HydrophobicContact CG-CE 3.85Å; Q878-M881 WeakPolarHBondContact O-CA 3.46Å; Q878-M881 WeakPolarHBondContact O-CB 3.32Å; Q878-M881 PolarHBondContact O-N 2.87Å; Q878-V882 PolarHBondContact O-N 2.96Å
879	L	92.9	Very high	92.8	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.031	24%	0.24	C	C	.	.	H	α-helix	trans	-55.4	-46.4	-173.8	-63.2	172	0	0	0	112.8	V874 D876 M881 V882 E883 V908 I964 L966	V874-L879 HydrophobicContact CG1-CD2 3.95Å; D876-L879 WeakPolarHBondContact O-CG 3.39Å; D876-L879 PolarHBondContact O-N 2.89Å; L879-M881 VanDerWaalsContact C-N 3.3Å; L879-M881 PolarHBondContact O-N 3.46Å; L879-V882 PolarHBondContact O-N 2.92Å; L879-E883 PolarHBondContact O-N 2.8Å; L879-V908 HydrophobicContact CD2-CB 4.11Å; L879-V908 HydrophobicContact CD2-CG1 3.84Å; L879-V908 HydrophobicContact CD2-CG2 4.04Å; L879-I964 HydrophobicContact CD1-CD1 3.66Å; L879-I964 HydrophobicContact CD2-CD1 4Å; L879-L966 HydrophobicContact CB-CD2 4.19Å; L879-L966 HydrophobicContact CD2-CD1 4.43Å; L879-L966 HydrophobicContact CD2-CD2 4.3Å
880	K	92.6	Very high	92.6	Very high	128 Å²	128	43.9 Å²	43.9	56%	0.557	24%	0.24	S	C	*	.	H	α-helix	trans	-65.4	-29.2	176.6	-66.1	-170.9	176.8	-175.2	0	113.3	Q878 Q884	Q878-K880 PolarHBondContact O-N 3.19Å; K880-Q884 VanDerWaalsContact O-CB 3.25Å; K880-Q884 WeakPolarHBondContact O-CB 3.4Å; K880-Q884 WeakPolarHBondContact O-CG 3.22Å; K880-Q884 PolarHBondContact O-N 2.81Å
881	M	91.9	Very high	92.5	Very high	89 Å²	89	46.5 Å²	46.5	44%	0.438	25%	0.253	S	S	.	.	H	α-helix	trans	-75	-35.7	173.8	-64.7	-173.6	-70	0	0	111.3	Q878 L879 Q884 Y885	Q878-M881 HydrophobicContact CB-CE 4.07Å; Q878-M881 HydrophobicContact CG-CE 3.85Å; Q878-M881 WeakPolarHBondContact O-CA 3.46Å; Q878-M881 WeakPolarHBondContact O-CB 3.32Å; Q878-M881 PolarHBondContact O-N 2.87Å; L879-M881 VanDerWaalsContact C-N 3.3Å; L879-M881 PolarHBondContact O-N 3.46Å; M881-Q884 PolarHBondContact O-N 2.85Å; M881-Y885 HydrophobicContact CB-CD2 4.25Å; M881-Y885 VanDerWaalsContact O-CB 3.32Å; M881-Y885 WeakPolarHBondContact O-CB 3.35Å; M881-Y885 WeakPolarHBondContact O-CD2 3.07Å; M881-Y885 PolarHBondContact O-N 3.3Å
882	V	93.5	Very high	92.3	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.012	28%	0.276	C	S	.	.	I	π-helix	trans	-65.4	-45.3	173.8	169.5	0	0	0	0	110.8	V874 Q878 L879 Q884 E886 I887 F906 V908 L966	V874-V882 HydrophobicContact CB-CG2 4.49Å; V874-V882 HydrophobicContact CG1-CG2 3.74Å; V874-V882 HydrophobicContact CG2-CG2 3.86Å; Q878-V882 PolarHBondContact O-N 2.96Å; L879-V882 PolarHBondContact O-N 2.92Å; V882-Q884 PolarHBondContact O-N 3.08Å; V882-E886 HydrophobicContact CG1-CB 4.14Å; V882-E886 HydrophobicContact CG1-CG 4.32Å; V882-E886 HydrophobicContact CG2-CG 4.4Å; V882-E886 WeakPolarHBondContact O-CA 3.18Å; V882-E886 WeakPolarHBondContact O-CB 3.5Å; V882-E886 PolarHBondContact O-N 2.96Å; V882-I887 PolarHBondContact O-N 2.8Å; V882-F906 HydrophobicContact CG1-CD1 4.41Å; V882-F906 HydrophobicContact CG1-CE1 3.42Å; V882-F906 VanDerWaalsContact CG1-CE1 3.42Å; V882-F906 HydrophobicContact CG1-CZ 3.68Å; V882-V908 HydrophobicContact CG1-CG2 4.38Å; V882-L966 HydrophobicContact CB-CD1 4.19Å; V882-L966 HydrophobicContact CG1-CD1 3.82Å
883	E	94.3	Very high	92.3	Very high	70 Å²	70	51.5 Å²	51.5	33%	0.327	28%	0.275	S	S	.	.	I	π-helix	trans	-54.5	-49.8	170.9	177.1	-172.4	-144	0	0	112.3	L879 P888	L879-E883 PolarHBondContact O-N 2.8Å; E883-P888 WeakPolarHBondContact O-CD 3.23Å
884	Q	94.3	Very high	92.8	Very high	118 Å²	118	50.9 Å²	50.9	55%	0.551	26%	0.263	S	S	*	.	I	π-helix	trans	-80.4	-24.3	-173.4	-70.6	172.4	-9.6	0	0	114.8	K880 M881 V882	K880-Q884 VanDerWaalsContact O-CB 3.25Å; K880-Q884 WeakPolarHBondContact O-CB 3.4Å; K880-Q884 WeakPolarHBondContact O-CG 3.22Å; K880-Q884 PolarHBondContact O-N 2.81Å; M881-Q884 PolarHBondContact O-N 2.85Å; V882-Q884 PolarHBondContact O-N 3.08Å
885	Y	92.3	Very high	93	Very high	135 Å²	135	57.2 Å²	57.2	53%	0.529	29%	0.293	S	S	.	.	I	π-helix	trans	-122.9	-32.7	-172.8	-63.6	-83	0	0	0	115	L841 M881 Q889	L841-Y885 HydrophobicContact CD2-CG 4.49Å; M881-Y885 HydrophobicContact CB-CD2 4.25Å; M881-Y885 VanDerWaalsContact O-CB 3.32Å; M881-Y885 WeakPolarHBondContact O-CB 3.35Å; M881-Y885 WeakPolarHBondContact O-CD2 3.07Å; M881-Y885 PolarHBondContact O-N 3.3Å; Y885-Q889 WeakPolarHBondContact O-CG 3.41Å; Y885-Q889 PolarHBondContact O-NE2 3.09Å
886	E	95.4	Very high	93.1	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.297	C	S	.	.	I	π-helix	trans	-84.6	-46.4	178.4	-62.2	-168.8	169.9	0	0	111.5	L841 I842 F845 R871 V882 Q889	L841-E886 HydrophobicContact CD1-CG 3.75Å; L841-E886 HydrophobicContact CG-CG 4.45Å; I842-E886 PolarHBondContact N-OE1 2.8Å; F845-E886 HydrophobicContact CD2-CB 4.03Å; F845-E886 HydrophobicContact CD2-CG 4.3Å; F845-E886 HydrophobicContact CE2-CB 3.83Å; F845-E886 HydrophobicContact CE2-CG 4.06Å; F845-E886 WeakPolarHBondContact CE2-OE2 3.47Å; R871-E886 IonicContact CZ-OE1 2.78Å; R871-E886 IonicContact CZ-OE2 2.68Å; R871-E886 IonicContact NE-OE1 3.81Å; R871-E886 IonicContact NE-OE2 3.92Å; R871-E886 PolarHBondContact NE-OE2 3.46Å; R871-E886 IonicContact NH2-OE1 2.63Å; R871-E886 PolarHBondContact NH2-OE1 2.93Å; R871-E886 IonicContact NH2-OE2 2.86Å; R871-E886 PolarHBondContact NH2-OE2 3.34Å; V882-E886 HydrophobicContact CG1-CB 4.14Å; V882-E886 HydrophobicContact CG1-CG 4.32Å; V882-E886 HydrophobicContact CG2-CG 4.4Å; V882-E886 WeakPolarHBondContact O-CA 3.18Å; V882-E886 WeakPolarHBondContact O-CB 3.5Å; V882-E886 PolarHBondContact O-N 2.96Å; E886-Q889 WeakPolarHBondContact O-CB 2.99Å; E886-Q889 PolarHBondContact O-N 3.05Å; E886-Q889 VanDerWaalsContact O-N 3.16Å
887	I	96	Very high	93.3	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-63.9	-41.5	-174.9	-53.6	-173.4	0	0	0	112.8	V882 Q889 L890 I891 L904 F906 L966 Y967	V882-I887 PolarHBondContact O-N 2.8Å; I887-Q889 PolarHBondContact O-N 3.08Å; I887-L890 WeakPolarHBondContact O-CB 3.31Å; I887-L890 PolarHBondContact O-N 2.99Å; I887-I891 HydrophobicContact CG2-CD1 4.31Å; I887-I891 PolarHBondContact O-N 2.88Å; I887-L904 HydrophobicContact CG2-CD2 4.05Å; I887-F906 HydrophobicContact CD1-CB 3.78Å; I887-F906 HydrophobicContact CD1-CD1 3.91Å; I887-F906 HydrophobicContact CD1-CD2 4.24Å; I887-F906 HydrophobicContact CD1-CG 3.72Å; I887-F906 HydrophobicContact CG1-CB 4.32Å; I887-F906 HydrophobicContact CG1-CD1 4.22Å; I887-F906 HydrophobicContact CG1-CD2 3.89Å; I887-F906 HydrophobicContact CG1-CE2 4.18Å; I887-F906 HydrophobicContact CG1-CG 3.89Å; I887-F906 HydrophobicContact CG1-CZ 4.48Å; I887-L966 HydrophobicContact CD1-CB 4.05Å; I887-Y967 HydrophobicContact CD1-CG 4.46Å; I887-Y967 HydrophobicContact CG2-CD1 4.19Å; I887-Y967 HydrophobicContact CG2-CD2 4.42Å; I887-Y967 HydrophobicContact CG2-CG 4.11Å
888	P	95.9	Very high	93.5	Very high	48 Å²	48	58.2 Å²	58.2	31%	0.312	29%	0.285	S	S	.	.	H	α-helix	trans	-64.5	-20.5	176.3	-26	37.8	0	0	0	114.6	E883 L890 K892	E883-P888 WeakPolarHBondContact O-CD 3.23Å; P888-L890 VanDerWaalsContact C-N 3.34Å; P888-K892 WeakPolarHBondContact O-CB 3.36Å; P888-K892 VanDerWaalsContact O-CG 3.27Å; P888-K892 WeakPolarHBondContact O-CG 3.49Å; P888-K892 PolarHBondContact O-N 2.94Å; P888-K892 VanDerWaalsContact O-N 3.14Å
889	Q	94.9	Very high	93.5	Very high	34 Å²	34	68.6 Å²	68.6	16%	0.159	32%	0.323	C	S	.	.	H	α-helix	trans	-70.1	-34.1	172.3	-64.9	174.1	54.3	0	0	111.7	I842 H843 F845 Y885 E886 I887 C893	I842-Q889 PolarHBondContact O-NE2 2.7Å; I842-Q889 PolarHBondContact O-OE1 3.04Å; H843-Q889 PolarHBondContact O-OE1 3.49Å; F845-Q889 HydrophobicContact CB-CB 4.06Å; Y885-Q889 WeakPolarHBondContact O-CG 3.41Å; Y885-Q889 PolarHBondContact O-NE2 3.09Å; E886-Q889 WeakPolarHBondContact O-CB 2.99Å; E886-Q889 PolarHBondContact O-N 3.05Å; E886-Q889 VanDerWaalsContact O-N 3.16Å; I887-Q889 PolarHBondContact O-N 3.08Å; Q889-C893 PolarHBondContact O-N 3.29Å; Q889-C893 PolarHBondContact O-SG 2.91Å
890	L	95.4	Very high	93.6	Very high	1 Å²	1	69.7 Å²	69.7	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-68.3	-45.3	175.2	-56.7	171.6	0	0	0	110.6	F845 L849 V869 I887 P888 K892 C893 L904 F906	F845-L890 HydrophobicContact CB-CD2 4.38Å; F845-L890 HydrophobicContact CD1-CD2 3.49Å; F845-L890 VanDerWaalsContact CD1-CD2 3.49Å; F845-L890 HydrophobicContact CD1-CG 4.45Å; F845-L890 HydrophobicContact CE1-CD2 3.9Å; F845-L890 HydrophobicContact CG-CD2 4.07Å; L849-L890 HydrophobicContact CD2-CB 4.13Å; L849-L890 HydrophobicContact CD2-CD2 3.65Å; V869-L890 HydrophobicContact CG2-CD1 4.07Å; I887-L890 WeakPolarHBondContact O-CB 3.31Å; I887-L890 PolarHBondContact O-N 2.99Å; P888-L890 VanDerWaalsContact C-N 3.34Å; L890-K892 VanDerWaalsContact C-N 3.31Å; L890-K892 PolarHBondContact O-N 2.73Å; L890-C893 WeakPolarHBondContact O-CB 3.48Å; L890-C893 PolarHBondContact O-N 3.35Å; L890-L904 HydrophobicContact CB-CD2 4.11Å; L890-L904 HydrophobicContact CD1-CD1 4.33Å; L890-L904 HydrophobicContact CD1-CD2 4.12Å; L890-F906 HydrophobicContact CD1-CD2 3.6Å; L890-F906 HydrophobicContact CD1-CE2 3.79Å
891	I	95.4	Very high	93.7	Very high	55 Å²	55	72.5 Å²	72.5	28%	0.282	34%	0.342	S	S	.	.	H	α-helix	trans	-59.7	-43.3	179.1	-62.3	171.5	0	0	0	110.6	I887 C893 F894 E895 L904	I887-I891 HydrophobicContact CG2-CD1 4.31Å; I887-I891 PolarHBondContact O-N 2.88Å; I891-C893 PolarHBondContact O-N 3.24Å; I891-C893 VanDerWaalsContact O-N 3.09Å; I891-F894 HydrophobicContact CG1-CE2 4.44Å; I891-F894 WeakPolarHBondContact O-CB 3.37Å; I891-F894 PolarHBondContact O-N 2.83Å; I891-E895 PolarHBondContact O-N 2.93Å; I891-L904 HydrophobicContact CG1-CD2 4.36Å
892	K	94.2	Very high	93.9	Very high	110 Å²	110	68.8 Å²	68.8	48%	0.478	32%	0.324	S	S	.	.	H	α-helix	trans	-65.4	-7.4	173.9	-70.9	174.6	178.8	-176.2	0	115.3	P888 L890 T896	P888-K892 WeakPolarHBondContact O-CB 3.36Å; P888-K892 VanDerWaalsContact O-CG 3.27Å; P888-K892 WeakPolarHBondContact O-CG 3.49Å; P888-K892 PolarHBondContact O-N 2.94Å; P888-K892 VanDerWaalsContact O-N 3.14Å; L890-K892 VanDerWaalsContact C-N 3.31Å; L890-K892 PolarHBondContact O-N 2.73Å; K892-T896 PolarHBondContact O-OG1 2.78Å
893	C	94.6	Very high	94.1	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-79.7	-33.9	167	-58.9	0	0	0	0	111.5	L849 L850 L853 Q889 L890 I891 T896 F897	L849-C893 HydrophobicContact CD2-CB 3.75Å; L849-C893 HydrophobicContact CG-CB 4.11Å; L850-C893 HydrophobicContact CD2-CB 3.85Å; L850-C893 HydrophobicContact CG-CB 4.19Å; L853-C893 HydrophobicContact CD1-CB 4.35Å; Q889-C893 PolarHBondContact O-N 3.29Å; Q889-C893 PolarHBondContact O-SG 2.91Å; L890-C893 WeakPolarHBondContact O-CB 3.48Å; L890-C893 PolarHBondContact O-N 3.35Å; I891-C893 PolarHBondContact O-N 3.24Å; I891-C893 VanDerWaalsContact O-N 3.09Å; C893-T896 VanDerWaalsContact O-CB 3.29Å; C893-T896 WeakPolarHBondContact O-CB 3.28Å; C893-T896 PolarHBondContact O-N 2.99Å; C893-T896 PolarHBondContact O-OG1 3.28Å; C893-F897 WeakPolarHBondContact O-CD2 3.16Å
894	F	95.1	Very high	94.3	Very high	16 Å²	16	70.4 Å²	70.4	7%	0.07	33%	0.33	C	S	.	.	H	α-helix	trans	-71.2	-40.9	-176.8	-46.8	-33	0	0	0	110.8	L849 L853 I867 I891 T896 F897 Y900 P902 L904	L849-F894 HydrophobicContact CD2-CE1 3.93Å; L849-F894 HydrophobicContact CD2-CZ 4.48Å; L853-F894 HydrophobicContact CD1-CD1 4.38Å; I867-F894 HydrophobicContact CD1-CD1 4.44Å; I867-F894 HydrophobicContact CD1-CE1 3.46Å; I867-F894 VanDerWaalsContact CD1-CE1 3.46Å; I867-F894 HydrophobicContact CD1-CZ 3.84Å; I891-F894 HydrophobicContact CG1-CE2 4.44Å; I891-F894 WeakPolarHBondContact O-CB 3.37Å; I891-F894 PolarHBondContact O-N 2.83Å; F894-T896 PolarHBondContact O-N 2.85Å; F894-F897 PolarHBondContact O-N 3.45Å; F894-Y900 HydrophobicContact CB-CD1 4.11Å; F894-Y900 HydrophobicContact CB-CE1 4.46Å; F894-Y900 HydrophobicContact CD1-CD1 4.36Å; F894-Y900 AromaticContact CD1-CE1 3.87Å; F894-Y900 HydrophobicContact CD1-CE1 3.87Å; F894-Y900 HydrophobicContact CG-CE1 4.48Å; F894-P902 HydrophobicContact CB-CG 4.2Å; F894-P902 HydrophobicContact CD1-CG 3.39Å; F894-P902 HydrophobicContact CD2-CG 3.62Å; F894-P902 HydrophobicContact CE1-CG 3.53Å; F894-P902 HydrophobicContact CE2-CG 3.75Å; F894-P902 HydrophobicContact CG-CG 3.45Å; F894-P902 VanDerWaalsContact CG-CG 3.45Å; F894-P902 HydrophobicContact CZ-CG 3.72Å; F894-L904 HydrophobicContact CE2-CB 4.38Å; F894-L904 HydrophobicContact CE2-CD2 4.22Å; F894-L904 HydrophobicContact CZ-CD1 4.47Å; F894-L904 HydrophobicContact CZ-CD2 4.33Å
895	E	93.4	Very high	94.5	Very high	138 Å²	138	64.8 Å²	64.8	65%	0.645	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-20.6	169.7	-64.5	167.3	-157	0	0	114.3	I891 F897	I891-E895 PolarHBondContact O-N 2.93Å; E895-F897 VanDerWaalsContact C-N 3.29Å
896	T	92	Very high	94.8	Very high	68 Å²	68	58.3 Å²	58.3	42%	0.417	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-11.2	178.9	-50.7	0	0	0	0	112.4	R846 L850 K892 C893 F894	R846-T896 PolarHBondContact NH2-OG1 2.65Å; L850-T896 HydrophobicContact CD2-CG2 3.98Å; K892-T896 PolarHBondContact O-OG1 2.78Å; C893-T896 VanDerWaalsContact O-CB 3.29Å; C893-T896 WeakPolarHBondContact O-CB 3.28Å; C893-T896 PolarHBondContact O-N 2.99Å; C893-T896 PolarHBondContact O-OG1 3.28Å; F894-T896 PolarHBondContact O-N 2.85Å
897	F	91	Very high	94.9	Very high	43 Å²	43	58.4 Å²	58.4	19%	0.189	28%	0.279	C	S	.	.	S	Bend	trans	-118.4	122.9	178.3	-60	-87.9	0	0	0	110.4	L850 L853 Q854 L863 C893 F894 E895 R899 Y900	L850-F897 HydrophobicContact CD2-CE2 3.76Å; L850-F897 HydrophobicContact CD2-CZ 4.37Å; L853-F897 HydrophobicContact CB-CE2 4.02Å; L853-F897 HydrophobicContact CB-CZ 3.98Å; L853-F897 HydrophobicContact CD1-CD2 4.43Å; L853-F897 HydrophobicContact CD1-CE2 3.76Å; Q854-F897 HydrophobicContact CG-CZ 4.42Å; L863-F897 HydrophobicContact CD1-CB 3.97Å; L863-F897 HydrophobicContact CD1-CD1 3.82Å; L863-F897 HydrophobicContact CD1-CD2 4.45Å; L863-F897 HydrophobicContact CD1-CE1 4.41Å; L863-F897 HydrophobicContact CD1-CG 3.83Å; L863-F897 HydrophobicContact CD2-CD1 4.49Å; L863-F897 HydrophobicContact CD2-CE1 4.28Å; L863-F897 HydrophobicContact CD2-CZ 4.43Å; C893-F897 WeakPolarHBondContact O-CD2 3.16Å; F894-F897 PolarHBondContact O-N 3.45Å; E895-F897 VanDerWaalsContact C-N 3.29Å; F897-R899 PolarHBondContact O-N 3.34Å; F897-Y900 HydrophobicContact CB-CD1 3.92Å; F897-Y900 HydrophobicContact CB-CG 4.11Å; F897-Y900 AromaticContact CD2-CD1 3.96Å; F897-Y900 HydrophobicContact CD2-CD1 3.96Å; F897-Y900 HydrophobicContact CD2-CE1 4.41Å; F897-Y900 HydrophobicContact CG-CD1 4.23Å; F897-Y900 WeakPolarHBondContact O-CB 3.47Å; F897-Y900 PolarHBondContact O-N 3.28Å
898	P	88.8	Confident	95	Very high	124 Å²	124	58.2 Å²	58.2	81%	0.805	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	129.5	-177.2	-26.9	35.3	0	0	0	113.5	Y900	P898-Y900 PolarHBondContact O-N 3.47Å
899	R	89.4	Confident	95.1	Very high	252 Å²	252	55.9 Å²	55.9	95%	0.951	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	24.9	179.1	-42.1	179.9	-152.1	162.1	7.1	114.7	F897	F897-R899 PolarHBondContact O-N 3.34Å
900	Y	95.6	Very high	95.2	Very high	29 Å²	29	55 Å²	55	11%	0.114	26%	0.259	C	S	.	.			trans	-99	106	-179	-179.6	-128.5	0	0	0	112.1	L853 L863 P864 F894 F897 P898 P902	L853-Y900 HydrophobicContact CD1-CE1 4.17Å; L853-Y900 HydrophobicContact CD2-CE1 4.2Å; L853-Y900 WeakPolarHBondContact CD2-OH 3.41Å; L863-Y900 HydrophobicContact CB-CD2 3.95Å; L863-Y900 HydrophobicContact CB-CE1 4.41Å; L863-Y900 HydrophobicContact CB-CE2 3.44Å; L863-Y900 VanDerWaalsContact CB-CE2 3.44Å; L863-Y900 HydrophobicContact CD1-CD1 3.89Å; L863-Y900 HydrophobicContact CD1-CD2 3.8Å; L863-Y900 HydrophobicContact CD1-CE1 4.1Å; L863-Y900 HydrophobicContact CD1-CE2 4.05Å; L863-Y900 HydrophobicContact CD1-CG 3.73Å; L863-Y900 HydrophobicContact CG-CE2 4.34Å; P864-Y900 WeakPolarHBondContact CD-OH 3.48Å; P864-Y900 WeakPolarHBondContact CG-OH 3.31Å; P864-Y900 WeakPolarHBondContact O-CE2 3.16Å; P864-Y900 PolarHBondContact O-OH 3.01Å; F894-Y900 HydrophobicContact CB-CD1 4.11Å; F894-Y900 HydrophobicContact CB-CE1 4.46Å; F894-Y900 HydrophobicContact CD1-CD1 4.36Å; F894-Y900 AromaticContact CD1-CE1 3.87Å; F894-Y900 HydrophobicContact CD1-CE1 3.87Å; F894-Y900 HydrophobicContact CG-CE1 4.48Å; F897-Y900 HydrophobicContact CB-CD1 3.92Å; F897-Y900 HydrophobicContact CB-CG 4.11Å; F897-Y900 AromaticContact CD2-CD1 3.96Å; F897-Y900 HydrophobicContact CD2-CD1 3.96Å; F897-Y900 HydrophobicContact CD2-CE1 4.41Å; F897-Y900 HydrophobicContact CG-CD1 4.23Å; F897-Y900 WeakPolarHBondContact O-CB 3.47Å; F897-Y900 PolarHBondContact O-N 3.28Å; P898-Y900 PolarHBondContact O-N 3.47Å; Y900-P902 HydrophobicContact CD1-CG 4.27Å; Y900-P902 HydrophobicContact CE1-CB 4.33Å; Y900-P902 HydrophobicContact CE1-CG 3.67Å; Y900-P902 HydrophobicContact CE2-CB 3.82Å; Y900-P902 HydrophobicContact CE2-CG 3.97Å; Y900-P902 VanDerWaalsContact CZ-CG 3.48Å; Y900-P902 WeakPolarHBondContact O-CD 3.47Å; Y900-P902 WeakPolarHBondContact OH-CB 3.38Å
901	E	94.3	Very high	95	Very high	186 Å²	186	56.2 Å²	56.2	87%	0.869	26%	0.264	S	S	*	.			trans	-122.1	75	-179	-63.9	-175.8	169.3	0	0	111.1
902	P	96.7	Very high	94.6	Very high	11 Å²	11	62.3 Å²	62.3	7%	0.071	28%	0.283	C	S	.	.			trans	-74.4	147.9	-179.4	32.7	-36.6	0	0	0	112.2	E865 I867 F894 Y900 L904	E865-P902 WeakPolarHBondContact O-CA 3.32Å; I867-P902 HydrophobicContact CD1-CB 4.05Å; I867-P902 HydrophobicContact CD1-CG 4.03Å; I867-P902 HydrophobicContact CG1-CB 4.4Å; F894-P902 HydrophobicContact CB-CG 4.2Å; F894-P902 HydrophobicContact CD1-CG 3.39Å; F894-P902 HydrophobicContact CD2-CG 3.62Å; F894-P902 HydrophobicContact CE1-CG 3.53Å; F894-P902 HydrophobicContact CE2-CG 3.75Å; F894-P902 HydrophobicContact CG-CG 3.45Å; F894-P902 VanDerWaalsContact CG-CG 3.45Å; F894-P902 HydrophobicContact CZ-CG 3.72Å; Y900-P902 HydrophobicContact CD1-CG 4.27Å; Y900-P902 HydrophobicContact CE1-CB 4.33Å; Y900-P902 HydrophobicContact CE1-CG 3.67Å; Y900-P902 HydrophobicContact CE2-CB 3.82Å; Y900-P902 HydrophobicContact CE2-CG 3.97Å; Y900-P902 VanDerWaalsContact CZ-CG 3.48Å; Y900-P902 WeakPolarHBondContact O-CD 3.47Å; Y900-P902 WeakPolarHBondContact OH-CB 3.38Å; P902-L904 PolarHBondContact O-N 2.87Å
903	K	97.7	Very high	94.2	Very high	105 Å²	105	57.8 Å²	57.8	46%	0.457	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	114.8	175	-78.4	175.9	171.1	-178.2	0	110.4	E865 K866 I867 A970	E865-K903 PolarHBondContact O-N 2.93Å; K866-K903 CarbonylContact C-O 3.46Å; K866-K903 WeakPolarHBondContact CA-O 3.45Å; K866-K903 HydrophobicContact CG-CB 4.29Å; I867-K903 PolarHBondContact N-O 2.68Å; K903-A970 HydrophobicContact CB-CB 3.89Å
904	L	98	Very high	93.6	Very high	1 Å²	1	59 Å²	59	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	134.9	-174.8	179.7	62.1	0	0	0	111.5	I867 V869 I887 L890 I891 F894 P902 Y967 N968 T969	I867-L904 HydrophobicContact CB-CD1 4.12Å; I867-L904 HydrophobicContact CG2-CD1 4.04Å; I867-L904 CarbonylContact O-C 3.27Å; I867-L904 WeakPolarHBondContact O-CA 3.44Å; V869-L904 HydrophobicContact CG2-CD1 3.98Å; I887-L904 HydrophobicContact CG2-CD2 4.05Å; L890-L904 HydrophobicContact CB-CD2 4.11Å; L890-L904 HydrophobicContact CD1-CD1 4.33Å; L890-L904 HydrophobicContact CD1-CD2 4.12Å; I891-L904 HydrophobicContact CG1-CD2 4.36Å; F894-L904 HydrophobicContact CE2-CB 4.38Å; F894-L904 HydrophobicContact CE2-CD2 4.22Å; F894-L904 HydrophobicContact CZ-CD1 4.47Å; F894-L904 HydrophobicContact CZ-CD2 4.33Å; P902-L904 PolarHBondContact O-N 2.87Å; L904-Y967 HydrophobicContact CB-CD1 4.18Å; L904-Y967 HydrophobicContact CB-CE1 4.17Å; L904-Y967 HydrophobicContact CD2-CD1 4.01Å; L904-Y967 HydrophobicContact CD2-CE1 4.12Å; L904-Y967 HydrophobicContact CG-CD1 4.04Å; L904-Y967 HydrophobicContact CG-CE1 4.37Å; L904-N968 CarbonylContact O-C 3.51Å; L904-N968 WeakPolarHBondContact O-CA 3.32Å; L904-T969 PolarHBondContact N-OG1 3.24Å; L904-T969 PolarHBondContact O-N 2.94Å; L904-T969 PolarHBondContact O-OG1 2.59Å
905	V	98.4	Very high	93.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.2	166.2	-168	0	0	0	0	108.7	I867 V868 V869 I907 Y967 N968 A970 L972 L977	I867-V905 PolarHBondContact O-N 2.8Å; V868-V905 WeakPolarHBondContact CA-O 3.46Å; V868-V905 HydrophobicContact CG1-CB 4.37Å; V868-V905 HydrophobicContact CG2-CB 4.11Å; V868-V905 HydrophobicContact CG2-CG2 4.14Å; V869-V905 PolarHBondContact N-O 2.85Å; V905-I907 HydrophobicContact CG1-CD1 4.15Å; V905-I907 HydrophobicContact CG1-CG1 3.96Å; V905-Y967 CarbonylContact C-O 3.5Å; V905-Y967 VanDerWaalsContact CA-O 3.27Å; V905-Y967 WeakPolarHBondContact CA-O 3.45Å; V905-N968 HydrophobicContact CG1-CB 4.34Å; V905-A970 HydrophobicContact CG2-CB 3.44Å; V905-A970 VanDerWaalsContact CG2-CB 3.44Å; V905-L972 HydrophobicContact CG2-CD1 4.13Å; V905-L972 HydrophobicContact CG2-CG 4.42Å; V905-L977 HydrophobicContact CG1-CD2 3.72Å
906	F	98.4	Very high	92.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	117.3	178.4	-165	-78.1	0	0	0	110.1	F845 V869 R871 V882 I887 L890 V908 S965 L966 Y967	F845-F906 HydrophobicContact CZ-CE2 4.17Å; F845-F906 HydrophobicContact CZ-CZ 4.46Å; V869-F906 HydrophobicContact CB-CD2 3.83Å; V869-F906 HydrophobicContact CB-CE2 4.26Å; V869-F906 HydrophobicContact CB-CG 4.48Å; V869-F906 HydrophobicContact CG1-CD2 3.95Å; V869-F906 HydrophobicContact CG1-CE2 3.84Å; V869-F906 HydrophobicContact CG2-CD2 4.37Å; R871-F906 HydrophobicContact CB-CE1 3.74Å; R871-F906 HydrophobicContact CB-CZ 3.68Å; R871-F906 HydrophobicContact CG-CE1 4.02Å; R871-F906 HydrophobicContact CG-CZ 3.84Å; V882-F906 HydrophobicContact CG1-CD1 4.41Å; V882-F906 HydrophobicContact CG1-CE1 3.42Å; V882-F906 VanDerWaalsContact CG1-CE1 3.42Å; V882-F906 HydrophobicContact CG1-CZ 3.68Å; I887-F906 HydrophobicContact CD1-CB 3.78Å; I887-F906 HydrophobicContact CD1-CD1 3.91Å; I887-F906 HydrophobicContact CD1-CD2 4.24Å; I887-F906 HydrophobicContact CD1-CG 3.72Å; I887-F906 HydrophobicContact CG1-CB 4.32Å; I887-F906 HydrophobicContact CG1-CD1 4.22Å; I887-F906 HydrophobicContact CG1-CD2 3.89Å; I887-F906 HydrophobicContact CG1-CE2 4.18Å; I887-F906 HydrophobicContact CG1-CG 3.89Å; I887-F906 HydrophobicContact CG1-CZ 4.48Å; L890-F906 HydrophobicContact CD1-CD2 3.6Å; L890-F906 HydrophobicContact CD1-CE2 3.79Å; F906-V908 HydrophobicContact CE1-CG2 4.02Å; F906-S965 WeakPolarHBondContact O-CA 3.4Å; F906-L966 HydrophobicContact CD1-CB 4.39Å; F906-L966 HydrophobicContact CD1-CD1 4.29Å; F906-L966 HydrophobicContact CE1-CD1 4.37Å; F906-L966 PolarHBondContact O-N 3.33Å; F906-Y967 PolarHBondContact N-O 3.09Å
907	I	98.6	Very high	92.6	Very high	1 Å²	1	49 Å²	49	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	114.4	-173.7	-54.7	173.9	0	0	0	109	V868 V869 Y870 R871 V905 Y963 I964 L977	V868-I907 HydrophobicContact CG1-CD1 4.19Å; V869-I907 PolarHBondContact O-N 2.9Å; Y870-I907 CarbonylContact C-O 3.57Å; Y870-I907 WeakPolarHBondContact CA-O 3.45Å; Y870-I907 HydrophobicContact CD1-CB 3.88Å; Y870-I907 HydrophobicContact CD1-CD1 4.22Å; Y870-I907 HydrophobicContact CD1-CG2 4Å; Y870-I907 HydrophobicContact CE1-CB 4.09Å; Y870-I907 HydrophobicContact CE1-CD1 3.58Å; Y870-I907 HydrophobicContact CE1-CG1 4.41Å; Y870-I907 HydrophobicContact CE1-CG2 4.07Å; R871-I907 PolarHBondContact N-O 2.92Å; V905-I907 HydrophobicContact CG1-CD1 4.15Å; V905-I907 HydrophobicContact CG1-CG1 3.96Å; I907-Y963 HydrophobicContact CG2-CD1 4.11Å; I907-I964 CarbonylContact C-O 3.59Å; I907-I964 WeakPolarHBondContact CA-O 3.35Å; I907-L977 HydrophobicContact CD1-CD2 4.15Å
908	V	98.1	Very high	92.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	135.7	168.9	165.3	0	0	0	0	109.8	R871 V874 L879 V882 F906 Q910 Y963 I964 L966	R871-V908 HydrophobicContact CB-CG2 4.49Å; R871-V908 HydrophobicContact CG-CG2 4.45Å; R871-V908 CarbonylContact O-C 3.57Å; R871-V908 WeakPolarHBondContact O-CA 3.17Å; V874-V908 HydrophobicContact CB-CG1 3.82Å; V874-V908 HydrophobicContact CB-CG2 4.26Å; V874-V908 HydrophobicContact CG1-CG1 4.25Å; V874-V908 HydrophobicContact CG1-CG2 4.33Å; V874-V908 HydrophobicContact CG2-CG2 4.45Å; L879-V908 HydrophobicContact CD2-CB 4.11Å; L879-V908 HydrophobicContact CD2-CG1 3.84Å; L879-V908 HydrophobicContact CD2-CG2 4.04Å; V882-V908 HydrophobicContact CG1-CG2 4.38Å; F906-V908 HydrophobicContact CE1-CG2 4.02Å; V908-Q910 HydrophobicContact CG1-CG 4.01Å; V908-Y963 WeakPolarHBondContact O-CA 3.45Å; V908-I964 HydrophobicContact CB-CB 4.42Å; V908-I964 PolarHBondContact N-O 2.98Å; V908-I964 PolarHBondContact O-N 3.09Å; V908-L966 HydrophobicContact CG2-CD1 3.6Å; V908-L966 HydrophobicContact CG2-CG 4.15Å
909	V	98.1	Very high	92.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119.3	-177.2	-176.2	0	0	0	0	109.6	Y870 R871 T961 Y963 V997	Y870-V909 HydrophobicContact CD1-CG2 3.86Å; Y870-V909 HydrophobicContact CG-CG2 4.42Å; R871-V909 PolarHBondContact O-N 2.71Å; V909-T961 HydrophobicContact CG1-CG2 3.54Å; V909-Y963 HydrophobicContact CB-CD1 4.48Å; V909-Y963 HydrophobicContact CB-CE1 4.36Å; V909-Y963 HydrophobicContact CG1-CD1 4.29Å; V909-Y963 HydrophobicContact CG1-CE1 3.77Å; V909-Y963 HydrophobicContact CG2-CD1 3.94Å; V909-Y963 HydrophobicContact CG2-CE1 3.9Å; V909-V997 HydrophobicContact CG1-CB 4.41Å; V909-V997 HydrophobicContact CG1-CG1 4.1Å
910	Q	95.4	Very high	91.7	Very high	14 Å²	14	32.7 Å²	32.7	7%	0.065	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	93	-177.1	-65.2	-171.5	-28.2	0	0	111.5	V874 D876 V908 I913 H962	V874-Q910 PolarHBondContact O-NE2 3.01Å; V874-Q910 VanDerWaalsContact O-NE2 3.12Å; D876-Q910 PolarHBondContact OD1-NE2 3.24Å; V908-Q910 HydrophobicContact CG1-CG 4.01Å; Q910-I913 HydrophobicContact CB-CG2 4.01Å; Q910-H962 HydrophobicContact CB-CB 4.13Å; Q910-H962 PolarHBondContact N-O 3.28Å; Q910-H962 PolarHBondContact O-N 2.86Å; Q910-H962 VanDerWaalsContact O-N 3.16Å; Q910-H962 PolarHBondContact OE1-ND1 3.38Å
911	K	91.4	Very high	90.8	Very high	28 Å²	28	33.6 Å²	33.6	12%	0.122	16%	0.16	C	C	.	.			trans	-81.9	-4.7	176.5	67.3	-167.4	167.6	-156	0	114.8	D802 D872 R996 V997	D802-K911 IonicContact OD2-NZ 2.7Å; D802-K911 PolarHBondContact OD2-NZ 3.13Å; D872-K911 VanDerWaalsContact CG-CE 3.45Å; D872-K911 WeakPolarHBondContact OD1-CD 3.12Å; D872-K911 WeakPolarHBondContact OD1-CE 3.32Å; D872-K911 IonicContact OD1-NZ 3.14Å; D872-K911 PolarHBondContact OD1-NZ 3.04Å; D872-K911 VanDerWaalsContact OD2-CD 3.27Å; D872-K911 WeakPolarHBondContact OD2-CD 3.4Å; D872-K911 VanDerWaalsContact OD2-CE 3.23Å; D872-K911 WeakPolarHBondContact OD2-CE 3.22Å; D872-K911 IonicContact OD2-NZ 3.62Å; D872-K911 PolarHBondContact OD2-NZ 3.41Å; K911-R996 PolarHBondContact O-NH2 3.39Å; K911-R996 VanDerWaalsContact O-NH2 3.08Å; K911-V997 HydrophobicContact CB-CG1 3.94Å; K911-V997 HydrophobicContact CD-CG1 4.27Å
912	R	87.4	Confident	89.9	Confident	182 Å²	182	30.7 Å²	30.7	69%	0.687	16%	0.16	S	C	*	.			trans	-123.8	78.3	-175.7	-68	178.7	178.8	154	-1	110.9	R35	R35-R912 PolarHBondContact NH1-O 3.33Å
913	I	86.2	Confident	88.9	Confident	16 Å²	16	36.7 Å²	36.7	8%	0.082	19%	0.192	C	C	.	.			trans	-127.1	156.2	-175.8	53	178.5	0	0	0	111	Q910 Y947 P960 H962	Q910-I913 HydrophobicContact CB-CG2 4.01Å; I913-Y947 HydrophobicContact CD1-CD1 3.85Å; I913-Y947 HydrophobicContact CD1-CE1 3.83Å; I913-P960 HydrophobicContact CD1-CG 3.88Å; I913-H962 HydrophobicContact CD1-CB 3.8Å; I913-H962 HydrophobicContact CG2-CB 4.3Å
914	S	81.2	Confident	88.1	Confident	25 Å²	25	34.7 Å²	34.7	18%	0.175	19%	0.191	C	C	.	.	S	Bend	trans	-86	-19.3	176.8	58.3	0	0	0	0	113.6	S433 E435 N916	S433-S914 PolarHBondContact OG-OG 2.88Å; E435-S914 WeakPolarHBondContact OE2-CA 3.44Å; E435-S914 WeakPolarHBondContact OE2-CB 3.48Å; S914-N916 PolarHBondContact O-N 3.33Å; S914-N916 PolarHBondContact O-ND2 2.91Å
915	T	86.4	Confident	87.4	Confident	4 Å²	4	35.7 Å²	35.7	3%	0.025	20%	0.195	C	C	.	.			trans	-62.6	120.6	-179.8	-46.4	0	0	0	0	109.6	K424 L917 L938 Y947 P960	K424-T915 PolarHBondContact NZ-OG1 2.97Å; T915-L917 HydrophobicContact CG2-CD2 4.39Å; T915-L938 HydrophobicContact CG2-CD1 4.4Å; T915-Y947 HydrophobicContact CG2-CD1 4.31Å; T915-Y947 HydrophobicContact CG2-CE1 3.83Å; T915-Y947 PolarHBondContact OG1-OH 3.23Å; T915-P960 WeakPolarHBondContact O-CD 3.44Å
916	N	87.5	Confident	86.8	Confident	9 Å²	9	37 Å²	37	5%	0.048	21%	0.208	C	C	.	.			trans	-107.7	150.4	172.2	-79.1	-101.6	0	0	0	109.7	S914 Y918 C957 G958 L959	S914-N916 PolarHBondContact O-N 3.33Å; S914-N916 PolarHBondContact O-ND2 2.91Å; N916-Y918 HydrophobicContact CB-CE2 3.7Å; N916-Y918 WeakPolarHBondContact CB-OH 3.45Å; N916-C957 WeakPolarHBondContact OD1-CB 3.43Å; N916-G958 CarbonylContact C-O 3.57Å; N916-G958 WeakPolarHBondContact CA-O 3.47Å; N916-L959 WeakPolarHBondContact OD1-CD2 3.4Å
917	L	86.1	Confident	86.2	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-122.7	140.4	-179.5	-63.5	-172.2	0	0	0	108.9	F286 T915 P928 L934 M949 G958 P960	F286-L917 HydrophobicContact CB-CD2 3.66Å; F286-L917 HydrophobicContact CD1-CB 3.54Å; F286-L917 HydrophobicContact CD1-CD1 3.99Å; F286-L917 HydrophobicContact CD1-CD2 3.49Å; F286-L917 VanDerWaalsContact CD1-CD2 3.49Å; F286-L917 HydrophobicContact CD1-CG 3.81Å; F286-L917 HydrophobicContact CE1-CB 4.03Å; F286-L917 HydrophobicContact CE1-CD1 4.28Å; F286-L917 HydrophobicContact CE1-CG 4.48Å; F286-L917 HydrophobicContact CG-CD2 3.73Å; T915-L917 HydrophobicContact CG2-CD2 4.39Å; L917-P928 HydrophobicContact CB-CG 3.79Å; L917-P928 WeakPolarHBondContact O-CD 3.28Å; L917-P928 WeakPolarHBondContact O-CG 3.36Å; L917-L934 HydrophobicContact CD2-CD2 4.16Å; L917-M949 HydrophobicContact CB-SD 4.15Å; L917-M949 HydrophobicContact CD1-CG 3.82Å; L917-M949 HydrophobicContact CD1-SD 3.87Å; L917-M949 HydrophobicContact CG-SD 4.41Å; L917-G958 PolarHBondContact N-O 3.03Å; L917-G958 WeakPolarHBondContact O-CA 3.3Å; L917-G958 PolarHBondContact O-N 3.48Å; L917-P960 HydrophobicContact CD1-CB 3.69Å; L917-P960 HydrophobicContact CD1-CG 3.68Å; L917-P960 HydrophobicContact CG-CB 4.28Å; L917-P960 HydrophobicContact CG-CG 3.72Å
918	Y	85.4	Confident	85.7	Confident	3 Å²	3	39.8 Å²	39.8	1%	0.012	23%	0.226	C	C	.	.			trans	-136.7	142.1	-179.4	-49.5	-87.9	0	0	0	108.4	S285 F286 F287 H585 T586 N916 G926 C957	S285-Y918 WeakPolarHBondContact CB-O 3.39Å; F286-Y918 PolarHBondContact N-O 3.17Å; F287-Y918 HydrophobicContact CB-CD2 3.97Å; F287-Y918 HydrophobicContact CB-CE2 4.29Å; F287-Y918 AromaticContact CD2-CD2 3.87Å; F287-Y918 HydrophobicContact CD2-CD2 3.87Å; F287-Y918 HydrophobicContact CD2-CG 4.39Å; F287-Y918 HydrophobicContact CG-CD2 4.33Å; H585-Y918 PolarHBondContact CE1-OH 3.31Å; H585-Y918 PolarHBondContact ND1-OH 2.76Å; T586-Y918 HydrophobicContact CG2-CD1 4.04Å; T586-Y918 HydrophobicContact CG2-CD2 4.3Å; T586-Y918 HydrophobicContact CG2-CE1 4.04Å; T586-Y918 HydrophobicContact CG2-CE2 4.31Å; T586-Y918 HydrophobicContact CG2-CG 4.16Å; N916-Y918 HydrophobicContact CB-CE2 3.7Å; N916-Y918 WeakPolarHBondContact CB-OH 3.45Å; Y918-G926 WeakPolarHBondContact CA-O 3.44Å; Y918-C957 HydrophobicContact CE1-CB 4Å
919	S	84.6	Confident	85.3	Confident	21 Å²	21	42.3 Å²	42.3	15%	0.147	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	143.9	162	50	0	0	0	0	108.8	F925 G926 T927	S919-F925 WeakPolarHBondContact O-CA 3.48Å; S919-G926 PolarHBondContact N-O 3.35Å; S919-G926 PolarHBondContact O-N 3.42Å; S919-G926 VanDerWaalsContact OG-CA 3.3Å; S919-G926 WeakPolarHBondContact OG-CA 3.45Å; S919-G926 PolarHBondContact OG-O 2.78Å; S919-T927 PolarHBondContact OG-N 2.99Å; S919-T927 PolarHBondContact OG-O 2.88Å
920	W	81.2	Confident	85	Confident	52 Å²	52	42.8 Å²	42.8	20%	0.197	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.1	169.2	-179	-124.4	0	0	0	107.4	S283 P284 N923 F925	S283-W920 WeakPolarHBondContact CB-O 3.46Å; P284-W920 WeakPolarHBondContact O-CB 3.37Å; W920-N923 HydrophobicContact CH2-CB 4.36Å; W920-N923 VanDerWaalsContact CH2-O 3.31Å; W920-N923 WeakPolarHBondContact CH2-O 3.22Å; W920-N923 WeakPolarHBondContact CH2-OD1 3.41Å; W920-N923 HydrophobicContact CZ2-CB 4.42Å; W920-N923 WeakPolarHBondContact CZ2-OD1 2.94Å; W920-N923 WeakPolarHBondContact CZ3-O 3.28Å; W920-F925 HydrophobicContact CD2-CD1 4.43Å; W920-F925 HydrophobicContact CD2-CE1 4.02Å; W920-F925 AromaticContact CE3-CD1 3.41Å; W920-F925 HydrophobicContact CE3-CD1 3.41Å; W920-F925 VanDerWaalsContact CE3-CD1 3.41Å; W920-F925 HydrophobicContact CE3-CD2 4.27Å; W920-F925 AromaticContact CE3-CE1 3.2Å; W920-F925 HydrophobicContact CE3-CE1 3.2Å; W920-F925 HydrophobicContact CE3-CE2 4.17Å; W920-F925 AromaticContact CE3-CG 3.94Å; W920-F925 HydrophobicContact CE3-CG 3.94Å; W920-F925 AromaticContact CE3-CZ 3.65Å; W920-F925 HydrophobicContact CE3-CZ 3.65Å; W920-F925 HydrophobicContact CH2-CE2 4.41Å; W920-F925 HydrophobicContact CH2-CZ 4.16Å; W920-F925 AromaticContact CZ3-CD1 3.86Å; W920-F925 HydrophobicContact CZ3-CD1 3.86Å; W920-F925 AromaticContact CZ3-CD2 3.87Å; W920-F925 HydrophobicContact CZ3-CD2 3.87Å; W920-F925 AromaticContact CZ3-CE1 3.52Å; W920-F925 HydrophobicContact CZ3-CE1 3.52Å; W920-F925 AromaticContact CZ3-CE2 3.6Å; W920-F925 HydrophobicContact CZ3-CE2 3.6Å; W920-F925 HydrophobicContact CZ3-CG 4.01Å; W920-F925 AromaticContact CZ3-CZ 3.42Å; W920-F925 HydrophobicContact CZ3-CZ 3.42Å; W920-F925 VanDerWaalsContact CZ3-CZ 3.42Å
921	A	75.4	Confident	84.9	Confident	48 Å²	48	42.1 Å²	42.1	40%	0.397	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	139.1	178.6	0	0	0	0	0	109.7	N923 S924	A921-N923 PolarHBondContact O-N 3.47Å; A921-N923 VanDerWaalsContact O-N 3.14Å; A921-S924 PolarHBondContact N-O 2.75Å; A921-S924 WeakPolarHBondContact O-CA 3.45Å; A921-S924 WeakPolarHBondContact O-CB 3.46Å; A921-S924 PolarHBondContact O-N 3.4Å; A921-S924 PolarHBondContact O-OG 2.99Å
922	S	76.5	Confident	85	Confident	124 Å²	124	40.8 Å²	40.8	87%	0.867	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.9	42.1	178.1	-53.5	0	0	0	0	113.8	S924	S922-S924 PolarHBondContact O-N 3.28Å
923	N	75.3	Confident	85.4	Confident	138 Å²	138	32.1 Å²	32.1	74%	0.738	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	23.3	-176.3	-157.7	37	0	0	0	115	W920 A921	W920-N923 HydrophobicContact CH2-CB 4.36Å; W920-N923 VanDerWaalsContact CH2-O 3.31Å; W920-N923 WeakPolarHBondContact CH2-O 3.22Å; W920-N923 WeakPolarHBondContact CH2-OD1 3.41Å; W920-N923 HydrophobicContact CZ2-CB 4.42Å; W920-N923 WeakPolarHBondContact CZ2-OD1 2.94Å; W920-N923 WeakPolarHBondContact CZ3-O 3.28Å; A921-N923 PolarHBondContact O-N 3.47Å; A921-N923 VanDerWaalsContact O-N 3.14Å
924	S	80.4	Confident	85.7	Confident	63 Å²	63	31.4 Å²	31.4	44%	0.441	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	154.6	-177.4	75.5	0	0	0	0	113.1	A921 S922	A921-S924 PolarHBondContact N-O 2.75Å; A921-S924 WeakPolarHBondContact O-CA 3.45Å; A921-S924 WeakPolarHBondContact O-CB 3.46Å; A921-S924 PolarHBondContact O-N 3.4Å; A921-S924 PolarHBondContact O-OG 2.99Å; S922-S924 PolarHBondContact O-N 3.28Å
925	F	83.5	Confident	86.3	Confident	22 Å²	22	30.2 Å²	30.2	10%	0.096	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	110.7	-178.3	-68	-64.8	0	0	0	112.9	F287 S582 E583 T586 I617 S919 W920	F287-F925 HydrophobicContact CD2-CE1 4.31Å; F287-F925 HydrophobicContact CE1-CE1 4.28Å; F287-F925 AromaticContact CE2-CD1 4Å; F287-F925 HydrophobicContact CE2-CD1 4Å; F287-F925 AromaticContact CE2-CE1 3.46Å; F287-F925 HydrophobicContact CE2-CE1 3.46Å; F287-F925 VanDerWaalsContact CE2-CE1 3.46Å; F287-F925 HydrophobicContact CE2-CZ 4.49Å; F287-F925 HydrophobicContact CZ-CD1 4.39Å; F287-F925 AromaticContact CZ-CE1 3.43Å; F287-F925 HydrophobicContact CZ-CE1 3.43Å; F287-F925 VanDerWaalsContact CZ-CE1 3.43Å; F287-F925 HydrophobicContact CZ-CZ 4.13Å; S582-F925 WeakPolarHBondContact CB-O 3.25Å; E583-F925 PolarHBondContact N-O 3.24Å; T586-F925 HydrophobicContact CG2-CB 4.15Å; T586-F925 HydrophobicContact CG2-CD1 4.13Å; T586-F925 HydrophobicContact CG2-CD2 3.9Å; T586-F925 HydrophobicContact CG2-CE2 4.28Å; T586-F925 HydrophobicContact CG2-CG 3.8Å; T586-F925 WeakPolarHBondContact OG1-CD2 3.38Å; I617-F925 HydrophobicContact CD1-CZ 4.31Å; S919-F925 WeakPolarHBondContact O-CA 3.48Å; W920-F925 HydrophobicContact CD2-CD1 4.43Å; W920-F925 HydrophobicContact CD2-CE1 4.02Å; W920-F925 AromaticContact CE3-CD1 3.41Å; W920-F925 HydrophobicContact CE3-CD1 3.41Å; W920-F925 VanDerWaalsContact CE3-CD1 3.41Å; W920-F925 HydrophobicContact CE3-CD2 4.27Å; W920-F925 AromaticContact CE3-CE1 3.2Å; W920-F925 HydrophobicContact CE3-CE1 3.2Å; W920-F925 HydrophobicContact CE3-CE2 4.17Å; W920-F925 AromaticContact CE3-CG 3.94Å; W920-F925 HydrophobicContact CE3-CG 3.94Å; W920-F925 AromaticContact CE3-CZ 3.65Å; W920-F925 HydrophobicContact CE3-CZ 3.65Å; W920-F925 HydrophobicContact CH2-CE2 4.41Å; W920-F925 HydrophobicContact CH2-CZ 4.16Å; W920-F925 AromaticContact CZ3-CD1 3.86Å; W920-F925 HydrophobicContact CZ3-CD1 3.86Å; W920-F925 AromaticContact CZ3-CD2 3.87Å; W920-F925 HydrophobicContact CZ3-CD2 3.87Å; W920-F925 AromaticContact CZ3-CE1 3.52Å; W920-F925 HydrophobicContact CZ3-CE1 3.52Å; W920-F925 AromaticContact CZ3-CE2 3.6Å; W920-F925 HydrophobicContact CZ3-CE2 3.6Å; W920-F925 HydrophobicContact CZ3-CG 4.01Å; W920-F925 AromaticContact CZ3-CZ 3.42Å; W920-F925 HydrophobicContact CZ3-CZ 3.42Å; W920-F925 VanDerWaalsContact CZ3-CZ 3.42Å
926	G	86.1	Confident	86.5	Confident	26 Å²	26	32.5 Å²	32.5	27%	0.268	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-179.4	178	0	0	0	0	0	114.1	S582 Y918 S919	S582-G926 PolarHBondContact OG-O 3.07Å; Y918-G926 WeakPolarHBondContact CA-O 3.44Å; S919-G926 PolarHBondContact N-O 3.35Å; S919-G926 PolarHBondContact O-N 3.42Å; S919-G926 VanDerWaalsContact OG-CA 3.3Å; S919-G926 WeakPolarHBondContact OG-CA 3.45Å; S919-G926 PolarHBondContact OG-O 2.78Å
927	T	86.1	Confident	86.4	Confident	55 Å²	55	33.5 Å²	33.5	34%	0.337	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-79.2	140.2	165.2	45.4	0	0	0	0	110.1	S919 I953	S919-T927 PolarHBondContact OG-N 2.99Å; S919-T927 PolarHBondContact OG-O 2.88Å; T927-I953 HydrophobicContact CG2-CB 4.13Å; T927-I953 HydrophobicContact CG2-CG2 3.88Å
928	P	87.7	Confident	86.4	Confident	6 Å²	6	33.5 Å²	33.5	4%	0.039	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-65.9	146.6	174.1	-15.8	28	0	0	0	111.7	F286 L917 T932 M949	F286-P928 HydrophobicContact CE1-CB 4.26Å; F286-P928 HydrophobicContact CE1-CG 4.19Å; L917-P928 HydrophobicContact CB-CG 3.79Å; L917-P928 WeakPolarHBondContact O-CD 3.28Å; L917-P928 WeakPolarHBondContact O-CG 3.36Å; P928-T932 HydrophobicContact CB-CG2 4.01Å; P928-M949 HydrophobicContact CB-CG 4.07Å; P928-M949 HydrophobicContact CG-CG 4.28Å
929	P	89.7	Confident	86.7	Confident	53 Å²	53	33.4 Å²	33.4	34%	0.344	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-68.1	153	175.1	28.3	-33.8	0	0	0	111.7	T624 T932	T624-P929 HydrophobicContact CG2-CG 4.43Å; P929-T932 WeakPolarHBondContact CD-OG1 3.28Å; P929-T932 WeakPolarHBondContact CG-OG1 3.21Å; P929-T932 VanDerWaalsContact O-CB 3.22Å; P929-T932 WeakPolarHBondContact O-CB 3.25Å; P929-T932 PolarHBondContact O-N 3.48Å; P929-T932 PolarHBondContact O-OG1 3.07Å
930	P	92.4	Very high	86.8	Confident	10 Å²	10	34.9 Å²	34.9	7%	0.065	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	145	170.4	-22.8	32.7	0	0	0	112.3	V643 T932 M949 H952	V643-P930 HydrophobicContact CB-CB 4.33Å; V643-P930 HydrophobicContact CB-CG 4.41Å; V643-P930 HydrophobicContact CG1-CB 3.67Å; V643-P930 HydrophobicContact CG1-CG 3.99Å; V643-P930 HydrophobicContact CG2-CB 3.69Å; V643-P930 HydrophobicContact CG2-CG 3.52Å; P930-T932 VanDerWaalsContact C-N 3.27Å; P930-T932 PolarHBondContact O-N 2.85Å; P930-M949 CarbonylContact C-O 3.55Å; P930-M949 WeakPolarHBondContact CA-O 3.05Å; P930-H952 HydrophobicContact CG-CB 3.94Å
931	G	93.2	Very high	86.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	-3.5	-175.4	0	0	0	0	0	114.3	L625 V933 M949	L625-G931 WeakPolarHBondContact CB-O 3.39Å; L625-G931 WeakPolarHBondContact CG-O 3.17Å; L625-G931 PolarHBondContact N-O 2.98Å; G931-V933 PolarHBondContact O-N 3.33Å; G931-M949 PolarHBondContact N-O 2.77Å
932	T	93.8	Very high	87.4	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	130.8	172.9	-70.6	0	0	0	0	112.1	I281 F286 R623 P928 P929 P930 L948 M949	I281-T932 HydrophobicContact CD1-CG2 3.86Å; F286-T932 HydrophobicContact CE1-CG2 3.41Å; F286-T932 VanDerWaalsContact CE1-CG2 3.41Å; F286-T932 HydrophobicContact CE2-CG2 4.21Å; F286-T932 HydrophobicContact CZ-CG2 3.17Å; R623-T932 CarbonylContact O-C 3.6Å; R623-T932 WeakPolarHBondContact O-CA 3.38Å; P928-T932 HydrophobicContact CB-CG2 4.01Å; P929-T932 WeakPolarHBondContact CD-OG1 3.28Å; P929-T932 WeakPolarHBondContact CG-OG1 3.21Å; P929-T932 VanDerWaalsContact O-CB 3.22Å; P929-T932 WeakPolarHBondContact O-CB 3.25Å; P929-T932 PolarHBondContact O-N 3.48Å; P929-T932 PolarHBondContact O-OG1 3.07Å; P930-T932 VanDerWaalsContact C-N 3.27Å; P930-T932 PolarHBondContact O-N 2.85Å; T932-L948 WeakPolarHBondContact O-CA 3.29Å; T932-M949 HydrophobicContact CG2-CB 4.48Å; T932-M949 HydrophobicContact CG2-CG 4.06Å; T932-M949 PolarHBondContact O-N 2.87Å
933	V	95	Very high	88.1	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	140.9	178.2	173.8	0	0	0	0	111.3	R623 L625 G931 D935 F946 Y947 L948 Q978	R623-V933 PolarHBondContact N-O 2.86Å; R623-V933 VanDerWaalsContact N-O 3.14Å; R623-V933 PolarHBondContact O-N 3.06Å; L625-V933 HydrophobicContact CD1-CG2 3.77Å; L625-V933 HydrophobicContact CD2-CG2 4.44Å; L625-V933 HydrophobicContact CG-CG2 3.82Å; G931-V933 PolarHBondContact O-N 3.33Å; V933-D935 HydrophobicContact CG1-CB 4.24Å; V933-F946 HydrophobicContact CG1-CB 4.37Å; V933-Y947 VanDerWaalsContact CA-O 3.3Å; V933-Y947 WeakPolarHBondContact CA-O 3.38Å; V933-L948 HydrophobicContact CG2-CB 4.33Å; V933-L948 HydrophobicContact CG2-CD1 3.73Å; V933-Q978 HydrophobicContact CG1-CG 4.23Å
934	L	92.8	Very high	89	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	119.3	165.5	174.3	66	0	0	0	109.1	F286 I620 Q621 L917 H936 L938 Y947	F286-L934 HydrophobicContact CB-CD2 3.91Å; F286-L934 HydrophobicContact CD2-CB 4.1Å; F286-L934 HydrophobicContact CD2-CD1 4.14Å; F286-L934 HydrophobicContact CD2-CD2 4.19Å; F286-L934 HydrophobicContact CD2-CG 4.38Å; F286-L934 HydrophobicContact CG-CB 4.49Å; F286-L934 HydrophobicContact CG-CD2 4.11Å; I620-L934 HydrophobicContact CD1-CD2 4.46Å; I620-L934 HydrophobicContact CG2-CD1 3.97Å; Q621-L934 WeakPolarHBondContact O-CD1 3.1Å; L917-L934 HydrophobicContact CD2-CD2 4.16Å; L934-H936 WeakPolarHBondContact CD1-O 3.35Å; L934-L938 HydrophobicContact CD2-CB 4.19Å; L934-L938 HydrophobicContact CD2-CD1 3.87Å; L934-L938 HydrophobicContact CD2-CG 4.15Å; L934-Y947 PolarHBondContact N-O 3.07Å; L934-Y947 PolarHBondContact O-N 2.86Å
935	D	93.4	Very high	89.7	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.147	C	C	.	.			trans	-130.7	11.8	-171	57.6	-18.6	0	0	0	113.9	T274 G275 R623 V933 T939 F946 Q978	T274-D935 WeakPolarHBondContact CA-OD2 3.19Å; G275-D935 PolarHBondContact N-OD2 3.23Å; R623-D935 IonicContact CZ-OD2 3.51Å; R623-D935 VanDerWaalsContact NH2-CG 3.3Å; R623-D935 IonicContact NH2-OD1 3.55Å; R623-D935 PolarHBondContact NH2-OD1 2.81Å; R623-D935 IonicContact NH2-OD2 2.75Å; R623-D935 PolarHBondContact NH2-OD2 3.09Å; V933-D935 HydrophobicContact CG1-CB 4.24Å; D935-T939 PolarHBondContact O-OG1 2.97Å; D935-F946 HydrophobicContact CB-CB 3.7Å; D935-Q978 PolarHBondContact OD2-NE2 2.98Å
936	H	89.9	Confident	90.3	Very high	52 Å²	52	26 Å²	26	24%	0.241	14%	0.143	C	C	.	.	S	Bend	trans	-140.8	172.6	174.5	64.9	84.3	0	0	0	110.9	Q621 L934 L938 T939	Q621-H936 PolarHBondContact O-NE2 3.49Å; L934-H936 WeakPolarHBondContact CD1-O 3.35Å; H936-L938 PolarHBondContact O-N 3.13Å; H936-T939 WeakPolarHBondContact CA-OG1 3.45Å; H936-T939 PolarHBondContact N-OG1 3.06Å
937	T	86	Confident	90.8	Very high	30 Å²	30	25.2 Å²	25.2	18%	0.184	13%	0.132	C	C	.	.	S	Bend	trans	66	-55.6	176.6	-52.9	0	0	0	0	115.6	T426 D427 G428 Y431 L618 I620	T426-T937 WeakPolarHBondContact CB-O 3.47Å; T426-T937 PolarHBondContact OG1-O 3.44Å; D427-T937 PolarHBondContact N-O 3Å; G428-T937 PolarHBondContact N-O 3.14Å; Y431-T937 HydrophobicContact CE2-CG2 4.32Å; L618-T937 HydrophobicContact CD2-CG2 4.42Å; I620-T937 HydrophobicContact CD1-CG2 3.91Å; I620-T937 HydrophobicContact CG1-CG2 4.45Å; I620-T937 HydrophobicContact CG2-CG2 4.4Å
938	L	86.8	Confident	91.3	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	12%	0.116	C	C	.	.	S	Bend	trans	-97.9	6.3	-179.4	-58.2	-174.3	0	0	0	114.1	E288 T426 Y431 L618 I620 T915 L934 H936 Y947	E288-L938 HydrophobicContact CB-CD1 3.84Å; E288-L938 HydrophobicContact CB-CD2 3.85Å; T426-L938 WeakPolarHBondContact CG2-O 3.43Å; Y431-L938 HydrophobicContact CD2-CD2 3.99Å; Y431-L938 HydrophobicContact CE2-CD2 4.17Å; Y431-L938 HydrophobicContact CG-CD2 4.46Å; L618-L938 HydrophobicContact CD2-CD2 4.41Å; I620-L938 HydrophobicContact CD1-CD1 3.67Å; I620-L938 HydrophobicContact CD1-CD2 3.97Å; I620-L938 HydrophobicContact CD1-CG 3.53Å; T915-L938 HydrophobicContact CG2-CD1 4.4Å; L934-L938 HydrophobicContact CD2-CB 4.19Å; L934-L938 HydrophobicContact CD2-CD1 3.87Å; L934-L938 HydrophobicContact CD2-CG 4.15Å; H936-L938 PolarHBondContact O-N 3.13Å; L938-Y947 HydrophobicContact CB-CE2 4.3Å; L938-Y947 WeakPolarHBondContact O-CE2 3.46Å; L938-Y947 PolarHBondContact O-OH 2.8Å
939	T	90.1	Very high	91.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-93.9	166.4	-177.5	34.4	0	0	0	0	112.4	T426 D427 D935 H936 D945 Y947	T426-T939 CarbonylContact C-O 3.43Å; T426-T939 VanDerWaalsContact CA-O 3.24Å; T426-T939 WeakPolarHBondContact CA-O 3.37Å; T426-T939 VanDerWaalsContact CB-O 3.26Å; T426-T939 WeakPolarHBondContact CB-O 3.12Å; D427-T939 PolarHBondContact N-O 2.78Å; D427-T939 WeakPolarHBondContact OD2-CB 3.38Å; D427-T939 PolarHBondContact OD2-OG1 3.32Å; D935-T939 PolarHBondContact O-OG1 2.97Å; H936-T939 WeakPolarHBondContact CA-OG1 3.45Å; H936-T939 PolarHBondContact N-OG1 3.06Å; T939-D945 WeakPolarHBondContact CA-OD2 3.34Å; T939-D945 WeakPolarHBondContact CB-OD1 3.39Å; T939-D945 WeakPolarHBondContact CB-OD2 3.03Å; T939-D945 WeakPolarHBondContact CG2-O 3.47Å; T939-D945 WeakPolarHBondContact CG2-OD2 3.08Å; T939-Y947 HydrophobicContact CG2-CD2 4.16Å; T939-Y947 HydrophobicContact CG2-CE2 4.06Å
940	H	86.8	Confident	91.9	Very high	53 Å²	53	19.8 Å²	19.8	25%	0.245	10%	0.098	C	C	.	.			trans	-85	125.3	-173	-73.9	-87.1	0	0	0	113.6	K273 D942 W943 D945 H962	K273-H940 VanDerWaalsContact NZ-C 3.34Å; K273-H940 PolarHBondContact NZ-O 2.78Å; H940-D942 PolarHBondContact O-N 2.84Å; H940-W943 HydrophobicContact CB-CB 4.46Å; H940-W943 PolarHBondContact O-N 2.97Å; H940-D945 IonicContact CD2-OD2 2.78Å; H940-D945 PolarHBondContact CD2-OD2 2.94Å; H940-D945 IonicContact CG-OD2 3.63Å; H940-D945 VanDerWaalsContact N-CG 3.31Å; H940-D945 PolarHBondContact N-OD1 2.73Å; H940-D945 VanDerWaalsContact N-OD1 3.15Å; H940-D945 PolarHBondContact N-OD2 3.24Å; H940-H962 AromaticContact CD2-CE1 3.53Å; H940-H962 AromaticContact CD2-NE2 3.89Å; H940-H962 AromaticContact NE2-CE1 3.59Å
941	K	83.3	Confident	91.8	Very high	87 Å²	87	21.1 Å²	21.1	38%	0.378	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-32	179.9	-66	-175.4	179.6	-63.2	0	115.1	T426 D427	T426-K941 WeakPolarHBondContact O-CE 3.32Å; T426-K941 PolarHBondContact O-NZ 2.99Å; D427-K941 PolarHBondContact O-NZ 3Å; D427-K941 VanDerWaalsContact OD1-CA 3.3Å; D427-K941 WeakPolarHBondContact OD1-CA 3.46Å; D427-K941 PolarHBondContact OD1-N 3.48Å
942	D	86.6	Confident	91.6	Very high	101 Å²	101	25 Å²	25	54%	0.54	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-7.9	-171.6	-60.5	-30.6	0	0	0	114.4	I271 H940	I271-D942 WeakPolarHBondContact CD1-O 3.26Å; H940-D942 PolarHBondContact O-N 2.84Å
943	W	90.9	Very high	91.1	Very high	34 Å²	34	25.9 Å²	25.9	13%	0.129	13%	0.126	C	C	.	.	S	Bend	trans	-134.4	163.2	-169.1	-59.5	108	0	0	0	113.2	K273 H940 I964 L966	K273-W943 WeakPolarHBondContact CD-O 3.49Å; K273-W943 PolarHBondContact NZ-O 3.49Å; H940-W943 HydrophobicContact CB-CB 4.46Å; H940-W943 PolarHBondContact O-N 2.97Å; W943-I964 HydrophobicContact CB-CG2 3.74Å; W943-I964 HydrophobicContact CD2-CG2 4.27Å; W943-I964 HydrophobicContact CG-CG2 3.78Å; W943-L966 HydrophobicContact CD2-CD2 3.85Å; W943-L966 HydrophobicContact CE3-CD2 3.65Å; W943-L966 HydrophobicContact CH2-CD2 3.77Å; W943-L966 HydrophobicContact CZ2-CD2 3.93Å; W943-L966 HydrophobicContact CZ3-CB 4.27Å; W943-L966 HydrophobicContact CZ3-CD2 3.61Å
944	V	94.3	Very high	90.4	Very high	34 Å²	34	34.4 Å²	34.4	21%	0.206	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	97.4	163.8	177	0	0	0	0	107.8	I271 K273 S965 L977	I271-V944 HydrophobicContact CG2-CG2 3.55Å; K273-V944 HydrophobicContact CB-CB 4.34Å; K273-V944 HydrophobicContact CB-CG1 3.95Å; K273-V944 HydrophobicContact CB-CG2 4.34Å; V944-S965 VanDerWaalsContact O-CB 3.28Å; V944-S965 WeakPolarHBondContact O-CB 3.38Å; V944-S965 PolarHBondContact O-N 3.43Å; V944-L977 HydrophobicContact CG1-CD1 4Å
945	D	95.8	Very high	89.6	Confident	1 Å²	1	41 Å²	41	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	155.6	-173.4	67.8	-50.1	0	0	0	113.5	K273 T939 H940 H962 Y963 I964	K273-D945 WeakPolarHBondContact CD-OD1 3.35Å; K273-D945 IonicContact NZ-OD1 3.21Å; K273-D945 PolarHBondContact NZ-OD1 3.03Å; T939-D945 WeakPolarHBondContact CA-OD2 3.34Å; T939-D945 WeakPolarHBondContact CB-OD1 3.39Å; T939-D945 WeakPolarHBondContact CB-OD2 3.03Å; T939-D945 WeakPolarHBondContact CG2-O 3.47Å; T939-D945 WeakPolarHBondContact CG2-OD2 3.08Å; H940-D945 IonicContact CD2-OD2 2.78Å; H940-D945 PolarHBondContact CD2-OD2 2.94Å; H940-D945 IonicContact CG-OD2 3.63Å; H940-D945 VanDerWaalsContact N-CG 3.31Å; H940-D945 PolarHBondContact N-OD1 2.73Å; H940-D945 VanDerWaalsContact N-OD1 3.15Å; H940-D945 PolarHBondContact N-OD2 3.24Å; D945-H962 IonicContact OD2-NE2 3.45Å; D945-H962 PolarHBondContact OD2-NE2 3.38Å; D945-Y963 CarbonylContact C-O 3.36Å; D945-Y963 WeakPolarHBondContact CA-O 3.5Å; D945-Y963 WeakPolarHBondContact CB-O 3.38Å; D945-I964 HydrophobicContact CB-CB 4.36Å; D945-I964 HydrophobicContact CB-CG1 4.12Å; D945-I964 HydrophobicContact CB-CG2 4.29Å
946	F	96.6	Very high	89.1	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	152.7	178	61.6	-87.4	0	0	0	112.9	V933 D935 L948 Y963 L977 Q978 T981	V933-F946 HydrophobicContact CG1-CB 4.37Å; D935-F946 HydrophobicContact CB-CB 3.7Å; F946-L948 HydrophobicContact CD2-CB 4.16Å; F946-L948 HydrophobicContact CE2-CB 4.15Å; F946-Y963 HydrophobicContact CD2-CD2 4.04Å; F946-Y963 HydrophobicContact CD2-CG 4.45Å; F946-Y963 AromaticContact CE2-CD2 3.62Å; F946-Y963 HydrophobicContact CE2-CD2 3.62Å; F946-Y963 HydrophobicContact CE2-CE2 4.43Å; F946-Y963 AromaticContact CE2-CG 3.83Å; F946-Y963 HydrophobicContact CE2-CG 3.83Å; F946-Y963 HydrophobicContact CZ-CD2 4.23Å; F946-Y963 AromaticContact CZ-CG 3.96Å; F946-Y963 HydrophobicContact CZ-CG 3.96Å; F946-Y963 PolarHBondContact N-O 3.16Å; F946-Y963 PolarHBondContact O-N 3.14Å; F946-L977 HydrophobicContact CE1-CB 4.19Å; F946-Q978 HydrophobicContact CB-CG 4.46Å; F946-Q978 HydrophobicContact CD1-CG 3.87Å; F946-Q978 HydrophobicContact CD2-CG 3.84Å; F946-Q978 HydrophobicContact CE1-CG 3.99Å; F946-Q978 HydrophobicContact CE2-CB 4.43Å; F946-Q978 HydrophobicContact CE2-CG 3.97Å; F946-Q978 HydrophobicContact CG-CG 3.8Å; F946-Q978 HydrophobicContact CZ-CG 4.05Å; F946-T981 HydrophobicContact CE2-CG2 4.35Å; F946-T981 HydrophobicContact CZ-CG2 4.29Å
947	Y	96	Very high	88.8	Confident	9 Å²	9	40 Å²	40	4%	0.035	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	137.1	167.6	-60.7	-96.2	0	0	0	109.6	I913 T915 V933 L934 L938 T939 P960 T961 H962	I913-Y947 HydrophobicContact CD1-CD1 3.85Å; I913-Y947 HydrophobicContact CD1-CE1 3.83Å; T915-Y947 HydrophobicContact CG2-CD1 4.31Å; T915-Y947 HydrophobicContact CG2-CE1 3.83Å; T915-Y947 PolarHBondContact OG1-OH 3.23Å; V933-Y947 VanDerWaalsContact CA-O 3.3Å; V933-Y947 WeakPolarHBondContact CA-O 3.38Å; L934-Y947 PolarHBondContact N-O 3.07Å; L934-Y947 PolarHBondContact O-N 2.86Å; L938-Y947 HydrophobicContact CB-CE2 4.3Å; L938-Y947 WeakPolarHBondContact O-CE2 3.46Å; L938-Y947 PolarHBondContact O-OH 2.8Å; T939-Y947 HydrophobicContact CG2-CD2 4.16Å; T939-Y947 HydrophobicContact CG2-CE2 4.06Å; Y947-P960 HydrophobicContact CD1-CB 4.31Å; Y947-P960 HydrophobicContact CD1-CG 3.92Å; Y947-T961 WeakPolarHBondContact CA-O 3.38Å; Y947-H962 HydrophobicContact CD1-CB 3.73Å; Y947-H962 AromaticContact CD1-CD2 3.91Å; Y947-H962 AromaticContact CD2-CD2 3.97Å; Y947-H962 HydrophobicContact CE1-CB 3.74Å; Y947-H962 AromaticContact CE1-CD2 3.71Å; Y947-H962 AromaticContact CE1-CG 3.81Å; Y947-H962 AromaticContact CE2-CD2 3.77Å; Y947-H962 AromaticContact CZ-CD2 3.65Å; Y947-H962 AromaticContact CZ-NE2 4Å
948	L	96.3	Very high	88.6	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	127	177.1	163.4	68.2	0	0	0	111.3	L625 T932 V933 F946 A950 T961 Y963 T981 F982	L625-L948 HydrophobicContact CD1-CD1 4.33Å; T932-L948 WeakPolarHBondContact O-CA 3.29Å; V933-L948 HydrophobicContact CG2-CB 4.33Å; V933-L948 HydrophobicContact CG2-CD1 3.73Å; F946-L948 HydrophobicContact CD2-CB 4.16Å; F946-L948 HydrophobicContact CE2-CB 4.15Å; L948-A950 HydrophobicContact CD2-CB 4.29Å; L948-A950 HydrophobicContact CG-CB 4.14Å; L948-A950 PolarHBondContact O-N 3.26Å; L948-T961 PolarHBondContact N-O 2.73Å; L948-T961 PolarHBondContact O-N 2.86Å; L948-T961 VanDerWaalsContact O-N 3.08Å; L948-Y963 HydrophobicContact CB-CD2 4.17Å; L948-Y963 HydrophobicContact CB-CE2 3.84Å; L948-Y963 HydrophobicContact CD2-CE2 4.2Å; L948-Y963 HydrophobicContact CG-CE2 4.44Å; L948-T981 HydrophobicContact CD2-CG2 3.98Å; L948-F982 HydrophobicContact CD1-CB 4.48Å; L948-F982 HydrophobicContact CD1-CD2 4.13Å; L948-F982 HydrophobicContact CD1-CG 4.48Å; L948-F982 HydrophobicContact CD2-CB 4.03Å; L948-F982 HydrophobicContact CD2-CD2 4.45Å
949	M	94.3	Very high	88.7	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	77.1	168.8	-63.8	-61.5	-54.8	0	0	109.8	L917 P928 P930 G931 T932 H951 I953 P960	L917-M949 HydrophobicContact CB-SD 4.15Å; L917-M949 HydrophobicContact CD1-CG 3.82Å; L917-M949 HydrophobicContact CD1-SD 3.87Å; L917-M949 HydrophobicContact CG-SD 4.41Å; P928-M949 HydrophobicContact CB-CG 4.07Å; P928-M949 HydrophobicContact CG-CG 4.28Å; P930-M949 CarbonylContact C-O 3.55Å; P930-M949 WeakPolarHBondContact CA-O 3.05Å; G931-M949 PolarHBondContact N-O 2.77Å; T932-M949 HydrophobicContact CG2-CB 4.48Å; T932-M949 HydrophobicContact CG2-CG 4.06Å; T932-M949 PolarHBondContact O-N 2.87Å; M949-H951 PolarHBondContact O-N 2.85Å; M949-I953 HydrophobicContact CE-CD1 3.4Å; M949-I953 VanDerWaalsContact CE-CD1 3.4Å; M949-P960 WeakPolarHBondContact SD-CA 3.31Å; M949-P960 HydrophobicContact SD-CB 3.67Å; M949-P960 HydrophobicContact SD-CG 4.31Å; M949-P960 VanDerWaalsContact SD-N 3.37Å
950	A	94.8	Very high	88.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.19	C	C	.	.			trans	-69.6	-12.4	-175.1	0	0	0	0	0	115	L948 F982 C985 T994 I995	L948-A950 HydrophobicContact CD2-CB 4.29Å; L948-A950 HydrophobicContact CG-CB 4.14Å; L948-A950 PolarHBondContact O-N 3.26Å; A950-F982 HydrophobicContact CB-CD2 4.4Å; A950-C985 HydrophobicContact CB-CB 3.81Å; A950-C985 VanDerWaalsContact CB-SG 3.59Å; A950-T994 WeakPolarHBondContact O-CB 3.4Å; A950-T994 PolarHBondContact O-OG1 3.41Å; A950-I995 WeakPolarHBondContact CB-O 3.44Å
951	H	91.3	Very high	89.3	Confident	37 Å²	37	37.9 Å²	37.9	17%	0.171	18%	0.179	C	C	.	.	S	Bend	trans	-140	150.5	-164.2	70.4	-63.6	0	0	0	113.8	M949	M949-H951 PolarHBondContact O-N 2.85Å
952	H	88.5	Confident	89.9	Confident	81 Å²	81	33.8 Å²	33.8	38%	0.375	16%	0.161	S	C	.	.			trans	-75.7	127.2	176.1	-177.6	-64.7	0	0	0	112.1	V643 P930	V643-H952 HydrophobicContact CG2-CB 4.02Å; P930-H952 HydrophobicContact CG-CB 3.94Å
953	I	83.9	Confident	90.5	Very high	20 Å²	20	29 Å²	29	10%	0.103	14%	0.135	C	C	.	.			trans	-91.7	127.4	177.3	-70.6	156.1	0	0	0	110.8	T927 M949 Q955 C957 G958	T927-I953 HydrophobicContact CG2-CB 4.13Å; T927-I953 HydrophobicContact CG2-CG2 3.88Å; M949-I953 HydrophobicContact CE-CD1 3.4Å; M949-I953 VanDerWaalsContact CE-CD1 3.4Å; I953-Q955 VanDerWaalsContact CG2-O 3.28Å; I953-Q955 WeakPolarHBondContact CG2-O 3.27Å; I953-C957 WeakPolarHBondContact CD1-O 3.34Å; I953-G958 VanDerWaalsContact CD1-CA 3.5Å
954	R	79.6	Confident	90.8	Very high	178 Å²	178	27.4 Å²	27.4	67%	0.672	13%	0.129	S	C	*	.	S	Bend	trans	-93.5	-27.1	180	-63.1	-177.9	179.6	-176	-0.3	113.6
955	Q	76.5	Confident	90.9	Very high	140 Å²	140	26.2 Å²	26.2	65%	0.654	12%	0.122	S	C	*	.	S	Bend	trans	-155.3	145.7	-179.3	-64.2	-175.1	-50.4	0	0	108.3	I953	I953-Q955 VanDerWaalsContact CG2-O 3.28Å; I953-Q955 WeakPolarHBondContact CG2-O 3.27Å
956	G	82.8	Confident	90.9	Very high	16 Å²	16	26.7 Å²	26.7	17%	0.165	13%	0.125	C	C	.	.	S	Bend	trans	96.3	-158.2	-179.6	0	0	0	0	0	114.7	V580	V580-G956 CarbonylContact O-C 3.57Å; V580-G956 WeakPolarHBondContact O-CA 3.49Å
957	C	82.9	Confident	90.9	Very high	14 Å²	14	30.5 Å²	30.5	10%	0.095	14%	0.14	C	C	.	.			trans	-104.1	165.2	-177.6	-66.1	0	0	0	0	112.9	V580 S581 H585 N916 Y918 I953 L959	V580-C957 PolarHBondContact O-SG 3.35Å; V580-C957 VanDerWaalsContact O-SG 3.34Å; S581-C957 PolarHBondContact O-SG 2.76Å; H585-C957 WeakPolarHBondContact CB-SG 3.23Å; H585-C957 VanDerWaalsContact CD2-SG 3.58Å; N916-C957 WeakPolarHBondContact OD1-CB 3.43Å; Y918-C957 HydrophobicContact CE1-CB 4Å; I953-C957 WeakPolarHBondContact CD1-O 3.34Å; C957-L959 PolarHBondContact O-N 2.88Å
958	G	82.3	Confident	90.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-68	96.7	175.2	0	0	0	0	0	113.3	N916 L917 I953 P960	N916-G958 CarbonylContact C-O 3.57Å; N916-G958 WeakPolarHBondContact CA-O 3.47Å; L917-G958 PolarHBondContact N-O 3.03Å; L917-G958 WeakPolarHBondContact O-CA 3.3Å; L917-G958 PolarHBondContact O-N 3.48Å; I953-G958 VanDerWaalsContact CD1-CA 3.5Å; G958-P960 WeakPolarHBondContact O-CD 3.39Å
959	L	88.6	Confident	90.9	Very high	38 Å²	38	34.8 Å²	34.8	20%	0.199	17%	0.166	C	C	.	.			trans	-99.1	95.6	175.4	-69.9	174.9	0	0	0	111	L38 N916 C957 R996	L38-L959 HydrophobicContact CD2-CD1 4.2Å; N916-L959 WeakPolarHBondContact OD1-CD2 3.4Å; C957-L959 PolarHBondContact O-N 2.88Å; L959-R996 PolarHBondContact O-NE 2.84Å
960	P	93	Very high	90.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.172	C	C	.	.			trans	-66	173.3	177.7	26.9	-36.1	0	0	0	112.8	I913 T915 L917 Y947 M949 G958 R996	I913-P960 HydrophobicContact CD1-CG 3.88Å; T915-P960 WeakPolarHBondContact O-CD 3.44Å; L917-P960 HydrophobicContact CD1-CB 3.69Å; L917-P960 HydrophobicContact CD1-CG 3.68Å; L917-P960 HydrophobicContact CG-CB 4.28Å; L917-P960 HydrophobicContact CG-CG 3.72Å; Y947-P960 HydrophobicContact CD1-CB 4.31Å; Y947-P960 HydrophobicContact CD1-CG 3.92Å; M949-P960 WeakPolarHBondContact SD-CA 3.31Å; M949-P960 HydrophobicContact SD-CB 3.67Å; M949-P960 HydrophobicContact SD-CG 4.31Å; M949-P960 VanDerWaalsContact SD-N 3.37Å; G958-P960 WeakPolarHBondContact O-CD 3.39Å; P960-R996 PolarHBondContact O-NE 2.85Å; P960-R996 PolarHBondContact O-NH2 2.83Å
961	T	96.8	Very high	90.6	Very high	1 Å²	1	42 Å²	42	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	137.5	155.3	-59.2	0	0	0	0	108	V909 Y947 L948 Y963 R996 V997	V909-T961 HydrophobicContact CG1-CG2 3.54Å; Y947-T961 WeakPolarHBondContact CA-O 3.38Å; L948-T961 PolarHBondContact N-O 2.73Å; L948-T961 PolarHBondContact O-N 2.86Å; L948-T961 VanDerWaalsContact O-N 3.08Å; T961-Y963 HydrophobicContact CG2-CD2 4.3Å; T961-Y963 HydrophobicContact CG2-CE1 3.98Å; T961-Y963 HydrophobicContact CG2-CE2 3.59Å; T961-Y963 VanDerWaalsContact CG2-CZ 3.41Å; T961-Y963 WeakPolarHBondContact CG2-OH 3.43Å; T961-Y963 WeakPolarHBondContact O-CD2 3.24Å; T961-Y963 VanDerWaalsContact O-CE2 3.28Å; T961-Y963 WeakPolarHBondContact O-CE2 3.49Å; T961-R996 WeakPolarHBondContact CB-O 3.1Å; T961-R996 WeakPolarHBondContact OG1-CG 3.42Å; T961-R996 PolarHBondContact OG1-O 3.36Å; T961-V997 HydrophobicContact CG2-CG1 4.17Å
962	H	96.7	Very high	90.8	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.009	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	138.8	176.6	177	-131.4	0	0	0	109.7	Q910 I913 H940 D945 Y947 I964	Q910-H962 HydrophobicContact CB-CB 4.13Å; Q910-H962 PolarHBondContact N-O 3.28Å; Q910-H962 PolarHBondContact O-N 2.86Å; Q910-H962 VanDerWaalsContact O-N 3.16Å; Q910-H962 PolarHBondContact OE1-ND1 3.38Å; I913-H962 HydrophobicContact CD1-CB 3.8Å; I913-H962 HydrophobicContact CG2-CB 4.3Å; H940-H962 AromaticContact CD2-CE1 3.53Å; H940-H962 AromaticContact CD2-NE2 3.89Å; H940-H962 AromaticContact NE2-CE1 3.59Å; D945-H962 IonicContact OD2-NE2 3.45Å; D945-H962 PolarHBondContact OD2-NE2 3.38Å; Y947-H962 HydrophobicContact CD1-CB 3.73Å; Y947-H962 AromaticContact CD1-CD2 3.91Å; Y947-H962 AromaticContact CD2-CD2 3.97Å; Y947-H962 HydrophobicContact CE1-CB 3.74Å; Y947-H962 AromaticContact CE1-CD2 3.71Å; Y947-H962 AromaticContact CE1-CG 3.81Å; Y947-H962 AromaticContact CE2-CD2 3.77Å; Y947-H962 AromaticContact CZ-CD2 3.65Å; Y947-H962 AromaticContact CZ-NE2 4Å; H962-I964 VanDerWaalsContact CE1-CG1 3.49Å; H962-I964 WeakPolarHBondContact CE1-CG1 3.49Å
963	Y	98.1	Very high	91.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	124.1	-172.8	-63.9	-88.2	0	0	0	109.1	I907 V908 V909 D945 F946 L948 T961 T981 R996 P998	I907-Y963 HydrophobicContact CG2-CD1 4.11Å; V908-Y963 WeakPolarHBondContact O-CA 3.45Å; V909-Y963 HydrophobicContact CB-CD1 4.48Å; V909-Y963 HydrophobicContact CB-CE1 4.36Å; V909-Y963 HydrophobicContact CG1-CD1 4.29Å; V909-Y963 HydrophobicContact CG1-CE1 3.77Å; V909-Y963 HydrophobicContact CG2-CD1 3.94Å; V909-Y963 HydrophobicContact CG2-CE1 3.9Å; D945-Y963 CarbonylContact C-O 3.36Å; D945-Y963 WeakPolarHBondContact CA-O 3.5Å; D945-Y963 WeakPolarHBondContact CB-O 3.38Å; F946-Y963 HydrophobicContact CD2-CD2 4.04Å; F946-Y963 HydrophobicContact CD2-CG 4.45Å; F946-Y963 AromaticContact CE2-CD2 3.62Å; F946-Y963 HydrophobicContact CE2-CD2 3.62Å; F946-Y963 HydrophobicContact CE2-CE2 4.43Å; F946-Y963 AromaticContact CE2-CG 3.83Å; F946-Y963 HydrophobicContact CE2-CG 3.83Å; F946-Y963 HydrophobicContact CZ-CD2 4.23Å; F946-Y963 AromaticContact CZ-CG 3.96Å; F946-Y963 HydrophobicContact CZ-CG 3.96Å; F946-Y963 PolarHBondContact N-O 3.16Å; F946-Y963 PolarHBondContact O-N 3.14Å; L948-Y963 HydrophobicContact CB-CD2 4.17Å; L948-Y963 HydrophobicContact CB-CE2 3.84Å; L948-Y963 HydrophobicContact CD2-CE2 4.2Å; L948-Y963 HydrophobicContact CG-CE2 4.44Å; T961-Y963 HydrophobicContact CG2-CD2 4.3Å; T961-Y963 HydrophobicContact CG2-CE1 3.98Å; T961-Y963 HydrophobicContact CG2-CE2 3.59Å; T961-Y963 VanDerWaalsContact CG2-CZ 3.41Å; T961-Y963 WeakPolarHBondContact CG2-OH 3.43Å; T961-Y963 WeakPolarHBondContact O-CD2 3.24Å; T961-Y963 VanDerWaalsContact O-CE2 3.28Å; T961-Y963 WeakPolarHBondContact O-CE2 3.49Å; Y963-T981 HydrophobicContact CD1-CG2 3.63Å; Y963-T981 HydrophobicContact CD2-CG2 4.26Å; Y963-T981 HydrophobicContact CE1-CG2 3.31Å; Y963-T981 HydrophobicContact CE2-CG2 4Å; Y963-T981 HydrophobicContact CG-CG2 4.09Å; Y963-R996 PolarHBondContact OH-O 2.91Å; Y963-P998 HydrophobicContact CE1-CG 4.03Å
964	I	97.4	Very high	91.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	113	-176.2	-50.1	175	0	0	0	108.4	L879 I907 V908 W943 D945 H962 L966	L879-I964 HydrophobicContact CD1-CD1 3.66Å; L879-I964 HydrophobicContact CD2-CD1 4Å; I907-I964 CarbonylContact C-O 3.59Å; I907-I964 WeakPolarHBondContact CA-O 3.35Å; V908-I964 HydrophobicContact CB-CB 4.42Å; V908-I964 PolarHBondContact N-O 2.98Å; V908-I964 PolarHBondContact O-N 3.09Å; W943-I964 HydrophobicContact CB-CG2 3.74Å; W943-I964 HydrophobicContact CD2-CG2 4.27Å; W943-I964 HydrophobicContact CG-CG2 3.78Å; D945-I964 HydrophobicContact CB-CB 4.36Å; D945-I964 HydrophobicContact CB-CG1 4.12Å; D945-I964 HydrophobicContact CB-CG2 4.29Å; H962-I964 VanDerWaalsContact CE1-CG1 3.49Å; H962-I964 WeakPolarHBondContact CE1-CG1 3.49Å; I964-L966 HydrophobicContact CG2-CD2 3.84Å; I964-L966 PolarHBondContact O-N 2.81Å
965	S	96.7	Very high	92.4	Very high	9 Å²	9	31.8 Å²	31.8	6%	0.063	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	106.3	174	-167.7	0	0	0	0	109.4	F906 V944	F906-S965 WeakPolarHBondContact O-CA 3.4Å; V944-S965 VanDerWaalsContact O-CB 3.28Å; V944-S965 WeakPolarHBondContact O-CB 3.38Å; V944-S965 PolarHBondContact O-N 3.43Å
966	L	95.9	Very high	93.3	Very high	11 Å²	11	30.2 Å²	30.2	6%	0.058	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-23.2	177.8	-61.4	-175.8	0	0	0	112.2	L879 V882 I887 F906 V908 W943 I964	L879-L966 HydrophobicContact CB-CD2 4.19Å; L879-L966 HydrophobicContact CD2-CD1 4.43Å; L879-L966 HydrophobicContact CD2-CD2 4.3Å; V882-L966 HydrophobicContact CB-CD1 4.19Å; V882-L966 HydrophobicContact CG1-CD1 3.82Å; I887-L966 HydrophobicContact CD1-CB 4.05Å; F906-L966 HydrophobicContact CD1-CB 4.39Å; F906-L966 HydrophobicContact CD1-CD1 4.29Å; F906-L966 HydrophobicContact CE1-CD1 4.37Å; F906-L966 PolarHBondContact O-N 3.33Å; V908-L966 HydrophobicContact CG2-CD1 3.6Å; V908-L966 HydrophobicContact CG2-CG 4.15Å; W943-L966 HydrophobicContact CD2-CD2 3.85Å; W943-L966 HydrophobicContact CE3-CD2 3.65Å; W943-L966 HydrophobicContact CH2-CD2 3.77Å; W943-L966 HydrophobicContact CZ2-CD2 3.93Å; W943-L966 HydrophobicContact CZ3-CB 4.27Å; W943-L966 HydrophobicContact CZ3-CD2 3.61Å; I964-L966 HydrophobicContact CG2-CD2 3.84Å; I964-L966 PolarHBondContact O-N 2.81Å
967	Y	96	Very high	94	Very high	84 Å²	84	29.6 Å²	29.6	33%	0.329	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	140.5	-176.9	-161.9	-105	0	0	0	110.3	I887 L904 V905 F906 T969	I887-Y967 HydrophobicContact CD1-CG 4.46Å; I887-Y967 HydrophobicContact CG2-CD1 4.19Å; I887-Y967 HydrophobicContact CG2-CD2 4.42Å; I887-Y967 HydrophobicContact CG2-CG 4.11Å; L904-Y967 HydrophobicContact CB-CD1 4.18Å; L904-Y967 HydrophobicContact CB-CE1 4.17Å; L904-Y967 HydrophobicContact CD2-CD1 4.01Å; L904-Y967 HydrophobicContact CD2-CE1 4.12Å; L904-Y967 HydrophobicContact CG-CD1 4.04Å; L904-Y967 HydrophobicContact CG-CE1 4.37Å; V905-Y967 CarbonylContact C-O 3.5Å; V905-Y967 VanDerWaalsContact CA-O 3.27Å; V905-Y967 WeakPolarHBondContact CA-O 3.45Å; F906-Y967 PolarHBondContact N-O 3.09Å; Y967-T969 HydrophobicContact CD1-CG2 4.35Å; Y967-T969 HydrophobicContact CE1-CG2 3.52Å; Y967-T969 HydrophobicContact CE2-CG2 4.47Å; Y967-T969 WeakPolarHBondContact OH-CG2 3.18Å
968	N	95.8	Very high	94.7	Very high	44 Å²	44	28.9 Å²	28.9	24%	0.235	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	70.8	-175.1	-176.7	11.3	0	0	0	111.8	L904 V905 A970 N971 L972	L904-N968 CarbonylContact O-C 3.51Å; L904-N968 WeakPolarHBondContact O-CA 3.32Å; V905-N968 HydrophobicContact CG1-CB 4.34Å; N968-A970 PolarHBondContact O-N 3.14Å; N968-N971 PolarHBondContact O-N 2.93Å; N968-N971 PolarHBondContact OD1-N 2.9Å; N968-L972 PolarHBondContact ND2-O 2.92Å; N968-L972 PolarHBondContact OD1-N 3.02Å; N968-L972 VanDerWaalsContact OD1-N 3.14Å
969	T	96.8	Very high	95.4	Very high	56 Å²	56	32.7 Å²	32.7	34%	0.344	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-4	171.3	55.4	0	0	0	0	112.9	L904 Y967 N971	L904-T969 PolarHBondContact N-OG1 3.24Å; L904-T969 PolarHBondContact O-N 2.94Å; L904-T969 PolarHBondContact O-OG1 2.59Å; Y967-T969 HydrophobicContact CD1-CG2 4.35Å; Y967-T969 HydrophobicContact CE1-CG2 3.52Å; Y967-T969 HydrophobicContact CE2-CG2 4.47Å; Y967-T969 WeakPolarHBondContact OH-CG2 3.18Å; T969-N971 VanDerWaalsContact C-N 3.27Å
970	A	93.8	Very high	95.8	Very high	17 Å²	17	31.2 Å²	31.2	14%	0.14	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-12.5	172.1	0	0	0	0	0	114.2	K903 V905 N968 L972	K903-A970 HydrophobicContact CB-CB 3.89Å; V905-A970 HydrophobicContact CG2-CB 3.44Å; V905-A970 VanDerWaalsContact CG2-CB 3.44Å; N968-A970 PolarHBondContact O-N 3.14Å; A970-L972 HydrophobicContact CB-CG 3.94Å; A970-L972 PolarHBondContact O-N 2.93Å
971	N	90.5	Very high	96.1	Very high	135 Å²	135	31.2 Å²	31.2	72%	0.722	16%	0.161	S	C	*	.			trans	51.8	35.5	-172.2	-61	-12.4	0	0	0	112.4	N968 T969 S973	N968-N971 PolarHBondContact O-N 2.93Å; N968-N971 PolarHBondContact OD1-N 2.9Å; T969-N971 VanDerWaalsContact C-N 3.27Å; N971-S973 PolarHBondContact O-N 2.85Å
972	L	93.8	Very high	96.1	Very high	18 Å²	18	31.1 Å²	31.1	9%	0.094	16%	0.161	C	C	.	.			trans	-68.1	124.1	171.5	-68.2	-171.2	0	0	0	109	L793 V905 N968 A970 H976 L977 L980	L793-L972 HydrophobicContact CD2-CD2 4.49Å; V905-L972 HydrophobicContact CG2-CD1 4.13Å; V905-L972 HydrophobicContact CG2-CG 4.42Å; N968-L972 PolarHBondContact ND2-O 2.92Å; N968-L972 PolarHBondContact OD1-N 3.02Å; N968-L972 VanDerWaalsContact OD1-N 3.14Å; A970-L972 HydrophobicContact CB-CG 3.94Å; A970-L972 PolarHBondContact O-N 2.93Å; L972-H976 HydrophobicContact CB-CB 4.01Å; L972-H976 HydrophobicContact CD2-CB 4.13Å; L972-H976 HydrophobicContact CG-CB 4.48Å; L972-L977 HydrophobicContact CB-CD2 3.8Å; L972-L977 HydrophobicContact CB-CG 4.09Å; L972-L977 HydrophobicContact CD1-CD2 4.1Å; L972-L980 HydrophobicContact CD1-CD2 4.47Å
973	S	95.3	Very high	96.1	Very high	43 Å²	43	31.8 Å²	31.8	30%	0.301	16%	0.164	S	C	.	.			trans	-63.2	161.6	174.3	66.3	0	0	0	0	111.4	N971 D975 H976 L977	N971-S973 PolarHBondContact O-N 2.85Å; S973-D975 PolarHBondContact O-N 2.77Å; S973-H976 WeakPolarHBondContact O-CA 3.08Å; S973-H976 WeakPolarHBondContact O-CB 3.44Å; S973-H976 PolarHBondContact O-N 3.32Å; S973-H976 PolarHBondContact OG-CD2 3.41Å; S973-H976 VanDerWaalsContact OG-CG 3.25Å; S973-H976 PolarHBondContact OG-N 3.21Å; S973-H976 PolarHBondContact OG-ND1 3.03Å; S973-L977 WeakPolarHBondContact O-CG 3.36Å; S973-L977 PolarHBondContact O-N 2.87Å
974	P	95.3	Very high	96.1	Very high	26 Å²	26	31.8 Å²	31.8	17%	0.169	16%	0.164	C	C	.	.	H	α-helix	trans	-54.1	-39.6	175.6	-26.9	35.5	0	0	0	113.1	K273 H976 L977 Q978	K273-P974 WeakPolarHBondContact O-CB 3.44Å; K273-P974 WeakPolarHBondContact O-CG 3.48Å; P974-H976 VanDerWaalsContact C-N 3.34Å; P974-H976 PolarHBondContact O-N 2.75Å; P974-L977 PolarHBondContact O-N 2.89Å; P974-Q978 VanDerWaalsContact O-CB 3.29Å; P974-Q978 WeakPolarHBondContact O-CB 3.42Å; P974-Q978 WeakPolarHBondContact O-CG 3.45Å; P974-Q978 PolarHBondContact O-N 2.92Å
975	D	95.1	Very high	96.1	Very high	14 Å²	14	31.8 Å²	31.8	8%	0.075	16%	0.164	C	C	.	.	H	α-helix	trans	-59.2	-40.9	172.8	-80.2	-48	0	0	0	113	G275 T276 K277 R623 S973 R979	G275-D975 WeakPolarHBondContact CA-OD1 3.42Å; T276-D975 WeakPolarHBondContact CB-OD2 3.47Å; T276-D975 PolarHBondContact N-OD1 2.79Å; T276-D975 PolarHBondContact N-OD2 2.62Å; T276-D975 PolarHBondContact OG1-OD2 3.17Å; K277-D975 WeakPolarHBondContact CB-OD1 3.08Å; K277-D975 HydrophobicContact CG-CB 4.16Å; K277-D975 PolarHBondContact N-OD1 2.73Å; R623-D975 IonicContact NH1-OD1 3.71Å; S973-D975 PolarHBondContact O-N 2.77Å; D975-R979 VanDerWaalsContact O-CB 3.28Å; D975-R979 WeakPolarHBondContact O-CB 3.25Å; D975-R979 WeakPolarHBondContact O-CG 3.12Å; D975-R979 PolarHBondContact O-N 2.52Å
976	H	95.9	Very high	96.2	Very high	107 Å²	107	31.3 Å²	31.3	50%	0.495	16%	0.161	S	C	.	.	H	α-helix	trans	-68.5	-41.8	177.6	-64.7	170.6	0	0	0	111.4	L972 S973 P974 L980	L972-H976 HydrophobicContact CB-CB 4.01Å; L972-H976 HydrophobicContact CD2-CB 4.13Å; L972-H976 HydrophobicContact CG-CB 4.48Å; S973-H976 WeakPolarHBondContact O-CA 3.08Å; S973-H976 WeakPolarHBondContact O-CB 3.44Å; S973-H976 PolarHBondContact O-N 3.32Å; S973-H976 PolarHBondContact OG-CD2 3.41Å; S973-H976 VanDerWaalsContact OG-CG 3.25Å; S973-H976 PolarHBondContact OG-N 3.21Å; S973-H976 PolarHBondContact OG-ND1 3.03Å; P974-H976 VanDerWaalsContact C-N 3.34Å; P974-H976 PolarHBondContact O-N 2.75Å; H976-L980 WeakPolarHBondContact O-CB 3.31Å; H976-L980 PolarHBondContact O-N 2.75Å
977	L	97.3	Very high	96.2	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-62.7	-48.2	175.6	-62.9	174.4	0	0	0	111.4	V905 I907 V944 F946 L972 S973 P974 T981	V905-L977 HydrophobicContact CG1-CD2 3.72Å; I907-L977 HydrophobicContact CD1-CD2 4.15Å; V944-L977 HydrophobicContact CG1-CD1 4Å; F946-L977 HydrophobicContact CE1-CB 4.19Å; L972-L977 HydrophobicContact CB-CD2 3.8Å; L972-L977 HydrophobicContact CB-CG 4.09Å; L972-L977 HydrophobicContact CD1-CD2 4.1Å; S973-L977 WeakPolarHBondContact O-CG 3.36Å; S973-L977 PolarHBondContact O-N 2.87Å; P974-L977 PolarHBondContact O-N 2.89Å; L977-T981 VanDerWaalsContact O-CB 3.27Å; L977-T981 WeakPolarHBondContact O-CB 3.38Å; L977-T981 PolarHBondContact O-N 3.49Å; L977-T981 PolarHBondContact O-OG1 2.85Å
978	Q	97.8	Very high	96.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.6	-49.5	179.5	-70.6	165.5	16.5	0	0	111.5	L625 V933 D935 F946 P974 T981 F982	L625-Q978 HydrophobicContact CD1-CB 4.41Å; V933-Q978 HydrophobicContact CG1-CG 4.23Å; D935-Q978 PolarHBondContact OD2-NE2 2.98Å; F946-Q978 HydrophobicContact CB-CG 4.46Å; F946-Q978 HydrophobicContact CD1-CG 3.87Å; F946-Q978 HydrophobicContact CD2-CG 3.84Å; F946-Q978 HydrophobicContact CE1-CG 3.99Å; F946-Q978 HydrophobicContact CE2-CB 4.43Å; F946-Q978 HydrophobicContact CE2-CG 3.97Å; F946-Q978 HydrophobicContact CG-CG 3.8Å; F946-Q978 HydrophobicContact CZ-CG 4.05Å; P974-Q978 VanDerWaalsContact O-CB 3.29Å; P974-Q978 WeakPolarHBondContact O-CB 3.42Å; P974-Q978 WeakPolarHBondContact O-CG 3.45Å; P974-Q978 PolarHBondContact O-N 2.92Å; Q978-T981 PolarHBondContact O-N 2.92Å; Q978-F982 PolarHBondContact O-N 3.18Å
979	R	96.4	Very high	96.3	Very high	79 Å²	79	26 Å²	26	30%	0.298	14%	0.136	S	C	.	.	H	α-helix	trans	-69.5	-39.6	-179.8	-72.4	-163.8	68.7	-167.5	2.5	113.6	L625 E628 D975 T981 F982 K983	L625-R979 HydrophobicContact CD1-CG 4.48Å; L625-R979 HydrophobicContact CD2-CG 4.04Å; E628-R979 IonicContact OE1-CZ 2.72Å; E628-R979 IonicContact OE1-NE 3.95Å; E628-R979 PolarHBondContact OE1-NE 3.12Å; E628-R979 IonicContact OE1-NH2 2.64Å; E628-R979 PolarHBondContact OE1-NH2 3Å; E628-R979 IonicContact OE2-NH2 2.86Å; D975-R979 VanDerWaalsContact O-CB 3.28Å; D975-R979 WeakPolarHBondContact O-CB 3.25Å; D975-R979 WeakPolarHBondContact O-CG 3.12Å; D975-R979 PolarHBondContact O-N 2.52Å; R979-T981 VanDerWaalsContact C-N 3.3Å; R979-T981 PolarHBondContact O-N 3.13Å; R979-F982 PolarHBondContact O-N 2.88Å; R979-K983 WeakPolarHBondContact O-CB 3.39Å; R979-K983 VanDerWaalsContact O-CG 3.28Å; R979-K983 WeakPolarHBondContact O-CG 3.46Å; R979-K983 PolarHBondContact O-N 3.46Å
980	L	97.7	Very high	96.2	Very high	7 Å²	7	25.3 Å²	25.3	4%	0.037	13%	0.13	C	C	.	.	H	α-helix	trans	-61.9	-43	174.7	-179.5	60.4	0	0	0	110.5	I791 L793 L796 V868 L972 H976 K983 M984	I791-L980 HydrophobicContact CG2-CD1 4.15Å; L793-L980 HydrophobicContact CD1-CD1 4.45Å; L793-L980 HydrophobicContact CD1-CD2 4.14Å; L796-L980 HydrophobicContact CD2-CD1 4.33Å; V868-L980 HydrophobicContact CB-CD2 4.37Å; V868-L980 HydrophobicContact CG1-CD2 4.11Å; V868-L980 HydrophobicContact CG2-CD2 3.92Å; L972-L980 HydrophobicContact CD1-CD2 4.47Å; H976-L980 WeakPolarHBondContact O-CB 3.31Å; H976-L980 PolarHBondContact O-N 2.75Å; L980-K983 PolarHBondContact O-N 3.35Å; L980-M984 HydrophobicContact CD1-CE 4.16Å; L980-M984 WeakPolarHBondContact O-CG 3.41Å; L980-M984 PolarHBondContact O-N 3.5Å
981	T	98.3	Very high	96.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.1	-44.7	177.3	-56.1	0	0	0	0	111.7	Y870 F946 L948 Y963 L977 Q978 R979 M984 C985 P998	Y870-T981 HydrophobicContact CE1-CG2 3.94Å; Y870-T981 WeakPolarHBondContact CE1-OG1 3.44Å; Y870-T981 VanDerWaalsContact OH-CA 3.23Å; Y870-T981 WeakPolarHBondContact OH-CA 3.36Å; Y870-T981 PolarHBondContact OH-N 3.29Å; Y870-T981 PolarHBondContact OH-OG1 2.92Å; F946-T981 HydrophobicContact CE2-CG2 4.35Å; F946-T981 HydrophobicContact CZ-CG2 4.29Å; L948-T981 HydrophobicContact CD2-CG2 3.98Å; Y963-T981 HydrophobicContact CD1-CG2 3.63Å; Y963-T981 HydrophobicContact CD2-CG2 4.26Å; Y963-T981 HydrophobicContact CE1-CG2 3.31Å; Y963-T981 HydrophobicContact CE2-CG2 4Å; Y963-T981 HydrophobicContact CG-CG2 4.09Å; L977-T981 VanDerWaalsContact O-CB 3.27Å; L977-T981 WeakPolarHBondContact O-CB 3.38Å; L977-T981 PolarHBondContact O-N 3.49Å; L977-T981 PolarHBondContact O-OG1 2.85Å; Q978-T981 PolarHBondContact O-N 2.92Å; R979-T981 VanDerWaalsContact C-N 3.3Å; R979-T981 PolarHBondContact O-N 3.13Å; T981-M984 PolarHBondContact O-N 2.96Å; T981-C985 PolarHBondContact O-N 3.42Å; T981-C985 PolarHBondContact O-SG 2.87Å; T981-C985 VanDerWaalsContact O-SG 3.35Å; T981-P998 HydrophobicContact CG2-CG 4.25Å
982	F	97.6	Very high	96.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.9	-44.3	175.8	-173.9	-132.5	0	0	0	112.1	L625 E628 L948 A950 Q978 R979 M984 C985 H986 T994	L625-F982 HydrophobicContact CB-CD1 4.09Å; L625-F982 HydrophobicContact CB-CE1 4.38Å; L625-F982 HydrophobicContact CD1-CB 3.75Å; L625-F982 HydrophobicContact CD1-CD1 4.06Å; L625-F982 HydrophobicContact CD1-CG 4.07Å; E628-F982 HydrophobicContact CG-CD1 4.18Å; E628-F982 HydrophobicContact CG-CE1 4.26Å; L948-F982 HydrophobicContact CD1-CB 4.48Å; L948-F982 HydrophobicContact CD1-CD2 4.13Å; L948-F982 HydrophobicContact CD1-CG 4.48Å; L948-F982 HydrophobicContact CD2-CB 4.03Å; L948-F982 HydrophobicContact CD2-CD2 4.45Å; A950-F982 HydrophobicContact CB-CD2 4.4Å; Q978-F982 PolarHBondContact O-N 3.18Å; R979-F982 PolarHBondContact O-N 2.88Å; F982-M984 VanDerWaalsContact C-N 3.35Å; F982-M984 PolarHBondContact O-N 3.35Å; F982-C985 WeakPolarHBondContact O-CB 3.36Å; F982-C985 PolarHBondContact O-N 3.47Å; F982-C985 VanDerWaalsContact O-N 3.07Å; F982-H986 AromaticContact CD2-CE1 3.98Å; F982-H986 AromaticContact CE1-CE1 3.79Å; F982-H986 AromaticContact CE2-CE1 3.74Å; F982-H986 AromaticContact CZ-CE1 3.65Å; F982-H986 PolarHBondContact O-CE1 2.95Å; F982-H986 PolarHBondContact O-ND1 3.18Å; F982-T994 HydrophobicContact CE2-CG2 4.43Å
983	K	97.3	Very high	96.5	Very high	15 Å²	15	22.9 Å²	22.9	7%	0.065	11%	0.107	C	C	.	.	H	α-helix	trans	-57.4	-43.7	173.4	-73.9	170.3	-175.3	-76.7	0	112.1	E628 V789 N790 I791 R979 L980 C985 H986	E628-K983 HydrophobicContact CG-CG 3.91Å; E628-K983 WeakPolarHBondContact OE1-CE 3.48Å; E628-K983 IonicContact OE1-NZ 2.71Å; E628-K983 PolarHBondContact OE1-NZ 3.04Å; E628-K983 IonicContact OE2-NZ 3.13Å; E628-K983 PolarHBondContact OE2-NZ 3.07Å; V789-K983 HydrophobicContact CG2-CB 3.79Å; V789-K983 HydrophobicContact CG2-CG 4.09Å; N790-K983 PolarHBondContact O-NZ 3.25Å; I791-K983 HydrophobicContact CD1-CB 4.25Å; I791-K983 HydrophobicContact CG1-CB 4.29Å; I791-K983 HydrophobicContact CG1-CD 3.75Å; R979-K983 WeakPolarHBondContact O-CB 3.39Å; R979-K983 VanDerWaalsContact O-CG 3.28Å; R979-K983 WeakPolarHBondContact O-CG 3.46Å; R979-K983 PolarHBondContact O-N 3.46Å; L980-K983 PolarHBondContact O-N 3.35Å; K983-C985 PolarHBondContact O-N 3.17Å; K983-H986 WeakPolarHBondContact O-CB 3.03Å; K983-H986 PolarHBondContact O-N 3.48Å
984	M	98.3	Very high	96.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.8	-28.3	175.7	-72.4	-61.2	104.8	0	0	113.7	I791 V798 L825 Y870 L980 T981 F982 H986 L987 P998 A999 P1000	I791-M984 HydrophobicContact CD1-CE 3.33Å; V798-M984 HydrophobicContact CB-SD 4.12Å; V798-M984 HydrophobicContact CG1-CG 4.26Å; V798-M984 HydrophobicContact CG1-SD 3.8Å; V798-M984 HydrophobicContact CG2-CE 4.4Å; V798-M984 HydrophobicContact CG2-SD 4.05Å; L825-M984 HydrophobicContact CD1-CE 3.6Å; Y870-M984 HydrophobicContact CE2-CG 4.01Å; L980-M984 HydrophobicContact CD1-CE 4.16Å; L980-M984 WeakPolarHBondContact O-CG 3.41Å; L980-M984 PolarHBondContact O-N 3.5Å; T981-M984 PolarHBondContact O-N 2.96Å; F982-M984 VanDerWaalsContact C-N 3.35Å; F982-M984 PolarHBondContact O-N 3.35Å; M984-H986 PolarHBondContact O-N 2.89Å; M984-L987 HydrophobicContact CE-CD1 3.51Å; M984-L987 PolarHBondContact O-N 3.35Å; M984-L987 HydrophobicContact SD-CD1 4.18Å; M984-P998 HydrophobicContact CB-CB 3.84Å; M984-P998 HydrophobicContact CB-CG 4.46Å; M984-A999 VanDerWaalsContact O-CB 3.22Å; M984-A999 WeakPolarHBondContact O-CB 3.43Å; M984-A999 PolarHBondContact O-N 3.02Å; M984-P1000 HydrophobicContact SD-CG 4.31Å
985	C	97.8	Very high	96.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-8	174.5	-65.7	0	0	0	0	114.1	A950 T981 F982 K983 T994 I995	A950-C985 HydrophobicContact CB-CB 3.81Å; A950-C985 VanDerWaalsContact CB-SG 3.59Å; T981-C985 PolarHBondContact O-N 3.42Å; T981-C985 PolarHBondContact O-SG 2.87Å; T981-C985 VanDerWaalsContact O-SG 3.35Å; F982-C985 WeakPolarHBondContact O-CB 3.36Å; F982-C985 PolarHBondContact O-N 3.47Å; F982-C985 VanDerWaalsContact O-N 3.07Å; K983-C985 PolarHBondContact O-N 3.17Å; C985-T994 WeakPolarHBondContact O-CA 3.23Å; C985-I995 WeakPolarHBondContact CB-O 3.42Å; C985-I995 WeakPolarHBondContact O-CG1 3.43Å; C985-I995 PolarHBondContact O-N 3.07Å
986	H	97.3	Very high	96.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-13.2	176	-62	70.4	0	0	0	113.5	I630 W645 W787 V789 F982 K983 M984 Y988 T994	I630-H986 HydrophobicContact CD1-CB 4.39Å; W645-H986 HydrophobicContact CH2-CB 3.83Å; W645-H986 AromaticContact CH2-CD2 3.64Å; W645-H986 HydrophobicContact CZ2-CB 4.37Å; W645-H986 WeakPolarHBondContact CZ2-O 3.34Å; W645-H986 AromaticContact CZ3-CD2 3.73Å; W787-H986 PolarHBondContact NE1-O 3.28Å; V789-H986 HydrophobicContact CG1-CB 3.85Å; F982-H986 AromaticContact CD2-CE1 3.98Å; F982-H986 AromaticContact CE1-CE1 3.79Å; F982-H986 AromaticContact CE2-CE1 3.74Å; F982-H986 AromaticContact CZ-CE1 3.65Å; F982-H986 PolarHBondContact O-CE1 2.95Å; F982-H986 PolarHBondContact O-ND1 3.18Å; K983-H986 WeakPolarHBondContact O-CB 3.03Å; K983-H986 PolarHBondContact O-N 3.48Å; M984-H986 PolarHBondContact O-N 2.89Å; H986-Y988 PolarHBondContact O-N 3.45Å; H986-T994 WeakPolarHBondContact NE2-CG2 3.48Å
987	L	97.4	Very high	96.6	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	7%	0.074	C	C	.	.			trans	-95.9	18	-167.3	-61.9	-178.8	0	0	0	115.3	V789 I791 L825 M984 W989 A999 Y1003	V789-L987 HydrophobicContact CG1-CD2 4.48Å; V789-L987 HydrophobicContact CG2-CD2 4.18Å; V789-L987 HydrophobicContact CG2-CG 4.47Å; I791-L987 HydrophobicContact CD1-CD1 4.45Å; L825-L987 HydrophobicContact CB-CD1 4.33Å; M984-L987 HydrophobicContact CE-CD1 3.51Å; M984-L987 PolarHBondContact O-N 3.35Å; M984-L987 HydrophobicContact SD-CD1 4.18Å; L987-W989 PolarHBondContact O-N 3.16Å; L987-A999 HydrophobicContact CB-CB 3.79Å; L987-A999 WeakPolarHBondContact O-CB 3.47Å; L987-Y1003 PolarHBondContact O-OH 2.88Å
988	Y	97.6	Very high	96.6	Very high	17 Å²	17	17.6 Å²	17.6	7%	0.067	7%	0.074	C	C	.	.			trans	-94.7	93.9	-178.9	178.1	-105.9	0	0	0	111.6	H986 N990 W991 I995 K1002 Y1003 L1030	H986-Y988 PolarHBondContact O-N 3.45Å; Y988-N990 HydrophobicContact CD1-CB 4.15Å; Y988-N990 HydrophobicContact CE1-CB 3.43Å; Y988-N990 VanDerWaalsContact CE1-CB 3.43Å; Y988-N990 HydrophobicContact CE2-CB 4.12Å; Y988-N990 VanDerWaalsContact CZ-CB 3.4Å; Y988-N990 PolarHBondContact O-N 3.05Å; Y988-N990 WeakPolarHBondContact OH-CB 3.4Å; Y988-N990 PolarHBondContact OH-ND2 2.93Å; Y988-W991 HydrophobicContact CD1-CB 3.9Å; Y988-W991 HydrophobicContact CE1-CB 4.19Å; Y988-W991 PolarHBondContact O-N 3.01Å; Y988-W991 VanDerWaalsContact O-O 3.04Å; Y988-I995 VanDerWaalsContact CB-CD1 3.47Å; Y988-I995 HydrophobicContact CD1-CD1 4.08Å; Y988-I995 HydrophobicContact CD1-CG2 3.81Å; Y988-I995 HydrophobicContact CD2-CD1 4.38Å; Y988-I995 HydrophobicContact CG-CD1 3.73Å; Y988-I995 HydrophobicContact CG-CG1 4.48Å; Y988-I995 HydrophobicContact CG-CG2 4.47Å; Y988-K1002 HydrophobicContact CD1-CG 4.35Å; Y988-K1002 HydrophobicContact CD2-CB 3.78Å; Y988-K1002 HydrophobicContact CD2-CG 3.57Å; Y988-K1002 HydrophobicContact CE1-CG 4.19Å; Y988-K1002 HydrophobicContact CE2-CB 4.01Å; Y988-K1002 HydrophobicContact CE2-CG 3.38Å; Y988-K1002 HydrophobicContact CG-CB 4.37Å; Y988-K1002 HydrophobicContact CG-CG 4.07Å; Y988-Y1003 WeakPolarHBondContact CA-OH 3.19Å; Y988-Y1003 AromaticContact CD2-CD1 3.77Å; Y988-Y1003 HydrophobicContact CD2-CD1 3.77Å; Y988-Y1003 AromaticContact CD2-CE1 3.44Å; Y988-Y1003 HydrophobicContact CD2-CE1 3.44Å; Y988-Y1003 VanDerWaalsContact CD2-CE1 3.44Å; Y988-Y1003 AromaticContact CE2-CD1 3.9Å; Y988-Y1003 HydrophobicContact CE2-CD1 3.9Å; Y988-Y1003 AromaticContact CE2-CE1 3.82Å; Y988-Y1003 HydrophobicContact CE2-CE1 3.82Å; Y988-Y1003 HydrophobicContact CG-CE1 4.47Å; Y988-L1030 HydrophobicContact CE2-CD2 4.24Å
989	W	95.8	Very high	96.6	Very high	8 Å²	8	17.6 Å²	17.6	3%	0.03	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.2	-166.6	-70.9	-14.7	0	0	0	116.6	G784 E785 L786 W787 T826 L987 W991 Y1003 L1027	G784-W989 VanDerWaalsContact O-CZ3 3.25Å; G784-W989 WeakPolarHBondContact O-CZ3 3.23Å; E785-W989 VanDerWaalsContact CA-CH2 3.43Å; E785-W989 HydrophobicContact CB-CH2 3.91Å; E785-W989 HydrophobicContact CB-CZ2 4.37Å; E785-W989 HydrophobicContact CG-CH2 4.19Å; L786-W989 HydrophobicContact CB-CD2 4Å; L786-W989 HydrophobicContact CB-CG 3.98Å; L786-W989 HydrophobicContact CD1-CB 3.67Å; L786-W989 HydrophobicContact CD1-CD2 4.42Å; L786-W989 HydrophobicContact CD1-CG 3.94Å; L786-W989 HydrophobicContact CG-CB 4.13Å; L786-W989 HydrophobicContact CG-CD2 3.89Å; L786-W989 HydrophobicContact CG-CE3 4.1Å; L786-W989 HydrophobicContact CG-CG 3.9Å; W787-W989 AromaticContact CD2-CD1 3.73Å; W787-W989 AromaticContact CE2-CD1 3.57Å; W787-W989 HydrophobicContact CH2-CB 4.4Å; W787-W989 WeakPolarHBondContact CH2-O 3.42Å; W787-W989 AromaticContact CZ2-CD1 3.78Å; W787-W989 AromaticContact NE1-CD1 3.99Å; W787-W989 PolarHBondContact O-NE1 3.17Å; T826-W989 HydrophobicContact CG2-CH2 4.48Å; T826-W989 HydrophobicContact CG2-CZ2 3.91Å; T826-W989 WeakPolarHBondContact O-CH2 3.32Å; L987-W989 PolarHBondContact O-N 3.16Å; W989-W991 PolarHBondContact O-N 2.78Å; W989-Y1003 PolarHBondContact N-OH 3.45Å; W989-L1027 HydrophobicContact CE3-CD1 3.61Å; W989-L1027 HydrophobicContact CZ3-CD1 3.88Å
990	N	95.2	Very high	96.7	Very high	42 Å²	42	13.8 Å²	13.8	23%	0.225	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-5.6	170.6	-102.9	2.2	0	0	0	113.5	Q777 Y988 L1030	Q777-N990 PolarHBondContact NE2-ND2 3.33Å; Q777-N990 PolarHBondContact NE2-OD1 3.19Å; Y988-N990 HydrophobicContact CD1-CB 4.15Å; Y988-N990 HydrophobicContact CE1-CB 3.43Å; Y988-N990 VanDerWaalsContact CE1-CB 3.43Å; Y988-N990 HydrophobicContact CE2-CB 4.12Å; Y988-N990 VanDerWaalsContact CZ-CB 3.4Å; Y988-N990 PolarHBondContact O-N 3.05Å; Y988-N990 WeakPolarHBondContact OH-CB 3.4Å; Y988-N990 PolarHBondContact OH-ND2 2.93Å; N990-L1030 PolarHBondContact ND2-O 3.17Å
991	W	94.9	Very high	96.7	Very high	110 Å²	110	13.5 Å²	13.5	42%	0.417	6%	0.058	S	C	.	.	S	Bend	trans	-145.8	108.1	178.1	-179.5	-103.7	0	0	0	110.6	Y988 W989 G993 T994 I995	Y988-W991 HydrophobicContact CD1-CB 3.9Å; Y988-W991 HydrophobicContact CE1-CB 4.19Å; Y988-W991 PolarHBondContact O-N 3.01Å; Y988-W991 VanDerWaalsContact O-O 3.04Å; W989-W991 PolarHBondContact O-N 2.78Å; W991-G993 VanDerWaalsContact CD1-O 3.25Å; W991-G993 PolarHBondContact O-N 2.75Å; W991-G993 VanDerWaalsContact O-O 3.13Å; W991-T994 PolarHBondContact NE1-O 3.47Å; W991-I995 HydrophobicContact CB-CG2 4.18Å; W991-I995 HydrophobicContact CG-CG2 4.14Å
992	P	93.9	Very high	96.7	Very high	9 Å²	9	14.5 Å²	14.5	6%	0.058	6%	0.062	C	C	.	.	S	Bend	trans	-77.1	73.1	175.7	29.5	-32.7	0	0	0	111.6	W645 S646 V649 W787	W645-P992 HydrophobicContact CG-CB 4.38Å; W645-P992 PolarHBondContact N-O 2.89Å; S646-P992 PolarHBondContact OG-O 3.33Å; V649-P992 HydrophobicContact CG1-CB 4.5Å; V649-P992 HydrophobicContact CG2-CB 3.63Å; V649-P992 HydrophobicContact CG2-CG 4.08Å; W787-P992 HydrophobicContact CH2-CB 3.75Å; W787-P992 HydrophobicContact CZ2-CB 4.41Å; W787-P992 HydrophobicContact CZ3-CB 4.08Å
993	G	94.9	Very high	96.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	6%	0.062	C	C	.	.	B	Isolated β-bridge	trans	179	173.8	178.3	0	0	0	0	0	109.3	V643 W645 W991	V643-G993 CarbonylContact O-C 3.57Å; V643-G993 WeakPolarHBondContact O-CA 3.46Å; W645-G993 VanDerWaalsContact CH2-CA 3.43Å; W645-G993 WeakPolarHBondContact CH2-O 3.12Å; W645-G993 VanDerWaalsContact CZ3-CA 3.44Å; W991-G993 VanDerWaalsContact CD1-O 3.25Å; W991-G993 PolarHBondContact O-N 2.75Å; W991-G993 VanDerWaalsContact O-O 3.13Å
994	T	95.4	Very high	96.8	Very high	5 Å²	5	13.8 Å²	13.8	3%	0.031	6%	0.059	C	C	.	.			trans	-71.2	151.1	174.1	55.6	0	0	0	0	112.4	V643 W645 A950 F982 C985 H986 W991	V643-T994 HydrophobicContact CB-CG2 3.96Å; V643-T994 HydrophobicContact CG2-CG2 4.24Å; V643-T994 WeakPolarHBondContact CG2-OG1 3.38Å; V643-T994 PolarHBondContact O-N 3.15Å; W645-T994 HydrophobicContact CH2-CG2 4.3Å; W645-T994 HydrophobicContact CZ3-CG2 4.26Å; A950-T994 WeakPolarHBondContact O-CB 3.4Å; A950-T994 PolarHBondContact O-OG1 3.41Å; F982-T994 HydrophobicContact CE2-CG2 4.43Å; C985-T994 WeakPolarHBondContact O-CA 3.23Å; H986-T994 WeakPolarHBondContact NE2-CG2 3.48Å; W991-T994 PolarHBondContact NE1-O 3.47Å
995	I	95.5	Very high	96.7	Very high	19 Å²	19	16 Å²	16	10%	0.097	7%	0.069	C	C	.	.			trans	-116.2	167.9	171.1	56.6	154.7	0	0	0	112.5	A950 C985 Y988 W991 V997 K1002	A950-I995 WeakPolarHBondContact CB-O 3.44Å; C985-I995 WeakPolarHBondContact CB-O 3.42Å; C985-I995 WeakPolarHBondContact O-CG1 3.43Å; C985-I995 PolarHBondContact O-N 3.07Å; Y988-I995 VanDerWaalsContact CB-CD1 3.47Å; Y988-I995 HydrophobicContact CD1-CD1 4.08Å; Y988-I995 HydrophobicContact CD1-CG2 3.81Å; Y988-I995 HydrophobicContact CD2-CD1 4.38Å; Y988-I995 HydrophobicContact CG-CD1 3.73Å; Y988-I995 HydrophobicContact CG-CG1 4.48Å; Y988-I995 HydrophobicContact CG-CG2 4.47Å; W991-I995 HydrophobicContact CB-CG2 4.18Å; W991-I995 HydrophobicContact CG-CG2 4.14Å; I995-V997 VanDerWaalsContact C-N 3.35Å; I995-V997 HydrophobicContact CD1-CG2 4.46Å; I995-V997 WeakPolarHBondContact CD1-O 3.38Å; I995-V997 VanDerWaalsContact CG1-O 3.24Å; I995-V997 WeakPolarHBondContact CG1-O 3.44Å; I995-V997 PolarHBondContact O-N 3.05Å; I995-K1002 HydrophobicContact CD1-CB 3.6Å; I995-K1002 HydrophobicContact CD1-CD 4.38Å; I995-K1002 HydrophobicContact CD1-CG 3.78Å
996	R	94.5	Very high	96.7	Very high	53 Å²	53	18.7 Å²	18.7	20%	0.2	8%	0.081	C	C	.	.	S	Bend	trans	-70.2	-23	-172.2	178.9	168.2	-178.9	-168.4	1.1	115.1	K911 L959 P960 T961 Y963	K911-R996 PolarHBondContact O-NH2 3.39Å; K911-R996 VanDerWaalsContact O-NH2 3.08Å; L959-R996 PolarHBondContact O-NE 2.84Å; P960-R996 PolarHBondContact O-NE 2.85Å; P960-R996 PolarHBondContact O-NH2 2.83Å; T961-R996 WeakPolarHBondContact CB-O 3.1Å; T961-R996 WeakPolarHBondContact OG1-CG 3.42Å; T961-R996 PolarHBondContact OG1-O 3.36Å; Y963-R996 PolarHBondContact OH-O 2.91Å
997	V	97.1	Very high	96.7	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.018	8%	0.081	C	C	.	.	S	Bend	trans	-132	160.7	-177.8	-61.4	0	0	0	0	109.8	V909 K911 T961 I995 A999 C1001 K1002	V909-V997 HydrophobicContact CG1-CB 4.41Å; V909-V997 HydrophobicContact CG1-CG1 4.1Å; K911-V997 HydrophobicContact CB-CG1 3.94Å; K911-V997 HydrophobicContact CD-CG1 4.27Å; T961-V997 HydrophobicContact CG2-CG1 4.17Å; I995-V997 VanDerWaalsContact C-N 3.35Å; I995-V997 HydrophobicContact CD1-CG2 4.46Å; I995-V997 WeakPolarHBondContact CD1-O 3.38Å; I995-V997 VanDerWaalsContact CG1-O 3.24Å; I995-V997 WeakPolarHBondContact CG1-O 3.44Å; I995-V997 PolarHBondContact O-N 3.05Å; V997-A999 PolarHBondContact O-N 2.79Å; V997-C1001 HydrophobicContact CG2-CB 4.37Å; V997-K1002 HydrophobicContact CG2-CB 4.22Å; V997-K1002 HydrophobicContact CG2-CD 4.25Å
998	P	98.3	Very high	96.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	8%	0.081	C	C	.	.			trans	-50.4	137.2	174.7	-31.6	39.3	0	0	0	112.5	Y870 Y963 T981 M984 P1000 C1001 K1002	Y870-P998 HydrophobicContact CD1-CB 4.49Å; Y870-P998 HydrophobicContact CD1-CG 3.73Å; Y870-P998 HydrophobicContact CD2-CB 4.3Å; Y870-P998 HydrophobicContact CD2-CG 4.37Å; Y870-P998 HydrophobicContact CE1-CG 3.93Å; Y870-P998 HydrophobicContact CG-CB 4.23Å; Y870-P998 HydrophobicContact CG-CG 3.96Å; Y963-P998 HydrophobicContact CE1-CG 4.03Å; T981-P998 HydrophobicContact CG2-CG 4.25Å; M984-P998 HydrophobicContact CB-CB 3.84Å; M984-P998 HydrophobicContact CB-CG 4.46Å; P998-P1000 VanDerWaalsContact C-CD 3.5Å; P998-P1000 VanDerWaalsContact C-N 3.32Å; P998-P1000 HydrophobicContact CB-CG 4.06Å; P998-C1001 WeakPolarHBondContact O-CB 3.21Å; P998-C1001 PolarHBondContact O-N 2.05Å; P998-K1002 PolarHBondContact O-N 3.02Å
999	A	98.2	Very high	96.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-46.8	-46.3	173.1	0	0	0	0	0	114	M984 L987 V997 C1001 K1002 Y1003	M984-A999 VanDerWaalsContact O-CB 3.22Å; M984-A999 WeakPolarHBondContact O-CB 3.43Å; M984-A999 PolarHBondContact O-N 3.02Å; L987-A999 HydrophobicContact CB-CB 3.79Å; L987-A999 WeakPolarHBondContact O-CB 3.47Å; V997-A999 PolarHBondContact O-N 2.79Å; A999-C1001 PolarHBondContact O-N 2.95Å; A999-K1002 CarbonylContact O-C 3.58Å; A999-K1002 WeakPolarHBondContact O-CA 3.48Å; A999-K1002 WeakPolarHBondContact O-CB 3.46Å; A999-K1002 PolarHBondContact O-N 3.05Å; A999-Y1003 HydrophobicContact CB-CD2 4.44Å; A999-Y1003 HydrophobicContact CB-CE2 4Å; A999-Y1003 WeakPolarHBondContact O-CD2 3.46Å; A999-Y1003 VanDerWaalsContact O-CG 3.31Å; A999-Y1003 PolarHBondContact O-N 2.96Å
1000	P	97.9	Very high	96.5	Very high	0 Å²	0	21 Å²	21	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.3	-39.2	175.9	19.9	-32.6	0	0	0	113.9	V798 W828 M984 P998 K1002 Y1003 A1004	V798-P1000 HydrophobicContact CG1-CG 3.93Å; W828-P1000 HydrophobicContact CH2-CB 4.12Å; W828-P1000 HydrophobicContact CH2-CG 4.22Å; W828-P1000 HydrophobicContact CZ3-CB 3.76Å; W828-P1000 HydrophobicContact CZ3-CG 4.29Å; M984-P1000 HydrophobicContact SD-CG 4.31Å; P998-P1000 VanDerWaalsContact C-CD 3.5Å; P998-P1000 VanDerWaalsContact C-N 3.32Å; P998-P1000 HydrophobicContact CB-CG 4.06Å; P1000-K1002 VanDerWaalsContact C-N 3.33Å; P1000-K1002 PolarHBondContact O-N 2.98Å; P1000-Y1003 PolarHBondContact O-N 3.15Å; P1000-A1004 WeakPolarHBondContact O-CB 3.37Å; P1000-A1004 PolarHBondContact O-N 3.41Å
1001	C	97.7	Very high	96.4	Very high	0 Å²	0	19 Å²	19	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.4	-39.9	171.6	-66	0	0	0	0	111.8	Y870 V997 P998 A999 Y1003 A1004 H1005	Y870-C1001 WeakPolarHBondContact CB-SG 3.36Å; V997-C1001 HydrophobicContact CG2-CB 4.37Å; P998-C1001 WeakPolarHBondContact O-CB 3.21Å; P998-C1001 PolarHBondContact O-N 2.05Å; A999-C1001 PolarHBondContact O-N 2.95Å; C1001-Y1003 VanDerWaalsContact C-N 3.34Å; C1001-A1004 PolarHBondContact O-N 2.86Å; C1001-H1005 WeakPolarHBondContact O-CB 3.44Å; C1001-H1005 PolarHBondContact O-N 2.86Å
1002	K	97.9	Very high	96.2	Very high	21 Å²	21	14.1 Å²	14.1	9%	0.091	7%	0.066	C	C	.	.	H	α-helix	trans	-68.3	-35	179.8	-164.7	68.6	-176.1	-179.8	0	112.2	E42 Y988 I995 V997 P998 A999 P1000 K1006	E42-K1002 IonicContact OE1-NZ 3.21Å; E42-K1002 PolarHBondContact OE1-NZ 2.83Å; E42-K1002 IonicContact OE2-NZ 2.73Å; E42-K1002 PolarHBondContact OE2-NZ 2.89Å; Y988-K1002 HydrophobicContact CD1-CG 4.35Å; Y988-K1002 HydrophobicContact CD2-CB 3.78Å; Y988-K1002 HydrophobicContact CD2-CG 3.57Å; Y988-K1002 HydrophobicContact CE1-CG 4.19Å; Y988-K1002 HydrophobicContact CE2-CB 4.01Å; Y988-K1002 HydrophobicContact CE2-CG 3.38Å; Y988-K1002 HydrophobicContact CG-CB 4.37Å; Y988-K1002 HydrophobicContact CG-CG 4.07Å; I995-K1002 HydrophobicContact CD1-CB 3.6Å; I995-K1002 HydrophobicContact CD1-CD 4.38Å; I995-K1002 HydrophobicContact CD1-CG 3.78Å; V997-K1002 HydrophobicContact CG2-CB 4.22Å; V997-K1002 HydrophobicContact CG2-CD 4.25Å; P998-K1002 PolarHBondContact O-N 3.02Å; A999-K1002 CarbonylContact O-C 3.58Å; A999-K1002 WeakPolarHBondContact O-CA 3.48Å; A999-K1002 WeakPolarHBondContact O-CB 3.46Å; A999-K1002 PolarHBondContact O-N 3.05Å; P1000-K1002 VanDerWaalsContact C-N 3.33Å; P1000-K1002 PolarHBondContact O-N 2.98Å; K1002-K1006 WeakPolarHBondContact O-CB 3.43Å; K1002-K1006 WeakPolarHBondContact O-CG 3.43Å; K1002-K1006 PolarHBondContact O-N 2.87Å; K1002-K1006 VanDerWaalsContact O-N 3.1Å
1003	Y	98.6	Very high	96	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-67.3	-47.5	171.4	-64.9	-41.4	0	0	0	111.5	V818 W828 L987 Y988 W989 A999 P1000 C1001 H1005 K1006 L1007 L1027 F1029 L1030	V818-Y1003 HydrophobicContact CG1-CD2 4.44Å; W828-Y1003 HydrophobicContact CD2-CD2 4.19Å; W828-Y1003 HydrophobicContact CD2-CE2 4.2Å; W828-Y1003 AromaticContact CE2-CE2 3.71Å; W828-Y1003 HydrophobicContact CG-CE2 4.48Å; W828-Y1003 HydrophobicContact CZ2-CD2 4.5Å; W828-Y1003 HydrophobicContact CZ2-CE2 4.05Å; W828-Y1003 AromaticContact NE1-CE2 3.72Å; L987-Y1003 PolarHBondContact O-OH 2.88Å; Y988-Y1003 WeakPolarHBondContact CA-OH 3.19Å; Y988-Y1003 AromaticContact CD2-CD1 3.77Å; Y988-Y1003 HydrophobicContact CD2-CD1 3.77Å; Y988-Y1003 AromaticContact CD2-CE1 3.44Å; Y988-Y1003 HydrophobicContact CD2-CE1 3.44Å; Y988-Y1003 VanDerWaalsContact CD2-CE1 3.44Å; Y988-Y1003 AromaticContact CE2-CD1 3.9Å; Y988-Y1003 HydrophobicContact CE2-CD1 3.9Å; Y988-Y1003 AromaticContact CE2-CE1 3.82Å; Y988-Y1003 HydrophobicContact CE2-CE1 3.82Å; Y988-Y1003 HydrophobicContact CG-CE1 4.47Å; W989-Y1003 PolarHBondContact N-OH 3.45Å; A999-Y1003 HydrophobicContact CB-CD2 4.44Å; A999-Y1003 HydrophobicContact CB-CE2 4Å; A999-Y1003 WeakPolarHBondContact O-CD2 3.46Å; A999-Y1003 VanDerWaalsContact O-CG 3.31Å; A999-Y1003 PolarHBondContact O-N 2.96Å; P1000-Y1003 PolarHBondContact O-N 3.15Å; C1001-Y1003 VanDerWaalsContact C-N 3.34Å; Y1003-H1005 PolarHBondContact O-N 2.89Å; Y1003-K1006 WeakPolarHBondContact O-CB 3.12Å; Y1003-K1006 PolarHBondContact O-N 2.92Å; Y1003-K1006 VanDerWaalsContact O-N 3.14Å; Y1003-L1007 WeakPolarHBondContact O-CB 3.29Å; Y1003-L1007 PolarHBondContact O-N 3.44Å; Y1003-L1027 HydrophobicContact CD1-CD2 4.16Å; Y1003-L1027 HydrophobicContact CD2-CD2 4.33Å; Y1003-L1027 HydrophobicContact CE1-CD1 4.05Å; Y1003-L1027 HydrophobicContact CE1-CD2 4.27Å; Y1003-L1027 HydrophobicContact CE2-CD1 4.45Å; Y1003-L1027 HydrophobicContact CE2-CD2 4.45Å; Y1003-L1027 HydrophobicContact CG-CD2 4.2Å; Y1003-F1029 HydrophobicContact CD1-CE2 4.11Å; Y1003-F1029 HydrophobicContact CG-CE2 4.34Å; Y1003-F1029 WeakPolarHBondContact O-CE2 3.42Å; Y1003-L1030 HydrophobicContact CD1-CD2 3.8Å; Y1003-L1030 HydrophobicContact CE1-CD1 4.47Å; Y1003-L1030 HydrophobicContact CE1-CD2 3.79Å
1004	A	98.1	Very high	95.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-57	-47	175.1	0	0	0	0	0	112.7	G800 D802 G816 V818 P1000 C1001 K1006 L1007 A1008	G800-A1004 WeakPolarHBondContact O-CB 3.36Å; D802-A1004 HydrophobicContact CB-CB 4.36Å; G816-A1004 WeakPolarHBondContact O-CB 3.5Å; V818-A1004 HydrophobicContact CG2-CB 4.35Å; P1000-A1004 WeakPolarHBondContact O-CB 3.37Å; P1000-A1004 PolarHBondContact O-N 3.41Å; C1001-A1004 PolarHBondContact O-N 2.86Å; A1004-K1006 VanDerWaalsContact C-N 3.35Å; A1004-K1006 PolarHBondContact O-N 3.38Å; A1004-L1007 PolarHBondContact O-N 3.34Å; A1004-A1008 VanDerWaalsContact O-CB 3.31Å; A1004-A1008 WeakPolarHBondContact O-CB 3.25Å; A1004-A1008 PolarHBondContact O-N 3.23Å
1005	H	96.8	Very high	95.8	Very high	46 Å²	46	18.2 Å²	18.2	21%	0.213	8%	0.082	C	C	.	.	H	α-helix	trans	-58.1	-43.6	173.8	177.6	-112.3	0	0	0	112.6	D802 C1001 Y1003 F1009	D802-H1005 HydrophobicContact CB-CB 4.14Å; D802-H1005 VanDerWaalsContact OD2-CB 3.29Å; D802-H1005 WeakPolarHBondContact OD2-CB 3.23Å; D802-H1005 IonicContact OD2-CD2 3.71Å; D802-H1005 PolarHBondContact OD2-CD2 2.93Å; D802-H1005 IonicContact OD2-CG 3.58Å; C1001-H1005 WeakPolarHBondContact O-CB 3.44Å; C1001-H1005 PolarHBondContact O-N 2.86Å; Y1003-H1005 PolarHBondContact O-N 2.89Å; H1005-F1009 WeakPolarHBondContact O-CB 3.26Å; H1005-F1009 PolarHBondContact O-N 2.95Å
1006	K	97.6	Very high	95.6	Very high	57 Å²	57	21 Å²	21	25%	0.248	10%	0.095	C	C	.	.	H	α-helix	trans	-64.8	-42.6	178.2	-87.9	-78.2	-172.2	159.3	0	112.4	K1002 Y1003 A1004 L1010 F1029	K1002-K1006 WeakPolarHBondContact O-CB 3.43Å; K1002-K1006 WeakPolarHBondContact O-CG 3.43Å; K1002-K1006 PolarHBondContact O-N 2.87Å; K1002-K1006 VanDerWaalsContact O-N 3.1Å; Y1003-K1006 WeakPolarHBondContact O-CB 3.12Å; Y1003-K1006 PolarHBondContact O-N 2.92Å; Y1003-K1006 VanDerWaalsContact O-N 3.14Å; A1004-K1006 VanDerWaalsContact C-N 3.35Å; A1004-K1006 PolarHBondContact O-N 3.38Å; K1006-L1010 WeakPolarHBondContact O-CB 3.37Å; K1006-L1010 PolarHBondContact O-N 3.47Å; K1006-F1029 HydrophobicContact CB-CD2 3.89Å; K1006-F1029 HydrophobicContact CB-CE2 4.34Å
1007	L	97.9	Very high	95.5	Very high	1 Å²	1	21 Å²	21	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-65.6	-47.2	176.8	176.7	66.2	0	0	0	112	V818 R831 V832 Y1003 A1004 L1010 S1011 P1019 F1028 F1029	V818-L1007 HydrophobicContact CG2-CD2 3.92Å; R831-L1007 VanDerWaalsContact O-CD2 3.25Å; R831-L1007 WeakPolarHBondContact O-CD2 3.3Å; V832-L1007 HydrophobicContact CG2-CD1 3.74Å; V832-L1007 HydrophobicContact CG2-CD2 3.94Å; V832-L1007 HydrophobicContact CG2-CG 3.61Å; Y1003-L1007 WeakPolarHBondContact O-CB 3.29Å; Y1003-L1007 PolarHBondContact O-N 3.44Å; A1004-L1007 PolarHBondContact O-N 3.34Å; L1007-L1010 PolarHBondContact O-N 3.28Å; L1007-S1011 WeakPolarHBondContact O-CB 3.49Å; L1007-S1011 PolarHBondContact O-N 3.12Å; L1007-S1011 PolarHBondContact O-OG 3Å; L1007-P1019 HydrophobicContact CD1-CG 4.32Å; L1007-F1028 HydrophobicContact CD1-CE1 4.3Å; L1007-F1028 HydrophobicContact CD1-CZ 3.75Å; L1007-F1029 HydrophobicContact CB-CD1 4.2Å; L1007-F1029 HydrophobicContact CB-CD2 4.13Å; L1007-F1029 HydrophobicContact CB-CE1 4.42Å; L1007-F1029 HydrophobicContact CB-CE2 4.35Å; L1007-F1029 HydrophobicContact CB-CG 4.04Å; L1007-F1029 HydrophobicContact CB-CZ 4.48Å; L1007-F1029 HydrophobicContact CD1-CB 4.28Å; L1007-F1029 HydrophobicContact CD1-CD1 3.69Å; L1007-F1029 HydrophobicContact CD1-CE1 4.26Å; L1007-F1029 HydrophobicContact CD1-CG 4.06Å; L1007-F1029 HydrophobicContact CG-CD1 4.43Å
1008	A	95.2	Very high	95.3	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.008	12%	0.119	C	C	.	.	H	α-helix	trans	-62.4	-43.4	176.3	0	0	0	0	0	111.7	H804 A1004 S1011 G1012	H804-A1008 HydrophobicContact CB-CB 3.77Å; A1004-A1008 VanDerWaalsContact O-CB 3.31Å; A1004-A1008 WeakPolarHBondContact O-CB 3.25Å; A1004-A1008 PolarHBondContact O-N 3.23Å; A1008-S1011 PolarHBondContact O-N 3.48Å; A1008-G1012 PolarHBondContact O-N 3.38Å
1009	F	94.4	Very high	95.2	Very high	70 Å²	70	25.6 Å²	25.6	31%	0.307	13%	0.126	S	C	.	.	H	α-helix	trans	-64.1	-46.9	176.1	179.1	-111.3	0	0	0	112.3	H804 H1005 S1011 Q1013 Y1014	H804-F1009 AromaticContact CE1-CD2 3.64Å; H804-F1009 AromaticContact NE2-CD2 3.98Å; H1005-F1009 WeakPolarHBondContact O-CB 3.26Å; H1005-F1009 PolarHBondContact O-N 2.95Å; F1009-S1011 VanDerWaalsContact C-N 3.3Å; F1009-S1011 PolarHBondContact O-N 3.18Å; F1009-Q1013 HydrophobicContact CD2-CB 4.08Å; F1009-Q1013 HydrophobicContact CE2-CB 3.87Å; F1009-Q1013 HydrophobicContact CE2-CG 3.9Å; F1009-Q1013 HydrophobicContact CZ-CB 4.27Å; F1009-Q1013 HydrophobicContact CZ-CG 4.06Å; F1009-Q1013 WeakPolarHBondContact O-CB 3.48Å; F1009-Q1013 PolarHBondContact O-N 3.03Å; F1009-Y1014 HydrophobicContact CD1-CE2 4.42Å; F1009-Y1014 AromaticContact CE1-CE2 3.72Å; F1009-Y1014 HydrophobicContact CE1-CE2 3.72Å; F1009-Y1014 AromaticContact CZ-CE2 3.96Å; F1009-Y1014 HydrophobicContact CZ-CE2 3.96Å
1010	L	95.6	Very high	95.1	Very high	5 Å²	5	26.5 Å²	26.5	3%	0.026	13%	0.133	C	C	.	.	H	α-helix	trans	-57.7	-46.8	176	176.5	63.3	0	0	0	111.1	Y738 K742 K1006 L1007 Y1014 L1015 F1028 F1029	Y738-L1010 HydrophobicContact CE1-CD1 4.25Å; K742-L1010 HydrophobicContact CB-CD1 4.37Å; K742-L1010 HydrophobicContact CD-CD1 4.24Å; K742-L1010 HydrophobicContact CG-CD1 4.14Å; K1006-L1010 WeakPolarHBondContact O-CB 3.37Å; K1006-L1010 PolarHBondContact O-N 3.47Å; L1007-L1010 PolarHBondContact O-N 3.28Å; L1010-Y1014 HydrophobicContact CD1-CD2 4.31Å; L1010-Y1014 PolarHBondContact O-N 2.86Å; L1010-L1015 HydrophobicContact CD2-CD1 4.5Å; L1010-L1015 HydrophobicContact CG-CD1 4.2Å; L1010-L1015 HydrophobicContact CG-CG 4.21Å; L1010-L1015 PolarHBondContact O-N 3.39Å; L1010-L1015 VanDerWaalsContact O-N 3.08Å; L1010-F1028 HydrophobicContact CD2-CD2 4.46Å; L1010-F1028 HydrophobicContact CD2-CE2 4.13Å; L1010-F1029 HydrophobicContact CD2-CB 3.62Å
1011	S	94.6	Very high	95	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.154	C	C	.	.	I	π-helix	trans	-73.3	-42.1	-172.9	-50.7	0	0	0	0	112.1	V832 L1007 A1008 F1009 H1016	V832-S1011 WeakPolarHBondContact CG2-OG 3.49Å; L1007-S1011 WeakPolarHBondContact O-CB 3.49Å; L1007-S1011 PolarHBondContact O-N 3.12Å; L1007-S1011 PolarHBondContact O-OG 3Å; A1008-S1011 PolarHBondContact O-N 3.48Å; F1009-S1011 VanDerWaalsContact C-N 3.3Å; F1009-S1011 PolarHBondContact O-N 3.18Å; S1011-H1016 WeakPolarHBondContact O-CA 3.26Å; S1011-H1016 PolarHBondContact O-N 2.84Å
1012	G	91.2	Very high	94.9	Very high	7 Å²	7	36 Å²	36	7%	0.072	18%	0.179	C	C	.	.	I	π-helix	trans	-73.2	-45.7	176.2	0	0	0	0	0	113.9	A1008 H1016	A1008-G1012 PolarHBondContact O-N 3.38Å; G1012-H1016 PolarHBondContact O-CE1 3.25Å; G1012-H1016 PolarHBondContact O-ND1 2.8Å
1013	Q	89	Confident	94.9	Very high	58 Å²	58	35.1 Å²	35.1	27%	0.271	18%	0.176	S	C	.	.	I	π-helix	trans	-81.2	-35.8	-173.3	-172.1	63.1	82.2	0	0	113.7	F1009 H1016	F1009-Q1013 HydrophobicContact CD2-CB 4.08Å; F1009-Q1013 HydrophobicContact CE2-CB 3.87Å; F1009-Q1013 HydrophobicContact CE2-CG 3.9Å; F1009-Q1013 HydrophobicContact CZ-CB 4.27Å; F1009-Q1013 HydrophobicContact CZ-CG 4.06Å; F1009-Q1013 WeakPolarHBondContact O-CB 3.48Å; F1009-Q1013 PolarHBondContact O-N 3.03Å; Q1013-H1016 PolarHBondContact O-CE1 2.86Å; Q1013-H1016 VanDerWaalsContact O-CE1 3.29Å
1014	Y	92.3	Very high	94.8	Very high	36 Å²	36	35.7 Å²	35.7	14%	0.141	18%	0.18	C	C	.	.	I	π-helix	trans	-123.6	-31.7	-167.8	-60.5	-78.4	0	0	0	115.5	D735 Y738 S739 K743 F1009 L1010	D735-Y1014 HydrophobicContact CB-CE1 4.12Å; Y738-Y1014 AromaticContact CD1-CD1 3.55Å; Y738-Y1014 HydrophobicContact CD1-CD1 3.55Å; Y738-Y1014 HydrophobicContact CD1-CD2 4.27Å; Y738-Y1014 AromaticContact CD1-CE1 3.65Å; Y738-Y1014 HydrophobicContact CD1-CE1 3.65Å; Y738-Y1014 HydrophobicContact CD1-CE2 4.36Å; Y738-Y1014 AromaticContact CD1-CG 3.87Å; Y738-Y1014 HydrophobicContact CD1-CG 3.87Å; Y738-Y1014 AromaticContact CE1-CD1 3.96Å; Y738-Y1014 HydrophobicContact CE1-CD1 3.96Å; Y738-Y1014 AromaticContact CE1-CD2 3.81Å; Y738-Y1014 HydrophobicContact CE1-CD2 3.81Å; Y738-Y1014 HydrophobicContact CE1-CE1 4.08Å; Y738-Y1014 AromaticContact CE1-CE2 3.95Å; Y738-Y1014 HydrophobicContact CE1-CE2 3.95Å; Y738-Y1014 AromaticContact CE1-CG 3.8Å; Y738-Y1014 HydrophobicContact CE1-CG 3.8Å; S739-Y1014 PolarHBondContact OG-O 2.72Å; K743-Y1014 WeakPolarHBondContact CE-O 3.47Å; F1009-Y1014 HydrophobicContact CD1-CE2 4.42Å; F1009-Y1014 AromaticContact CE1-CE2 3.72Å; F1009-Y1014 HydrophobicContact CE1-CE2 3.72Å; F1009-Y1014 AromaticContact CZ-CE2 3.96Å; F1009-Y1014 HydrophobicContact CZ-CE2 3.96Å; L1010-Y1014 HydrophobicContact CD1-CD2 4.31Å; L1010-Y1014 PolarHBondContact O-N 2.86Å
1015	L	93.5	Very high	94.7	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.026	20%	0.198	C	C	.	.	I	π-helix	trans	-87.7	-42.5	178.3	-55.8	-179.1	0	0	0	112.5	K742 K743 C746 V747 L1010 S1017 P1019	K742-L1015 VanDerWaalsContact C-CD2 3.46Å; K742-L1015 HydrophobicContact CB-CD2 3.83Å; K742-L1015 WeakPolarHBondContact O-CD2 3.25Å; K743-L1015 WeakPolarHBondContact CE-O 3.44Å; K743-L1015 HydrophobicContact CG-CD2 4.3Å; C746-L1015 HydrophobicContact CB-CD1 4.1Å; C746-L1015 HydrophobicContact CB-CD2 4.09Å; V747-L1015 HydrophobicContact CG2-CB 4.47Å; V747-L1015 HydrophobicContact CG2-CD1 4.43Å; V747-L1015 HydrophobicContact CG2-CD2 4.32Å; L1010-L1015 HydrophobicContact CD2-CD1 4.5Å; L1010-L1015 HydrophobicContact CG-CD1 4.2Å; L1010-L1015 HydrophobicContact CG-CG 4.21Å; L1010-L1015 PolarHBondContact O-N 3.39Å; L1010-L1015 VanDerWaalsContact O-N 3.08Å; L1015-S1017 PolarHBondContact O-N 3.19Å; L1015-P1019 HydrophobicContact CD1-CB 4.49Å; L1015-P1019 HydrophobicContact CD1-CG 3.9Å
1016	H	91.4	Very high	94.6	Very high	79 Å²	79	39.1 Å²	39.1	37%	0.366	20%	0.198	S	C	.	.	S	Bend	trans	51.3	33.8	-167.7	-47.4	-39.1	0	0	0	112.8	K809 S1011 G1012 Q1013	K809-H1016 PolarHBondContact NZ-NE2 2.8Å; S1011-H1016 WeakPolarHBondContact O-CA 3.26Å; S1011-H1016 PolarHBondContact O-N 2.84Å; G1012-H1016 PolarHBondContact O-CE1 3.25Å; G1012-H1016 PolarHBondContact O-ND1 2.8Å; Q1013-H1016 PolarHBondContact O-CE1 2.86Å; Q1013-H1016 VanDerWaalsContact O-CE1 3.29Å
1017	S	91.7	Very high	94.6	Very high	51 Å²	51	36.7 Å²	36.7	36%	0.357	19%	0.187	S	C	.	.	S	Bend	trans	-161.7	161.2	-176.5	-167.4	0	0	0	0	109.8	F834 L1015	F834-S1017 VanDerWaalsContact CE2-C 3.44Å; F834-S1017 VanDerWaalsContact CZ-C 3.49Å; F834-S1017 WeakPolarHBondContact CZ-O 3.42Å; L1015-S1017 PolarHBondContact O-N 3.19Å
1018	E	93.1	Very high	94.6	Very high	79 Å²	79	36.8 Å²	36.8	37%	0.369	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-70.3	136.4	171.9	-73.3	-169.8	-161.6	0	0	110.6	V832 F834	V832-E1018 HydrophobicContact CB-CG 4.41Å; V832-E1018 HydrophobicContact CG1-CG 4.4Å; F834-E1018 HydrophobicContact CD2-CG 3.75Å; F834-E1018 HydrophobicContact CE2-CB 4.45Å; F834-E1018 HydrophobicContact CE2-CG 3.67Å
1019	P	96.4	Very high	94.7	Very high	22 Å²	22	37 Å²	37	14%	0.143	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-63.9	145.4	171.7	-20.4	32.3	0	0	0	112.3	C746 V832 L1007 L1015 I1021 F1028	C746-P1019 CarbonylContact O-C 3.58Å; C746-P1019 WeakPolarHBondContact O-CA 3.31Å; V832-P1019 HydrophobicContact CG2-CG 4.03Å; L1007-P1019 HydrophobicContact CD1-CG 4.32Å; L1015-P1019 HydrophobicContact CD1-CB 4.49Å; L1015-P1019 HydrophobicContact CD1-CG 3.9Å; P1019-I1021 PolarHBondContact O-N 2.72Å; P1019-F1028 HydrophobicContact CB-CE1 4.47Å; P1019-F1028 HydrophobicContact CB-CE2 3.88Å; P1019-F1028 HydrophobicContact CB-CZ 3.48Å; P1019-F1028 VanDerWaalsContact CB-CZ 3.48Å; P1019-F1028 HydrophobicContact CG-CE2 4.15Å; P1019-F1028 HydrophobicContact CG-CZ 3.75Å
1020	A	97	Very high	94.8	Very high	19 Å²	19	34.1 Å²	34.1	16%	0.157	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-60.3	133.6	177.8	0	0	0	0	0	112.1	C746 P750 Q1022 L1023	C746-A1020 PolarHBondContact O-N 2.64Å; P750-A1020 HydrophobicContact CB-CB 3.85Å; A1020-Q1022 PolarHBondContact O-N 2.98Å; A1020-Q1022 VanDerWaalsContact O-N 3.09Å; A1020-L1023 PolarHBondContact O-N 2.76Å
1021	I	95.6	Very high	94.7	Very high	83 Å²	83	35.6 Å²	35.6	43%	0.426	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-61.6	-24.7	-168.1	-164.3	64.9	0	0	0	113.8	P1019 L1023 S1024	P1019-I1021 PolarHBondContact O-N 2.72Å; I1021-L1023 PolarHBondContact O-N 3.14Å; I1021-L1023 VanDerWaalsContact O-N 3.15Å; I1021-S1024 VanDerWaalsContact O-CB 3.26Å; I1021-S1024 WeakPolarHBondContact O-CB 3.05Å; I1021-S1024 PolarHBondContact O-N 3.23Å; I1021-S1024 PolarHBondContact O-OG 3.04Å
1022	Q	96	Very high	94.8	Very high	116 Å²	116	37.5 Å²	37.5	54%	0.542	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-67.2	-9.2	177.3	-56.7	85.9	-15.3	0	0	113.9	P750 A1020 K1026	P750-Q1022 HydrophobicContact CB-CB 4.03Å; P750-Q1022 HydrophobicContact CG-CB 4.11Å; P750-Q1022 HydrophobicContact CG-CG 4.32Å; A1020-Q1022 PolarHBondContact O-N 2.98Å; A1020-Q1022 VanDerWaalsContact O-N 3.09Å; Q1022-K1026 PolarHBondContact O-NZ 3.19Å
1023	L	96.9	Very high	95	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-101.1	-6.4	172.6	-61.5	177.3	0	0	0	113.3	C746 P750 P752 A1020 I1021 D1025 K1026 F1028	C746-L1023 HydrophobicContact CB-CD1 4.25Å; P750-L1023 HydrophobicContact CB-CD1 4.38Å; P750-L1023 HydrophobicContact CB-CD2 4.45Å; P750-L1023 HydrophobicContact CB-CG 4.04Å; P752-L1023 HydrophobicContact CG-CD2 4.35Å; A1020-L1023 PolarHBondContact O-N 2.76Å; I1021-L1023 PolarHBondContact O-N 3.14Å; I1021-L1023 VanDerWaalsContact O-N 3.15Å; L1023-D1025 PolarHBondContact O-N 3.19Å; L1023-D1025 VanDerWaalsContact O-N 3.16Å; L1023-K1026 PolarHBondContact O-N 3.02Å; L1023-F1028 HydrophobicContact CB-CB 4.41Å; L1023-F1028 HydrophobicContact CB-CD1 3.59Å; L1023-F1028 HydrophobicContact CB-CD2 4.5Å; L1023-F1028 HydrophobicContact CB-CE1 3.91Å; L1023-F1028 HydrophobicContact CB-CG 3.92Å; L1023-F1028 HydrophobicContact CD1-CB 4.48Å; L1023-F1028 HydrophobicContact CD1-CD2 4.07Å; L1023-F1028 HydrophobicContact CD1-CG 4.13Å; L1023-F1028 WeakPolarHBondContact O-CD1 3.5Å
1024	S	96.9	Very high	95.3	Very high	13 Å²	13	38.1 Å²	38.1	9%	0.091	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-26.9	-170.9	57.4	0	0	0	0	114.4	Y829 S830 I1021 K1026	Y829-S1024 CarbonylContact C-O 3.6Å; Y829-S1024 VanDerWaalsContact CA-O 3.32Å; Y829-S1024 WeakPolarHBondContact CA-O 3.31Å; Y829-S1024 WeakPolarHBondContact CE2-OG 3.32Å; S830-S1024 PolarHBondContact N-O 3.38Å; S830-S1024 WeakPolarHBondContact O-CB 3.48Å; S830-S1024 PolarHBondContact OG-O 2.6Å; I1021-S1024 VanDerWaalsContact O-CB 3.26Å; I1021-S1024 WeakPolarHBondContact O-CB 3.05Å; I1021-S1024 PolarHBondContact O-N 3.23Å; I1021-S1024 PolarHBondContact O-OG 3.04Å; S1024-K1026 VanDerWaalsContact C-N 3.31Å; S1024-K1026 PolarHBondContact O-N 3.15Å
1025	D	95.6	Very high	95.5	Very high	71 Å²	71	38.2 Å²	38.2	38%	0.38	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	2.8	178.1	65.8	-25.9	0	0	0	114.5	W828 L1023	W828-D1025 CarbonylContact O-C 3.56Å; L1023-D1025 PolarHBondContact O-N 3.19Å; L1023-D1025 VanDerWaalsContact O-N 3.16Å
1026	K	95.3	Very high	95.6	Very high	47 Å²	47	40.4 Å²	40.4	20%	0.204	21%	0.211	C	C	.	.	S	Bend	trans	-126.6	153.6	-173.2	-66.7	166.9	-167	80.8	0	111.7	P752 Q1022 L1023 S1024 F1028	P752-K1026 HydrophobicContact CG-CD 4.31Å; Q1022-K1026 PolarHBondContact O-NZ 3.19Å; L1023-K1026 PolarHBondContact O-N 3.02Å; S1024-K1026 VanDerWaalsContact C-N 3.31Å; S1024-K1026 PolarHBondContact O-N 3.15Å; K1026-F1028 WeakPolarHBondContact O-CD1 3.43Å; K1026-F1028 PolarHBondContact O-N 3.01Å
1027	L	97.4	Very high	95.9	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.031	20%	0.2	C	C	.	.			trans	-83.5	46.9	172.9	-61.2	175.4	0	0	0	111.6	K781 W828 W989 Y1003 F1029 L1030	K781-L1027 WeakPolarHBondContact CG-O 3.24Å; W828-L1027 HydrophobicContact CB-CD2 3.87Å; W828-L1027 HydrophobicContact CG-CD2 4.03Å; W989-L1027 HydrophobicContact CE3-CD1 3.61Å; W989-L1027 HydrophobicContact CZ3-CD1 3.88Å; Y1003-L1027 HydrophobicContact CD1-CD2 4.16Å; Y1003-L1027 HydrophobicContact CD2-CD2 4.33Å; Y1003-L1027 HydrophobicContact CE1-CD1 4.05Å; Y1003-L1027 HydrophobicContact CE1-CD2 4.27Å; Y1003-L1027 HydrophobicContact CE2-CD1 4.45Å; Y1003-L1027 HydrophobicContact CE2-CD2 4.45Å; Y1003-L1027 HydrophobicContact CG-CD2 4.2Å; L1027-F1029 HydrophobicContact CD2-CE1 4.17Å; L1027-F1029 HydrophobicContact CD2-CE2 4.19Å; L1027-F1029 HydrophobicContact CD2-CZ 3.52Å; L1027-F1029 PolarHBondContact O-N 3.3Å; L1027-L1030 HydrophobicContact CB-CD1 3.64Å; L1027-L1030 HydrophobicContact CB-CG 3.93Å; L1027-L1030 HydrophobicContact CD1-CD1 4.09Å; L1027-L1030 HydrophobicContact CG-CD1 4.47Å; L1027-L1030 WeakPolarHBondContact O-CG 3.28Å; L1027-L1030 PolarHBondContact O-N 3.12Å
1028	F	97.6	Very high	96.3	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.009	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.8	-173.8	70.4	-88	0	0	0	114.3	C746 L1007 L1010 P1019 L1023 K1026	C746-F1028 HydrophobicContact CB-CE2 4.34Å; L1007-F1028 HydrophobicContact CD1-CE1 4.3Å; L1007-F1028 HydrophobicContact CD1-CZ 3.75Å; L1010-F1028 HydrophobicContact CD2-CD2 4.46Å; L1010-F1028 HydrophobicContact CD2-CE2 4.13Å; P1019-F1028 HydrophobicContact CB-CE1 4.47Å; P1019-F1028 HydrophobicContact CB-CE2 3.88Å; P1019-F1028 HydrophobicContact CB-CZ 3.48Å; P1019-F1028 VanDerWaalsContact CB-CZ 3.48Å; P1019-F1028 HydrophobicContact CG-CE2 4.15Å; P1019-F1028 HydrophobicContact CG-CZ 3.75Å; L1023-F1028 HydrophobicContact CB-CB 4.41Å; L1023-F1028 HydrophobicContact CB-CD1 3.59Å; L1023-F1028 HydrophobicContact CB-CD2 4.5Å; L1023-F1028 HydrophobicContact CB-CE1 3.91Å; L1023-F1028 HydrophobicContact CB-CG 3.92Å; L1023-F1028 HydrophobicContact CD1-CB 4.48Å; L1023-F1028 HydrophobicContact CD1-CD2 4.07Å; L1023-F1028 HydrophobicContact CD1-CG 4.13Å; L1023-F1028 WeakPolarHBondContact O-CD1 3.5Å; K1026-F1028 WeakPolarHBondContact O-CD1 3.43Å; K1026-F1028 PolarHBondContact O-N 3.01Å
1029	F	97.3	Very high	96.5	Very high	5 Å²	5	33.1 Å²	33.1	2%	0.022	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	6	-172.9	52.1	-98.1	0	0	0	115.2	V818 Y1003 K1006 L1007 L1010 L1027	V818-F1029 HydrophobicContact CG2-CZ 4.17Å; Y1003-F1029 HydrophobicContact CD1-CE2 4.11Å; Y1003-F1029 HydrophobicContact CG-CE2 4.34Å; Y1003-F1029 WeakPolarHBondContact O-CE2 3.42Å; K1006-F1029 HydrophobicContact CB-CD2 3.89Å; K1006-F1029 HydrophobicContact CB-CE2 4.34Å; L1007-F1029 HydrophobicContact CB-CD1 4.2Å; L1007-F1029 HydrophobicContact CB-CD2 4.13Å; L1007-F1029 HydrophobicContact CB-CE1 4.42Å; L1007-F1029 HydrophobicContact CB-CE2 4.35Å; L1007-F1029 HydrophobicContact CB-CG 4.04Å; L1007-F1029 HydrophobicContact CB-CZ 4.48Å; L1007-F1029 HydrophobicContact CD1-CB 4.28Å; L1007-F1029 HydrophobicContact CD1-CD1 3.69Å; L1007-F1029 HydrophobicContact CD1-CE1 4.26Å; L1007-F1029 HydrophobicContact CD1-CG 4.06Å; L1007-F1029 HydrophobicContact CG-CD1 4.43Å; L1010-F1029 HydrophobicContact CD2-CB 3.62Å; L1027-F1029 HydrophobicContact CD2-CE1 4.17Å; L1027-F1029 HydrophobicContact CD2-CE2 4.19Å; L1027-F1029 HydrophobicContact CD2-CZ 3.52Å; L1027-F1029 PolarHBondContact O-N 3.3Å
1030	L	96.3	Very high	96.5	Very high	11 Å²	11	34.1 Å²	34.1	6%	0.058	18%	0.175	C	C	.	.			trans	-73.8	0	-177.5	-70.1	-176.7	0	0	0	116.1	Q777 K781 Y988 N990 Y1003 L1027	Q777-L1030 HydrophobicContact CG-CB 4.18Å; Q777-L1030 PolarHBondContact NE2-O 3.48Å; K781-L1030 WeakPolarHBondContact CE-OXT 3.31Å; K781-L1030 PolarHBondContact NZ-OXT 3.25Å; Y988-L1030 HydrophobicContact CE2-CD2 4.24Å; N990-L1030 PolarHBondContact ND2-O 3.17Å; Y1003-L1030 HydrophobicContact CD1-CD2 3.8Å; Y1003-L1030 HydrophobicContact CE1-CD1 4.47Å; Y1003-L1030 HydrophobicContact CE1-CD2 3.79Å; L1027-L1030 HydrophobicContact CB-CD1 3.64Å; L1027-L1030 HydrophobicContact CB-CG 3.93Å; L1027-L1030 HydrophobicContact CD1-CD1 4.09Å; L1027-L1030 HydrophobicContact CG-CD1 4.47Å; L1027-L1030 WeakPolarHBondContact O-CG 3.28Å; L1027-L1030 PolarHBondContact O-N 3.12Å

Retrieved 1,030 of 1,030 residues in 1505 ms (Link to these results)

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