A0A077ZCY6_TRITR Loading...

Kringle domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCY6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,072 aa.

						>A0A077ZCY6_TRITR|A0A077ZCY6
MKCSQVSKSYTNLQTLYTGTSDHTQLSLHVGQSTLDEDAPTSISKPTVDSNNAPDTHFAIMDIKNLTVPKALLPYPYIGTRKRRMGDSCVNPGRKYYKGKSNYTGENYDMYLWRNQTSADTKDTSTNENLDLTFRQALEPLRCPESKKAIAAPEDSLAETCIPYVFGTYVGFYTNPTNAGCPWSGSDYVARCNDDLCAIVNGKFGATCKTTEGISRLPCPNICEHNHWKCDPNKLFLKSHYKSYRHFLITDPYEPEMKIRNFQNAPTETNTPEKSNVQRIILKGGIRKQSIALSQCSEEEYRNQTPAYDVGCISEDAMRIFIYHKRGETLVTYKKTTAYGRECKGNDTTPAVCMFNATGKEIPSCHTEGPNIQPCFPVCRKHDPQLNHIRHLGYRTRKELETIESKASQQGVPPFILFPSRRKEEGYEVFCGTKMQYAHLFKQLPGNVECFNEYPIGFEKLNTTQLYHDLLNLEGFTYVDTEESCTHGTANKLSAIAKENRRHKVIKILTETVDREYPGCRPKHNSMASYSGTTARTIHGYKCERWQDVKMHNFRDHHFPDGSVRHANNYCRNPDKSPCGPWCYYKIGNKLKREPCFNTCVEMQNETYVACRPGPVLQWSDNNMFRIEPSSKTRTGRPCVAKPSVQYAHNYRSYRKAPICLEDESHSYIGPMCYINATTREPCYYACEHRNLLCIDRDHMLNIEYNGPKNTSVHGLPCLQWTYVMSFLKEGQFNYQWKWIFEDTRASALPHLFSKPIQHNQCLNILTLLKDQASYYKFPGMDPVILKGPICFVNEQDFIVPQPCFLTCEDMSIEENNCIERATIQTTVYTGFRNTTKTRTGCLRWDERYSRSNLPWEITGPLHNYCRNYGDSELGPWCYVFDKGVERKACFDVCPENKTLVRHKEADHNWQYGACIEHSDCCQDVETIIEAPTEEKYSEILSQLDKIWPDPSKEIREIMLRQDEDEEKENKLIMYFGIYAVSHLFVCICWIWWINRGPDPEKERENLEVEEEKERLKEVAESLAKKTKTPRRRPSGSFSDSGKSKSREWFSGFRRSRTPALGPSQSVGQRNF
					

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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	30.3	Very low	29.4	Very low	243 Å²	243	154.4 Å²	154.4	100%	1.197	82%	0.824	S	S	*	*				0	17.7	0	-84.4	-172.5	175	0	0	115.3
2	K	35.5	Very low	29.1	Very low	192 Å²	192	154.3 Å²	154.3	84%	0.835	82%	0.824	S	S	*	*			trans	-122.4	4.4	179.7	-82.5	-174	176.1	-179.7	0	116.5
3	C	27.9	Very low	28.8	Very low	133 Å²	133	154.2 Å²	154.2	90%	0.899	82%	0.822	S	S	*	*	S	Bend	trans	-89.6	-6.7	-176.4	-60.6	0	0	0	0	115.3
4	S	31.6	Very low	28.4	Very low	106 Å²	106	156.9 Å²	156.9	74%	0.741	83%	0.828	S	S	*	*	S	Bend	trans	-95.7	-1.1	-175.7	66.1	0	0	0	0	115.6
5	Q	30.1	Very low	28.2	Very low	169 Å²	169	155.1 Å²	155.1	79%	0.79	83%	0.826	S	S	*	*	S	Bend	trans	-99.2	-6.9	-177.9	-81.9	-173.8	-21.5	0	0	115.6
6	V	31.2	Very low	27.9	Very low	113 Å²	113	154.9 Å²	154.9	69%	0.685	82%	0.824	S	S	*	*	G	3₁₀ helix	trans	-87.2	-13.3	-178.4	-175.7	0	0	0	0	112.9	K8	V6-K8 VanDerWaalsContact C-N 3.32Å; V6-K8 PolarHBondContact O-N 3.11Å
7	S	29.7	Very low	27.7	Very low	107 Å²	107	158.6 Å²	158.6	75%	0.748	83%	0.825	S	S	*	*	G	3₁₀ helix	trans	-77.5	-5.5	-178.8	159.8	0	0	0	0	115.1
8	K	27.8	Very low	27.5	Very low	190 Å²	190	158.3 Å²	158.3	83%	0.826	83%	0.832	S	S	*	*	G	3₁₀ helix	trans	-106.3	9.1	-172.6	-89.4	-174.4	176.2	-179.4	0	116.7	V6	V6-K8 VanDerWaalsContact C-N 3.32Å; V6-K8 PolarHBondContact O-N 3.11Å
9	S	27.7	Very low	27.5	Very low	105 Å²	105	153.5 Å²	153.5	73%	0.734	82%	0.824	S	S	*	*	S	Bend	trans	-111.1	8	-177.7	-57.4	0	0	0	0	115.1
10	Y	25.6	Very low	27.5	Very low	214 Å²	214	152.5 Å²	152.5	84%	0.839	82%	0.824	S	S	*	*	S	Bend	trans	-99.6	16.7	-168.4	-108.6	-82.3	0	0	0	117.2
11	T	26.2	Very low	27.3	Very low	126 Å²	126	149.7 Å²	149.7	77%	0.773	82%	0.816	S	S	*	*	S	Bend	trans	-119.4	9.6	-170.9	16.4	0	0	0	0	118
12	N	25.6	Very low	27.2	Very low	154 Å²	154	145.5 Å²	145.5	82%	0.824	80%	0.799	S	S	*	*	S	Bend	trans	-133.7	24.2	-171.8	-89.9	-14.4	0	0	0	118.5
13	L	25.1	Very low	26.7	Very low	152 Å²	152	144.3 Å²	144.3	80%	0.796	80%	0.795	S	S	*	*			trans	-131.2	32	176.6	-94.1	158.8	0	0	0	114.9	T15 L16	L13-T15 VanDerWaalsContact C-N 3.35Å; L13-L16 HydrophobicContact CD2-CD1 4.31Å
14	Q	24	Very low	26.6	Very low	193 Å²	193	144.2 Å²	144.2	90%	0.902	79%	0.791	S	S	*	*			trans	-93	22.6	175.6	-127.7	175.5	2.6	0	0	114.2
15	T	24.6	Very low	26.2	Very low	130 Å²	130	147.7 Å²	147.7	80%	0.798	80%	0.796	S	S	*	*			trans	-126.3	23.8	-174.2	24.9	0	0	0	0	115.4	L13	L13-T15 VanDerWaalsContact C-N 3.35Å
16	L	24.3	Very low	25.8	Very low	151 Å²	151	147.7 Å²	147.7	79%	0.791	80%	0.8	S	S	*	*			trans	-118.3	57.1	168.9	-89.1	146	0	0	0	110.8	L13	L13-L16 HydrophobicContact CD2-CD1 4.31Å
17	Y	23.8	Very low	25.4	Very low	218 Å²	218	146.8 Å²	146.8	86%	0.855	80%	0.799	S	S	*	*			trans	-123	121.4	158.9	-89.8	-86.6	0	0	0	107.6
18	T	24.8	Very low	24.9	Very low	153 Å²	153	149.6 Å²	149.6	94%	0.939	81%	0.805	S	S	*	*			trans	133.8	96.4	158.9	53.2	0	0	0	0	110.8
19	G	27.1	Very low	24.8	Very low	67 Å²	67	149.2 Å²	149.2	69%	0.691	81%	0.805	S	S	*	*			trans	-169	79.2	179.5	0	0	0	0	0	111.8
20	T	27.4	Very low	24.5	Very low	133 Å²	133	150.4 Å²	150.4	82%	0.816	81%	0.808	S	S	*	*			trans	55.6	113.6	149.1	56.7	0	0	0	0	120.1
21	S	22.9	Very low	24.4	Very low	94 Å²	94	143.6 Å²	143.6	66%	0.657	80%	0.803	S	S	*	*			trans	-47	126	153	51.3	0	0	0	0	113.6
22	D	28.3	Very low	24.2	Very low	156 Å²	156	146.3 Å²	146.3	83%	0.834	81%	0.807	S	S	*	*			trans	-121.9	104.3	153	-91.2	-32.8	0	0	0	108.9	T24	D22-T24 PolarHBondContact O-N 3.39Å
23	H	25.1	Very low	24.1	Very low	166 Å²	166	144.7 Å²	144.7	77%	0.769	81%	0.808	S	S	*	*			trans	-73.7	108.3	171.5	-76.9	-83.4	0	0	0	109.2
24	T	24.9	Very low	24	Very low	132 Å²	132	143.3 Å²	143.3	81%	0.81	81%	0.806	S	S	*	*			trans	-116.3	90.3	158.2	29.8	0	0	0	0	108.7	D22 L26	D22-T24 PolarHBondContact O-N 3.39Å; T24-L26 PolarHBondContact O-N 3Å
25	Q	23.8	Very low	23.9	Very low	178 Å²	178	141.8 Å²	141.8	83%	0.832	80%	0.803	S	S	*	*			trans	-66.9	108	165.7	-80.4	179.1	-34.1	0	0	108.7	S27	Q25-S27 PolarHBondContact O-N 2.78Å
26	L	21.2	Very low	24	Very low	169 Å²	169	142.8 Å²	142.8	89%	0.885	80%	0.804	S	S	*	*			trans	-83.9	98.4	158	-102.1	106.7	0	0	0	108.2	T24	T24-L26 PolarHBondContact O-N 3Å
27	S	22.5	Very low	23.9	Very low	95 Å²	95	144 Å²	144	66%	0.664	81%	0.805	S	S	*	*			trans	-81.3	109.1	171.2	38.9	0	0	0	0	109.8	Q25 H29	Q25-S27 PolarHBondContact O-N 2.78Å; S27-H29 PolarHBondContact O-N 3Å
28	L	20.7	Very low	24.2	Very low	166 Å²	166	140.9 Å²	140.9	87%	0.869	80%	0.803	S	S	*	*			trans	-66.3	114.9	167.3	-94.7	115.1	0	0	0	109.5	V30	L28-V30 PolarHBondContact O-N 2.74Å
29	H	24.1	Very low	24.1	Very low	181 Å²	181	137.8 Å²	137.8	84%	0.838	79%	0.793	S	S	*	*			trans	-70.6	116.9	170.8	-97.5	33.4	0	0	0	110.5	S27 G31	S27-H29 PolarHBondContact O-N 3Å; H29-G31 PolarHBondContact O-N 3.2Å
30	V	22.4	Very low	24	Very low	130 Å²	130	140.8 Å²	140.8	79%	0.788	80%	0.8	S	S	*	*			trans	-75.7	100.6	168.1	177.1	0	0	0	0	107.6	L28 Q32	L28-V30 PolarHBondContact O-N 2.74Å; V30-Q32 PolarHBondContact O-N 2.77Å
31	G	24	Very low	24	Very low	72 Å²	72	140.8 Å²	140.8	74%	0.742	80%	0.8	S	S	*	*			trans	-76.5	100.8	170.6	0	0	0	0	0	110.4	H29 S33	H29-G31 PolarHBondContact O-N 3.2Å; G31-S33 PolarHBondContact O-N 3.18Å
32	Q	21.4	Very low	24	Very low	183 Å²	183	141.9 Å²	141.9	86%	0.855	81%	0.808	S	S	*	*			trans	-68.7	109.3	163.4	-72.1	173.4	-32.2	0	0	108.2	V30	V30-Q32 PolarHBondContact O-N 2.77Å
33	S	23.3	Very low	23.9	Very low	120 Å²	120	142 Å²	142	84%	0.839	81%	0.807	S	S	*	*			trans	-103.1	124.6	162.7	50.3	0	0	0	0	108.3	G31	G31-S33 PolarHBondContact O-N 3.18Å
34	T	24.1	Very low	23.8	Very low	123 Å²	123	139.2 Å²	139.2	76%	0.755	81%	0.806	S	S	*	*			trans	-76.1	148.6	-173.5	40.3	0	0	0	0	111.6	D36	T34-D36 PolarHBondContact O-N 3.41Å
35	L	21.3	Very low	23.7	Very low	160 Å²	160	141.9 Å²	141.9	84%	0.838	81%	0.807	S	S	*	*			trans	-37.4	118.5	164.3	-69.9	137.4	0	0	0	113
36	D	26	Very low	23.7	Very low	152 Å²	152	138.9 Å²	138.9	81%	0.813	80%	0.803	S	S	*	*			trans	-105.1	103.3	155	-79.8	-32.9	0	0	0	107.8	T34	T34-D36 PolarHBondContact O-N 3.41Å
37	E	23.8	Very low	23.8	Very low	177 Å²	177	137 Å²	137	83%	0.827	80%	0.798	S	S	*	*			trans	-77.8	103.9	161.8	-70.1	-174.6	151.9	0	0	107.7
38	D	28.3	Very low	24	Very low	152 Å²	152	139 Å²	139	81%	0.813	81%	0.806	S	S	*	*			trans	-142.6	111.5	164.6	-96	-36.8	0	0	0	112.5
39	A	23.8	Very low	24.2	Very low	88 Å²	88	137.8 Å²	137.8	73%	0.727	80%	0.801	S	S	*	*			trans	43.4	127.8	150.8	0	0	0	0	0	121.9
40	P	25.3	Very low	24.2	Very low	129 Å²	129	134.2 Å²	134.2	84%	0.838	80%	0.796	S	S	*	*			trans	-81.9	129.9	179.6	32.7	-31.2	0	0	0	112.3
41	T	26.8	Very low	24.4	Very low	133 Å²	133	134.7 Å²	134.7	82%	0.816	79%	0.794	S	S	*	*			trans	-91.7	112.7	164.6	33	0	0	0	0	110	I43	T41-I43 PolarHBondContact O-N 2.99Å
42	S	22.6	Very low	24.5	Very low	117 Å²	117	138.9 Å²	138.9	82%	0.818	80%	0.8	S	S	*	*			trans	-59.1	114.9	170.2	53.5	0	0	0	0	111
43	I	25.8	Very low	24.6	Very low	160 Å²	160	134.7 Å²	134.7	82%	0.821	80%	0.796	S	S	*	*			trans	-114.1	111.9	158	-62.8	178.3	0	0	0	107.6	T41	T41-I43 PolarHBondContact O-N 2.99Å
44	S	23.4	Very low	24.7	Very low	107 Å²	107	134 Å²	134	75%	0.748	79%	0.788	S	S	*	*			trans	-50.1	127.2	-177.9	45.2	0	0	0	0	113.4
45	K	22.5	Very low	24.7	Very low	188 Å²	188	135.6 Å²	135.6	82%	0.817	79%	0.792	S	S	*	*			trans	-64.5	132.7	160.8	-78.7	177	175.4	175.8	0	109.3	T47	K45-T47 PolarHBondContact O-N 2.89Å
46	P	25.3	Very low	24.8	Very low	115 Å²	115	133.9 Å²	133.9	75%	0.747	79%	0.789	S	S	*	*			trans	-71.6	111.1	163.7	17.9	-9.8	0	0	0	108.4	V48	P46-V48 PolarHBondContact O-N 2.78Å
47	T	22.8	Very low	24.8	Very low	128 Å²	128	135.2 Å²	135.2	79%	0.785	79%	0.79	S	S	*	*			trans	-63.3	112.3	159.3	43.2	0	0	0	0	108.2	K45	K45-T47 PolarHBondContact O-N 2.89Å
48	V	26.4	Very low	24.7	Very low	137 Å²	137	136.3 Å²	136.3	83%	0.83	79%	0.792	S	S	*	*			trans	-111	119.6	162	177.1	0	0	0	0	106.6	P46 S50	P46-V48 PolarHBondContact O-N 2.78Å; V48-S50 PolarHBondContact O-N 3.37Å
49	D	25.2	Very low	24.4	Very low	142 Å²	142	132.9 Å²	132.9	76%	0.759	79%	0.785	S	S	*	*			trans	-53.2	123.2	-168.4	-75.6	-55.7	0	0	0	113.8	N51	D49-N51 PolarHBondContact O-N 3.21Å
50	S	24.1	Very low	24.4	Very low	105 Å²	105	135.5 Å²	135.5	73%	0.734	79%	0.785	S	S	*	*			trans	-69	93.2	150.3	53.3	0	0	0	0	108	V48	V48-S50 PolarHBondContact O-N 3.37Å
51	N	26	Very low	24.2	Very low	140 Å²	140	136.7 Å²	136.7	75%	0.749	78%	0.781	S	S	*	*			trans	-178.4	92.9	157	-87.8	-25.8	0	0	0	108.2	D49	D49-N51 PolarHBondContact O-N 3.21Å
52	N	26.1	Very low	24.1	Very low	161 Å²	161	136.4 Å²	136.4	86%	0.861	78%	0.775	S	S	*	*			trans	163.7	73.2	149.4	-82.2	-19.3	0	0	0	107.7	P54	N52-P54 WeakPolarHBondContact O-CD 3.33Å
53	A	22.9	Very low	24.2	Very low	94 Å²	94	136.6 Å²	136.6	78%	0.777	77%	0.765	S	S	*	*			trans	-82.1	109.7	151.9	0	0	0	0	0	105.5	D55	A53-D55 PolarHBondContact O-N 2.99Å
54	P	26.4	Very low	24.1	Very low	105 Å²	105	136.9 Å²	136.9	68%	0.682	76%	0.761	S	S	*	*			trans	-72.6	123.2	168.5	-2.7	21	0	0	0	106.7	N52 T56	N52-P54 WeakPolarHBondContact O-CD 3.33Å; P54-T56 PolarHBondContact O-N 2.87Å
55	D	24.1	Very low	24.2	Very low	157 Å²	157	138.6 Å²	138.6	84%	0.84	76%	0.762	S	S	*	*			trans	-55.4	84.6	165.5	-70.9	-48.4	0	0	0	109.8	A53 H57	A53-D55 PolarHBondContact O-N 2.99Å; D55-H57 VanDerWaalsContact C-N 3.3Å; D55-H57 PolarHBondContact O-N 3.3Å; D55-H57 VanDerWaalsContact O-N 3.11Å
56	T	23.6	Very low	24.3	Very low	124 Å²	124	136.1 Å²	136.1	76%	0.761	76%	0.757	S	S	*	*			trans	-82.2	90.1	164.7	45.3	0	0	0	0	106.8	P54 F58	P54-T56 PolarHBondContact O-N 2.87Å; T56-F58 PolarHBondContact O-N 2.91Å
57	H	25.7	Very low	24.2	Very low	180 Å²	180	136.4 Å²	136.4	83%	0.833	76%	0.756	S	S	*	*			trans	-38.6	124.7	166.8	-94.3	-45.5	0	0	0	110.4	D55 A59	D55-H57 VanDerWaalsContact C-N 3.3Å; D55-H57 PolarHBondContact O-N 3.3Å; D55-H57 VanDerWaalsContact O-N 3.11Å; H57-A59 PolarHBondContact O-N 3.48Å
58	F	22	Very low	24.2	Very low	200 Å²	200	135.9 Å²	135.9	88%	0.877	75%	0.753	S	S	*	*			trans	-52.4	86.6	159.8	-86.1	-98.8	0	0	0	108.9	T56 I60	T56-F58 PolarHBondContact O-N 2.91Å; F58-I60 PolarHBondContact O-N 3.16Å
59	A	22.3	Very low	24	Very low	80 Å²	80	134.4 Å²	134.4	66%	0.661	75%	0.746	S	S	*	*			trans	-70.8	94.1	158.2	0	0	0	0	0	105.7	H57 M61	H57-A59 PolarHBondContact O-N 3.48Å; A59-M61 PolarHBondContact O-N 2.91Å
60	I	23.5	Very low	23.9	Very low	144 Å²	144	137.8 Å²	137.8	74%	0.738	75%	0.754	S	S	*	*			trans	-56.7	88.9	159.5	-62.6	168.4	0	0	0	105.1	F58 D62	F58-I60 PolarHBondContact O-N 3.16Å; I60-D62 VanDerWaalsContact C-N 3.28Å; I60-D62 PolarHBondContact O-N 3.27Å
61	M	21.7	Very low	23.9	Very low	153 Å²	153	136.8 Å²	136.8	75%	0.754	75%	0.752	S	S	*	*			trans	-71.1	98.5	166.2	-82.2	-166.1	-92.8	0	0	105.8	A59 I63	A59-M61 PolarHBondContact O-N 2.91Å; M61-I63 HydrophobicContact CB-CG1 4.28Å; M61-I63 PolarHBondContact O-N 3.12Å
62	D	24	Very low	23.8	Very low	127 Å²	127	138 Å²	138	68%	0.679	76%	0.758	S	S	*	*			trans	-50.9	84.7	157.7	-104.3	-32.4	0	0	0	108.1	I60 K64	I60-D62 VanDerWaalsContact C-N 3.28Å; I60-D62 PolarHBondContact O-N 3.27Å; D62-K64 PolarHBondContact O-N 3.16Å
63	I	23.9	Very low	23.6	Very low	121 Å²	121	138.4 Å²	138.4	62%	0.621	76%	0.759	S	S	*	*			trans	-79.9	63.7	167.5	-56.6	174.8	0	0	0	107.1	M61 L66	M61-I63 HydrophobicContact CB-CG1 4.28Å; M61-I63 PolarHBondContact O-N 3.12Å; I63-L66 HydrophobicContact CG2-CB 4.02Å; I63-L66 HydrophobicContact CG2-CD1 3.74Å; I63-L66 HydrophobicContact CG2-CG 4.45Å
64	K	25	Very low	23.6	Very low	166 Å²	166	139.2 Å²	139.2	72%	0.722	76%	0.756	S	S	*	*			trans	-84.8	108.8	144.5	-72.3	177.5	179.9	169.8	0	104.7	D62	D62-K64 PolarHBondContact O-N 3.16Å
65	N	25.4	Very low	23.6	Very low	144 Å²	144	144.6 Å²	144.6	77%	0.77	76%	0.764	S	S	*	*			trans	128.9	21.2	164.5	-62.4	-18.2	0	0	0	117.5	T67	N65-T67 PolarHBondContact O-N 2.79Å
66	L	23.5	Very low	23.7	Very low	136 Å²	136	142 Å²	142	71%	0.712	76%	0.757	S	S	*	*			trans	-81.6	75.3	155.9	-101	135.3	0	0	0	109.8	I63 V68	I63-L66 HydrophobicContact CG2-CB 4.02Å; I63-L66 HydrophobicContact CG2-CD1 3.74Å; I63-L66 HydrophobicContact CG2-CG 4.45Å; L66-V68 VanDerWaalsContact C-N 3.32Å; L66-V68 PolarHBondContact O-N 3.25Å
67	T	23.8	Very low	23.6	Very low	120 Å²	120	146.1 Å²	146.1	74%	0.736	76%	0.76	S	S	*	*			trans	-59.6	93.2	159.9	41.9	0	0	0	0	108.4	N65 P69	N65-T67 PolarHBondContact O-N 2.79Å; T67-P69 VanDerWaalsContact O-CD 3.27Å; T67-P69 WeakPolarHBondContact O-CD 3.27Å
68	V	21.9	Very low	23.4	Very low	117 Å²	117	143.3 Å²	143.3	71%	0.709	75%	0.749	S	S	*	*			trans	-68	118.7	167	-178.8	0	0	0	0	107.2	L66 K70	L66-V68 VanDerWaalsContact C-N 3.32Å; L66-V68 PolarHBondContact O-N 3.25Å; V68-K70 PolarHBondContact O-N 3.31Å
69	P	23	Very low	23.3	Very low	107 Å²	107	137.5 Å²	137.5	70%	0.695	75%	0.746	S	S	*	*			trans	-60.3	124.6	178.4	-19.2	31.5	0	0	0	109.6	T67 A71	T67-P69 VanDerWaalsContact O-CD 3.27Å; T67-P69 WeakPolarHBondContact O-CD 3.27Å; P69-A71 PolarHBondContact O-N 3.5Å
70	K	23.6	Very low	23.2	Very low	213 Å²	213	139.8 Å²	139.8	93%	0.926	75%	0.752	S	S	*	*	S	Bend	trans	-64.3	27.1	178.4	-97.2	179.7	174.3	176.9	0	114.8	V68	V68-K70 PolarHBondContact O-N 3.31Å
71	A	24	Very low	23	Very low	84 Å²	84	145.2 Å²	145.2	69%	0.694	76%	0.763	S	S	*	*			trans	-99.9	3.2	-161.3	0	0	0	0	0	116.4	P69	P69-A71 PolarHBondContact O-N 3.5Å
72	L	23.1	Very low	23	Very low	166 Å²	166	147.3 Å²	147.3	87%	0.869	77%	0.768	S	S	*	*			trans	-135.3	33.8	-177.2	-90.6	154.7	0	0	0	114.7
73	L	22.2	Very low	22.8	Very low	169 Å²	169	153 Å²	153	89%	0.885	78%	0.78	S	S	*	*			trans	-104.2	107.5	161.5	-77.2	167.2	0	0	0	109.2	Y75	L73-Y75 PolarHBondContact O-N 2.96Å
74	P	23.6	Very low	22.8	Very low	110 Å²	110	159.1 Å²	159.1	71%	0.714	80%	0.795	S	S	*	*			trans	-79.6	112.7	179.9	20.6	-13.1	0	0	0	111.5
75	Y	25.7	Very low	22.6	Very low	218 Å²	218	160.1 Å²	160.1	86%	0.855	81%	0.805	S	S	*	*			trans	80.5	149.9	140.6	-82.2	-86.4	0	0	0	120.5	L73	L73-Y75 PolarHBondContact O-N 2.96Å
76	P	26.5	Very low	22.5	Very low	104 Å²	104	156.1 Å²	156.1	68%	0.675	80%	0.798	S	S	*	*				-142.2	164.7	-108.5	35.5	-11.5	0	0	0	116.2
77	Y	21	Very low	22.6	Very low	210 Å²	210	157.2 Å²	157.2	82%	0.824	80%	0.804	S	S	*	*			trans	22.8	121.7	140.4	-111.8	-123	0	0	0	122.7
78	I	22.5	Very low	22.6	Very low	121 Å²	121	156.4 Å²	156.4	62%	0.621	80%	0.803	S	S	*	*			trans	59.2	117.8	130.5	-55.5	-169.2	0	0	0	120.3	T80	I78-T80 HydrophobicContact CG2-CG2 4.42Å
79	G	20.1	Very low	22.5	Very low	78 Å²	78	157.2 Å²	157.2	80%	0.804	81%	0.812	S	S	*	*			trans	-137.8	100.3	154.6	0	0	0	0	0	111.5
80	T	18.8	Very low	22.7	Very low	128 Å²	128	158.8 Å²	158.8	79%	0.785	82%	0.82	S	S	*	*			trans	-75.3	119.2	169.2	41.4	0	0	0	0	109.6	I78	I78-T80 HydrophobicContact CG2-CG2 4.42Å
81	R	20.8	Very low	22.6	Very low	257 Å²	257	156 Å²	156	97%	0.97	82%	0.815	S	S	*	*			trans	-95.4	113.4	177.5	-126.6	178.5	-174.9	-172.4	1.6	110.8
82	K	21.8	Very low	22.6	Very low	198 Å²	198	157.9 Å²	157.9	86%	0.861	82%	0.82	S	S	*	*			trans	-61.5	140.1	178.8	-70.4	177.3	175.1	177.6	0	112.4
83	R	19.5	Very low	22.6	Very low	247 Å²	247	153.2 Å²	153.2	93%	0.932	81%	0.813	S	S	*	*			trans	-46.7	130.4	163.7	-85.5	174.1	161.2	172.6	-6.8	111
84	R	22.8	Very low	22.4	Very low	248 Å²	248	156.9 Å²	156.9	94%	0.936	82%	0.815	S	S	*	*			trans	-111.9	120.2	153.7	-90.4	-170.4	176.9	-179	-0.9	108.7
85	M	21.3	Very low	22.3	Very low	188 Å²	188	160.3 Å²	160.3	93%	0.926	82%	0.818	S	S	*	*			trans	-66.9	152.3	167.2	-76	166.7	153.4	0	0	110.6
86	G	22.8	Very low	22.1	Very low	60 Å²	60	160.9 Å²	160.9	62%	0.619	82%	0.82	S	S	*	*			trans	72.5	108.7	150.9	0	0	0	0	0	115.6
87	D	26.2	Very low	21.8	Very low	159 Å²	159	166.2 Å²	166.2	85%	0.85	83%	0.828	S	S	*	*				176.3	120.2	110.4	-80.6	-19.5	0	0	0	111.4
88	S	23.4	Very low	21.7	Very low	103 Å²	103	166.1 Å²	166.1	72%	0.72	83%	0.832	S	S	*	*			trans	19.1	125.6	149.2	58.3	0	0	0	0	120.8
89	C	19.7	Very low	21.6	Very low	133 Å²	133	163.7 Å²	163.7	90%	0.899	84%	0.837	S	S	*	*			trans	-49.3	132.5	159.5	-60.2	0	0	0	0	113.4
90	V	26.8	Very low	21.6	Very low	140 Å²	140	169.5 Å²	169.5	85%	0.848	84%	0.84	S	S	*	*			trans	-133.2	137.1	154.5	-174.2	0	0	0	0	108.7
91	N	22.8	Very low	21.8	Very low	155 Å²	155	168.2 Å²	168.2	83%	0.829	84%	0.837	S	S	*	*			trans	-56.8	166.4	-166.2	-97.9	-28.1	0	0	0	117.9
92	P	23	Very low	21.8	Very low	123 Å²	123	163.8 Å²	163.8	80%	0.799	83%	0.832	S	S	*	*			trans	-89.3	115.4	-155.6	34.4	-32.9	0	0	0	113.3
93	G	22.7	Very low	21.9	Very low	69 Å²	69	163.9 Å²	163.9	71%	0.711	83%	0.829	S	S	*	*			trans	-109.2	111.2	166.4	0	0	0	0	0	110.3	K95	G93-K95 PolarHBondContact O-N 2.97Å; G93-K95 VanDerWaalsContact O-N 3.08Å
94	R	19.8	Very low	22.1	Very low	246 Å²	246	158.1 Å²	158.1	93%	0.928	82%	0.821	S	S	*	*			trans	-35.2	107.6	171.7	-65	171.1	176.8	176.8	-2.3	112.7
95	K	21.1	Very low	22.1	Very low	181 Å²	181	150.6 Å²	150.6	79%	0.787	82%	0.821	S	S	*	*			trans	-139.5	118.1	160.5	-77	-168.6	178.6	176.8	0	111	G93 Y97	G93-K95 PolarHBondContact O-N 2.97Å; G93-K95 VanDerWaalsContact O-N 3.08Å; K95-Y97 PolarHBondContact O-N 3.01Å
96	Y	20.3	Very low	22.3	Very low	231 Å²	231	149.8 Å²	149.8	91%	0.906	82%	0.815	S	S	*	*			trans	-50.5	109.6	170	-65.5	-95.9	0	0	0	110.8
97	Y	20	Very low	22.3	Very low	215 Å²	215	153.3 Å²	153.3	84%	0.843	82%	0.819	S	S	*	*			trans	-99.8	103.6	164	-97.4	-86.7	0	0	0	109.4	K95 G99	K95-Y97 PolarHBondContact O-N 3.01Å; Y97-G99 PolarHBondContact O-N 3.19Å
98	K	19.9	Very low	22.2	Very low	208 Å²	208	156.1 Å²	156.1	90%	0.904	82%	0.82	S	S	*	*			trans	-65.9	86.1	156.4	-74.2	-176.7	174.5	-177.6	0	107.7	K100	K98-K100 PolarHBondContact O-N 2.79Å
99	G	19.9	Very low	22.3	Very low	70 Å²	70	158.6 Å²	158.6	72%	0.722	83%	0.825	S	S	*	*			trans	-83.8	101.2	174.1	0	0	0	0	0	110.6	Y97	Y97-G99 PolarHBondContact O-N 3.19Å
100	K	20.8	Very low	22.4	Very low	200 Å²	200	159.3 Å²	159.3	87%	0.87	82%	0.817	S	S	*	*			trans	-60.1	128.7	165.5	-74.2	179.1	172.3	-176.9	0	109.1	K98	K98-K100 PolarHBondContact O-N 2.79Å
101	S	21.7	Very low	22.1	Very low	102 Å²	102	163.3 Å²	163.3	71%	0.713	82%	0.818	S	S	*	*			trans	-78.3	129.4	171.9	51.3	0	0	0	0	110.1	Y103	S101-Y103 PolarHBondContact O-N 3.35Å
102	N	22.3	Very low	22.1	Very low	164 Å²	164	163.7 Å²	163.7	88%	0.877	82%	0.819	S	S	*	*			trans	-79.9	51.9	178.3	-81.6	-15.6	0	0	0	112.5
103	Y	23.6	Very low	22	Very low	200 Å²	200	169 Å²	169	78%	0.784	82%	0.824	S	S	*	*	S	Bend	trans	-108.8	110.3	169.1	-95.6	-91.2	0	0	0	109.4	S101	S101-Y103 PolarHBondContact O-N 3.35Å
104	T	23.9	Very low	21.9	Very low	126 Å²	126	177.3 Å²	177.3	77%	0.773	83%	0.833	S	S	*	*			trans	48.5	89	158	56.2	0	0	0	0	115.9	E106	T104-E106 PolarHBondContact O-N 3.49Å; T104-E106 VanDerWaalsContact O-N 3.13Å
105	G	23	Very low	21.9	Very low	90 Å²	90	173 Å²	173	93%	0.928	83%	0.829	S	S	*	*			trans	-77.8	81.1	172.6	0	0	0	0	0	113.2
106	E	23.9	Very low	22.1	Very low	171 Å²	171	173.4 Å²	173.4	80%	0.799	83%	0.833	S	S	*	*			trans	-105.3	126.5	161.2	-70.5	-173.3	173.4	0	0	110	T104 Y108	T104-E106 PolarHBondContact O-N 3.49Å; T104-E106 VanDerWaalsContact O-N 3.13Å; E106-Y108 PolarHBondContact O-N 3.5Å
107	N	23.8	Very low	22.2	Very low	134 Å²	134	168.9 Å²	168.9	72%	0.717	83%	0.83	S	S	*	*			trans	-87.7	88.5	-156.2	-173	9.4	0	0	0	110.9
108	Y	24	Very low	22.4	Very low	218 Å²	218	164.7 Å²	164.7	86%	0.855	83%	0.832	S	S	*	*			trans	-99.4	65.9	169.9	-82.6	-82.8	0	0	0	110.7	E106	E106-Y108 PolarHBondContact O-N 3.5Å
109	D	24.3	Very low	22.5	Very low	155 Å²	155	158.8 Å²	158.8	83%	0.829	82%	0.822	S	S	*	*			trans	-142.1	20.4	167	-91	-29.7	0	0	0	113.4
110	M	22.3	Very low	22.7	Very low	148 Å²	148	162.6 Å²	162.6	73%	0.729	83%	0.826	S	S	*	*			trans	-106	66.6	171.6	-93.9	-172.4	64	0	0	111.9
111	Y	21.8	Very low	22.8	Very low	224 Å²	224	159.7 Å²	159.7	88%	0.878	83%	0.825	S	S	*	*			trans	-126.8	109.9	146	-88.7	-79.8	0	0	0	109.4	W113	Y111-W113 PolarHBondContact O-N 3.32Å
112	L	22.8	Very low	22.8	Very low	162 Å²	162	164.1 Å²	164.1	85%	0.848	83%	0.831	S	S	*	*			trans	-57.8	120.6	176.9	-74.9	131.5	0	0	0	110.7	R114	L112-R114 PolarHBondContact O-N 3.34Å
113	W	20	Very low	22.8	Very low	236 Å²	236	162.3 Å²	162.3	89%	0.894	82%	0.822	S	S	*	*			trans	-56.1	113.4	161.1	-74.6	81.4	0	0	0	109.7	Y111 N115	Y111-W113 PolarHBondContact O-N 3.32Å; W113-N115 PolarHBondContact O-N 2.83Å
114	R	20.4	Very low	22.8	Very low	243 Å²	243	157.9 Å²	157.9	92%	0.917	82%	0.816	S	S	*	*			trans	-81.4	112.9	160.2	-98.4	-174.5	-177.6	169.9	2.1	108.3	L112 Q116	L112-R114 PolarHBondContact O-N 3.34Å; R114-Q116 PolarHBondContact O-N 2.82Å
115	N	20.5	Very low	22.9	Very low	156 Å²	156	156.4 Å²	156.4	83%	0.834	81%	0.811	S	S	*	*			trans	-53.5	115.3	170.6	-63	-35	0	0	0	111.5	W113	W113-N115 PolarHBondContact O-N 2.83Å
116	Q	23.9	Very low	23.1	Very low	189 Å²	189	157.4 Å²	157.4	88%	0.883	80%	0.799	S	S	*	*			trans	-149.4	112.9	146.4	-108	170.4	18.4	0	0	108.9	R114	R114-Q116 PolarHBondContact O-N 2.82Å
117	T	22.6	Very low	23.1	Very low	135 Å²	135	153.7 Å²	153.7	83%	0.828	79%	0.785	S	S	*	*			trans	-36.7	122.6	167.2	43.8	0	0	0	0	114.3
118	S	24.9	Very low	23.3	Very low	127 Å²	127	155.2 Å²	155.2	89%	0.888	79%	0.787	S	S	*	*			trans	-171.4	142.5	135.8	-80.8	0	0	0	0	109.7
119	A	22.6	Very low	23.6	Very low	84 Å²	84	150.7 Å²	150.7	69%	0.694	78%	0.778	S	S	*	*			trans	-66.6	159.5	-164	0	0	0	0	0	115.4
120	D	23.1	Very low	23.7	Very low	150 Å²	150	148.4 Å²	148.4	80%	0.802	77%	0.765	S	S	*	*			trans	64.3	69.7	149.9	-58.5	-26.5	0	0	0	119.2
121	T	22.6	Very low	24.1	Very low	140 Å²	140	144.8 Å²	144.8	86%	0.859	75%	0.749	S	S	*	*			trans	-130.7	86.4	137.4	41.2	0	0	0	0	109.1	D123	T121-D123 VanDerWaalsContact C-N 3.32Å; T121-D123 PolarHBondContact O-N 3.27Å
122	K	22	Very low	24.4	Very low	194 Å²	194	139.1 Å²	139.1	84%	0.843	73%	0.733	S	S	*	*			trans	-59.6	100.3	160.4	-102.9	177.9	175.3	172.5	0	107.1	T124	K122-T124 VanDerWaalsContact C-N 3.32Å; K122-T124 HydrophobicContact CB-CG2 4.43Å; K122-T124 PolarHBondContact O-N 3.47Å
123	D	22.9	Very low	24.7	Very low	127 Å²	127	135.3 Å²	135.3	68%	0.679	72%	0.717	S	S	*	*			trans	-65.2	91.6	169.3	-169.9	-8.6	0	0	0	108.5	T121 S125	T121-D123 VanDerWaalsContact C-N 3.32Å; T121-D123 PolarHBondContact O-N 3.27Å; D123-S125 PolarHBondContact O-N 3.34Å; D123-S125 VanDerWaalsContact OD1-CB 3.23Å; D123-S125 WeakPolarHBondContact OD1-CB 2.88Å; D123-S125 PolarHBondContact OD1-N 3.25Å; D123-S125 PolarHBondContact OD1-OG 2.94Å
124	T	23.5	Very low	25.1	Very low	107 Å²	107	129.9 Å²	129.9	66%	0.656	70%	0.7	S	S	*	*			trans	-82.6	26	178.8	52.5	0	0	0	0	112.6	K122 T126	K122-T124 VanDerWaalsContact C-N 3.32Å; K122-T124 HydrophobicContact CB-CG2 4.43Å; K122-T124 PolarHBondContact O-N 3.47Å; T124-T126 PolarHBondContact O-N 3.17Å
125	S	26	Very low	25.3	Very low	95 Å²	95	126.3 Å²	126.3	66%	0.664	69%	0.686	S	S	*	*			trans	-74.6	-6.2	179.7	61.1	0	0	0	0	114.4	D123	D123-S125 PolarHBondContact O-N 3.34Å; D123-S125 VanDerWaalsContact OD1-CB 3.23Å; D123-S125 WeakPolarHBondContact OD1-CB 2.88Å; D123-S125 PolarHBondContact OD1-N 3.25Å; D123-S125 PolarHBondContact OD1-OG 2.94Å
126	T	26.2	Very low	25.6	Very low	111 Å²	111	124.6 Å²	124.6	68%	0.681	67%	0.673	S	S	*	*			trans	-103.7	68.5	173.6	59.9	0	0	0	0	111.2	T124 E128	T124-T126 PolarHBondContact O-N 3.17Å; T126-E128 PolarHBondContact O-N 2.82Å
127	N	25.4	Very low	25.7	Very low	93 Å²	93	119.4 Å²	119.4	50%	0.497	66%	0.662	S	S	.	*			trans	-81.5	72.3	176.3	-122.9	-18.1	0	0	0	110.1	N129 L130	N127-N129 PolarHBondContact O-N 3.12Å; N127-L130 HydrophobicContact CB-CB 4.39Å; N127-L130 HydrophobicContact CB-CD1 3.97Å; N127-L130 WeakPolarHBondContact ND2-CD1 3.5Å; N127-L130 PolarHBondContact O-N 2.91Å
128	E	26.8	Very low	25.7	Very low	165 Å²	165	118.2 Å²	118.2	77%	0.771	65%	0.65	S	S	*	*	H	α-helix	trans	-55.8	-18.8	173.6	-71.8	-173.8	150.9	0	0	112.6	T126	T126-E128 PolarHBondContact O-N 2.82Å
129	N	29.8	Very low	25.5	Very low	123 Å²	123	119.1 Å²	119.1	66%	0.658	64%	0.64	S	S	*	*	H	α-helix	trans	-80.9	-20	175.6	-76.2	-19.1	0	0	0	114.5	N127 T133	N127-N129 PolarHBondContact O-N 3.12Å; N129-T133 PolarHBondContact O-OG1 2.78Å
130	L	27.8	Very low	25.5	Very low	108 Å²	108	120.9 Å²	120.9	57%	0.565	65%	0.645	S	S	*	*	H	α-helix	trans	-79.7	-24.1	174.9	-101.2	133.7	0	0	0	112.4	N127 L132 T133 F134	N127-L130 HydrophobicContact CB-CB 4.39Å; N127-L130 HydrophobicContact CB-CD1 3.97Å; N127-L130 WeakPolarHBondContact ND2-CD1 3.5Å; N127-L130 PolarHBondContact O-N 2.91Å; L130-L132 VanDerWaalsContact C-N 3.27Å; L130-L132 PolarHBondContact O-N 3.29Å; L130-T133 PolarHBondContact O-N 3.36Å; L130-F134 WeakPolarHBondContact O-CB 3.43Å; L130-F134 PolarHBondContact O-N 2.87Å
131	D	29.4	Very low	25.3	Very low	71 Å²	71	121.9 Å²	121.9	38%	0.38	65%	0.65	S	S	.	*	H	α-helix	trans	-70.4	-25.2	175.1	-166.6	33.1	0	0	0	111.8	R135	D131-R135 WeakPolarHBondContact O-CB 3.45Å; D131-R135 WeakPolarHBondContact O-CG 3.49Å; D131-R135 PolarHBondContact O-N 2.86Å; D131-R135 IonicContact OD1-NE 2.72Å; D131-R135 IonicContact OD2-CZ 3.75Å; D131-R135 VanDerWaalsContact OD2-CZ 3.27Å; D131-R135 IonicContact OD2-NE 2.7Å; D131-R135 PolarHBondContact OD2-NE 3.35Å; D131-R135 VanDerWaalsContact OD2-NE 3.16Å; D131-R135 IonicContact OD2-NH2 3.53Å; D131-R135 PolarHBondContact OD2-NH2 3.04Å
132	L	29.7	Very low	25.2	Very low	105 Å²	105	126.6 Å²	126.6	55%	0.55	65%	0.651	S	S	.	*	H	α-helix	trans	-73.4	-42.6	175	-113.1	134.4	0	0	0	112	L130 R135 Q136	L130-L132 VanDerWaalsContact C-N 3.27Å; L130-L132 PolarHBondContact O-N 3.29Å; L132-R135 PolarHBondContact O-N 2.74Å; L132-Q136 WeakPolarHBondContact O-CG 3.14Å; L132-Q136 PolarHBondContact O-N 2.88Å
133	T	28.7	Very low	25.1	Very low	83 Å²	83	121.6 Å²	121.6	51%	0.509	64%	0.64	S	S	.	*	H	α-helix	trans	-69.9	-34.3	174.7	-3.3	0	0	0	0	111.8	N129 L130 Q136 A137	N129-T133 PolarHBondContact O-OG1 2.78Å; L130-T133 PolarHBondContact O-N 3.36Å; T133-Q136 PolarHBondContact O-N 2.88Å; T133-A137 WeakPolarHBondContact O-CB 3.41Å; T133-A137 PolarHBondContact O-N 2.97Å
134	F	27.9	Very low	25.1	Very low	121 Å²	121	121.1 Å²	121.1	53%	0.531	64%	0.644	S	S	.	*	H	α-helix	trans	-67.9	-37.3	174.8	-171.6	-104.5	0	0	0	112.4	L130 A137 L138	L130-F134 WeakPolarHBondContact O-CB 3.43Å; L130-F134 PolarHBondContact O-N 2.87Å; F134-A137 PolarHBondContact O-N 3Å; F134-L138 HydrophobicContact CD1-CD1 3.94Å; F134-L138 HydrophobicContact CE1-CD1 3.49Å; F134-L138 VanDerWaalsContact CE1-CD1 3.49Å; F134-L138 HydrophobicContact CE1-CG 4.44Å; F134-L138 HydrophobicContact CZ-CD1 3.92Å; F134-L138 PolarHBondContact O-N 2.82Å
135	R	24.2	Very low	25	Very low	169 Å²	169	124.6 Å²	124.6	64%	0.638	65%	0.653	S	S	*	*	H	α-helix	trans	-68.9	-32.4	172.1	-74	175.8	-167.7	-164.2	6.2	113	D131 L132	D131-R135 WeakPolarHBondContact O-CB 3.45Å; D131-R135 WeakPolarHBondContact O-CG 3.49Å; D131-R135 PolarHBondContact O-N 2.86Å; D131-R135 IonicContact OD1-NE 2.72Å; D131-R135 IonicContact OD2-CZ 3.75Å; D131-R135 VanDerWaalsContact OD2-CZ 3.27Å; D131-R135 IonicContact OD2-NE 2.7Å; D131-R135 PolarHBondContact OD2-NE 3.35Å; D131-R135 VanDerWaalsContact OD2-NE 3.16Å; D131-R135 IonicContact OD2-NH2 3.53Å; D131-R135 PolarHBondContact OD2-NH2 3.04Å; L132-R135 PolarHBondContact O-N 2.74Å
136	Q	27.2	Very low	24.9	Very low	120 Å²	120	125.1 Å²	125.1	56%	0.561	66%	0.656	S	S	*	*	H	α-helix	trans	-74.6	-31.2	173.5	-73.4	175.8	-18.2	0	0	112.4	L132 T133 L138 E139	L132-Q136 WeakPolarHBondContact O-CG 3.14Å; L132-Q136 PolarHBondContact O-N 2.88Å; T133-Q136 PolarHBondContact O-N 2.88Å; Q136-L138 VanDerWaalsContact C-N 3.34Å; Q136-E139 PolarHBondContact O-N 2.93Å
137	A	26.3	Very low	24.7	Very low	79 Å²	79	128.9 Å²	128.9	65%	0.653	66%	0.663	S	S	*	*	H	α-helix	trans	-77.7	-17.2	177.4	0	0	0	0	0	113.9	T133 F134	T133-A137 WeakPolarHBondContact O-CB 3.41Å; T133-A137 PolarHBondContact O-N 2.97Å; F134-A137 PolarHBondContact O-N 3Å
138	L	22.4	Very low	24.8	Very low	110 Å²	110	134.5 Å²	134.5	58%	0.576	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	0.3	172.8	-75.4	171.8	0	0	0	113.3	F134 Q136 P140	F134-L138 HydrophobicContact CD1-CD1 3.94Å; F134-L138 HydrophobicContact CE1-CD1 3.49Å; F134-L138 VanDerWaalsContact CE1-CD1 3.49Å; F134-L138 HydrophobicContact CE1-CG 4.44Å; F134-L138 HydrophobicContact CZ-CD1 3.92Å; F134-L138 PolarHBondContact O-N 2.82Å; Q136-L138 VanDerWaalsContact C-N 3.34Å; L138-P140 VanDerWaalsContact O-CD 3.27Å; L138-P140 WeakPolarHBondContact O-CD 3.36Å
139	E	20.7	Very low	24.7	Very low	146 Å²	146	131 Å²	131	68%	0.682	68%	0.682	S	S	*	*	S	Bend	trans	-63.6	117.3	161.1	-73.6	-172.3	160.4	0	0	107.1	Q136 L141	Q136-E139 PolarHBondContact O-N 2.93Å; E139-L141 PolarHBondContact O-N 3.19Å
140	P	22.3	Very low	24.4	Very low	121 Å²	121	132.4 Å²	132.4	79%	0.786	69%	0.688	S	S	*	*			trans	-50.6	121.4	179.2	-23.6	32.2	0	0	0	108.5	L138 R142	L138-P140 VanDerWaalsContact O-CD 3.27Å; L138-P140 WeakPolarHBondContact O-CD 3.36Å; P140-R142 PolarHBondContact O-N 2.86Å
141	L	20	Very low	24.4	Very low	172 Å²	172	132.7 Å²	132.7	90%	0.901	71%	0.706	S	S	*	*			trans	-17.8	102.3	155.5	-72.3	157.6	0	0	0	109.6	E139 C143	E139-L141 PolarHBondContact O-N 3.19Å; L141-C143 PolarHBondContact O-N 2.94Å
142	R	19.1	Very low	24.2	Very low	238 Å²	238	132.1 Å²	132.1	90%	0.898	71%	0.711	S	S	*	*			trans	-39.6	138.7	153.4	-93.4	178.2	172.8	173	-1.5	108	P140	P140-R142 PolarHBondContact O-N 2.86Å
143	C	20.3	Very low	24.1	Very low	89 Å²	89	132.2 Å²	132.2	60%	0.601	72%	0.718	S	S	*	*			trans	-39.6	135.9	170.8	-65.2	0	0	0	0	111.5	L141 E145	L141-C143 PolarHBondContact O-N 2.94Å; C143-E145 PolarHBondContact O-N 3.3Å
144	P	22.8	Very low	24	Very low	118 Å²	118	137.4 Å²	137.4	77%	0.766	74%	0.737	S	S	*	*			trans	-59	130.9	-179.8	21.2	-29.5	0	0	0	111	S146	P144-S146 VanDerWaalsContact C-N 3.3Å; P144-S146 PolarHBondContact O-N 2.77Å
145	E	21.8	Very low	24	Very low	180 Å²	180	139.5 Å²	139.5	84%	0.841	75%	0.754	S	S	*	*			trans	-68	75.2	176.3	-62.9	-173.7	152.3	0	0	111.5	C143 K147	C143-E145 PolarHBondContact O-N 3.3Å; E145-K147 PolarHBondContact O-N 2.8Å
146	S	23.4	Very low	24	Very low	106 Å²	106	135 Å²	135	74%	0.741	75%	0.748	S	S	*	*			trans	-93.9	72.5	165.7	68.5	0	0	0	0	110.5	P144 K148	P144-S146 VanDerWaalsContact C-N 3.3Å; P144-S146 PolarHBondContact O-N 2.77Å; S146-K148 PolarHBondContact O-N 3.02Å
147	K	23.4	Very low	23.8	Very low	189 Å²	189	136.5 Å²	136.5	82%	0.822	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	24.3	-173.4	-119.1	-177.8	-173.6	176.8	0	116.7	E145	E145-K147 PolarHBondContact O-N 2.8Å
148	K	26.2	Very low	23.7	Very low	211 Å²	211	137.4 Å²	137.4	92%	0.917	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.9	4.4	-169	-86.3	-171.3	177	179.1	0	119.5	S146	S146-K148 PolarHBondContact O-N 3.02Å
149	A	25.5	Very low	23.7	Very low	91 Å²	91	140.4 Å²	140.4	75%	0.752	78%	0.778	S	S	*	*	S	Bend	trans	-114.4	-11	-174	0	0	0	0	0	117.5
150	I	23	Very low	23.7	Very low	153 Å²	153	139 Å²	139	79%	0.785	78%	0.779	S	S	*	*			trans	-140.1	108.4	-176.6	-48.2	178.4	0	0	0	110.6	A152	I150-A152 HydrophobicContact CG2-CB 4.09Å; I150-A152 PolarHBondContact O-N 3.01Å
151	A	28.1	Very low	23.7	Very low	114 Å²	114	138.7 Å²	138.7	94%	0.942	78%	0.779	S	S	*	*			trans	-76.1	61	174.4	0	0	0	0	0	111.3
152	A	24.5	Very low	23.7	Very low	59 Å²	59	136.5 Å²	136.5	49%	0.488	77%	0.767	S	S	.	*			trans	-96.9	136	175	0	0	0	0	0	111	I150	I150-A152 HydrophobicContact CG2-CB 4.09Å; I150-A152 PolarHBondContact O-N 3.01Å
153	P	28.4	Very low	23.7	Very low	107 Å²	107	129.6 Å²	129.6	70%	0.695	75%	0.752	S	S	*	*			trans	-67.7	155.9	-175.9	24.9	-31.7	0	0	0	114.2	D155 S156	P153-D155 VanDerWaalsContact C-N 3.26Å; P153-D155 PolarHBondContact O-N 2.95Å; P153-S156 PolarHBondContact O-OG 2.7Å
154	E	27.3	Very low	23.7	Very low	193 Å²	193	135.5 Å²	135.5	90%	0.902	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	-12.5	-156.6	-68.8	-179	143.2	0	0	117.7
155	D	26.6	Very low	23.6	Very low	165 Å²	165	134.4 Å²	134.4	88%	0.882	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	8.7	-172.3	-67.7	-30.4	0	0	0	115	P153	P153-D155 VanDerWaalsContact C-N 3.26Å; P153-D155 PolarHBondContact O-N 2.95Å
156	S	25.6	Very low	23.5	Very low	74 Å²	74	131.2 Å²	131.2	52%	0.517	74%	0.738	S	S	.	*			trans	-106.8	8.4	-167.6	50.6	0	0	0	0	116.7	P153	P153-S156 PolarHBondContact O-OG 2.7Å
157	L	23	Very low	23.3	Very low	151 Å²	151	129.4 Å²	129.4	79%	0.791	74%	0.736	S	S	*	*			trans	-99.4	15.9	-172.8	-104.1	101.7	0	0	0	117.2
158	A	23	Very low	23.3	Very low	99 Å²	99	125.3 Å²	125.3	82%	0.818	73%	0.727	S	S	*	*	S	Bend	trans	-84.9	-2.5	-177.6	0	0	0	0	0	116.3
159	E	23.1	Very low	23.1	Very low	173 Å²	173	123 Å²	123	81%	0.808	71%	0.714	S	S	*	*			trans	-121.8	3.3	-163.4	-67	-166.8	159.6	0	0	117.9	C161	E159-C161 PolarHBondContact O-N 3Å
160	T	21.3	Very low	23	Very low	115 Å²	115	124.3 Å²	124.3	71%	0.706	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	60	-173.3	51.3	0	0	0	0	114
161	C	21	Very low	23	Very low	115 Å²	115	119 Å²	119	78%	0.777	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.7	12.7	164.6	-112	0	0	0	0	115.6	E159	E159-C161 PolarHBondContact O-N 3Å
162	I	20.5	Very low	22.8	Very low	127 Å²	127	119.7 Å²	119.7	65%	0.651	68%	0.677	S	S	*	*	S	Bend	trans	-96.1	113.1	172.2	-58.4	175.2	0	0	0	107.5	Y164	I162-Y164 PolarHBondContact O-N 2.78Å; I162-Y164 VanDerWaalsContact O-N 3.1Å
163	P	19.2	Very low	22.9	Very low	92 Å²	92	125.6 Å²	125.6	60%	0.597	69%	0.688	S	S	*	*			trans	-57.9	124.5	169	25.1	-29.9	0	0	0	106.5	V165	P163-V165 PolarHBondContact O-N 2.01Å
164	Y	19.9	Very low	22.8	Very low	214 Å²	214	125.4 Å²	125.4	84%	0.839	69%	0.685	S	S	*	*	S	Bend	trans	-40.5	59.2	-171.5	-138.5	-101.7	0	0	0	116.3	I162 F166	I162-Y164 PolarHBondContact O-N 2.78Å; I162-Y164 VanDerWaalsContact O-N 3.1Å; Y164-F166 VanDerWaalsContact C-N 3.34Å; Y164-F166 PolarHBondContact O-N 2.89Å
165	V	21	Very low	22.9	Very low	95 Å²	95	119.6 Å²	119.6	58%	0.576	66%	0.66	S	S	*	*	S	Bend	trans	-91.9	83.3	160.6	-174.7	0	0	0	0	104.6	P163 G167	P163-V165 PolarHBondContact O-N 2.01Å; V165-G167 PolarHBondContact O-N 2.83Å
166	F	20.2	Very low	23	Very low	113 Å²	113	117 Å²	117	50%	0.496	65%	0.653	S	S	.	*			trans	21.2	79.1	160.1	-60.9	-84.7	0	0	0	113.9	Y164 T168	Y164-F166 VanDerWaalsContact C-N 3.34Å; Y164-F166 PolarHBondContact O-N 2.89Å; F166-T168 PolarHBondContact O-N 3.5Å
167	G	19.4	Very low	23.3	Very low	67 Å²	67	118.7 Å²	118.7	69%	0.691	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	-2.6	-178.4	0	0	0	0	0	115.2	V165	V165-G167 PolarHBondContact O-N 2.83Å
168	T	22.6	Very low	23.7	Very low	104 Å²	104	113.8 Å²	113.8	64%	0.638	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-8.8	-176.4	47.4	0	0	0	0	115.6	F166	F166-T168 PolarHBondContact O-N 3.5Å
169	Y	22.3	Very low	24.1	Very low	162 Å²	162	113.9 Å²	113.9	64%	0.635	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.2	-18.9	-175.1	-86.7	-84.4	0	0	0	117.4
170	V	23.2	Very low	24.5	Very low	119 Å²	119	109.3 Å²	109.3	72%	0.721	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-29.4	177.6	-170.9	0	0	0	0	111.6	F172 T174	V170-F172 VanDerWaalsContact C-N 3.34Å; V170-F172 PolarHBondContact O-N 2.85Å; V170-T174 PolarHBondContact O-OG1 3.31Å
171	G	22.3	Very low	24.9	Very low	42 Å²	42	106.4 Å²	106.4	43%	0.433	62%	0.618	S	S	.	*	H	α-helix	trans	-69.8	-24.3	178.3	0	0	0	0	0	114.7	Y173 N175	G171-Y173 PolarHBondContact O-N 2.84Å; G171-N175 PolarHBondContact O-N 3.39Å
172	F	24.7	Very low	25.6	Very low	128 Å²	128	106 Å²	106	56%	0.561	62%	0.615	S	S	*	*	H	α-helix	trans	-73.4	-28.8	-172.2	-146.7	-90.6	0	0	0	113.8	V170 N178	V170-F172 VanDerWaalsContact C-N 3.34Å; V170-F172 PolarHBondContact O-N 2.85Å; F172-N178 VanDerWaalsContact CE1-ND2 3.29Å; F172-N178 WeakPolarHBondContact CE1-ND2 3.45Å; F172-N178 PolarHBondContact O-ND2 3.46Å
173	Y	26.3	Very low	26.3	Very low	183 Å²	183	110.2 Å²	110.2	72%	0.718	62%	0.622	S	S	*	*	H	α-helix	trans	-95.8	-14.8	-177.6	-70.7	-78.6	0	0	0	114.2	G171	G171-Y173 PolarHBondContact O-N 2.84Å
174	T	27.1	Very low	26.8	Very low	103 Å²	103	107.6 Å²	107.6	63%	0.632	61%	0.606	S	S	*	*	H	α-helix	trans	-97.7	-9.6	178.3	50.5	0	0	0	0	112.6	V170 P176	V170-T174 PolarHBondContact O-OG1 3.31Å; T174-P176 WeakPolarHBondContact O-CD 3.43Å
175	N	28.3	Very low	27.5	Very low	71 Å²	71	99.6 Å²	99.6	38%	0.38	59%	0.589	S	S	.	*			trans	-74.7	108.5	179.6	-164.6	-2	0	0	0	110.8	G171 T177 N178	G171-N175 PolarHBondContact O-N 3.39Å; N175-T177 PolarHBondContact ND2-OG1 3.25Å; N175-T177 PolarHBondContact O-N 3.17Å; N175-T177 VanDerWaalsContact O-N 3.1Å; N175-T177 PolarHBondContact OD1-N 3.26Å; N175-T177 PolarHBondContact OD1-OG1 3.43Å; N175-N178 PolarHBondContact O-N 2.83Å
176	P	28.5	Very low	28.2	Very low	111 Å²	111	99.9 Å²	99.9	72%	0.721	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-17.8	-175.6	-16.3	31.1	0	0	0	112.9	T174	T174-P176 WeakPolarHBondContact O-CD 3.43Å
177	T	33	Very low	28.8	Very low	109 Å²	109	99.4 Å²	99.4	67%	0.669	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-0.5	-175.7	54.6	0	0	0	0	114.1	N175 A179	N175-T177 PolarHBondContact ND2-OG1 3.25Å; N175-T177 PolarHBondContact O-N 3.17Å; N175-T177 VanDerWaalsContact O-N 3.1Å; N175-T177 PolarHBondContact OD1-N 3.26Å; N175-T177 PolarHBondContact OD1-OG1 3.43Å; T177-A179 PolarHBondContact O-N 3Å
178	N	30.4	Very low	29.4	Very low	48 Å²	48	103.6 Å²	103.6	26%	0.257	59%	0.594	S	S	.	*			trans	-75.3	69.8	172.1	-100.4	-14.4	0	0	0	110.6	F172 N175 G180 C181 S184	F172-N178 VanDerWaalsContact CE1-ND2 3.29Å; F172-N178 WeakPolarHBondContact CE1-ND2 3.45Å; F172-N178 PolarHBondContact O-ND2 3.46Å; N175-N178 PolarHBondContact O-N 2.83Å; N178-G180 PolarHBondContact O-N 3.01Å; N178-C181 PolarHBondContact O-N 3.41Å; N178-S184 PolarHBondContact O-OG 3.48Å
179	A	31.6	Very low	29.9	Very low	100 Å²	100	103.3 Å²	103.3	83%	0.826	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	1.8	-179	0	0	0	0	0	114.3	T177	T177-A179 PolarHBondContact O-N 3Å
180	G	32.6	Very low	30.5	Very low	78 Å²	78	99.1 Å²	99.1	80%	0.804	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	-2.2	177.9	0	0	0	0	0	115.2	N178	N178-G180 PolarHBondContact O-N 3.01Å
181	C	28.7	Very low	30.9	Very low	54 Å²	54	103 Å²	103	37%	0.365	59%	0.592	S	S	.	*			trans	-106.1	120.4	180	-138.5	0	0	0	0	109.4	N178 W183 S184	N178-C181 PolarHBondContact O-N 3.41Å; C181-W183 PolarHBondContact O-N 3.06Å; C181-S184 PolarHBondContact O-N 2.87Å; C181-S184 PolarHBondContact O-OG 3.32Å
182	P	36.6	Very low	31.1	Very low	107 Å²	107	102.7 Å²	102.7	70%	0.695	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	0.2	-178.2	20.4	-27.3	0	0	0	114.1
183	W	35.3	Very low	31.4	Very low	214 Å²	214	101.5 Å²	101.5	81%	0.811	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.1	10.6	-176.5	-58.7	27.7	0	0	0	110.8	C181	C181-W183 PolarHBondContact O-N 3.06Å
184	S	28.8	Very low	31.6	Very low	37 Å²	37	100 Å²	100	26%	0.259	59%	0.587	S	S	.	*	S	Bend	trans	-101.5	154.8	167.3	70.4	0	0	0	0	109.5	N178 C181	N178-S184 PolarHBondContact O-OG 3.48Å; C181-S184 PolarHBondContact O-N 2.87Å; C181-S184 PolarHBondContact O-OG 3.32Å
185	G	34.4	Very low	31.8	Very low	47 Å²	47	103 Å²	103	49%	0.485	60%	0.599	S	S	.	*	S	Bend	trans	84.2	-179.4	-178.1	0	0	0	0	0	113.9	D187 Y188	G185-D187 PolarHBondContact O-N 3.04Å; G185-Y188 WeakPolarHBondContact O-CB 3.45Å; G185-Y188 PolarHBondContact O-N 3.49Å
186	S	35.3	Very low	31.8	Very low	100 Å²	100	103.9 Å²	103.9	70%	0.699	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45	-25.3	-164.6	46.1	0	0	0	0	116.6	Y188 V189 A190	S186-Y188 PolarHBondContact O-N 3.42Å; S186-V189 WeakPolarHBondContact O-CB 3.49Å; S186-V189 PolarHBondContact O-N 2.71Å; S186-A190 PolarHBondContact O-N 2.89Å
187	D	34.2	Very low	31.7	Very low	103 Å²	103	99.3 Å²	99.3	55%	0.551	57%	0.574	S	S	*	*	H	α-helix	trans	-62.3	-27.8	172.8	-100.4	2.3	0	0	0	113.9	G185 V189 R191	G185-D187 PolarHBondContact O-N 3.04Å; D187-V189 VanDerWaalsContact C-N 3.31Å; D187-R191 PolarHBondContact O-N 2.95Å
188	Y	32.1	Very low	31.5	Very low	155 Å²	155	97.5 Å²	97.5	61%	0.608	57%	0.57	S	S	*	*	H	α-helix	trans	-66.3	-35.2	172	-165.5	-89.6	0	0	0	111.5	G185 S186	G185-Y188 WeakPolarHBondContact O-CB 3.45Å; G185-Y188 PolarHBondContact O-N 3.49Å; S186-Y188 PolarHBondContact O-N 3.42Å
189	V	32.4	Very low	31.3	Very low	98 Å²	98	101.1 Å²	101.1	59%	0.594	59%	0.588	S	S	*	*	H	α-helix	trans	-75.7	-40.1	178.8	-176.3	0	0	0	0	110.6	S186 D187 R191 C192	S186-V189 WeakPolarHBondContact O-CB 3.49Å; S186-V189 PolarHBondContact O-N 2.71Å; D187-V189 VanDerWaalsContact C-N 3.31Å; V189-R191 VanDerWaalsContact C-N 3.26Å; V189-R191 PolarHBondContact O-N 2.76Å; V189-C192 PolarHBondContact O-N 3.24Å
190	A	34.5	Very low	31.1	Very low	74 Å²	74	97.9 Å²	97.9	61%	0.612	56%	0.558	S	S	*	*	H	α-helix	trans	-68.3	-20.6	-177.1	0	0	0	0	0	114.3	S186	S186-A190 PolarHBondContact O-N 2.89Å
191	R	32.1	Very low	30.9	Very low	200 Å²	200	100.8 Å²	100.8	76%	0.755	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	-5	179.9	-74.4	-179.6	166.5	178.4	-1	114.9	D187 V189 N193	D187-R191 PolarHBondContact O-N 2.95Å; V189-R191 VanDerWaalsContact C-N 3.26Å; V189-R191 PolarHBondContact O-N 2.76Å; R191-N193 PolarHBondContact O-N 3.5Å
192	C	26.8	Very low	30.8	Very low	36 Å²	36	101.3 Å²	101.3	24%	0.243	57%	0.57	C	S	.	*			trans	-82.3	93.8	170.5	-114.7	0	0	0	0	108.4	V189 C197 F204	V189-C192 PolarHBondContact O-N 3.24Å; C192-C197 HydrophobicContact CB-CB 4.43Å; C192-C197 WeakPolarHBondContact CB-SG 3.16Å; C192-C197 WeakPolarHBondContact SG-CB 3.43Å; C192-C197 CovalentContact SG-SG 2.09Å; C192-C197 PolarHBondContact SG-SG 2.99Å; C192-F204 HydrophobicContact CB-CD1 4.07Å; C192-F204 HydrophobicContact CB-CE1 4.18Å
193	N	29.8	Very low	30.4	Very low	104 Å²	104	104.1 Å²	104.1	56%	0.556	57%	0.571	S	S	*	*			trans	-80.9	158.3	167.2	-64	4.4	0	0	0	109.8	R191 D195 L196	R191-N193 PolarHBondContact O-N 3.5Å; N193-D195 PolarHBondContact O-N 2.85Å; N193-L196 PolarHBondContact O-N 3.36Å
194	D	30.6	Very low	30	Very low	151 Å²	151	100.8 Å²	100.8	81%	0.807	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	-23.5	-178.9	-68.8	-33.9	0	0	0	114.3
195	D	31.6	Very low	29.9	Very low	166 Å²	166	99.8 Å²	99.8	89%	0.888	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-15.8	178	-72.7	-33.1	0	0	0	114.3	N193	N193-D195 PolarHBondContact O-N 2.85Å
196	L	29.1	Very low	29.6	Very low	90 Å²	90	100 Å²	100	47%	0.471	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101	-27.2	-172.7	-96.3	135.1	0	0	0	114	N193 T207	N193-L196 PolarHBondContact O-N 3.36Å; L196-T207 VanDerWaalsContact O-CG2 3.29Å; L196-T207 WeakPolarHBondContact O-CG2 3.33Å; L196-T207 PolarHBondContact O-OG1 3.35Å
197	C	26.4	Very low	29.5	Very low	14 Å²	14	98.6 Å²	98.6	10%	0.095	54%	0.543	C	S	.	.			trans	-121.3	105.4	-162.2	-51	0	0	0	0	108.8	C192 I199 F204	C192-C197 HydrophobicContact CB-CB 4.43Å; C192-C197 WeakPolarHBondContact CB-SG 3.16Å; C192-C197 WeakPolarHBondContact SG-CB 3.43Å; C192-C197 CovalentContact SG-SG 2.09Å; C192-C197 PolarHBondContact SG-SG 2.99Å; C197-I199 PolarHBondContact O-N 3.26Å; C197-F204 HydrophobicContact CB-CD1 4.08Å
198	A	27.7	Very low	29.1	Very low	72 Å²	72	98.2 Å²	98.2	60%	0.595	55%	0.547	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	112.8	173.4	0	0	0	0	0	108.6	V200	A198-V200 PolarHBondContact O-N 2.02Å
199	I	26	Very low	28.9	Very low	123 Å²	123	100 Å²	100	63%	0.631	56%	0.558	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-68.5	104.6	179	-57.3	171.6	0	0	0	108.1	C197	C197-I199 PolarHBondContact O-N 3.26Å
200	V	27.5	Very low	28.7	Very low	32 Å²	32	98.7 Å²	98.7	19%	0.194	55%	0.551	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.9	111.7	168.2	-173.8	0	0	0	0	106.7	A198 G202 K203	A198-V200 PolarHBondContact O-N 2.02Å; V200-G202 PolarHBondContact O-N 3.2Å; V200-K203 PolarHBondContact O-N 2.99Å; V200-K203 VanDerWaalsContact O-N 3.12Å; V200-K203 VanDerWaalsContact O-O 3.08Å
201	N	29.2	Very low	28.5	Very low	139 Å²	139	102.5 Å²	102.5	74%	0.743	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.8	44.6	177.7	-66.4	-19.7	0	0	0	115.7	K203	N201-K203 PolarHBondContact O-N 2.97Å
202	G	27.2	Very low	28.3	Very low	66 Å²	66	101.2 Å²	101.2	68%	0.68	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	64.3	12.5	177.9	0	0	0	0	0	114.1	V200	V200-G202 PolarHBondContact O-N 3.2Å
203	K	26.6	Very low	28.6	Very low	166 Å²	166	101 Å²	101	72%	0.722	57%	0.573	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118	135.8	176.4	-70.2	-175.4	176.5	-177	0	109.4	V200 N201 G205	V200-K203 PolarHBondContact O-N 2.99Å; V200-K203 VanDerWaalsContact O-N 3.12Å; V200-K203 VanDerWaalsContact O-O 3.08Å; N201-K203 PolarHBondContact O-N 2.97Å; K203-G205 PolarHBondContact O-N 2.75Å
204	F	27	Very low	28.5	Very low	143 Å²	143	103.5 Å²	103.5	63%	0.627	59%	0.585	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.9	111.8	-176.9	-66.7	-91.1	0	0	0	110.2	C192 C197	C192-F204 HydrophobicContact CB-CD1 4.07Å; C192-F204 HydrophobicContact CB-CE1 4.18Å; C197-F204 HydrophobicContact CB-CD1 4.08Å
205	G	28.1	Very low	28.6	Very low	16 Å²	16	98.7 Å²	98.7	17%	0.165	56%	0.563	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.9	126.2	173.7	0	0	0	0	0	111.4	K203	K203-G205 PolarHBondContact O-N 2.75Å
206	A	28	Very low	28.6	Very low	53 Å²	53	101 Å²	101	44%	0.438	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-73.7	123.6	-170.1	0	0	0	0	0	113.8
207	T	32.1	Very low	28.7	Very low	69 Å²	69	101.8 Å²	101.8	42%	0.423	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-83	131.3	154.6	53.7	0	0	0	0	109.5	L196 K209	L196-T207 VanDerWaalsContact O-CG2 3.29Å; L196-T207 WeakPolarHBondContact O-CG2 3.33Å; L196-T207 PolarHBondContact O-OG1 3.35Å; T207-K209 PolarHBondContact O-N 3.46Å
208	C	26.7	Very low	28.9	Very low	96 Å²	96	104.9 Å²	104.9	65%	0.649	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-73	117.7	175.9	-65.7	0	0	0	0	110.9
209	K	26.5	Very low	29	Very low	193 Å²	193	104 Å²	104	84%	0.839	57%	0.572	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-77.2	128.9	168.7	-155.8	178.3	-173	-179.7	0	109.1	T207	T207-K209 PolarHBondContact O-N 3.46Å
210	T	28.8	Very low	29.3	Very low	70 Å²	70	100.1 Å²	100.1	43%	0.429	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.5	160.8	168.3	72	0	0	0	0	109.5	E212 G213	T210-E212 PolarHBondContact O-N 3.22Å; T210-G213 PolarHBondContact N-O 3.46Å; T210-G213 PolarHBondContact O-N 3.01Å; T210-G213 PolarHBondContact OG1-N 3.14Å; T210-G213 PolarHBondContact OG1-O 3.2Å
211	T	30.1	Very low	29.6	Very low	154 Å²	154	104.1 Å²	104.1	95%	0.945	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-19.5	-178.9	39.5	0	0	0	0	113.7
212	E	28.9	Very low	29.8	Very low	172 Å²	172	100.5 Å²	100.5	80%	0.804	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114	9.3	-179	-63.2	-173.2	175.4	0	0	113	T210	T210-E212 PolarHBondContact O-N 3.22Å
213	G	32.1	Very low	30.1	Very low	32 Å²	32	98.2 Å²	98.2	33%	0.33	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	137.1	-151.6	172.1	0	0	0	0	0	115.2	T210	T210-G213 PolarHBondContact N-O 3.46Å; T210-G213 PolarHBondContact O-N 3.01Å; T210-G213 PolarHBondContact OG1-N 3.14Å; T210-G213 PolarHBondContact OG1-O 3.2Å
214	I	28.2	Very low	30.3	Very low	156 Å²	156	97.7 Å²	97.7	80%	0.8	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	125.8	-172.6	-58	168	0	0	0	108.5	R216	I214-R216 PolarHBondContact O-N 3.33Å
215	S	31.8	Very low	30.6	Very low	51 Å²	51	96.2 Å²	96.2	36%	0.357	52%	0.524	S	S	.	.			trans	-63.9	119.1	166.9	-179.8	0	0	0	0	109.5	L217	S215-L217 PolarHBondContact O-N 3.36Å; S215-L217 PolarHBondContact OG-N 3.09Å
216	R	31.8	Very low	30.7	Very low	213 Å²	213	99 Å²	99	80%	0.804	54%	0.535	S	S	*	.			trans	-81.1	3.8	173.7	-65.3	-176.9	-175.1	172.3	2.4	112.8	I214 Y241	I214-R216 PolarHBondContact O-N 3.33Å; R216-Y241 PolarHBondContact O-OH 3.41Å
217	L	32.5	Very low	30.8	Very low	108 Å²	108	104.8 Å²	104.8	57%	0.565	55%	0.552	S	S	*	*	S	Bend	trans	-74.6	135.1	179.3	-111.1	80.9	0	0	0	110.7	S215	S215-L217 PolarHBondContact O-N 3.36Å; S215-L217 PolarHBondContact OG-N 3.09Å
218	P	31.1	Very low	30.8	Very low	79 Å²	79	107.2 Å²	107.2	51%	0.513	55%	0.554	S	S	.	*			trans	-70.5	146.6	-175.7	32.2	-36.5	0	0	0	110.8	P220	P218-P220 HydrophobicContact CB-CG 4.07Å; P218-P220 HydrophobicContact CG-CG 4.46Å; P218-P220 WeakPolarHBondContact O-CD 3.42Å
219	C	28.3	Very low	31.2	Very low	52 Å²	52	111.8 Å²	111.8	35%	0.351	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.1	4.8	175.4	-66.5	0	0	0	0	118.5	N221 I222 L235	C219-N221 PolarHBondContact O-N 2.99Å; C219-N221 VanDerWaalsContact O-N 3.09Å; C219-I222 PolarHBondContact O-N 3.47Å; C219-L235 HydrophobicContact CB-CD2 4.22Å
220	P	33.6	Very low	31.5	Very low	42 Å²	42	104 Å²	104	27%	0.273	53%	0.532	S	S	.	.	H	α-helix	trans	-52.1	-36.5	-179.5	-29.1	34.6	0	0	0	113.5	P218 I222 C223 E224	P218-P220 HydrophobicContact CB-CG 4.07Å; P218-P220 HydrophobicContact CG-CG 4.46Å; P218-P220 WeakPolarHBondContact O-CD 3.42Å; P220-I222 PolarHBondContact O-N 3.38Å; P220-C223 PolarHBondContact O-N 3.33Å; P220-C223 VanDerWaalsContact O-N 3.1Å; P220-E224 PolarHBondContact O-N 3.32Å
221	N	32.2	Very low	31.8	Very low	117 Å²	117	104.5 Å²	104.5	63%	0.626	53%	0.532	S	S	*	.	H	α-helix	trans	-58.2	-23.1	178.9	-72.3	-3.9	0	0	0	113.6	C219 H225	C219-N221 PolarHBondContact O-N 2.99Å; C219-N221 VanDerWaalsContact O-N 3.09Å; N221-H225 WeakPolarHBondContact O-CB 3.23Å
222	I	33.2	Very low	31.9	Very low	62 Å²	62	100.8 Å²	100.8	32%	0.318	51%	0.511	S	S	.	.	H	α-helix	trans	-87.6	-38.7	177.8	-62.8	176.6	0	0	0	111.2	C219 P220 N226 W228	C219-I222 PolarHBondContact O-N 3.47Å; P220-I222 PolarHBondContact O-N 3.38Å; I222-N226 WeakPolarHBondContact O-CB 3.16Å; I222-N226 PolarHBondContact O-N 3.22Å; I222-N226 VanDerWaalsContact O-N 3.09Å; I222-N226 PolarHBondContact O-ND2 3.07Å; I222-W228 HydrophobicContact CG2-CE3 4.17Å; I222-W228 HydrophobicContact CG2-CZ3 3.86Å
223	C	33.7	Very low	32.1	Very low	19 Å²	19	98.1 Å²	98.1	13%	0.128	50%	0.502	C	S	.	.	H	α-helix	trans	-70	-45.6	-175.2	-67.8	0	0	0	0	112.1	P220 H227 W228 C230	P220-C223 PolarHBondContact O-N 3.33Å; P220-C223 VanDerWaalsContact O-N 3.1Å; C223-H227 CarbonylContact O-C 3.55Å; C223-H227 WeakPolarHBondContact O-CA 3.3Å; C223-H227 PolarHBondContact O-N 3.49Å; C223-H227 VanDerWaalsContact O-N 3.12Å; C223-W228 PolarHBondContact O-N 2.71Å; C223-C230 HydrophobicContact CB-CB 3.92Å; C223-C230 WeakPolarHBondContact CB-SG 3.48Å; C223-C230 WeakPolarHBondContact SG-CB 3.42Å; C223-C230 CovalentContact SG-SG 2.05Å; C223-C230 PolarHBondContact SG-SG 2.98Å
224	E	32.5	Very low	32.3	Very low	155 Å²	155	104.5 Å²	104.5	72%	0.724	52%	0.521	S	S	*	.	H	α-helix	trans	-72.9	-40	178.1	-78.3	-174.7	159.4	0	0	111.8	P220 N226 H227	P220-E224 PolarHBondContact O-N 3.32Å; E224-N226 PolarHBondContact O-N 3.18Å; E224-H227 PolarHBondContact O-N 3.3Å
225	H	32.8	Very low	32.5	Very low	111 Å²	111	100.1 Å²	100.1	51%	0.514	50%	0.498	S	S	.	.	H	α-helix	trans	-68.8	-33.2	-177.8	-163.3	74.4	0	0	0	113.1	N221	N221-H225 WeakPolarHBondContact O-CB 3.23Å
226	N	29.7	Very low	32.3	Very low	76 Å²	76	102.7 Å²	102.7	41%	0.406	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	8.7	176.6	-64.5	-40.3	0	0	0	113.6	I222 E224 W228	I222-N226 WeakPolarHBondContact O-CB 3.16Å; I222-N226 PolarHBondContact O-N 3.22Å; I222-N226 VanDerWaalsContact O-N 3.09Å; I222-N226 PolarHBondContact O-ND2 3.07Å; E224-N226 PolarHBondContact O-N 3.18Å; N226-W228 HydrophobicContact CB-CD2 4.05Å; N226-W228 HydrophobicContact CB-CG 4.16Å; N226-W228 HydrophobicContact CB-CZ2 4.27Å; N226-W228 PolarHBondContact O-N 3.48Å; N226-W228 PolarHBondContact O-NE1 2.88Å
227	H	31.1	Very low	32.1	Very low	173 Å²	173	99 Å²	99	80%	0.801	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	38.4	-177.3	-60.1	-77.8	0	0	0	114	C223 E224	C223-H227 CarbonylContact O-C 3.55Å; C223-H227 WeakPolarHBondContact O-CA 3.3Å; C223-H227 PolarHBondContact O-N 3.49Å; C223-H227 VanDerWaalsContact O-N 3.12Å; E224-H227 PolarHBondContact O-N 3.3Å
228	W	32.1	Very low	32	Very low	121 Å²	121	101 Å²	101	46%	0.458	50%	0.503	S	S	.	.			trans	-85.5	134.9	178	-68.8	-6.6	0	0	0	111.3	I222 C223 N226 C230	I222-W228 HydrophobicContact CG2-CE3 4.17Å; I222-W228 HydrophobicContact CG2-CZ3 3.86Å; C223-W228 PolarHBondContact O-N 2.71Å; N226-W228 HydrophobicContact CB-CD2 4.05Å; N226-W228 HydrophobicContact CB-CG 4.16Å; N226-W228 HydrophobicContact CB-CZ2 4.27Å; N226-W228 PolarHBondContact O-N 3.48Å; N226-W228 PolarHBondContact O-NE1 2.88Å; W228-C230 VanDerWaalsContact C-N 3.33Å; W228-C230 PolarHBondContact O-N 3.36Å
229	K	33.6	Very low	32	Very low	192 Å²	192	102.1 Å²	102.1	84%	0.835	51%	0.513	S	S	*	.			trans	-73.2	85.8	173.3	-119.2	179.4	-177.1	175.2	0	109.6
230	C	33.7	Very low	32.1	Very low	29 Å²	29	105.8 Å²	105.8	20%	0.196	53%	0.525	C	S	.	.			trans	-87.9	134.8	174.3	-60.6	0	0	0	0	109.6	C223 W228 P232 L235	C223-C230 HydrophobicContact CB-CB 3.92Å; C223-C230 WeakPolarHBondContact CB-SG 3.48Å; C223-C230 WeakPolarHBondContact SG-CB 3.42Å; C223-C230 CovalentContact SG-SG 2.05Å; C223-C230 PolarHBondContact SG-SG 2.98Å; W228-C230 VanDerWaalsContact C-N 3.33Å; W228-C230 PolarHBondContact O-N 3.36Å; C230-P232 WeakPolarHBondContact O-CD 3.49Å; C230-L235 HydrophobicContact CB-CD1 3.47Å; C230-L235 VanDerWaalsContact CB-CD1 3.47Å; C230-L235 HydrophobicContact CB-CG 4.39Å
231	D	35.5	Very low	31.9	Very low	81 Å²	81	108 Å²	108	43%	0.433	53%	0.528	S	S	.	.			trans	-73.3	112	171	-177.8	-9.2	0	0	0	108.4	N233 K234 L235	D231-N233 PolarHBondContact O-N 3Å; D231-N233 VanDerWaalsContact O-N 3.13Å; D231-N233 VanDerWaalsContact OD1-CB 3.31Å; D231-N233 WeakPolarHBondContact OD1-CB 3.46Å; D231-N233 PolarHBondContact OD1-N 3.3Å; D231-N233 PolarHBondContact OD1-ND2 2.78Å; D231-K234 PolarHBondContact O-N 3.22Å; D231-L235 PolarHBondContact O-N 3.05Å
232	P	31	Very low	31.8	Very low	75 Å²	75	111.3 Å²	111.3	49%	0.487	54%	0.537	S	S	.	.	H	α-helix	trans	-58.6	-28	-178.9	22	-30.3	0	0	0	111.7	C230 K234 L235 F236	C230-P232 WeakPolarHBondContact O-CD 3.49Å; P232-K234 VanDerWaalsContact C-N 3.25Å; P232-K234 PolarHBondContact O-N 3.41Å; P232-L235 PolarHBondContact O-N 3.48Å; P232-F236 HydrophobicContact CB-CD2 4.41Å; P232-F236 VanDerWaalsContact O-CD2 3.24Å; P232-F236 WeakPolarHBondContact O-CD2 3.36Å; P232-F236 PolarHBondContact O-N 3.44Å; P232-F236 VanDerWaalsContact O-N 3.13Å
233	N	34.1	Very low	31.9	Very low	117 Å²	117	111.4 Å²	111.4	63%	0.626	54%	0.543	S	S	*	.	H	α-helix	trans	-66	-28.9	177.2	-62.2	-49.3	0	0	0	112.3	D231 L237	D231-N233 PolarHBondContact O-N 3Å; D231-N233 VanDerWaalsContact O-N 3.13Å; D231-N233 VanDerWaalsContact OD1-CB 3.31Å; D231-N233 WeakPolarHBondContact OD1-CB 3.46Å; D231-N233 PolarHBondContact OD1-N 3.3Å; D231-N233 PolarHBondContact OD1-ND2 2.78Å; N233-L237 WeakPolarHBondContact O-CB 2.96Å; N233-L237 VanDerWaalsContact O-CD1 3.28Å; N233-L237 WeakPolarHBondContact O-CD1 3.35Å; N233-L237 WeakPolarHBondContact O-CG 2.78Å
234	K	35.1	Very low	31.7	Very low	165 Å²	165	114.5 Å²	114.5	72%	0.717	55%	0.552	S	S	*	*	H	α-helix	trans	-83.9	-26.9	174.2	-69.7	-165	178.2	-174.4	0	113.4	D231 P232	D231-K234 PolarHBondContact O-N 3.22Å; P232-K234 VanDerWaalsContact C-N 3.25Å; P232-K234 PolarHBondContact O-N 3.41Å
235	L	32.3	Very low	31.9	Very low	64 Å²	64	115.1 Å²	115.1	34%	0.335	55%	0.548	S	S	.	.	H	α-helix	trans	-69.7	-33.2	175.3	-83.8	156.4	0	0	0	112.7	C219 C230 D231 P232	C219-L235 HydrophobicContact CB-CD2 4.22Å; C230-L235 HydrophobicContact CB-CD1 3.47Å; C230-L235 VanDerWaalsContact CB-CD1 3.47Å; C230-L235 HydrophobicContact CB-CG 4.39Å; D231-L235 PolarHBondContact O-N 3.05Å; P232-L235 PolarHBondContact O-N 3.48Å
236	F	28.9	Very low	32.2	Very low	106 Å²	106	110.4 Å²	110.4	47%	0.465	53%	0.527	S	S	.	.	S	Bend	trans	-110.2	15.7	-171.6	-66	-74.5	0	0	0	114.5	P232 K238	P232-F236 HydrophobicContact CB-CD2 4.41Å; P232-F236 VanDerWaalsContact O-CD2 3.24Å; P232-F236 WeakPolarHBondContact O-CD2 3.36Å; P232-F236 PolarHBondContact O-N 3.44Å; P232-F236 VanDerWaalsContact O-N 3.13Å; F236-K238 PolarHBondContact O-N 2.86Å; F236-K238 VanDerWaalsContact O-N 3.11Å
237	L	26.3	Very low	32.7	Very low	136 Å²	136	108.6 Å²	108.6	71%	0.712	52%	0.515	S	S	*	.			trans	-79.1	15	-172.1	-114	171.7	0	0	0	116.1	N233	N233-L237 WeakPolarHBondContact O-CB 2.96Å; N233-L237 VanDerWaalsContact O-CD1 3.28Å; N233-L237 WeakPolarHBondContact O-CD1 3.35Å; N233-L237 WeakPolarHBondContact O-CG 2.78Å
238	K	31.9	Very low	32.9	Very low	148 Å²	148	103.2 Å²	103.2	64%	0.643	49%	0.492	S	S	*	.	S	Bend	trans	-97.5	115	159.3	-77.4	-170.9	-179.6	-177.3	0	108	F236 H240 Y241	F236-K238 PolarHBondContact O-N 2.86Å; F236-K238 VanDerWaalsContact O-N 3.11Å; K238-H240 PolarHBondContact O-N 3.21Å; K238-Y241 HydrophobicContact CB-CD2 3.68Å; K238-Y241 HydrophobicContact CB-CE2 3.88Å; K238-Y241 HydrophobicContact CD-CE2 4.46Å; K238-Y241 PolarHBondContact O-N 3.43Å
239	S	30.4	Very low	33.4	Very low	103 Å²	103	100.2 Å²	100.2	72%	0.72	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.7	-25.8	177.5	47.8	0	0	0	0	113.9	Y241	S239-Y241 VanDerWaalsContact C-N 3.33Å; S239-Y241 PolarHBondContact O-N 2.94Å
240	H	31	Very low	33.5	Very low	129 Å²	129	93.1 Å²	93.1	60%	0.597	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-28.1	173.4	-64.6	-70.4	0	0	0	114.1	K238 S243 Y244	K238-H240 PolarHBondContact O-N 3.21Å; H240-S243 PolarHBondContact O-OG 3.17Å; H240-Y244 HydrophobicContact CB-CE2 4.49Å; H240-Y244 WeakPolarHBondContact O-CD2 3.33Å; H240-Y244 WeakPolarHBondContact O-CE2 3.46Å
241	Y	29.6	Very low	33.6	Very low	90 Å²	90	98.1 Å²	98.1	35%	0.353	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-80.9	-21.7	-172.3	-70.8	-79.6	0	0	0	115.7	R216 K238 S239 S243 Y244	R216-Y241 PolarHBondContact O-OH 3.41Å; K238-Y241 HydrophobicContact CB-CD2 3.68Å; K238-Y241 HydrophobicContact CB-CE2 3.88Å; K238-Y241 HydrophobicContact CD-CE2 4.46Å; K238-Y241 PolarHBondContact O-N 3.43Å; S239-Y241 VanDerWaalsContact C-N 3.33Å; S239-Y241 PolarHBondContact O-N 2.94Å; Y241-S243 PolarHBondContact O-N 2.77Å; Y241-S243 VanDerWaalsContact O-N 3.08Å; Y241-Y244 AromaticContact CD1-CD2 3.64Å; Y241-Y244 HydrophobicContact CD1-CD2 3.64Å; Y241-Y244 AromaticContact CD1-CE2 3.71Å; Y241-Y244 HydrophobicContact CD1-CE2 3.71Å; Y241-Y244 HydrophobicContact CE1-CD2 4.4Å; Y241-Y244 HydrophobicContact CE1-CE2 4.21Å; Y241-Y244 HydrophobicContact CG-CD2 4.25Å; Y241-Y244 HydrophobicContact CG-CE2 4.19Å; Y241-Y244 PolarHBondContact O-N 3.18Å
242	K	29	Very low	33.5	Very low	186 Å²	186	97.7 Å²	97.7	81%	0.809	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-63.2	-14.7	177.4	-79.9	-172.9	176.2	-177.7	0	113.2
243	S	35.2	Very low	33.7	Very low	63 Å²	63	102.4 Å²	102.4	44%	0.441	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-88.7	-20.3	-179.8	62.4	0	0	0	0	114.6	H240 Y241 R245 Q295	H240-S243 PolarHBondContact O-OG 3.17Å; Y241-S243 PolarHBondContact O-N 2.77Å; Y241-S243 VanDerWaalsContact O-N 3.08Å; S243-R245 PolarHBondContact O-N 3.35Å; S243-Q295 PolarHBondContact O-NE2 3.11Å; S243-Q295 PolarHBondContact OG-OE1 2.97Å
244	Y	30.1	Very low	33.6	Very low	84 Å²	84	104 Å²	104	33%	0.329	50%	0.496	S	S	.	.			trans	-84.7	111.6	-170.3	-53.8	-69.4	0	0	0	112.4	H240 Y241 Q295	H240-Y244 HydrophobicContact CB-CE2 4.49Å; H240-Y244 WeakPolarHBondContact O-CD2 3.33Å; H240-Y244 WeakPolarHBondContact O-CE2 3.46Å; Y241-Y244 AromaticContact CD1-CD2 3.64Å; Y241-Y244 HydrophobicContact CD1-CD2 3.64Å; Y241-Y244 AromaticContact CD1-CE2 3.71Å; Y241-Y244 HydrophobicContact CD1-CE2 3.71Å; Y241-Y244 HydrophobicContact CE1-CD2 4.4Å; Y241-Y244 HydrophobicContact CE1-CE2 4.21Å; Y241-Y244 HydrophobicContact CG-CD2 4.25Å; Y241-Y244 HydrophobicContact CG-CE2 4.19Å; Y241-Y244 PolarHBondContact O-N 3.18Å; Y244-Q295 HydrophobicContact CD1-CB 3.85Å; Y244-Q295 VanDerWaalsContact CD1-CD 3.43Å; Y244-Q295 HydrophobicContact CD1-CG 3.84Å; Y244-Q295 HydrophobicContact CE1-CB 4.11Å; Y244-Q295 HydrophobicContact CE1-CG 4.43Å
245	R	36.5	Very low	33.3	Very low	168 Å²	168	102.7 Å²	102.7	63%	0.634	51%	0.505	S	S	*	.	S	Bend	trans	-121.7	-23.5	173.8	-73.9	-174.1	176.4	-174.6	-1.2	114.4	S243	S243-R245 PolarHBondContact O-N 3.35Å
246	H	40.2	Very low	33.3	Very low	13 Å²	13	108.1 Å²	108.1	6%	0.06	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	139.4	-172.4	-53	96.9	0	0	0	108.8	C296 Y301	H246-C296 HydrophobicContact CB-CB 3.77Å; H246-C296 PolarHBondContact O-N 3.19Å; H246-Y301 AromaticContact CD2-CD1 3.97Å; H246-Y301 AromaticContact CD2-CD2 3.54Å; H246-Y301 AromaticContact CD2-CG 3.53Å; H246-Y301 AromaticContact NE2-CD1 3.9Å; H246-Y301 AromaticContact NE2-CG 3.92Å
247	F	39	Very low	33.2	Very low	38 Å²	38	110.2 Å²	110.2	17%	0.167	54%	0.541	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.6	-176.2	-59.2	-91.7	0	0	0	111.3	L293 S294 C312 I313 M318	F247-L293 HydrophobicContact CB-CD2 4.29Å; F247-S294 CarbonylContact C-O 3.54Å; F247-S294 VanDerWaalsContact CA-O 3.31Å; F247-S294 WeakPolarHBondContact CA-O 3.45Å; F247-C312 WeakPolarHBondContact O-CA 3.49Å; F247-I313 PolarHBondContact N-O 2.71Å; F247-I313 PolarHBondContact O-N 3.19Å; F247-M318 HydrophobicContact CB-SD 3.94Å; F247-M318 HydrophobicContact CD1-CE 4.42Å; F247-M318 HydrophobicContact CD1-SD 4.34Å; F247-M318 HydrophobicContact CD2-CE 3.35Å; F247-M318 HydrophobicContact CD2-SD 3.54Å; F247-M318 VanDerWaalsContact CD2-SD 3.54Å; F247-M318 HydrophobicContact CE1-CE 4.35Å; F247-M318 HydrophobicContact CE2-CE 3.27Å; F247-M318 HydrophobicContact CE2-SD 4.11Å; F247-M318 HydrophobicContact CG-CE 3.96Å; F247-M318 HydrophobicContact CG-SD 3.68Å; F247-M318 HydrophobicContact CZ-CE 3.8Å
248	L	36.5	Very low	33.1	Very low	60 Å²	60	112.3 Å²	112.3	31%	0.314	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	134.9	171.1	-170.3	71.7	0	0	0	108.7	T250 L293 S294 C296	L248-T250 HydrophobicContact CD2-CG2 3.58Å; L248-T250 HydrophobicContact CG-CG2 3.93Å; L248-L293 WeakPolarHBondContact O-CA 2.93Å; L248-S294 WeakPolarHBondContact CB-OG 3.39Å; L248-S294 PolarHBondContact N-O 3.19Å; L248-S294 PolarHBondContact O-N 3.49Å; L248-C296 VanDerWaalsContact CB-SG 3.59Å
249	I	41.1	Very low	32.8	Very low	57 Å²	57	111.2 Å²	111.2	29%	0.292	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	110.8	174.5	-58.5	179.1	0	0	0	107.3	I291 L293 V310 I313 I322	I249-I291 HydrophobicContact CG2-CG2 3.44Å; I249-I291 VanDerWaalsContact CG2-CG2 3.44Å; I249-L293 HydrophobicContact CG1-CD2 3.92Å; I249-V310 HydrophobicContact CD1-CG1 4.28Å; I249-I313 HydrophobicContact CD1-CD1 4.28Å; I249-I322 HydrophobicContact CD1-CD1 3.91Å
250	T	35.8	Very low	32.3	Very low	43 Å²	43	116.7 Å²	116.7	26%	0.264	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133.2	-178.7	47.5	0	0	0	0	111.5	L248 A292 S294	L248-T250 HydrophobicContact CD2-CG2 3.58Å; L248-T250 HydrophobicContact CG-CG2 3.93Å; T250-A292 PolarHBondContact N-O 2.97Å; T250-A292 PolarHBondContact O-N 3.47Å; T250-A292 PolarHBondContact OG1-O 2.83Å; T250-S294 WeakPolarHBondContact CG2-OG 3.34Å
251	D	36.3	Very low	31.9	Very low	135 Å²	135	116.7 Å²	116.7	72%	0.722	55%	0.554	S	S	*	*			trans	-82.5	120.2	161.6	-169.7	-28.9	0	0	0	108.4	Y253	D251-Y253 PolarHBondContact O-N 3.05Å; D251-Y253 PolarHBondContact OD1-N 2.93Å
252	P	33.4	Very low	31.7	Very low	71 Å²	71	119 Å²	119	46%	0.461	57%	0.566	S	S	.	*	S	Bend	trans	-77.9	0.1	-167.6	27.2	-32.6	0	0	0	116.7
253	Y	35.1	Very low	31.5	Very low	175 Å²	175	118 Å²	118	69%	0.686	56%	0.564	S	S	*	*	S	Bend	trans	-119.6	-1.9	-172.1	-89.4	-73.3	0	0	0	120.8	D251	D251-Y253 PolarHBondContact O-N 3.05Å; D251-Y253 PolarHBondContact OD1-N 2.93Å
254	E	31.7	Very low	30.9	Very low	150 Å²	150	122.1 Å²	122.1	70%	0.701	58%	0.581	S	S	*	*			trans	-155.3	105.5	167.7	-116.8	168.1	-148	0	0	111.7	E256	E254-E256 PolarHBondContact O-N 3.2Å
255	P	30	Very low	30.6	Very low	137 Å²	137	119.7 Å²	119.7	89%	0.89	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-9	-175.2	-20.9	29.9	0	0	0	115.7
256	E	32	Very low	30	Very low	179 Å²	179	116.8 Å²	116.8	84%	0.836	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127	11.7	-164.2	-65.3	-166.9	162.8	0	0	116.5	E254	E254-E256 PolarHBondContact O-N 3.2Å
257	M	25.1	Very low	29.3	Very low	149 Å²	149	121 Å²	121	73%	0.734	61%	0.608	S	S	*	*			trans	-137.6	109.1	171.7	-78.7	-153.3	-178.7	0	0	116.9
258	K	24.7	Very low	28.5	Very low	180 Å²	180	124.8 Å²	124.8	78%	0.783	63%	0.627	S	S	*	*				40.9	95.5	126.2	-60	179.3	-177.6	178.3	0	117.1	R260	K258-R260 PolarHBondContact O-N 2.79Å
259	I	25.4	Very low	27.9	Very low	125 Å²	125	128.4 Å²	128.4	64%	0.641	65%	0.651	S	S	*	*			trans	-62.1	117.7	165.8	-60.3	172.3	0	0	0	109.4
260	R	21.1	Very low	27	Very low	218 Å²	218	132 Å²	132	82%	0.823	67%	0.671	S	S	*	*			trans	-82.2	127.1	174.6	-75	-173.8	179.9	-170.7	0.8	110.7	K258 F262	K258-R260 PolarHBondContact O-N 2.79Å; R260-F262 PolarHBondContact O-N 3.14Å
261	N	22.3	Very low	26.4	Very low	129 Å²	129	135 Å²	135	69%	0.69	69%	0.689	S	S	*	*			trans	-64.2	110.1	168.2	-148.3	-9.4	0	0	0	108.7	Q263	N261-Q263 PolarHBondContact O-N 3.14Å
262	F	24.8	Very low	25.9	Very low	140 Å²	140	135 Å²	135	61%	0.614	70%	0.696	S	S	*	*			trans	-75.3	66.4	176.3	-90	-88.8	0	0	0	110	R260 N264 A265	R260-F262 PolarHBondContact O-N 3.14Å; F262-N264 PolarHBondContact O-N 3.08Å; F262-A265 HydrophobicContact CB-CB 4.3Å
263	Q	24.3	Very low	25.6	Very low	164 Å²	164	139.6 Å²	139.6	77%	0.766	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-15	172.6	-78.8	-173.6	-19.1	0	0	112.8	N261	N261-Q263 PolarHBondContact O-N 3.14Å
264	N	24.3	Very low	25.3	Very low	150 Å²	150	141.5 Å²	141.5	80%	0.802	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.5	18.5	-175.5	-66	-12.4	0	0	0	114	F262 P266	F262-N264 PolarHBondContact O-N 3.08Å; N264-P266 VanDerWaalsContact O-CD 3.32Å; N264-P266 WeakPolarHBondContact O-CD 3.27Å
265	A	23.6	Very low	25	Very low	32 Å²	32	137 Å²	137	26%	0.264	71%	0.709	S	S	.	*			trans	-68.5	120.6	171.7	0	0	0	0	0	108.9	F262 T267	F262-A265 HydrophobicContact CB-CB 4.3Å; A265-T267 PolarHBondContact O-N 3.1Å
266	P	23.2	Very low	24.8	Very low	108 Å²	108	135.8 Å²	135.8	70%	0.701	70%	0.695	S	S	*	*			trans	-61.8	114.1	178.4	22.7	-30.1	0	0	0	108.9	N264 E268	N264-P266 VanDerWaalsContact O-CD 3.32Å; N264-P266 WeakPolarHBondContact O-CD 3.27Å; P266-E268 VanDerWaalsContact C-N 3.34Å; P266-E268 PolarHBondContact O-N 2.98Å
267	T	25.3	Very low	24.4	Very low	102 Å²	102	130 Å²	130	63%	0.626	67%	0.672	S	S	*	*			trans	-59.4	99.8	160	29.3	0	0	0	0	107	A265 T269	A265-T267 PolarHBondContact O-N 3.1Å; T267-T269 PolarHBondContact O-N 3.32Å
268	E	23.1	Very low	24.5	Very low	117 Å²	117	127.7 Å²	127.7	55%	0.547	66%	0.659	S	S	.	*			trans	-59.5	111.3	164.3	-95.1	171.6	-152.2	0	0	106.9	P266 N270 K283	P266-E268 VanDerWaalsContact C-N 3.34Å; P266-E268 PolarHBondContact O-N 2.98Å; E268-N270 PolarHBondContact O-N 2.91Å; E268-K283 IonicContact OE1-NZ 2.8Å; E268-K283 PolarHBondContact OE1-NZ 3.15Å
269	T	22.5	Very low	24.6	Very low	135 Å²	135	124.9 Å²	124.9	83%	0.828	64%	0.644	S	S	*	*			trans	-63	69.2	169.2	36.4	0	0	0	0	108.7	T267 T271	T267-T269 PolarHBondContact O-N 3.32Å; T269-T271 PolarHBondContact O-N 2.01Å
270	N	23.2	Very low	24.8	Very low	132 Å²	132	122.4 Å²	122.4	71%	0.706	63%	0.631	S	S	*	*			trans	-66.3	127.2	166.1	-82.9	-48.5	0	0	0	107.7	E268	E268-N270 PolarHBondContact O-N 2.91Å
271	T	23.8	Very low	25.2	Very low	107 Å²	107	114.9 Å²	114.9	66%	0.656	61%	0.606	S	S	*	*			trans	-39.9	148.5	-173.6	42	0	0	0	0	114.2	T269 E273	T269-T271 PolarHBondContact O-N 2.01Å; T271-E273 VanDerWaalsContact C-N 3.31Å; T271-E273 PolarHBondContact O-N 3.47Å
272	P	24.2	Very low	25.6	Very low	134 Å²	134	112.5 Å²	112.5	87%	0.87	59%	0.593	S	S	*	*			trans	-72.7	78.9	-167.7	31.5	-36	0	0	0	111.9
273	E	28.2	Very low	25.7	Very low	169 Å²	169	111.5 Å²	111.5	79%	0.79	59%	0.589	S	S	*	*			trans	-114	86.2	168.1	-73.6	-171.5	168.5	0	0	109.5	T271 S275	T271-E273 VanDerWaalsContact C-N 3.31Å; T271-E273 PolarHBondContact O-N 3.47Å; E273-S275 VanDerWaalsContact C-N 3.28Å; E273-S275 PolarHBondContact O-N 3.32Å
274	K	28.1	Very low	25.8	Very low	215 Å²	215	106.7 Å²	106.7	94%	0.935	58%	0.584	S	S	*	*	S	Bend	trans	32.9	41.7	152.6	-66.7	-175.8	176.7	178.2	0	118.7
275	S	26.5	Very low	25.9	Very low	56 Å²	56	102.9 Å²	102.9	39%	0.392	58%	0.58	S	S	.	*			trans	-112.6	113.6	170.4	162.4	0	0	0	0	110.1	E273 V277	E273-S275 VanDerWaalsContact C-N 3.28Å; E273-S275 PolarHBondContact O-N 3.32Å; S275-V277 PolarHBondContact O-N 3.12Å; S275-V277 PolarHBondContact OG-N 3.24Å
276	N	26	Very low	26.1	Very low	111 Å²	111	109.7 Å²	109.7	59%	0.594	61%	0.61	S	S	*	*			trans	-74.7	29.1	176	-66.5	-6.6	0	0	0	112.8	K335	N276-K335 VanDerWaalsContact C-CE 3.45Å; N276-K335 WeakPolarHBondContact O-CD 3.3Å; N276-K335 WeakPolarHBondContact O-CE 2.9Å; N276-K335 VanDerWaalsContact O-CG 3.24Å; N276-K335 WeakPolarHBondContact O-CG 3.14Å; N276-K335 PolarHBondContact O-NZ 2.95Å
277	V	23.8	Very low	26.3	Very low	58 Å²	58	114.2 Å²	114.2	35%	0.352	61%	0.613	S	S	.	*			trans	-131.6	118	177.4	-174.9	0	0	0	0	109.2	S275 T332	S275-V277 PolarHBondContact O-N 3.12Å; S275-V277 PolarHBondContact OG-N 3.24Å; V277-T332 HydrophobicContact CG1-CG2 4.23Å
278	Q	26.3	Very low	26.3	Very low	100 Å²	100	118.6 Å²	118.6	47%	0.467	62%	0.623	S	S	.	*			trans	-80.4	137.3	166.2	-93.7	178	-24.6	0	0	108.8
279	R	27.2	Very low	26.6	Very low	120 Å²	120	118.8 Å²	118.8	45%	0.453	62%	0.624	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.8	124	-177.1	-60.5	172.7	-177.4	156.7	-0.2	107.5
280	I	29	Very low	26.9	Very low	73 Å²	73	116 Å²	116	37%	0.374	61%	0.61	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.3	120.5	170	-56.7	178.4	0	0	0	107.1	L282 Y333	I280-L282 PolarHBondContact O-N 2.74Å; I280-Y333 HydrophobicContact CD1-CE2 4.04Å; I280-Y333 HydrophobicContact CG1-CE2 4.44Å
281	I	30.2	Very low	27.4	Very low	60 Å²	60	112.8 Å²	112.8	31%	0.308	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.1	115.8	171.7	-55.7	172.4	0	0	0	106.2	K283 E328 L330	I281-K283 HydrophobicContact CB-CG 4.31Å; I281-K283 HydrophobicContact CG2-CG 3.67Å; I281-K283 PolarHBondContact O-N 2.63Å; I281-E328 WeakPolarHBondContact CG2-OE2 3.45Å; I281-L330 HydrophobicContact CG1-CD2 4.38Å
282	L	29.8	Very low	28	Very low	79 Å²	79	109.7 Å²	109.7	41%	0.414	58%	0.577	S	S	.	*			trans	-71.2	80.8	165.6	-68.4	170	0	0	0	107.2	I280 G284 V331	I280-L282 PolarHBondContact O-N 2.74Å; L282-G284 PolarHBondContact O-N 3.23Å; L282-V331 HydrophobicContact CD1-CG2 4.42Å
283	K	26.3	Very low	28.5	Very low	119 Å²	119	107 Å²	107	52%	0.517	56%	0.555	S	S	.	*			trans	-68.2	82.4	173.4	-79.1	-173.3	178	170.9	0	108.1	E268 I281 G285	E268-K283 IonicContact OE1-NZ 2.8Å; E268-K283 PolarHBondContact OE1-NZ 3.15Å; I281-K283 HydrophobicContact CB-CG 4.31Å; I281-K283 HydrophobicContact CG2-CG 3.67Å; I281-K283 PolarHBondContact O-N 2.63Å; K283-G285 PolarHBondContact O-N 3.15Å
284	G	27	Very low	29.2	Very low	64 Å²	64	100.9 Å²	100.9	66%	0.66	53%	0.531	S	S	*	.			trans	-69.1	114.4	165.3	0	0	0	0	0	109	L282 I286	L282-G284 PolarHBondContact O-N 3.23Å; G284-I286 PolarHBondContact O-N 2.87Å
285	G	25.8	Very low	29.9	Very low	70 Å²	70	94.3 Å²	94.3	72%	0.722	50%	0.504	S	S	*	.			trans	-54	124	176.8	0	0	0	0	0	112.4	K283 R287	K283-G285 PolarHBondContact O-N 3.15Å; G285-R287 PolarHBondContact O-N 2.77Å
286	I	28.1	Very low	30.6	Very low	175 Å²	175	91.8 Å²	91.8	90%	0.897	49%	0.486	S	S	*	.	S	Bend	trans	62	-11.6	152.8	-56.8	173.8	0	0	0	118.6	G284	G284-I286 PolarHBondContact O-N 2.87Å
287	R	28.8	Very low	31.7	Very low	203 Å²	203	88.9 Å²	88.9	77%	0.766	48%	0.475	S	S	*	.			trans	-130.7	110.7	170.7	-70.8	-173.3	177.8	-179.4	0.3	111.8	G285 Q289	G285-R287 PolarHBondContact O-N 2.77Å; R287-Q289 PolarHBondContact O-N 3.03Å
288	K	25.3	Very low	32.8	Very low	193 Å²	193	89.8 Å²	89.8	84%	0.839	48%	0.475	S	S	*	.			trans	-66.6	44.4	-173.7	-62.8	176	172.9	176.2	0	114.9
289	Q	29.1	Very low	33.7	Very low	122 Å²	122	91.9 Å²	91.9	57%	0.57	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-96.8	126.4	-168.3	-71.5	179	-12	0	0	112.4	R287	R287-Q289 PolarHBondContact O-N 3.03Å
290	S	28.9	Very low	34.7	Very low	76 Å²	76	91.4 Å²	91.4	53%	0.531	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-61	129.1	-178.3	54.3	0	0	0	0	111.9	A292	S290-A292 PolarHBondContact O-N 3.25Å
291	I	34.1	Very low	35.4	Very low	65 Å²	65	91 Å²	91	33%	0.333	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-59	126.5	167.7	-60.6	170.2	0	0	0	108.4	I249 T329	I249-I291 HydrophobicContact CG2-CG2 3.44Å; I249-I291 VanDerWaalsContact CG2-CG2 3.44Å; I291-T329 HydrophobicContact CD1-CG2 4.14Å
292	A	34.8	Very low	35.9	Very low	41 Å²	41	96.5 Å²	96.5	34%	0.339	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	124.9	179.8	0	0	0	0	0	109.9	T250 S290	T250-A292 PolarHBondContact N-O 2.97Å; T250-A292 PolarHBondContact O-N 3.47Å; T250-A292 PolarHBondContact OG1-O 2.83Å; S290-A292 PolarHBondContact O-N 3.25Å
293	L	35.7	Very low	36.4	Very low	77 Å²	77	98.4 Å²	98.4	40%	0.403	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	117.8	167.9	-72.5	161.6	0	0	0	108.4	F247 L248 I249 M318	F247-L293 HydrophobicContact CB-CD2 4.29Å; L248-L293 WeakPolarHBondContact O-CA 2.93Å; I249-L293 HydrophobicContact CG1-CD2 3.92Å; L293-M318 HydrophobicContact CD1-SD 4.43Å; L293-M318 HydrophobicContact CD2-SD 4.32Å
294	S	42.5	Very low	37.1	Very low	42 Å²	42	96.6 Å²	96.6	29%	0.294	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	158	171.6	48.8	0	0	0	0	110.8	F247 L248 T250	F247-S294 CarbonylContact C-O 3.54Å; F247-S294 VanDerWaalsContact CA-O 3.31Å; F247-S294 WeakPolarHBondContact CA-O 3.45Å; L248-S294 WeakPolarHBondContact CB-OG 3.39Å; L248-S294 PolarHBondContact N-O 3.19Å; L248-S294 PolarHBondContact O-N 3.49Å; T250-S294 WeakPolarHBondContact CG2-OG 3.34Å
295	Q	42.6	Very low	37.3	Very low	77 Å²	77	99.3 Å²	99.3	36%	0.36	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	133.1	-179.7	179.7	178.6	-9.5	0	0	109.9	S243 Y244	S243-Q295 PolarHBondContact O-NE2 3.11Å; S243-Q295 PolarHBondContact OG-OE1 2.97Å; Y244-Q295 HydrophobicContact CD1-CB 3.85Å; Y244-Q295 VanDerWaalsContact CD1-CD 3.43Å; Y244-Q295 HydrophobicContact CD1-CG 3.84Å; Y244-Q295 HydrophobicContact CE1-CB 4.11Å; Y244-Q295 HydrophobicContact CE1-CG 4.43Å
296	C	41.5	Very low	37.5	Very low	3 Å²	3	99.8 Å²	99.8	2%	0.02	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-89.1	145	164	-58.5	0	0	0	0	111.4	H246 L248 E300 C312	H246-C296 HydrophobicContact CB-CB 3.77Å; H246-C296 PolarHBondContact O-N 3.19Å; L248-C296 VanDerWaalsContact CB-SG 3.59Å; C296-E300 WeakPolarHBondContact CA-OE2 3.32Å; C296-E300 HydrophobicContact CB-CB 4.28Å; C296-C312 HydrophobicContact CB-CB 3.78Å; C296-C312 WeakPolarHBondContact CB-SG 3.3Å; C296-C312 WeakPolarHBondContact SG-CB 3.36Å; C296-C312 CovalentContact SG-SG 2.02Å; C296-C312 PolarHBondContact SG-SG 2.68Å
297	S	48.6	Very low	37.4	Very low	50 Å²	50	94.2 Å²	94.2	35%	0.35	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-71.6	159.3	162.6	64.4	0	0	0	0	111.3	E299 E300 Y301	S297-E299 PolarHBondContact O-N 3.39Å; S297-E300 WeakPolarHBondContact CB-OE2 3.36Å; S297-E300 PolarHBondContact N-OE2 3.27Å; S297-E300 PolarHBondContact O-N 3.05Å; S297-E300 WeakPolarHBondContact OG-CB 3.33Å; S297-E300 VanDerWaalsContact OG-CD 3.22Å; S297-E300 WeakPolarHBondContact OG-CG 3.37Å; S297-E300 PolarHBondContact OG-N 2.99Å; S297-E300 PolarHBondContact OG-OE2 3.44Å; S297-Y301 PolarHBondContact O-N 2.94Å
298	E	47.4	Very low	37.2	Very low	76 Å²	76	95.4 Å²	95.4	36%	0.355	48%	0.483	S	S	.	.	H	α-helix	trans	-60.3	-34.3	173.8	-100.9	-129.8	142.6	0	0	112.1	R302 K381	E298-R302 WeakPolarHBondContact O-CB 3.36Å; E298-R302 WeakPolarHBondContact O-CG 3.28Å; E298-R302 PolarHBondContact O-N 3.35Å; E298-K381 WeakPolarHBondContact OE1-CE 3.31Å; E298-K381 IonicContact OE1-NZ 3.71Å; E298-K381 PolarHBondContact OE1-NZ 3.27Å
299	E	44.7	Very low	37.5	Very low	145 Å²	145	90.4 Å²	90.4	68%	0.678	47%	0.466	S	S	*	.	H	α-helix	trans	-69.1	-43.5	175.5	-78.3	-177.7	163.3	0	0	111.4	S297 Y301 R302 N303	S297-E299 PolarHBondContact O-N 3.39Å; E299-Y301 VanDerWaalsContact C-N 3.35Å; E299-Y301 PolarHBondContact O-N 2.81Å; E299-R302 PolarHBondContact O-N 2.8Å; E299-N303 WeakPolarHBondContact O-CA 2.94Å; E299-N303 WeakPolarHBondContact O-CB 3.27Å; E299-N303 VanDerWaalsContact O-CG 3.31Å; E299-N303 PolarHBondContact O-N 3.11Å
300	E	48	Very low	37.8	Very low	109 Å²	109	88.5 Å²	88.5	51%	0.509	46%	0.462	S	S	.	.	H	α-helix	trans	-61.6	-42	174.5	-75.7	161.1	156.4	0	0	111.7	C296 S297 R302 Q304	C296-E300 WeakPolarHBondContact CA-OE2 3.32Å; C296-E300 HydrophobicContact CB-CB 4.28Å; S297-E300 WeakPolarHBondContact CB-OE2 3.36Å; S297-E300 PolarHBondContact N-OE2 3.27Å; S297-E300 PolarHBondContact O-N 3.05Å; S297-E300 WeakPolarHBondContact OG-CB 3.33Å; S297-E300 VanDerWaalsContact OG-CD 3.22Å; S297-E300 WeakPolarHBondContact OG-CG 3.37Å; S297-E300 PolarHBondContact OG-N 2.99Å; S297-E300 PolarHBondContact OG-OE2 3.44Å; E300-R302 VanDerWaalsContact C-N 3.35Å; E300-R302 PolarHBondContact O-N 2.91Å; E300-Q304 WeakPolarHBondContact O-CA 3.15Å; E300-Q304 VanDerWaalsContact O-CB 3.28Å; E300-Q304 WeakPolarHBondContact O-CB 3.03Å; E300-Q304 PolarHBondContact O-N 3.08Å
301	Y	44	Very low	38.4	Very low	66 Å²	66	86.3 Å²	86.3	26%	0.259	45%	0.451	S	S	.	.	H	α-helix	trans	-64.8	-35.6	175.5	176.5	-94.6	0	0	0	113	H246 S297 E299 Q304 C312 K381	H246-Y301 AromaticContact CD2-CD1 3.97Å; H246-Y301 AromaticContact CD2-CD2 3.54Å; H246-Y301 AromaticContact CD2-CG 3.53Å; H246-Y301 AromaticContact NE2-CD1 3.9Å; H246-Y301 AromaticContact NE2-CG 3.92Å; S297-Y301 PolarHBondContact O-N 2.94Å; E299-Y301 VanDerWaalsContact C-N 3.35Å; E299-Y301 PolarHBondContact O-N 2.81Å; Y301-Q304 WeakPolarHBondContact O-CG 3.41Å; Y301-Q304 PolarHBondContact O-NE2 3.28Å; Y301-Q304 VanDerWaalsContact O-NE2 3.14Å; Y301-C312 HydrophobicContact CD2-CB 3.62Å; Y301-C312 WeakPolarHBondContact CD2-O 3.46Å; Y301-C312 VanDerWaalsContact CE2-O 3.27Å; Y301-C312 WeakPolarHBondContact CE2-O 3.42Å; Y301-C312 HydrophobicContact CG-CB 4.35Å; Y301-K381 HydrophobicContact CE1-CD 4.44Å
302	R	41.4	Very low	38.8	Very low	175 Å²	175	83.8 Å²	83.8	66%	0.66	44%	0.439	S	S	*	.	H	α-helix	trans	-77.5	-39.9	177.5	-79.5	-177.8	177.1	-173.9	1.7	112.7	E298 E299 E300	E298-R302 WeakPolarHBondContact O-CB 3.36Å; E298-R302 WeakPolarHBondContact O-CG 3.28Å; E298-R302 PolarHBondContact O-N 3.35Å; E299-R302 PolarHBondContact O-N 2.8Å; E300-R302 VanDerWaalsContact C-N 3.35Å; E300-R302 PolarHBondContact O-N 2.91Å
303	N	40.9	Very low	39.2	Very low	118 Å²	118	83.4 Å²	83.4	63%	0.631	43%	0.431	S	S	*	.	H	α-helix	trans	-98	3.3	-171.7	-62.2	-15.4	0	0	0	112.8	E299 T305	E299-N303 WeakPolarHBondContact O-CA 2.94Å; E299-N303 WeakPolarHBondContact O-CB 3.27Å; E299-N303 VanDerWaalsContact O-CG 3.31Å; E299-N303 PolarHBondContact O-N 3.11Å; N303-T305 PolarHBondContact O-N 3.4Å
304	Q	39.4	Very low	39.5	Very low	82 Å²	82	81.7 Å²	81.7	38%	0.383	43%	0.426	S	S	.	.			trans	-53.4	112.1	174.8	59.4	-172.4	-14.6	0	0	109.3	E300 Y301	E300-Q304 WeakPolarHBondContact O-CA 3.15Å; E300-Q304 VanDerWaalsContact O-CB 3.28Å; E300-Q304 WeakPolarHBondContact O-CB 3.03Å; E300-Q304 PolarHBondContact O-N 3.08Å; Y301-Q304 WeakPolarHBondContact O-CG 3.41Å; Y301-Q304 PolarHBondContact O-NE2 3.28Å; Y301-Q304 VanDerWaalsContact O-NE2 3.14Å
305	T	32.3	Very low	39.3	Very low	120 Å²	120	84.2 Å²	84.2	74%	0.736	43%	0.433	S	S	*	.			trans	-75.6	151.8	171.1	27.9	0	0	0	0	108.9	N303 A307	N303-T305 PolarHBondContact O-N 3.4Å; T305-A307 PolarHBondContact O-N 2.88Å
306	P	28.9	Very low	39.1	Very low	80 Å²	80	84.8 Å²	84.8	52%	0.519	44%	0.438	S	S	.	.			trans	-73.7	84	-176.4	0.3	19.1	0	0	0	107.6	K360	P306-K360 HydrophobicContact CB-CD 4.41Å; P306-K360 VanDerWaalsContact CB-CE 3.49Å; P306-K360 HydrophobicContact CB-CG 4.08Å; P306-K360 HydrophobicContact CG-CD 4.3Å; P306-K360 HydrophobicContact CG-CG 4.4Å
307	A	26.7	Very low	39	Very low	58 Å²	58	86.3 Å²	86.3	48%	0.479	45%	0.451	S	S	.	.			trans	-88.9	160.7	167.3	0	0	0	0	0	108.7	T305 D309	T305-A307 PolarHBondContact O-N 2.88Å; A307-D309 PolarHBondContact O-N 3.17Å
308	Y	24.8	Very low	38.5	Very low	229 Å²	229	85.8 Å²	85.8	90%	0.898	44%	0.444	S	S	*	.	S	Bend	trans	-63.9	2.7	178.9	-86.6	-93.4	0	0	0	114.4
309	D	31.6	Very low	38	Very low	88 Å²	88	89.6 Å²	89.6	47%	0.471	46%	0.455	S	S	.	.	S	Bend	trans	-112.5	148.5	-169.9	-52.6	-49.8	0	0	0	110.1	A307 G311	A307-D309 PolarHBondContact O-N 3.17Å; D309-G311 PolarHBondContact O-N 2.8Å
310	V	34.9	Very low	37.7	Very low	81 Å²	81	85.9 Å²	85.9	49%	0.491	44%	0.439	S	S	.	.			trans	-62.7	107.9	-176.6	-173.7	0	0	0	0	109.7	I249 I313	I249-V310 HydrophobicContact CD1-CG1 4.28Å; V310-I313 HydrophobicContact CG1-CG2 4.45Å
311	G	42.6	Very low	37.1	Very low	30 Å²	30	81.6 Å²	81.6	31%	0.309	42%	0.419	S	S	.	.			trans	-65	177	176.1	0	0	0	0	0	113.5	D309 I313	D309-G311 PolarHBondContact O-N 2.8Å; G311-I313 PolarHBondContact O-N 2.97Å
312	C	42.6	Very low	36.6	Very low	12 Å²	12	81 Å²	81	8%	0.081	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-57.5	119.5	179.1	-61.6	0	0	0	0	111	F247 C296 Y301	F247-C312 WeakPolarHBondContact O-CA 3.49Å; C296-C312 HydrophobicContact CB-CB 3.78Å; C296-C312 WeakPolarHBondContact CB-SG 3.3Å; C296-C312 WeakPolarHBondContact SG-CB 3.36Å; C296-C312 CovalentContact SG-SG 2.02Å; C296-C312 PolarHBondContact SG-SG 2.68Å; Y301-C312 HydrophobicContact CD2-CB 3.62Å; Y301-C312 WeakPolarHBondContact CD2-O 3.46Å; Y301-C312 VanDerWaalsContact CE2-O 3.27Å; Y301-C312 WeakPolarHBondContact CE2-O 3.42Å; Y301-C312 HydrophobicContact CG-CB 4.35Å
313	I	41.4	Very low	36.2	Very low	33 Å²	33	77 Å²	77	17%	0.169	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	148.6	177.3	55.2	171.3	0	0	0	111.5	F247 I249 V310 G311 M318	F247-I313 PolarHBondContact N-O 2.71Å; F247-I313 PolarHBondContact O-N 3.19Å; I249-I313 HydrophobicContact CD1-CD1 4.28Å; V310-I313 HydrophobicContact CG1-CG2 4.45Å; G311-I313 PolarHBondContact O-N 2.97Å; I313-M318 HydrophobicContact CD1-CB 3.97Å; I313-M318 HydrophobicContact CD1-CG 3.87Å; I313-M318 HydrophobicContact CD1-SD 4.36Å
314	S	42.7	Very low	35.8	Very low	42 Å²	42	76.1 Å²	76.1	29%	0.294	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	155.8	172.9	69.5	0	0	0	0	111.2	D316 A317 M318	S314-D316 PolarHBondContact O-N 3.09Å; S314-A317 PolarHBondContact O-N 3.01Å; S314-A317 PolarHBondContact OG-N 3Å; S314-M318 PolarHBondContact O-N 3.18Å
315	E	38.5	Very low	35.4	Very low	94 Å²	94	76.8 Å²	76.8	44%	0.439	40%	0.399	S	S	.	.	H	α-helix	trans	-50.9	-44.3	173.8	-169	-165.3	145.8	0	0	112	A317 M318 R319	E315-A317 PolarHBondContact O-N 3.37Å; E315-M318 WeakPolarHBondContact O-CB 3.2Å; E315-M318 PolarHBondContact O-N 3.16Å; E315-M318 VanDerWaalsContact O-N 3.16Å; E315-R319 WeakPolarHBondContact O-CG 3.49Å; E315-R319 PolarHBondContact O-N 2.9Å; E315-R319 IonicContact OE1-CZ 2.66Å; E315-R319 IonicContact OE1-NE 3.22Å; E315-R319 IonicContact OE1-NH2 3.88Å; E315-R319 PolarHBondContact OE1-NH2 2.88Å
316	D	38.4	Very low	35.5	Very low	89 Å²	89	81.7 Å²	81.7	48%	0.476	40%	0.404	S	S	.	.	H	α-helix	trans	-65.3	-38.8	-179	-68.7	-40.4	0	0	0	113.3	S314 M318 R319	S314-D316 PolarHBondContact O-N 3.09Å; D316-M318 VanDerWaalsContact C-N 3.32Å; D316-R319 WeakPolarHBondContact O-CB 3.1Å; D316-R319 PolarHBondContact O-N 3.47Å; D316-R319 IonicContact OD1-CZ 2.79Å; D316-R319 VanDerWaalsContact OD1-CZ 3.22Å; D316-R319 IonicContact OD1-NE 3.59Å; D316-R319 IonicContact OD1-NH1 3.57Å; D316-R319 PolarHBondContact OD1-NH1 2.95Å; D316-R319 IonicContact OD1-NH2 3.73Å
317	A	39	Very low	35.5	Very low	35 Å²	35	80.4 Å²	80.4	29%	0.289	41%	0.405	S	S	.	.	H	α-helix	trans	-65.4	-40.7	173.7	0	0	0	0	0	110.2	S314 E315 R319 I320 F321	S314-A317 PolarHBondContact O-N 3.01Å; S314-A317 PolarHBondContact OG-N 3Å; E315-A317 PolarHBondContact O-N 3.37Å; A317-R319 VanDerWaalsContact C-N 3.31Å; A317-R319 PolarHBondContact O-N 2.73Å; A317-I320 PolarHBondContact O-N 3Å; A317-I320 VanDerWaalsContact O-N 3.16Å; A317-F321 WeakPolarHBondContact O-CD2 3.39Å
318	M	39.2	Very low	35.8	Very low	40 Å²	40	81.5 Å²	81.5	20%	0.197	40%	0.4	C	S	.	.	H	α-helix	trans	-64.5	-32.4	-180	-156.6	174	57.9	0	0	113.1	F247 L293 I313 S314 E315 D316 I320 F321	F247-M318 HydrophobicContact CB-SD 3.94Å; F247-M318 HydrophobicContact CD1-CE 4.42Å; F247-M318 HydrophobicContact CD1-SD 4.34Å; F247-M318 HydrophobicContact CD2-CE 3.35Å; F247-M318 HydrophobicContact CD2-SD 3.54Å; F247-M318 VanDerWaalsContact CD2-SD 3.54Å; F247-M318 HydrophobicContact CE1-CE 4.35Å; F247-M318 HydrophobicContact CE2-CE 3.27Å; F247-M318 HydrophobicContact CE2-SD 4.11Å; F247-M318 HydrophobicContact CG-CE 3.96Å; F247-M318 HydrophobicContact CG-SD 3.68Å; F247-M318 HydrophobicContact CZ-CE 3.8Å; L293-M318 HydrophobicContact CD1-SD 4.43Å; L293-M318 HydrophobicContact CD2-SD 4.32Å; I313-M318 HydrophobicContact CD1-CB 3.97Å; I313-M318 HydrophobicContact CD1-CG 3.87Å; I313-M318 HydrophobicContact CD1-SD 4.36Å; S314-M318 PolarHBondContact O-N 3.18Å; E315-M318 WeakPolarHBondContact O-CB 3.2Å; E315-M318 PolarHBondContact O-N 3.16Å; E315-M318 VanDerWaalsContact O-N 3.16Å; D316-M318 VanDerWaalsContact C-N 3.32Å; M318-I320 PolarHBondContact O-N 2.98Å; M318-F321 PolarHBondContact O-N 3.26Å
319	R	35.9	Very low	36.2	Very low	155 Å²	155	71.5 Å²	71.5	59%	0.585	36%	0.363	S	S	*	.	H	α-helix	trans	-53.5	-20.5	173.8	-70.5	173.1	-174.2	177.4	-10.1	113.7	E315 D316 A317	E315-R319 WeakPolarHBondContact O-CG 3.49Å; E315-R319 PolarHBondContact O-N 2.9Å; E315-R319 IonicContact OE1-CZ 2.66Å; E315-R319 IonicContact OE1-NE 3.22Å; E315-R319 IonicContact OE1-NH2 3.88Å; E315-R319 PolarHBondContact OE1-NH2 2.88Å; D316-R319 WeakPolarHBondContact O-CB 3.1Å; D316-R319 PolarHBondContact O-N 3.47Å; D316-R319 IonicContact OD1-CZ 2.79Å; D316-R319 VanDerWaalsContact OD1-CZ 3.22Å; D316-R319 IonicContact OD1-NE 3.59Å; D316-R319 IonicContact OD1-NH1 3.57Å; D316-R319 PolarHBondContact OD1-NH1 2.95Å; D316-R319 IonicContact OD1-NH2 3.73Å; A317-R319 VanDerWaalsContact C-N 3.31Å; A317-R319 PolarHBondContact O-N 2.73Å
320	I	37.9	Very low	36.2	Very low	68 Å²	68	68 Å²	68	35%	0.349	34%	0.344	S	S	.	.	H	α-helix	trans	-110.5	-25.8	-170.6	-54.8	-179	0	0	0	112.4	A317 M318 T332 F376	A317-I320 PolarHBondContact O-N 3Å; A317-I320 VanDerWaalsContact O-N 3.16Å; M318-I320 PolarHBondContact O-N 2.98Å; I320-T332 PolarHBondContact O-OG1 3.07Å; I320-F376 HydrophobicContact CD1-CD1 3.68Å; I320-F376 HydrophobicContact CD1-CE1 3.25Å; I320-F376 HydrophobicContact CD1-CZ 4.05Å; I320-F376 HydrophobicContact CG1-CE1 4.42Å; I320-F376 HydrophobicContact CG2-CE1 3.98Å; I320-F376 HydrophobicContact CG2-CZ 3.94Å
321	F	35.4	Very low	36.3	Very low	19 Å²	19	65.8 Å²	65.8	8%	0.083	33%	0.331	C	S	.	.	H	α-helix	trans	-102.6	-16.2	-162	-86.7	-80.7	0	0	0	116.5	A317 M318 V331 Y333 F355 F376	A317-F321 WeakPolarHBondContact O-CD2 3.39Å; M318-F321 PolarHBondContact O-N 3.26Å; F321-V331 HydrophobicContact CD1-CG1 3.74Å; F321-V331 HydrophobicContact CE1-CG1 4.49Å; F321-V331 VanDerWaalsContact O-CA 3.31Å; F321-V331 WeakPolarHBondContact O-CA 3.29Å; F321-Y333 HydrophobicContact CE1-CD1 4.31Å; F321-F355 AromaticContact CE1-CE2 3.92Å; F321-F355 HydrophobicContact CE1-CE2 3.92Å; F321-F355 HydrophobicContact CE2-CE2 4.44Å; F321-F355 HydrophobicContact CE2-CZ 4.42Å; F321-F355 AromaticContact CZ-CE2 3.77Å; F321-F355 HydrophobicContact CZ-CE2 3.77Å; F321-F355 HydrophobicContact CZ-CZ 4.16Å; F321-F376 AromaticContact CE2-CE2 3.79Å; F321-F376 HydrophobicContact CE2-CE2 3.79Å; F321-F376 AromaticContact CE2-CZ 3.92Å; F321-F376 HydrophobicContact CE2-CZ 3.92Å; F321-F376 HydrophobicContact CZ-CE2 4.1Å; F321-F376 HydrophobicContact CZ-CZ 4.3Å
322	I	34.7	Very low	36	Very low	52 Å²	52	66.2 Å²	66.2	27%	0.267	33%	0.327	S	S	.	.			trans	-136.8	121.4	-169.4	-50.4	-179.5	0	0	0	112.5	I249 T329	I249-I322 HydrophobicContact CD1-CD1 3.91Å; I322-T329 HydrophobicContact CG2-CG2 3.51Å
323	Y	32.7	Very low	36	Very low	92 Å²	92	68.9 Å²	68.9	36%	0.361	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	150	160.3	82.6	-84.6	0	0	0	112.6	K325 L330 T332	Y323-K325 HydrophobicContact CD2-CB 4.47Å; Y323-K325 HydrophobicContact CE2-CB 3.9Å; Y323-L330 HydrophobicContact CD1-CB 4.21Å; Y323-L330 HydrophobicContact CE1-CB 3.85Å; Y323-L330 HydrophobicContact CE1-CD1 4.26Å; Y323-L330 HydrophobicContact CE2-CD1 3.9Å; Y323-L330 PolarHBondContact N-O 3.01Å; Y323-L330 VanDerWaalsContact N-O 3.17Å; Y323-L330 PolarHBondContact O-N 2.94Å; Y323-L330 WeakPolarHBondContact OH-CD1 3.06Å; Y323-T332 HydrophobicContact CE1-CG2 4.01Å
324	H	31.6	Very low	36.1	Very low	99 Å²	99	70.1 Å²	70.1	46%	0.458	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	127.8	177.4	-89.1	-70.6	0	0	0	111.4	E328 T329	H324-E328 WeakPolarHBondContact CA-O 3.32Å; H324-E328 PolarHBondContact ND1-O 3.11Å; H324-T329 PolarHBondContact CE1-OG1 3.19Å
325	K	31.7	Very low	36.5	Very low	97 Å²	97	70.8 Å²	70.8	42%	0.422	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.1	169.4	-171.9	179.4	179.8	-178.2	0	109.3	Y323 G327 E328 L330	Y323-K325 HydrophobicContact CD2-CB 4.47Å; Y323-K325 HydrophobicContact CE2-CB 3.9Å; K325-G327 PolarHBondContact O-N 2.99Å; K325-E328 PolarHBondContact N-O 3Å; K325-E328 PolarHBondContact O-N 2.92Å; K325-L330 HydrophobicContact CB-CD1 3.43Å; K325-L330 VanDerWaalsContact CB-CD1 3.43Å; K325-L330 HydrophobicContact CD-CD1 3.81Å; K325-L330 HydrophobicContact CG-CD1 4.25Å
326	R	33.6	Very low	36.9	Very low	222 Å²	222	68.7 Å²	68.7	84%	0.838	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	36.7	172.5	-64.6	-177.3	176.5	176	-2	114.5
327	G	30.4	Very low	37.6	Very low	53 Å²	53	64.4 Å²	64.4	55%	0.546	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	-1.1	-179.6	0	0	0	0	0	115.1	K325	K325-G327 PolarHBondContact O-N 2.99Å
328	E	31.4	Very low	37.9	Very low	82 Å²	82	64.2 Å²	64.2	38%	0.383	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	138.4	176.3	-62.6	178	162.4	0	0	110.3	I281 H324 K325	I281-E328 WeakPolarHBondContact CG2-OE2 3.45Å; H324-E328 WeakPolarHBondContact CA-O 3.32Å; H324-E328 PolarHBondContact ND1-O 3.11Å; K325-E328 PolarHBondContact N-O 3Å; K325-E328 PolarHBondContact O-N 2.92Å
329	T	33.6	Very low	38.2	Very low	19 Å²	19	70.2 Å²	70.2	12%	0.117	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	118.2	171.6	-48.5	0	0	0	0	108.4	I291 I322 H324	I291-T329 HydrophobicContact CD1-CG2 4.14Å; I322-T329 HydrophobicContact CG2-CG2 3.51Å; H324-T329 PolarHBondContact CE1-OG1 3.19Å
330	L	31.7	Very low	38.8	Very low	13 Å²	13	65.4 Å²	65.4	7%	0.068	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	133.4	177.7	-74.4	159.5	0	0	0	109.9	I281 Y323 K325	I281-L330 HydrophobicContact CG1-CD2 4.38Å; Y323-L330 HydrophobicContact CD1-CB 4.21Å; Y323-L330 HydrophobicContact CE1-CB 3.85Å; Y323-L330 HydrophobicContact CE1-CD1 4.26Å; Y323-L330 HydrophobicContact CE2-CD1 3.9Å; Y323-L330 PolarHBondContact N-O 3.01Å; Y323-L330 VanDerWaalsContact N-O 3.17Å; Y323-L330 PolarHBondContact O-N 2.94Å; Y323-L330 WeakPolarHBondContact OH-CD1 3.06Å; K325-L330 HydrophobicContact CB-CD1 3.43Å; K325-L330 VanDerWaalsContact CB-CD1 3.43Å; K325-L330 HydrophobicContact CD-CD1 3.81Å; K325-L330 HydrophobicContact CG-CD1 4.25Å
331	V	37	Very low	39.8	Very low	36 Å²	36	69 Å²	69	22%	0.218	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	120.2	173.1	-176.1	0	0	0	0	108.9	L282 F321 Y333	L282-V331 HydrophobicContact CD1-CG2 4.42Å; F321-V331 HydrophobicContact CD1-CG1 3.74Å; F321-V331 HydrophobicContact CE1-CG1 4.49Å; F321-V331 VanDerWaalsContact O-CA 3.31Å; F321-V331 WeakPolarHBondContact O-CA 3.29Å; V331-Y333 HydrophobicContact CG1-CE1 4.41Å; V331-Y333 HydrophobicContact CG1-CE2 4.5Å
332	T	37.3	Very low	41.1	Very low	38 Å²	38	74.6 Å²	74.6	23%	0.233	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	131.3	175.2	36.2	0	0	0	0	110.8	V277 I320 Y323	V277-T332 HydrophobicContact CG1-CG2 4.23Å; I320-T332 PolarHBondContact O-OG1 3.07Å; Y323-T332 HydrophobicContact CE1-CG2 4.01Å
333	Y	42	Very low	42.1	Very low	69 Å²	69	72.6 Å²	72.6	27%	0.271	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-98.6	139.1	174.5	-58.1	-84.3	0	0	0	110.8	I280 F321 V331 V352 C353	I280-Y333 HydrophobicContact CD1-CE2 4.04Å; I280-Y333 HydrophobicContact CG1-CE2 4.44Å; F321-Y333 HydrophobicContact CE1-CD1 4.31Å; V331-Y333 HydrophobicContact CG1-CE1 4.41Å; V331-Y333 HydrophobicContact CG1-CE2 4.5Å; Y333-V352 HydrophobicContact CG-CG2 4.28Å; Y333-C353 VanDerWaalsContact CD1-O 3.32Å; Y333-C353 WeakPolarHBondContact CD1-O 3.31Å
334	K	44.1	Very low	44	Very low	58 Å²	58	73.3 Å²	73.3	25%	0.252	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-74.3	143.6	171.9	-170.1	-178.8	175.3	-165.3	0	109.3	T336 T337 V352 C353 C375 F376	K334-T336 VanDerWaalsContact CD-O 3.24Å; K334-T336 WeakPolarHBondContact CD-O 3.4Å; K334-T336 WeakPolarHBondContact CE-O 3.45Å; K334-T336 WeakPolarHBondContact CE-OG1 3.47Å; K334-T336 WeakPolarHBondContact CG-O 3.43Å; K334-T336 PolarHBondContact NZ-O 3.39Å; K334-T337 PolarHBondContact NZ-O 3.27Å; K334-V352 CarbonylContact O-C 3.53Å; K334-C353 HydrophobicContact CB-CB 4.34Å; K334-C353 WeakPolarHBondContact O-CB 3.41Å; K334-C353 PolarHBondContact O-N 3.08Å; K334-C353 PolarHBondContact O-SG 3.29Å; K334-C375 PolarHBondContact NZ-O 3.31Å; K334-F376 HydrophobicContact CB-CZ 4.27Å; K334-F376 HydrophobicContact CD-CD1 4.34Å; K334-F376 HydrophobicContact CD-CE1 3.68Å; K334-F376 HydrophobicContact CD-CZ 4.12Å
335	K	49.8	Very low	45.5	Very low	57 Å²	57	70.6 Å²	70.6	25%	0.248	36%	0.357	C	S	.	.			trans	-107.5	9.2	175.6	-67.3	-153.9	-171.1	166.9	0	114.1	N276 C343 A351 V352	N276-K335 VanDerWaalsContact C-CE 3.45Å; N276-K335 WeakPolarHBondContact O-CD 3.3Å; N276-K335 WeakPolarHBondContact O-CE 2.9Å; N276-K335 VanDerWaalsContact O-CG 3.24Å; N276-K335 WeakPolarHBondContact O-CG 3.14Å; N276-K335 PolarHBondContact O-NZ 2.95Å; K335-C343 WeakPolarHBondContact O-CB 2.96Å; K335-C343 PolarHBondContact O-N 3.05Å; K335-C343 PolarHBondContact O-SG 3.5Å; K335-C343 VanDerWaalsContact O-SG 3.35Å; K335-A351 WeakPolarHBondContact CD-O 3.42Å; K335-A351 WeakPolarHBondContact CG-O 3.37Å; K335-V352 HydrophobicContact CD-CG1 4.29Å; K335-V352 HydrophobicContact CG-CG1 3.97Å
336	T	47.8	Very low	47	Very low	49 Å²	49	70.3 Å²	70.3	30%	0.301	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-130.8	148.5	-178.7	52.3	0	0	0	0	110.7	K334 R341 E342	K334-T336 VanDerWaalsContact CD-O 3.24Å; K334-T336 WeakPolarHBondContact CD-O 3.4Å; K334-T336 WeakPolarHBondContact CE-O 3.45Å; K334-T336 WeakPolarHBondContact CE-OG1 3.47Å; K334-T336 WeakPolarHBondContact CG-O 3.43Å; K334-T336 PolarHBondContact NZ-O 3.39Å; T336-R341 CarbonylContact C-O 3.55Å; T336-R341 WeakPolarHBondContact CA-O 3.26Å; T336-E342 HydrophobicContact CG2-CG 4.48Å
337	T	53.1	Low	48	Very low	0 Å²	0	68.3 Å²	68.3	0%	0	37%	0.366	C	S	.	.			trans	-71.8	173.9	177.7	72	0	0	0	0	110.6	K334 Y339 G340 R341 T367 Q373 C375	K334-T337 PolarHBondContact NZ-O 3.27Å; T337-Y339 PolarHBondContact O-N 2.83Å; T337-Y339 PolarHBondContact OG1-N 2.65Å; T337-G340 PolarHBondContact O-N 3.33Å; T337-G340 VanDerWaalsContact O-N 3.12Å; T337-R341 HydrophobicContact CG2-CB 4.18Å; T337-R341 PolarHBondContact N-O 2.82Å; T337-R341 PolarHBondContact OG1-N 3.39Å; T337-T367 HydrophobicContact CG2-CG2 3.62Å; T337-Q373 HydrophobicContact CG2-CB 3.55Å; T337-Q373 HydrophobicContact CG2-CG 4.34Å; T337-Q373 PolarHBondContact OG1-OE1 3.22Å; T337-C375 CarbonylContact C-O 3.43Å
338	A	46	Very low	48.9	Very low	30 Å²	30	71.5 Å²	71.5	25%	0.248	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-27.8	171.2	0	0	0	0	0	111.9	P374 C375 F376	A338-P374 WeakPolarHBondContact CB-O 3.42Å; A338-P374 PolarHBondContact N-O 3.47Å; A338-C375 PolarHBondContact N-O 2.95Å; A338-F376 VanDerWaalsContact CB-C 3.45Å
339	Y	45.4	Very low	49.7	Very low	166 Å²	166	68.7 Å²	68.7	65%	0.651	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	10.7	-178.5	-48.5	-73.5	0	0	0	113.1	T337 R341 P374	T337-Y339 PolarHBondContact O-N 2.83Å; T337-Y339 PolarHBondContact OG1-N 2.65Å; Y339-R341 VanDerWaalsContact C-N 3.32Å; Y339-R341 PolarHBondContact O-N 3.4Å; Y339-P374 HydrophobicContact CE2-CG 4.12Å
340	G	47.3	Very low	50.7	Low	54 Å²	54	70.7 Å²	70.7	56%	0.557	38%	0.377	S	S	*	.	S	Bend	trans	77.9	5.9	176.2	0	0	0	0	0	115.7	T337	T337-G340 PolarHBondContact O-N 3.33Å; T337-G340 VanDerWaalsContact O-N 3.12Å
341	R	58.5	Low	52.4	Low	143 Å²	143	71.8 Å²	71.8	54%	0.54	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-74.3	141.5	175.1	-66.1	-171.2	177.4	-178	-3	110.5	T336 T337 Y339 T367	T336-R341 CarbonylContact C-O 3.55Å; T336-R341 WeakPolarHBondContact CA-O 3.26Å; T337-R341 HydrophobicContact CG2-CB 4.18Å; T337-R341 PolarHBondContact N-O 2.82Å; T337-R341 PolarHBondContact OG1-N 3.39Å; Y339-R341 VanDerWaalsContact C-N 3.32Å; Y339-R341 PolarHBondContact O-N 3.4Å; R341-T367 HydrophobicContact CB-CG2 4.21Å
342	E	63.6	Low	53.3	Low	138 Å²	138	70.5 Å²	70.5	65%	0.645	38%	0.38	S	S	*	.	B	Isolated β-bridge	trans	-67.9	134.5	174.1	-68.5	-167.6	151.9	0	0	111.1	T336	T336-E342 HydrophobicContact CG2-CG 4.48Å
343	C	56.6	Low	53.9	Low	10 Å²	10	68.7 Å²	68.7	7%	0.068	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-68.9	128.4	170.8	-61.4	0	0	0	0	109	K335 A351 C365 H366	K335-C343 WeakPolarHBondContact O-CB 2.96Å; K335-C343 PolarHBondContact O-N 3.05Å; K335-C343 PolarHBondContact O-SG 3.5Å; K335-C343 VanDerWaalsContact O-SG 3.35Å; C343-A351 WeakPolarHBondContact O-CB 3.29Å; C343-C365 VanDerWaalsContact CA-SG 3.56Å; C343-C365 HydrophobicContact CB-CB 3.56Å; C343-C365 WeakPolarHBondContact CB-SG 3.45Å; C343-C365 WeakPolarHBondContact SG-CB 3.37Å; C343-C365 CovalentContact SG-SG 2.03Å; C343-C365 PolarHBondContact SG-SG 2.98Å; C343-H366 CarbonylContact C-O 3.52Å; C343-H366 VanDerWaalsContact CA-O 3.32Å; C343-H366 WeakPolarHBondContact CA-O 3.23Å
344	K	71.5	Confident	54.3	Low	107 Å²	107	68.7 Å²	68.7	47%	0.465	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-101.6	135.1	172.1	-71.1	-170	174.2	176.8	0	109.2	H366 E368	K344-H366 PolarHBondContact N-O 2.89Å; K344-H366 WeakPolarHBondContact O-CB 3.01Å; K344-E368 HydrophobicContact CD-CG 4.37Å; K344-E368 IonicContact NZ-OE1 2.7Å; K344-E368 PolarHBondContact NZ-OE1 2.88Å
345	G	62.3	Low	54.3	Low	41 Å²	41	71 Å²	71	42%	0.423	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-95.9	159.9	174.4	0	0	0	0	0	111.8	T349	G345-T349 CarbonylContact C-O 3.6Å; G345-T349 WeakPolarHBondContact CA-O 3.13Å
346	N	63.6	Low	54	Low	92 Å²	92	71.9 Å²	71.9	49%	0.492	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-118.9	-176.3	165	73.3	10.6	0	0	0	109.7	T348 T349	N346-T348 PolarHBondContact O-N 3.15Å; N346-T348 WeakPolarHBondContact OD1-CA 3.46Å; N346-T348 PolarHBondContact OD1-N 3.18Å; N346-T348 PolarHBondContact OD1-OG1 2.93Å; N346-T349 PolarHBondContact N-O 3.11Å; N346-T349 PolarHBondContact N-OG1 3.29Å; N346-T349 PolarHBondContact O-N 3.1Å; N346-T349 VanDerWaalsContact O-O 3.04Å; N346-T349 WeakPolarHBondContact OD1-CB 3.47Å; N346-T349 PolarHBondContact OD1-N 2.78Å; N346-T349 PolarHBondContact OD1-OG1 3.06Å
347	D	55.8	Low	53.3	Low	179 Å²	179	73.8 Å²	73.8	96%	0.957	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-19	-179.8	-66.7	-28.2	0	0	0	114.2
348	T	48.3	Very low	52.6	Low	120 Å²	120	77.8 Å²	77.8	74%	0.736	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	-15	-177.6	58.8	0	0	0	0	114.3	N346	N346-T348 PolarHBondContact O-N 3.15Å; N346-T348 WeakPolarHBondContact OD1-CA 3.46Å; N346-T348 PolarHBondContact OD1-N 3.18Å; N346-T348 PolarHBondContact OD1-OG1 2.93Å
349	T	49.4	Very low	51.9	Low	24 Å²	24	79.2 Å²	79.2	15%	0.147	45%	0.452	C	S	.	.	B	Isolated β-bridge	trans	-130.2	118.9	-173.3	56.7	0	0	0	0	110.1	G345 N346 M354	G345-T349 CarbonylContact C-O 3.6Å; G345-T349 WeakPolarHBondContact CA-O 3.13Å; N346-T349 PolarHBondContact N-O 3.11Å; N346-T349 PolarHBondContact N-OG1 3.29Å; N346-T349 PolarHBondContact O-N 3.1Å; N346-T349 VanDerWaalsContact O-O 3.04Å; N346-T349 WeakPolarHBondContact OD1-CB 3.47Å; N346-T349 PolarHBondContact OD1-N 2.78Å; N346-T349 PolarHBondContact OD1-OG1 3.06Å; T349-M354 HydrophobicContact CG2-CE 4.15Å
350	P	53.1	Low	51.2	Low	61 Å²	61	78.8 Å²	78.8	40%	0.396	45%	0.454	S	S	.	.			trans	-64	151.7	176.4	24.5	-34.1	0	0	0	111.9	V352 M354	P350-V352 HydrophobicContact CB-CG2 3.92Å; P350-V352 HydrophobicContact CG-CG2 3.84Å; P350-V352 PolarHBondContact O-N 3.16Å; P350-M354 WeakPolarHBondContact CD-SD 3.37Å; P350-M354 HydrophobicContact CG-CG 4.37Å; P350-M354 HydrophobicContact CG-SD 3.57Å; P350-M354 VanDerWaalsContact CG-SD 3.57Å
351	A	68	Low	50.9	Low	36 Å²	36	79.4 Å²	79.4	30%	0.298	44%	0.442	S	S	.	.	S	Bend	trans	-72.9	48.8	176.9	0	0	0	0	0	112.6	K335 C343	K335-A351 WeakPolarHBondContact CD-O 3.42Å; K335-A351 WeakPolarHBondContact CG-O 3.37Å; C343-A351 WeakPolarHBondContact O-CB 3.29Å
352	V	56.3	Low	50.1	Low	8 Å²	8	76.8 Å²	76.8	5%	0.048	44%	0.438	C	S	.	.	S	Bend	trans	-141	160.4	-177	-53.5	0	0	0	0	109.1	Y333 K334 K335 P350 M354	Y333-V352 HydrophobicContact CG-CG2 4.28Å; K334-V352 CarbonylContact O-C 3.53Å; K335-V352 HydrophobicContact CD-CG1 4.29Å; K335-V352 HydrophobicContact CG-CG1 3.97Å; P350-V352 HydrophobicContact CB-CG2 3.92Å; P350-V352 HydrophobicContact CG-CG2 3.84Å; P350-V352 PolarHBondContact O-N 3.16Å; V352-M354 HydrophobicContact CG2-CG 4.35Å; V352-M354 PolarHBondContact O-N 3Å
353	C	50.4	Low	49.4	Very low	1 Å²	1	71 Å²	71	1%	0.007	41%	0.412	C	S	.	.			trans	-64.3	122.5	172.1	-65.4	0	0	0	0	110.9	Y333 K334 C375	Y333-C353 VanDerWaalsContact CD1-O 3.32Å; Y333-C353 WeakPolarHBondContact CD1-O 3.31Å; K334-C353 HydrophobicContact CB-CB 4.34Å; K334-C353 WeakPolarHBondContact O-CB 3.41Å; K334-C353 PolarHBondContact O-N 3.08Å; K334-C353 PolarHBondContact O-SG 3.29Å; C353-C375 VanDerWaalsContact CA-SG 3.6Å; C353-C375 HydrophobicContact CB-CB 3.68Å; C353-C375 WeakPolarHBondContact CB-SG 3.43Å; C353-C375 WeakPolarHBondContact SG-CB 3.43Å; C353-C375 CovalentContact SG-SG 2Å; C353-C375 PolarHBondContact SG-SG 2.95Å
354	M	49.7	Very low	49.5	Very low	69 Å²	69	71.7 Å²	71.7	34%	0.34	42%	0.418	S	S	.	.	B	Isolated β-bridge	trans	-114.3	153.4	178.6	-55.6	-148.4	-44.1	0	0	111	T349 P350 V352 P363 S364	T349-M354 HydrophobicContact CG2-CE 4.15Å; P350-M354 WeakPolarHBondContact CD-SD 3.37Å; P350-M354 HydrophobicContact CG-CG 4.37Å; P350-M354 HydrophobicContact CG-SD 3.57Å; P350-M354 VanDerWaalsContact CG-SD 3.57Å; V352-M354 HydrophobicContact CG2-CG 4.35Å; V352-M354 PolarHBondContact O-N 3Å; M354-P363 WeakPolarHBondContact O-CA 3.2Å; M354-S364 PolarHBondContact N-O 3.02Å; M354-S364 PolarHBondContact O-N 3.26Å
355	F	44	Very low	48.8	Very low	107 Å²	107	67 Å²	67	47%	0.469	40%	0.398	S	S	.	.			trans	-88.6	132.2	157.1	-67.7	-92.3	0	0	0	107.1	F321 P363	F321-F355 AromaticContact CE1-CE2 3.92Å; F321-F355 HydrophobicContact CE1-CE2 3.92Å; F321-F355 HydrophobicContact CE2-CE2 4.44Å; F321-F355 HydrophobicContact CE2-CZ 4.42Å; F321-F355 AromaticContact CZ-CE2 3.77Å; F321-F355 HydrophobicContact CZ-CE2 3.77Å; F321-F355 HydrophobicContact CZ-CZ 4.16Å; F355-P363 HydrophobicContact CD1-CG 4.14Å; F355-P363 HydrophobicContact CE1-CB 4.45Å; F355-P363 HydrophobicContact CE1-CG 3.53Å; F355-P363 HydrophobicContact CE2-CG 4.19Å; F355-P363 HydrophobicContact CZ-CB 4.43Å; F355-P363 HydrophobicContact CZ-CG 3.57Å
356	N	43.1	Very low	48.8	Very low	75 Å²	75	67.1 Å²	67.1	40%	0.401	39%	0.387	S	S	.	.			trans	-65.3	144.1	166.8	-166.3	-5	0	0	0	109.2	T358 G359 E361	N356-T358 PolarHBondContact O-N 3.07Å; N356-G359 PolarHBondContact O-N 3.5Å; N356-G359 VanDerWaalsContact O-N 3.09Å; N356-E361 HydrophobicContact CB-CB 4.24Å; N356-E361 HydrophobicContact CB-CG 4.42Å; N356-E361 WeakPolarHBondContact CB-OE2 3.47Å; N356-E361 VanDerWaalsContact ND2-CD 3.31Å; N356-E361 PolarHBondContact ND2-OE1 3.04Å; N356-E361 PolarHBondContact ND2-OE2 3.32Å
357	A	34.4	Very low	49.2	Very low	88 Å²	88	63.1 Å²	63.1	73%	0.727	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-12.8	-175	0	0	0	0	0	113.4	G359	A357-G359 PolarHBondContact O-N 2.94Å
358	T	37.1	Very low	49.7	Very low	85 Å²	85	61 Å²	61	52%	0.521	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-4.2	175.6	53.2	0	0	0	0	113.6	N356 K360 E361	N356-T358 PolarHBondContact O-N 3.07Å; T358-K360 PolarHBondContact O-N 3.47Å; T358-E361 PolarHBondContact OG1-OE1 3.24Å
359	G	30.7	Very low	50.3	Low	59 Å²	59	58.2 Å²	58.2	61%	0.608	35%	0.346	S	S	*	.	S	Bend	trans	69.7	-3.9	165.1	0	0	0	0	0	116.5	N356 A357	N356-G359 PolarHBondContact O-N 3.5Å; N356-G359 VanDerWaalsContact O-N 3.09Å; A357-G359 PolarHBondContact O-N 2.94Å
360	K	32.2	Very low	50.4	Low	158 Å²	158	61.8 Å²	61.8	69%	0.687	37%	0.37	S	S	*	.			trans	-100.7	-6.4	180	-73.5	-173.3	174.5	-177.1	0	114.5	P306 T358	P306-K360 HydrophobicContact CB-CD 4.41Å; P306-K360 VanDerWaalsContact CB-CE 3.49Å; P306-K360 HydrophobicContact CB-CG 4.08Å; P306-K360 HydrophobicContact CG-CD 4.3Å; P306-K360 HydrophobicContact CG-CG 4.4Å; T358-K360 PolarHBondContact O-N 3.47Å
361	E	39.8	Very low	50.1	Low	67 Å²	67	61.6 Å²	61.6	31%	0.313	37%	0.365	S	S	.	.	S	Bend	trans	-99	139.5	-166.7	-70.4	168.6	-142.8	0	0	111.8	N356 T358	N356-E361 HydrophobicContact CB-CB 4.24Å; N356-E361 HydrophobicContact CB-CG 4.42Å; N356-E361 WeakPolarHBondContact CB-OE2 3.47Å; N356-E361 VanDerWaalsContact ND2-CD 3.31Å; N356-E361 PolarHBondContact ND2-OE1 3.04Å; N356-E361 PolarHBondContact ND2-OE2 3.32Å; T358-E361 PolarHBondContact OG1-OE1 3.24Å
362	I	42.5	Very low	49.4	Very low	87 Å²	87	62.7 Å²	62.7	45%	0.446	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-61.4	138.2	171.7	-57.5	176.2	0	0	0	107.3	S364 P374 V378	I362-S364 PolarHBondContact O-N 2.87Å; I362-S364 VanDerWaalsContact O-N 3.09Å; I362-P374 HydrophobicContact CG2-CB 4.3Å; I362-V378 HydrophobicContact CD1-CB 4.38Å; I362-V378 HydrophobicContact CD1-CG1 3.88Å; I362-V378 HydrophobicContact CD1-CG2 3.54Å; I362-V378 HydrophobicContact CG2-CG2 4.29Å
363	P	49.2	Very low	49.1	Very low	17 Å²	17	63.9 Å²	63.9	11%	0.11	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-50.2	123.6	178	-19.1	22.6	0	0	0	110.3	M354 F355 C375 F376	M354-P363 WeakPolarHBondContact O-CA 3.2Å; F355-P363 HydrophobicContact CD1-CG 4.14Å; F355-P363 HydrophobicContact CE1-CB 4.45Å; F355-P363 HydrophobicContact CE1-CG 3.53Å; F355-P363 HydrophobicContact CE2-CG 4.19Å; F355-P363 HydrophobicContact CZ-CB 4.43Å; F355-P363 HydrophobicContact CZ-CG 3.57Å; P363-C375 HydrophobicContact CB-CB 4.36Å; P363-C375 WeakPolarHBondContact O-CB 3.38Å; P363-C375 PolarHBondContact O-N 3.26Å; P363-F376 HydrophobicContact CB-CD2 3.99Å; P363-F376 HydrophobicContact CB-CE2 3.82Å; P363-F376 HydrophobicContact CG-CD2 3.87Å; P363-F376 HydrophobicContact CG-CE2 3.85Å
364	S	57.2	Low	49	Very low	25 Å²	25	65.7 Å²	65.7	18%	0.175	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	162.6	-174	67.5	0	0	0	0	110.6	M354 I362 I372 Q373	M354-S364 PolarHBondContact N-O 3.02Å; M354-S364 PolarHBondContact O-N 3.26Å; I362-S364 PolarHBondContact O-N 2.87Å; I362-S364 VanDerWaalsContact O-N 3.09Å; S364-I372 WeakPolarHBondContact OG-CG2 3.25Å; S364-Q373 CarbonylContact C-O 3.56Å; S364-Q373 WeakPolarHBondContact CA-O 3.49Å; S364-Q373 VanDerWaalsContact CB-O 3.3Å; S364-Q373 WeakPolarHBondContact CB-O 2.89Å
365	C	58	Low	49	Very low	7 Å²	7	62.4 Å²	62.4	5%	0.047	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	156.4	173.6	70.5	0	0	0	0	111.7	C343 I372 Q373	C343-C365 VanDerWaalsContact CA-SG 3.56Å; C343-C365 HydrophobicContact CB-CB 3.56Å; C343-C365 WeakPolarHBondContact CB-SG 3.45Å; C343-C365 WeakPolarHBondContact SG-CB 3.37Å; C343-C365 CovalentContact SG-SG 2.03Å; C343-C365 PolarHBondContact SG-SG 2.98Å; C365-I372 WeakPolarHBondContact O-CA 3.41Å; C365-Q373 PolarHBondContact N-O 3.13Å; C365-Q373 PolarHBondContact O-N 3.32Å
366	H	62.4	Low	48.9	Very low	45 Å²	45	59 Å²	59	21%	0.208	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	143.9	173.3	-71.4	-78.8	0	0	0	111.2	C343 K344 N371 I372	C343-H366 CarbonylContact C-O 3.52Å; C343-H366 VanDerWaalsContact CA-O 3.32Å; C343-H366 WeakPolarHBondContact CA-O 3.23Å; K344-H366 PolarHBondContact N-O 2.89Å; K344-H366 WeakPolarHBondContact O-CB 3.01Å; H366-N371 CarbonylContact C-O 3.51Å; H366-N371 VanDerWaalsContact CA-O 3.26Å; H366-N371 WeakPolarHBondContact CA-O 3.43Å; H366-I372 WeakPolarHBondContact CE1-CG1 3.46Å; H366-I372 WeakPolarHBondContact ND1-CG1 3.31Å
367	T	70.8	Confident	48.6	Very low	8 Å²	8	60 Å²	60	5%	0.049	36%	0.362	C	S	.	.			trans	-117.5	-144.8	170.3	58.7	0	0	0	0	108.4	T337 R341 G369 N371 Q373	T337-T367 HydrophobicContact CG2-CG2 3.62Å; R341-T367 HydrophobicContact CB-CG2 4.21Å; T367-G369 PolarHBondContact O-N 2.99Å; T367-N371 PolarHBondContact N-O 3.39Å; T367-N371 VanDerWaalsContact OG1-CB 3.25Å; T367-N371 WeakPolarHBondContact OG1-CB 3.22Å; T367-N371 PolarHBondContact OG1-O 3.03Å; T367-Q373 HydrophobicContact CG2-CB 4.37Å; T367-Q373 HydrophobicContact CG2-CG 4.09Å
368	E	68.1	Low	48.5	Very low	133 Å²	133	60 Å²	60	62%	0.621	35%	0.353	S	S	*	.	S	Bend	trans	-69.5	130.8	-179.8	-60.3	-156.8	136.5	0	0	112.4	K344 N371	K344-E368 HydrophobicContact CD-CG 4.37Å; K344-E368 IonicContact NZ-OE1 2.7Å; K344-E368 PolarHBondContact NZ-OE1 2.88Å; E368-N371 WeakPolarHBondContact O-CB 3.25Å; E368-N371 PolarHBondContact O-ND2 3.06Å
369	G	61	Low	48.2	Very low	63 Å²	63	61.2 Å²	61.2	65%	0.649	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	-143.5	-178.2	0	0	0	0	0	112.2	T367 N371	T367-G369 PolarHBondContact O-N 2.99Å; G369-N371 PolarHBondContact O-N 2.67Å
370	P	50.7	Low	47.9	Very low	99 Å²	99	69.3 Å²	69.3	64%	0.643	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	0.8	178.8	32.1	-34.4	0	0	0	113.8	I372	P370-I372 PolarHBondContact O-N 2.09Å
371	N	47.1	Very low	47.5	Very low	56 Å²	56	66.2 Å²	66.2	30%	0.299	36%	0.362	S	S	.	.			trans	-67.1	129.5	-171.4	-70.8	-41.5	0	0	0	112.6	H366 T367 E368 G369 N452	H366-N371 CarbonylContact C-O 3.51Å; H366-N371 VanDerWaalsContact CA-O 3.26Å; H366-N371 WeakPolarHBondContact CA-O 3.43Å; T367-N371 PolarHBondContact N-O 3.39Å; T367-N371 VanDerWaalsContact OG1-CB 3.25Å; T367-N371 WeakPolarHBondContact OG1-CB 3.22Å; T367-N371 PolarHBondContact OG1-O 3.03Å; E368-N371 WeakPolarHBondContact O-CB 3.25Å; E368-N371 PolarHBondContact O-ND2 3.06Å; G369-N371 PolarHBondContact O-N 2.67Å; N371-N452 PolarHBondContact OD1-ND2 2.88Å
372	I	52.3	Low	46.7	Very low	59 Å²	59	70.1 Å²	70.1	30%	0.303	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.9	173.3	-63	169.3	0	0	0	108.7	S364 C365 H366 P370	S364-I372 WeakPolarHBondContact OG-CG2 3.25Å; C365-I372 WeakPolarHBondContact O-CA 3.41Å; H366-I372 WeakPolarHBondContact CE1-CG1 3.46Å; H366-I372 WeakPolarHBondContact ND1-CG1 3.31Å; P370-I372 PolarHBondContact O-N 2.09Å
373	Q	51	Low	46.1	Very low	34 Å²	34	69.7 Å²	69.7	16%	0.159	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	146.7	178	-69	-168.7	-11.8	0	0	111.8	T337 S364 C365 T367	T337-Q373 HydrophobicContact CG2-CB 3.55Å; T337-Q373 HydrophobicContact CG2-CG 4.34Å; T337-Q373 PolarHBondContact OG1-OE1 3.22Å; S364-Q373 CarbonylContact C-O 3.56Å; S364-Q373 WeakPolarHBondContact CA-O 3.49Å; S364-Q373 VanDerWaalsContact CB-O 3.3Å; S364-Q373 WeakPolarHBondContact CB-O 2.89Å; C365-Q373 PolarHBondContact N-O 3.13Å; C365-Q373 PolarHBondContact O-N 3.32Å; T367-Q373 HydrophobicContact CG2-CB 4.37Å; T367-Q373 HydrophobicContact CG2-CG 4.09Å
374	P	48.3	Very low	45	Very low	38 Å²	38	73.6 Å²	73.6	25%	0.247	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	139	173.1	28.5	-34.2	0	0	0	109.6	A338 Y339 I362	A338-P374 WeakPolarHBondContact CB-O 3.42Å; A338-P374 PolarHBondContact N-O 3.47Å; Y339-P374 HydrophobicContact CE2-CG 4.12Å; I362-P374 HydrophobicContact CG2-CB 4.3Å
375	C	48.8	Very low	43.7	Very low	0 Å²	0	78.5 Å²	78.5	0%	0	42%	0.424	C	S	.	.	S	Bend	trans	-81.2	-19.9	179.5	-73.4	0	0	0	0	113.6	K334 T337 A338 C353 P363	K334-C375 PolarHBondContact NZ-O 3.31Å; T337-C375 CarbonylContact C-O 3.43Å; A338-C375 PolarHBondContact N-O 2.95Å; C353-C375 VanDerWaalsContact CA-SG 3.6Å; C353-C375 HydrophobicContact CB-CB 3.68Å; C353-C375 WeakPolarHBondContact CB-SG 3.43Å; C353-C375 WeakPolarHBondContact SG-CB 3.43Å; C353-C375 CovalentContact SG-SG 2Å; C353-C375 PolarHBondContact SG-SG 2.95Å; P363-C375 HydrophobicContact CB-CB 4.36Å; P363-C375 WeakPolarHBondContact O-CB 3.38Å; P363-C375 PolarHBondContact O-N 3.26Å
376	F	43.3	Very low	42.3	Very low	37 Å²	37	83.1 Å²	83.1	16%	0.162	45%	0.447	C	S	.	.	S	Bend	trans	-127.6	145.1	180	-55.5	-73.4	0	0	0	110.3	I320 F321 K334 A338 P363 V378	I320-F376 HydrophobicContact CD1-CD1 3.68Å; I320-F376 HydrophobicContact CD1-CE1 3.25Å; I320-F376 HydrophobicContact CD1-CZ 4.05Å; I320-F376 HydrophobicContact CG1-CE1 4.42Å; I320-F376 HydrophobicContact CG2-CE1 3.98Å; I320-F376 HydrophobicContact CG2-CZ 3.94Å; F321-F376 AromaticContact CE2-CE2 3.79Å; F321-F376 HydrophobicContact CE2-CE2 3.79Å; F321-F376 AromaticContact CE2-CZ 3.92Å; F321-F376 HydrophobicContact CE2-CZ 3.92Å; F321-F376 HydrophobicContact CZ-CE2 4.1Å; F321-F376 HydrophobicContact CZ-CZ 4.3Å; K334-F376 HydrophobicContact CB-CZ 4.27Å; K334-F376 HydrophobicContact CD-CD1 4.34Å; K334-F376 HydrophobicContact CD-CE1 3.68Å; K334-F376 HydrophobicContact CD-CZ 4.12Å; A338-F376 VanDerWaalsContact CB-C 3.45Å; P363-F376 HydrophobicContact CB-CD2 3.99Å; P363-F376 HydrophobicContact CB-CE2 3.82Å; P363-F376 HydrophobicContact CG-CD2 3.87Å; P363-F376 HydrophobicContact CG-CE2 3.85Å; F376-V378 PolarHBondContact O-N 3.09Å
377	P	36.7	Very low	40.4	Very low	96 Å²	96	84.8 Å²	84.8	62%	0.623	46%	0.458	S	S	*	.			trans	-60.6	126.2	171.3	22.8	-29.3	0	0	0	109.4	C379	P377-C379 PolarHBondContact O-N 2.79Å
378	V	32.2	Very low	38.3	Very low	88 Å²	88	90.6 Å²	90.6	53%	0.533	48%	0.484	S	S	.	.			trans	-80.4	100.5	-179.9	-170.4	0	0	0	0	108.4	I362 F376 R380	I362-V378 HydrophobicContact CD1-CB 4.38Å; I362-V378 HydrophobicContact CD1-CG1 3.88Å; I362-V378 HydrophobicContact CD1-CG2 3.54Å; I362-V378 HydrophobicContact CG2-CG2 4.29Å; F376-V378 PolarHBondContact O-N 3.09Å; V378-R380 PolarHBondContact O-N 3.27Å
379	C	29	Very low	36.3	Very low	110 Å²	110	88.8 Å²	88.8	74%	0.743	48%	0.478	S	S	*	.			trans	-82.8	108.1	170.4	-62.9	0	0	0	0	108.3	P377 K381	P377-C379 PolarHBondContact O-N 2.79Å; C379-K381 PolarHBondContact O-N 3.46Å
380	R	25.4	Very low	34.4	Very low	228 Å²	228	94.7 Å²	94.7	86%	0.86	48%	0.481	S	S	*	.			trans	-61.2	122.4	170.2	-89.9	-173.1	178.3	-178.4	-2.1	108.7	V378 H382	V378-R380 PolarHBondContact O-N 3.27Å; R380-H382 PolarHBondContact O-N 3.35Å
381	K	24.8	Very low	33.1	Very low	94 Å²	94	97.5 Å²	97.5	41%	0.409	49%	0.485	S	S	.	.			trans	-59.3	134.4	176.9	-162.9	179.3	179.9	-170.3	0	109.1	E298 Y301 C379 D383	E298-K381 WeakPolarHBondContact OE1-CE 3.31Å; E298-K381 IonicContact OE1-NZ 3.71Å; E298-K381 PolarHBondContact OE1-NZ 3.27Å; Y301-K381 HydrophobicContact CE1-CD 4.44Å; C379-K381 PolarHBondContact O-N 3.46Å; K381-D383 PolarHBondContact O-N 3.04Å
382	H	23.1	Very low	32.2	Very low	149 Å²	149	99.6 Å²	99.6	69%	0.69	50%	0.496	S	S	*	.			trans	-13.3	93.7	167	-76	-81.1	0	0	0	114.9	R380 P384	R380-H382 PolarHBondContact O-N 3.35Å; H382-P384 WeakPolarHBondContact O-CD 3.4Å
383	D	28.3	Very low	31	Very low	78 Å²	78	99.8 Å²	99.8	42%	0.417	51%	0.512	S	S	.	.			trans	-82.1	116.3	154.4	-166.8	-23.2	0	0	0	106.9	K381 Q385 L386	K381-D383 PolarHBondContact O-N 3.04Å; D383-Q385 PolarHBondContact O-N 3.16Å; D383-Q385 VanDerWaalsContact OD1-CB 3.29Å; D383-Q385 WeakPolarHBondContact OD1-CB 3.49Å; D383-Q385 VanDerWaalsContact OD1-CG 3.3Å; D383-Q385 WeakPolarHBondContact OD1-CG 2.93Å; D383-Q385 PolarHBondContact OD1-N 3.05Å; D383-L386 HydrophobicContact CB-CD1 4.18Å; D383-L386 HydrophobicContact CB-CG 4.39Å; D383-L386 PolarHBondContact O-N 3.49Å
384	P	26.5	Very low	29.9	Very low	98 Å²	98	107.4 Å²	107.4	64%	0.636	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-53.4	-22.3	173	-22.9	33.4	0	0	0	113.1	H382 L386 N387	H382-P384 WeakPolarHBondContact O-CD 3.4Å; P384-L386 PolarHBondContact O-N 3.37Å; P384-N387 WeakPolarHBondContact O-CB 3.45Å; P384-N387 PolarHBondContact O-N 3.21Å; P384-N387 PolarHBondContact O-ND2 2.75Å
385	Q	30.7	Very low	29.5	Very low	129 Å²	129	111.6 Å²	111.6	60%	0.603	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-71.4	-16	177.9	-58.7	-166.7	20	0	0	113.5	D383 N387	D383-Q385 PolarHBondContact O-N 3.16Å; D383-Q385 VanDerWaalsContact OD1-CB 3.29Å; D383-Q385 WeakPolarHBondContact OD1-CB 3.49Å; D383-Q385 VanDerWaalsContact OD1-CG 3.3Å; D383-Q385 WeakPolarHBondContact OD1-CG 2.93Å; D383-Q385 PolarHBondContact OD1-N 3.05Å; Q385-N387 VanDerWaalsContact C-N 3.34Å
386	L	27.5	Very low	29.1	Very low	103 Å²	103	115.7 Å²	115.7	54%	0.539	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-88.9	5.7	173.9	-67.8	165.9	0	0	0	113.3	D383 P384 H388 I389	D383-L386 HydrophobicContact CB-CD1 4.18Å; D383-L386 HydrophobicContact CB-CG 4.39Å; D383-L386 PolarHBondContact O-N 3.49Å; P384-L386 PolarHBondContact O-N 3.37Å; L386-H388 PolarHBondContact O-N 3.28Å; L386-H388 VanDerWaalsContact O-N 3.15Å; L386-I389 HydrophobicContact CB-CD1 4.42Å; L386-I389 HydrophobicContact CD2-CD1 3.5Å; L386-I389 VanDerWaalsContact CD2-CD1 3.5Å; L386-I389 HydrophobicContact CD2-CG1 4.47Å; L386-I389 WeakPolarHBondContact O-CB 3.31Å; L386-I389 PolarHBondContact O-N 3.33Å
387	N	23.9	Very low	29	Very low	81 Å²	81	123.3 Å²	123.3	43%	0.433	60%	0.604	S	S	.	*	G	3₁₀ helix	trans	-61.8	-20.6	179.2	-91.2	-25.5	0	0	0	114	P384 Q385 I389 R390	P384-N387 WeakPolarHBondContact O-CB 3.45Å; P384-N387 PolarHBondContact O-N 3.21Å; P384-N387 PolarHBondContact O-ND2 2.75Å; Q385-N387 VanDerWaalsContact C-N 3.34Å; N387-I389 PolarHBondContact O-N 2.99Å; N387-R390 WeakPolarHBondContact O-CB 3.09Å; N387-R390 PolarHBondContact O-N 3.16Å; N387-R390 VanDerWaalsContact O-N 3.14Å
388	H	26.1	Very low	29.4	Very low	129 Å²	129	126.4 Å²	126.4	60%	0.597	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-69.1	-12	173.9	-49.7	-61.5	0	0	0	112.9	L386	L386-H388 PolarHBondContact O-N 3.28Å; L386-H388 VanDerWaalsContact O-N 3.15Å
389	I	25.8	Very low	29.8	Very low	95 Å²	95	126.7 Å²	126.7	49%	0.487	60%	0.603	S	S	.	*	G	3₁₀ helix	trans	-89.7	-6.1	175.9	-47.7	-178	0	0	0	111.5	L386 N387 H391	L386-I389 HydrophobicContact CB-CD1 4.42Å; L386-I389 HydrophobicContact CD2-CD1 3.5Å; L386-I389 VanDerWaalsContact CD2-CD1 3.5Å; L386-I389 HydrophobicContact CD2-CG1 4.47Å; L386-I389 WeakPolarHBondContact O-CB 3.31Å; L386-I389 PolarHBondContact O-N 3.33Å; N387-I389 PolarHBondContact O-N 2.99Å; I389-H391 PolarHBondContact O-N 2.89Å
390	R	21.5	Very low	30.4	Very low	188 Å²	188	123 Å²	123	71%	0.709	58%	0.576	S	S	*	*			trans	-80.1	-12.8	-175.6	-122.9	-177.2	-172.8	-152.5	1.3	114.9	N387 L392	N387-R390 WeakPolarHBondContact O-CB 3.09Å; N387-R390 PolarHBondContact O-N 3.16Å; N387-R390 VanDerWaalsContact O-N 3.14Å; R390-L392 PolarHBondContact O-N 3.47Å
391	H	22.4	Very low	31.3	Very low	157 Å²	157	116.3 Å²	116.3	73%	0.727	55%	0.554	S	S	*	*	S	Bend	trans	-92.4	102.1	172.3	-62.3	-69.9	0	0	0	107.6	I389	I389-H391 PolarHBondContact O-N 2.89Å
392	L	27.8	Very low	32.4	Very low	101 Å²	101	115.2 Å²	115.2	53%	0.529	56%	0.556	S	S	.	*			trans	157.9	86	149.5	-80.4	161.8	0	0	0	106.8	R390 R395 F418	R390-L392 PolarHBondContact O-N 3.47Å; L392-R395 VanDerWaalsContact CD2-NH1 3.32Å; L392-F418 HydrophobicContact CD1-CD2 4.45Å
393	G	27.3	Very low	33.3	Very low	62 Å²	62	111.1 Å²	111.1	64%	0.639	54%	0.538	S	S	*	.			trans	-59.3	175	170.3	0	0	0	0	0	112.2	R395	G393-R395 PolarHBondContact O-N 3Å
394	Y	29.6	Very low	34	Very low	194 Å²	194	111.3 Å²	111.3	76%	0.761	54%	0.536	S	S	*	.			trans	-39	123.5	174.7	-70.4	-88.6	0	0	0	111.8
395	R	38.4	Very low	34.9	Very low	127 Å²	127	109.5 Å²	109.5	48%	0.479	53%	0.526	S	S	.	.			trans	-115.5	135.5	170.7	-71.7	-168.6	167.7	172.2	-5	109.8	L392 G393 E399 L400	L392-R395 VanDerWaalsContact CD2-NH1 3.32Å; G393-R395 PolarHBondContact O-N 3Å; R395-E399 WeakPolarHBondContact CA-OE2 3.41Å; R395-E399 HydrophobicContact CB-CB 4.35Å; R395-L400 HydrophobicContact CB-CG 4.35Å
396	T	41.3	Very low	35.5	Very low	85 Å²	85	109.7 Å²	109.7	52%	0.521	53%	0.525	S	S	.	.			trans	-72.7	158.9	173.4	62.1	0	0	0	0	110.4	K398 E399 L400	T396-K398 PolarHBondContact O-N 3.05Å; T396-E399 PolarHBondContact N-OE2 3.41Å; T396-E399 PolarHBondContact O-N 3.31Å; T396-E399 VanDerWaalsContact O-N 3.11Å; T396-E399 WeakPolarHBondContact OG1-CG 3.38Å; T396-E399 PolarHBondContact OG1-N 3.21Å; T396-E399 PolarHBondContact OG1-OE2 3.15Å; T396-E399 VanDerWaalsContact OG1-OE2 3.06Å; T396-L400 PolarHBondContact O-N 3.49Å; T396-L400 VanDerWaalsContact O-N 3.1Å
397	R	40.9	Very low	36	Very low	197 Å²	197	105.8 Å²	105.8	74%	0.743	51%	0.507	S	S	*	.	H	α-helix	trans	-51.7	-40.6	175.7	-178.8	174.3	-177.3	151.2	3.4	112.4	E399 L400 E401	R397-E399 PolarHBondContact O-N 3.48Å; R397-L400 WeakPolarHBondContact O-CB 3.46Å; R397-L400 PolarHBondContact O-N 2.99Å; R397-E401 HydrophobicContact CG-CG 4.45Å; R397-E401 WeakPolarHBondContact CG-OE1 3.38Å; R397-E401 IonicContact CZ-OE1 3.94Å; R397-E401 IonicContact NE-OE1 3.44Å; R397-E401 PolarHBondContact NE-OE1 2.85Å; R397-E401 WeakPolarHBondContact O-CG 3.07Å; R397-E401 PolarHBondContact O-N 3.26Å
398	K	44.2	Very low	36.9	Very low	162 Å²	162	105.9 Å²	105.9	70%	0.704	52%	0.515	S	S	*	.	H	α-helix	trans	-67	-37.5	-178.8	-149.9	174.8	-172.7	178.9	0	112.4	T396 T402	T396-K398 PolarHBondContact O-N 3.05Å; K398-T402 WeakPolarHBondContact O-CB 3.46Å; K398-T402 PolarHBondContact O-N 3.09Å; K398-T402 PolarHBondContact O-OG1 2.89Å
399	E	42.4	Very low	37.5	Very low	94 Å²	94	107.1 Å²	107.1	44%	0.439	52%	0.521	S	S	.	.	H	α-helix	trans	-67.2	-41.9	174.2	-71.1	167.7	140.9	0	0	111.2	R395 T396 R397 T402 I403	R395-E399 WeakPolarHBondContact CA-OE2 3.41Å; R395-E399 HydrophobicContact CB-CB 4.35Å; T396-E399 PolarHBondContact N-OE2 3.41Å; T396-E399 PolarHBondContact O-N 3.31Å; T396-E399 VanDerWaalsContact O-N 3.11Å; T396-E399 WeakPolarHBondContact OG1-CG 3.38Å; T396-E399 PolarHBondContact OG1-N 3.21Å; T396-E399 PolarHBondContact OG1-OE2 3.15Å; T396-E399 VanDerWaalsContact OG1-OE2 3.06Å; R397-E399 PolarHBondContact O-N 3.48Å; E399-T402 WeakPolarHBondContact O-CB 3.33Å; E399-T402 PolarHBondContact O-N 3.22Å; E399-I403 WeakPolarHBondContact O-CD1 3.45Å; E399-I403 WeakPolarHBondContact O-CG1 3.2Å; E399-I403 PolarHBondContact O-N 3.04Å
400	L	41.6	Very low	38.2	Very low	31 Å²	31	110 Å²	110	16%	0.162	53%	0.532	C	S	.	.	H	α-helix	trans	-61	-47.9	175	-82	159.7	0	0	0	112	R395 T396 R397 T402 I403 E404 I416	R395-L400 HydrophobicContact CB-CG 4.35Å; T396-L400 PolarHBondContact O-N 3.49Å; T396-L400 VanDerWaalsContact O-N 3.1Å; R397-L400 WeakPolarHBondContact O-CB 3.46Å; R397-L400 PolarHBondContact O-N 2.99Å; L400-T402 VanDerWaalsContact C-N 3.25Å; L400-T402 PolarHBondContact O-N 2.99Å; L400-I403 PolarHBondContact O-N 3.34Å; L400-I403 VanDerWaalsContact O-N 3.08Å; L400-E404 WeakPolarHBondContact O-CG 3.23Å; L400-E404 PolarHBondContact O-N 3.02Å; L400-I416 HydrophobicContact CD2-CD1 3.94Å
401	E	44	Very low	38.7	Very low	89 Å²	89	104.3 Å²	104.3	42%	0.416	53%	0.531	S	S	.	.	H	α-helix	trans	-60.3	-36.3	175.9	-73.2	168	-178.6	0	0	111.5	R397 S405	R397-E401 HydrophobicContact CG-CG 4.45Å; R397-E401 WeakPolarHBondContact CG-OE1 3.38Å; R397-E401 IonicContact CZ-OE1 3.94Å; R397-E401 IonicContact NE-OE1 3.44Å; R397-E401 PolarHBondContact NE-OE1 2.85Å; R397-E401 WeakPolarHBondContact O-CG 3.07Å; R397-E401 PolarHBondContact O-N 3.26Å; E401-S405 WeakPolarHBondContact O-CB 3.27Å; E401-S405 PolarHBondContact O-N 2.93Å
402	T	46.5	Very low	39	Very low	71 Å²	71	100.1 Å²	100.1	44%	0.436	52%	0.517	S	S	.	.	H	α-helix	trans	-67.7	-37.2	175.7	-51.2	0	0	0	0	111.8	K398 E399 L400 K406	K398-T402 WeakPolarHBondContact O-CB 3.46Å; K398-T402 PolarHBondContact O-N 3.09Å; K398-T402 PolarHBondContact O-OG1 2.89Å; E399-T402 WeakPolarHBondContact O-CB 3.33Å; E399-T402 PolarHBondContact O-N 3.22Å; L400-T402 VanDerWaalsContact C-N 3.25Å; L400-T402 PolarHBondContact O-N 2.99Å; T402-K406 WeakPolarHBondContact O-CB 3.45Å; T402-K406 WeakPolarHBondContact O-CG 3.28Å; T402-K406 PolarHBondContact O-N 3.38Å
403	I	42.6	Very low	38.9	Very low	63 Å²	63	99 Å²	99	32%	0.323	52%	0.515	S	S	.	.	H	α-helix	trans	-72	-44	177.6	-65.9	151.7	0	0	0	110.6	E399 L400 S405 K406 A407	E399-I403 WeakPolarHBondContact O-CD1 3.45Å; E399-I403 WeakPolarHBondContact O-CG1 3.2Å; E399-I403 PolarHBondContact O-N 3.04Å; L400-I403 PolarHBondContact O-N 3.34Å; L400-I403 VanDerWaalsContact O-N 3.08Å; I403-S405 VanDerWaalsContact C-N 3.29Å; I403-S405 PolarHBondContact O-N 2.95Å; I403-K406 PolarHBondContact O-N 3.09Å; I403-A407 VanDerWaalsContact O-CB 3.3Å; I403-A407 WeakPolarHBondContact O-CB 3.3Å; I403-A407 PolarHBondContact O-N 3.24Å
404	E	42.3	Very low	38.9	Very low	81 Å²	81	99.7 Å²	99.7	38%	0.379	51%	0.509	S	S	.	.	H	α-helix	trans	-60.3	-42.9	174.9	-73.8	179	166.4	0	0	110.6	L400 A407 S408 P414 I416	L400-E404 WeakPolarHBondContact O-CG 3.23Å; L400-E404 PolarHBondContact O-N 3.02Å; E404-A407 PolarHBondContact O-N 2.81Å; E404-S408 VanDerWaalsContact O-CB 3.28Å; E404-S408 WeakPolarHBondContact O-CB 3.1Å; E404-S408 PolarHBondContact O-N 3.3Å; E404-P414 HydrophobicContact CB-CB 4.49Å; E404-P414 HydrophobicContact CG-CB 4.06Å; E404-I416 WeakPolarHBondContact OE1-CD1 3.44Å
405	S	46.8	Very low	38.8	Very low	60 Å²	60	96.9 Å²	96.9	42%	0.42	50%	0.501	S	S	.	.	H	α-helix	trans	-60.8	-46.8	174.5	-179.9	0	0	0	0	112	E401 I403 S408 Q409	E401-S405 WeakPolarHBondContact O-CB 3.27Å; E401-S405 PolarHBondContact O-N 2.93Å; I403-S405 VanDerWaalsContact C-N 3.29Å; I403-S405 PolarHBondContact O-N 2.95Å; S405-S408 PolarHBondContact O-N 3.42Å; S405-Q409 VanDerWaalsContact O-CG 3.31Å; S405-Q409 WeakPolarHBondContact O-CG 3.24Å; S405-Q409 PolarHBondContact O-N 2.84Å
406	K	43.4	Very low	38.3	Very low	133 Å²	133	93.6 Å²	93.6	58%	0.578	49%	0.492	S	S	*	.	H	α-helix	trans	-66.5	-40.4	177.3	-78.4	-176.5	176.6	-176.1	0	113	T402 I403 Q409 Q410	T402-K406 WeakPolarHBondContact O-CB 3.45Å; T402-K406 WeakPolarHBondContact O-CG 3.28Å; T402-K406 PolarHBondContact O-N 3.38Å; I403-K406 PolarHBondContact O-N 3.09Å; K406-Q409 PolarHBondContact O-N 2.7Å; K406-Q410 WeakPolarHBondContact O-CG 3.38Å; K406-Q410 PolarHBondContact O-N 2.74Å; K406-Q410 VanDerWaalsContact O-N 3.16Å
407	A	37.5	Very low	37.5	Very low	21 Å²	21	95.3 Å²	95.3	17%	0.174	50%	0.497	C	S	.	.	H	α-helix	trans	-63.9	-45.2	177.2	0	0	0	0	0	110.7	I403 E404 Q409 Q410 G411 V412	I403-A407 VanDerWaalsContact O-CB 3.3Å; I403-A407 WeakPolarHBondContact O-CB 3.3Å; I403-A407 PolarHBondContact O-N 3.24Å; E404-A407 PolarHBondContact O-N 2.81Å; A407-Q409 VanDerWaalsContact C-N 3.31Å; A407-Q409 PolarHBondContact O-N 2.86Å; A407-Q410 PolarHBondContact O-N 2.98Å; A407-Q410 VanDerWaalsContact O-N 3.09Å; A407-G411 PolarHBondContact O-N 2.7Å; A407-V412 CarbonylContact C-O 3.56Å; A407-V412 PolarHBondContact O-N 3.4Å
408	S	42.2	Very low	36.9	Very low	84 Å²	84	90.3 Å²	90.3	59%	0.587	48%	0.481	S	S	*	.	H	α-helix	trans	-63.1	-35.9	176.2	-166.2	0	0	0	0	112.4	E404 S405 Q410 G411	E404-S408 VanDerWaalsContact O-CB 3.28Å; E404-S408 WeakPolarHBondContact O-CB 3.1Å; E404-S408 PolarHBondContact O-N 3.3Å; S405-S408 PolarHBondContact O-N 3.42Å; S408-Q410 VanDerWaalsContact C-N 3.28Å; S408-Q410 PolarHBondContact O-N 3.23Å; S408-G411 PolarHBondContact O-N 3.27Å
409	Q	40.2	Very low	36	Very low	155 Å²	155	86.6 Å²	86.6	72%	0.724	47%	0.474	S	S	*	.	H	α-helix	trans	-67.5	-28.2	175	-77.2	174.7	6.6	0	0	112.8	S405 K406 A407 G411	S405-Q409 VanDerWaalsContact O-CG 3.31Å; S405-Q409 WeakPolarHBondContact O-CG 3.24Å; S405-Q409 PolarHBondContact O-N 2.84Å; K406-Q409 PolarHBondContact O-N 2.7Å; A407-Q409 VanDerWaalsContact C-N 3.31Å; A407-Q409 PolarHBondContact O-N 2.86Å; Q409-G411 VanDerWaalsContact C-N 3.27Å
410	Q	39.1	Very low	35.4	Very low	156 Å²	156	83.8 Å²	83.8	73%	0.729	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	5.6	176.2	-69	-179.1	-14.2	0	0	113.1	K406 A407 S408 V412	K406-Q410 WeakPolarHBondContact O-CG 3.38Å; K406-Q410 PolarHBondContact O-N 2.74Å; K406-Q410 VanDerWaalsContact O-N 3.16Å; A407-Q410 PolarHBondContact O-N 2.98Å; A407-Q410 VanDerWaalsContact O-N 3.09Å; S408-Q410 VanDerWaalsContact C-N 3.28Å; S408-Q410 PolarHBondContact O-N 3.23Å; Q410-V412 HydrophobicContact CB-CG2 3.96Å; Q410-V412 PolarHBondContact O-N 3.31Å
411	G	32	Very low	34.8	Very low	67 Å²	67	90.2 Å²	90.2	69%	0.691	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	10.5	-175.4	0	0	0	0	0	113.6	A407 S408 Q409	A407-G411 PolarHBondContact O-N 2.7Å; S408-G411 PolarHBondContact O-N 3.27Å; Q409-G411 VanDerWaalsContact C-N 3.27Å
412	V	28.1	Very low	34.1	Very low	70 Å²	70	92.5 Å²	92.5	42%	0.424	49%	0.491	S	S	.	.			trans	-88.2	119.9	175.5	-167.8	0	0	0	0	106.8	A407 Q410	A407-V412 CarbonylContact C-O 3.56Å; A407-V412 PolarHBondContact O-N 3.4Å; Q410-V412 HydrophobicContact CB-CG2 3.96Å; Q410-V412 PolarHBondContact O-N 3.31Å
413	P	27.2	Very low	33.4	Very low	76 Å²	76	96.3 Å²	96.3	49%	0.494	50%	0.502	S	S	.	.			trans	-53.9	144.7	172.8	-19.6	29.8	0	0	0	108.9	F415	P413-F415 HydrophobicContact CB-CD2 3.82Å; P413-F415 HydrophobicContact CB-CE2 3.71Å; P413-F415 HydrophobicContact CG-CD2 4.25Å; P413-F415 HydrophobicContact CG-CE2 3.83Å; P413-F415 WeakPolarHBondContact O-CD2 3.12Å; P413-F415 PolarHBondContact O-N 2.94Å
414	P	27	Very low	32.6	Very low	77 Å²	77	99.1 Å²	99.1	50%	0.5	51%	0.514	S	S	.	.			trans	-66.9	75	-179.3	27.2	-33.8	0	0	0	110.2	E404 I416	E404-P414 HydrophobicContact CB-CB 4.49Å; E404-P414 HydrophobicContact CG-CB 4.06Å; P414-I416 VanDerWaalsContact C-N 3.27Å; P414-I416 PolarHBondContact O-N 3.31Å
415	F	28.2	Very low	32.1	Very low	135 Å²	135	104.1 Å²	104.1	59%	0.592	54%	0.537	S	S	*	.			trans	-79.2	83.8	171.3	-81.2	-77.4	0	0	0	106.7	P413 L417	P413-F415 HydrophobicContact CB-CD2 3.82Å; P413-F415 HydrophobicContact CB-CE2 3.71Å; P413-F415 HydrophobicContact CG-CD2 4.25Å; P413-F415 HydrophobicContact CG-CE2 3.83Å; P413-F415 WeakPolarHBondContact O-CD2 3.12Å; P413-F415 PolarHBondContact O-N 2.94Å; F415-L417 HydrophobicContact CB-CG 4.23Å; F415-L417 PolarHBondContact O-N 3.09Å
416	I	26.8	Very low	31.2	Very low	59 Å²	59	104.7 Å²	104.7	30%	0.303	55%	0.552	S	S	.	*			trans	-67.4	89.2	157.9	-59.8	173.7	0	0	0	105.5	L400 E404 P414 F418 Q436	L400-I416 HydrophobicContact CD2-CD1 3.94Å; E404-I416 WeakPolarHBondContact OE1-CD1 3.44Å; P414-I416 VanDerWaalsContact C-N 3.27Å; P414-I416 PolarHBondContact O-N 3.31Å; I416-F418 WeakPolarHBondContact CG2-O 3.45Å; I416-F418 PolarHBondContact O-N 2.91Å; I416-F418 VanDerWaalsContact O-N 3.12Å; I416-Q436 PolarHBondContact O-NE2 3.29Å; I416-Q436 VanDerWaalsContact O-NE2 3.09Å
417	L	25.6	Very low	30.2	Very low	120 Å²	120	106.7 Å²	106.7	63%	0.628	56%	0.558	S	S	*	*			trans	-66.7	-3.9	-176.2	-86.1	162.5	0	0	0	113.8	F415	F415-L417 HydrophobicContact CB-CG 4.23Å; F415-L417 PolarHBondContact O-N 3.09Å
418	F	27.2	Very low	29.7	Very low	92 Å²	92	111.7 Å²	111.7	40%	0.404	58%	0.578	S	S	.	*	S	Bend	trans	-142.4	140.2	-169.8	-56.9	-72.7	0	0	0	113.1	L392 I416 S420	L392-F418 HydrophobicContact CD1-CD2 4.45Å; I416-F418 WeakPolarHBondContact CG2-O 3.45Å; I416-F418 PolarHBondContact O-N 2.91Å; I416-F418 VanDerWaalsContact O-N 3.12Å; F418-S420 PolarHBondContact O-N 2.94Å; F418-S420 VanDerWaalsContact O-N 3.14Å
419	P	26.6	Very low	29	Very low	85 Å²	85	110.3 Å²	110.3	55%	0.552	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-58.9	117.4	-178.1	22.8	-32.4	0	0	0	110.3
420	S	28.9	Very low	28.5	Very low	35 Å²	35	109.1 Å²	109.1	25%	0.245	56%	0.558	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-88	131.6	176.5	-75	0	0	0	0	110	F418 C431	F418-S420 PolarHBondContact O-N 2.94Å; F418-S420 VanDerWaalsContact O-N 3.14Å; S420-C431 PolarHBondContact N-O 2.81Å; S420-C431 PolarHBondContact O-N 2.92Å; S420-C431 VanDerWaalsContact O-N 3.11Å
421	R	28	Very low	27.7	Very low	165 Å²	165	102.8 Å²	102.8	62%	0.623	53%	0.531	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	124.3	171.6	-79.8	179.2	170.7	174.7	-3.7	109.5
422	R	29.8	Very low	27.5	Very low	137 Å²	137	100.9 Å²	100.9	52%	0.517	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.1	169.6	-56.2	-159.8	-98.7	-127.8	3.7	109	V429 C431	R422-V429 PolarHBondContact N-O 3.28Å; R422-V429 VanDerWaalsContact N-O 3.08Å; R422-V429 PolarHBondContact O-N 2.85Å; R422-V429 VanDerWaalsContact O-O 3.1Å; R422-C431 HydrophobicContact CG-CB 4.22Å; R422-C431 VanDerWaalsContact CZ-CB 3.43Å; R422-C431 VanDerWaalsContact CZ-SG 3.55Å; R422-C431 VanDerWaalsContact NE-CB 3.29Å; R422-C431 PolarHBondContact NE-SG 3.09Å; R422-C431 PolarHBondContact NH2-SG 2.87Å; R422-C431 VanDerWaalsContact NH2-SG 3.35Å
423	K	32	Very low	27.3	Very low	152 Å²	152	101.9 Å²	101.9	66%	0.661	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	107.4	166.6	-106.8	-174.8	177	-177.9	0	106.8	E428	K423-E428 HydrophobicContact CG-CG 4.45Å
424	E	26.6	Very low	27.3	Very low	122 Å²	122	107 Å²	107	57%	0.57	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.6	168.5	-98.1	170.3	178.2	0	0	107.3	G426 Y427 V429	E424-G426 VanDerWaalsContact C-N 3.29Å; E424-G426 PolarHBondContact O-N 3.48Å; E424-Y427 PolarHBondContact N-O 2.03Å; E424-Y427 PolarHBondContact O-N 2.93Å; E424-V429 HydrophobicContact CB-CG2 4.39Å
425	E	30.3	Very low	27.2	Very low	185 Å²	185	110.4 Å²	110.4	86%	0.864	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	39.9	168.3	-55.4	-166.7	158.9	0	0	116.1	Y427	E425-Y427 VanDerWaalsContact C-N 3.26Å; E425-Y427 VanDerWaalsContact O-CD2 3.27Å; E425-Y427 WeakPolarHBondContact O-CD2 3.35Å; E425-Y427 PolarHBondContact O-N 3.34Å
426	G	28.5	Very low	27.1	Very low	72 Å²	72	106.4 Å²	106.4	74%	0.742	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	-2.1	176.8	0	0	0	0	0	114.7	E424	E424-G426 VanDerWaalsContact C-N 3.29Å; E424-G426 PolarHBondContact O-N 3.48Å
427	Y	23.5	Very low	27.1	Very low	175 Å²	175	111 Å²	111	69%	0.686	54%	0.541	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	140.4	172.7	-57.6	-82	0	0	0	110.6	E424 E425 V429	E424-Y427 PolarHBondContact N-O 2.03Å; E424-Y427 PolarHBondContact O-N 2.93Å; E425-Y427 VanDerWaalsContact C-N 3.26Å; E425-Y427 VanDerWaalsContact O-CD2 3.27Å; E425-Y427 WeakPolarHBondContact O-CD2 3.35Å; E425-Y427 PolarHBondContact O-N 3.34Å; Y427-V429 PolarHBondContact O-N 3.49Å
428	E	26.2	Very low	27.1	Very low	127 Å²	127	107.1 Å²	107.1	59%	0.593	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	106.2	172.1	-62.8	-169.9	158.1	0	0	108.6	K423	K423-E428 HydrophobicContact CG-CG 4.45Å
429	V	27.2	Very low	27.2	Very low	55 Å²	55	108.8 Å²	108.8	33%	0.333	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	114.6	179	-170.5	0	0	0	0	108.4	R422 E424 Y427 C431	R422-V429 PolarHBondContact N-O 3.28Å; R422-V429 VanDerWaalsContact N-O 3.08Å; R422-V429 PolarHBondContact O-N 2.85Å; R422-V429 VanDerWaalsContact O-O 3.1Å; E424-V429 HydrophobicContact CB-CG2 4.39Å; Y427-V429 PolarHBondContact O-N 3.49Å; V429-C431 PolarHBondContact O-N 2.88Å
430	F	29.4	Very low	27.2	Very low	129 Å²	129	111.8 Å²	111.8	57%	0.566	55%	0.546	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	108.1	172	-67.6	-95.1	0	0	0	108.1	G432	F430-G432 PolarHBondContact O-N 3.15Å
431	C	23.3	Very low	27.2	Very low	24 Å²	24	115 Å²	115	16%	0.162	56%	0.555	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.7	96.7	179.5	-68.6	0	0	0	0	109.7	S420 R422 V429	S420-C431 PolarHBondContact N-O 2.81Å; S420-C431 PolarHBondContact O-N 2.92Å; S420-C431 VanDerWaalsContact O-N 3.11Å; R422-C431 HydrophobicContact CG-CB 4.22Å; R422-C431 VanDerWaalsContact CZ-CB 3.43Å; R422-C431 VanDerWaalsContact CZ-SG 3.55Å; R422-C431 VanDerWaalsContact NE-CB 3.29Å; R422-C431 PolarHBondContact NE-SG 3.09Å; R422-C431 PolarHBondContact NH2-SG 2.87Å; R422-C431 VanDerWaalsContact NH2-SG 3.35Å; V429-C431 PolarHBondContact O-N 2.88Å
432	G	26.4	Very low	27.2	Very low	27 Å²	27	115 Å²	115	28%	0.278	56%	0.56	S	S	.	*			trans	-126.7	131.9	154.7	0	0	0	0	0	109.6	F430	F430-G432 PolarHBondContact O-N 3.15Å
433	T	25.3	Very low	27.2	Very low	91 Å²	91	112.6 Å²	112.6	56%	0.558	56%	0.555	S	S	*	*			trans	-62.3	154.4	176.5	58.9	0	0	0	0	108.9	M435 Q436	T433-M435 PolarHBondContact O-N 2.81Å; T433-Q436 WeakPolarHBondContact O-CB 3.27Å; T433-Q436 PolarHBondContact O-N 3.02Å
434	K	26.6	Very low	26.7	Very low	184 Å²	184	108 Å²	108	80%	0.8	54%	0.537	S	S	*	.	H	α-helix	trans	-49.3	-17.9	174.5	-139.4	171.7	-175.3	173.8	0	113.4
435	M	24.4	Very low	26.7	Very low	148 Å²	148	106.1 Å²	106.1	73%	0.729	54%	0.535	S	S	*	.	H	α-helix	trans	-76.3	-31.5	172.6	-104.2	-173.7	157.4	0	0	114.9	T433 A438 H439	T433-M435 PolarHBondContact O-N 2.81Å; M435-A438 PolarHBondContact O-N 2.93Å; M435-A438 VanDerWaalsContact O-N 3.14Å; M435-H439 PolarHBondContact O-N 2.89Å
436	Q	26.6	Very low	26.4	Very low	51 Å²	51	99.9 Å²	99.9	24%	0.238	52%	0.52	C	S	.	.	H	α-helix	trans	-70.4	-35.9	-174.8	-70.5	-176.2	-10.1	0	0	112.5	I416 T433	I416-Q436 PolarHBondContact O-NE2 3.29Å; I416-Q436 VanDerWaalsContact O-NE2 3.09Å; T433-Q436 WeakPolarHBondContact O-CB 3.27Å; T433-Q436 PolarHBondContact O-N 3.02Å
437	Y	26.4	Very low	26.3	Very low	154 Å²	154	102 Å²	102	60%	0.604	52%	0.515	S	S	*	.	H	α-helix	trans	-69.9	-39.2	168.2	-75.2	-81	0	0	0	111	H439 F441	Y437-H439 VanDerWaalsContact C-N 3.28Å; Y437-H439 PolarHBondContact O-N 3.44Å; Y437-F441 HydrophobicContact CD1-CD2 4.16Å; Y437-F441 AromaticContact CD1-CE2 3.92Å; Y437-F441 HydrophobicContact CD1-CE2 3.92Å; Y437-F441 VanDerWaalsContact O-CB 3.29Å; Y437-F441 WeakPolarHBondContact O-CB 3.32Å; Y437-F441 WeakPolarHBondContact O-CD2 3.48Å; Y437-F441 PolarHBondContact O-N 2.86Å
438	A	26.7	Very low	26.2	Very low	39 Å²	39	99.4 Å²	99.4	32%	0.322	52%	0.517	S	S	.	.	H	α-helix	trans	-65.3	-27.1	-179.3	0	0	0	0	0	114	M435 F441 K442	M435-A438 PolarHBondContact O-N 2.93Å; M435-A438 VanDerWaalsContact O-N 3.14Å; A438-F441 CarbonylContact O-C 3.59Å; A438-K442 VanDerWaalsContact O-CA 3.26Å; A438-K442 WeakPolarHBondContact O-CA 3.39Å; A438-K442 PolarHBondContact O-N 3.43Å
439	H	29	Very low	26	Very low	127 Å²	127	101 Å²	101	59%	0.588	53%	0.525	S	S	*	.	H	α-helix	trans	-83.9	-35.2	-176.6	-147.3	-39.8	0	0	0	113.7	M435 Y437	M435-H439 PolarHBondContact O-N 2.89Å; Y437-H439 VanDerWaalsContact C-N 3.28Å; Y437-H439 PolarHBondContact O-N 3.44Å
440	L	25.8	Very low	25.6	Very low	149 Å²	149	104.2 Å²	104.2	78%	0.78	55%	0.548	S	S	*	.	H	α-helix	trans	-77.7	-28.1	171.8	-85.9	155.3	0	0	0	112
441	F	28.9	Very low	25.1	Very low	102 Å²	102	105.7 Å²	105.7	45%	0.447	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.7	30.2	179	-60.6	-74.6	0	0	0	112.5	Y437 A438 Q443 L444	Y437-F441 HydrophobicContact CD1-CD2 4.16Å; Y437-F441 AromaticContact CD1-CE2 3.92Å; Y437-F441 HydrophobicContact CD1-CE2 3.92Å; Y437-F441 VanDerWaalsContact O-CB 3.29Å; Y437-F441 WeakPolarHBondContact O-CB 3.32Å; Y437-F441 WeakPolarHBondContact O-CD2 3.48Å; Y437-F441 PolarHBondContact O-N 2.86Å; A438-F441 CarbonylContact O-C 3.59Å; F441-Q443 PolarHBondContact O-N 3.16Å; F441-L444 HydrophobicContact CD1-CD1 3.7Å; F441-L444 HydrophobicContact CE1-CD1 4.35Å; F441-L444 PolarHBondContact O-N 3.28Å
442	K	28	Very low	24.9	Very low	164 Å²	164	109.3 Å²	109.3	71%	0.713	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	-9	179.5	-144.9	-176.4	-177.5	-172.6	0	113.4	A438	A438-K442 VanDerWaalsContact O-CA 3.26Å; A438-K442 WeakPolarHBondContact O-CA 3.39Å; A438-K442 PolarHBondContact O-N 3.43Å
443	Q	29.7	Very low	24.7	Very low	88 Å²	88	114.9 Å²	114.9	41%	0.411	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-116.8	5.6	178.3	-59.3	-171.9	-18.7	0	0	114.6	F441 P445 P615	F441-Q443 PolarHBondContact O-N 3.16Å; Q443-P445 VanDerWaalsContact O-CD 3.23Å; Q443-P445 WeakPolarHBondContact O-CD 2.99Å; Q443-P615 HydrophobicContact CB-CG 3.45Å; Q443-P615 VanDerWaalsContact CB-CG 3.45Å; Q443-P615 HydrophobicContact CG-CG 4.47Å
444	L	23.1	Very low	24.5	Very low	55 Å²	55	118.7 Å²	118.7	29%	0.288	60%	0.596	S	S	.	*			trans	-102.5	102	167.8	-67.1	177.3	0	0	0	110.7	F441 G446 P615 W619	F441-L444 HydrophobicContact CD1-CD1 3.7Å; F441-L444 HydrophobicContact CE1-CD1 4.35Å; F441-L444 PolarHBondContact O-N 3.28Å; L444-G446 PolarHBondContact O-N 2.05Å; L444-G446 VanDerWaalsContact O-N 3.1Å; L444-P615 HydrophobicContact CD2-CB 4.27Å; L444-W619 HydrophobicContact CD1-CH2 3.49Å; L444-W619 VanDerWaalsContact CD1-CH2 3.49Å; L444-W619 HydrophobicContact CD1-CZ2 3.58Å; L444-W619 HydrophobicContact CD2-CH2 3.09Å; L444-W619 HydrophobicContact CD2-CZ2 3.5Å; L444-W619 VanDerWaalsContact CD2-CZ2 3.5Å; L444-W619 HydrophobicContact CD2-CZ3 3.89Å; L444-W619 HydrophobicContact CG-CH2 3.86Å; L444-W619 HydrophobicContact CG-CZ2 3.98Å
445	P	25.6	Very low	24.2	Very low	82 Å²	82	115.2 Å²	115.2	53%	0.532	59%	0.592	S	S	.	*			trans	-73.9	100.9	174.6	28.3	-31	0	0	0	109.5	Q443 Y517	Q443-P445 VanDerWaalsContact O-CD 3.23Å; Q443-P445 WeakPolarHBondContact O-CD 2.99Å; P445-Y517 HydrophobicContact CB-CD1 4.18Å; P445-Y517 HydrophobicContact CB-CD2 4.24Å; P445-Y517 HydrophobicContact CB-CE1 3.95Å; P445-Y517 HydrophobicContact CB-CE2 4.07Å; P445-Y517 HydrophobicContact CB-CG 4.31Å; P445-Y517 HydrophobicContact CG-CD1 3.87Å; P445-Y517 HydrophobicContact CG-CE1 3.94Å; P445-Y517 HydrophobicContact CG-CG 4.25Å
446	G	23.8	Very low	23.9	Very low	54 Å²	54	115.6 Å²	115.6	56%	0.557	60%	0.596	S	S	*	*	S	Bend	trans	155.2	130.6	173.3	0	0	0	0	0	111.3	L444 V448	L444-G446 PolarHBondContact O-N 2.05Å; L444-G446 VanDerWaalsContact O-N 3.1Å; G446-V448 PolarHBondContact O-N 2.66Å
447	N	27	Very low	23.6	Very low	117 Å²	117	116.2 Å²	116.2	63%	0.626	62%	0.616	S	S	*	*			trans	-65.1	121.7	169.2	-84.8	-31.6	0	0	0	108.1	E449	N447-E449 PolarHBondContact O-N 3.25Å
448	V	21.3	Very low	23.4	Very low	120 Å²	120	118.6 Å²	118.6	73%	0.727	63%	0.63	S	S	*	*			trans	-71.1	78.3	172.5	-173.1	0	0	0	0	108.2	G446	G446-V448 PolarHBondContact O-N 2.66Å
449	E	20.7	Very low	23.1	Very low	162 Å²	162	124.7 Å²	124.7	76%	0.757	65%	0.652	S	S	*	*			trans	-103.9	116.5	162	-75	-173.5	176.2	0	0	108.2	N447	N447-E449 PolarHBondContact O-N 3.25Å
450	C	19.8	Very low	22.7	Very low	122 Å²	122	128.2 Å²	128.2	82%	0.824	67%	0.665	S	S	*	*			trans	22.3	108.7	162.9	-60.7	0	0	0	0	118.4	N452	C450-N452 PolarHBondContact O-N 2.9Å
451	F	19.3	Very low	22.4	Very low	160 Å²	160	128.2 Å²	128.2	70%	0.702	67%	0.665	S	S	*	*			trans	-49.8	124.6	165.1	-68.2	-91.8	0	0	0	112.3
452	N	19.4	Very low	22	Very low	100 Å²	100	130.3 Å²	130.3	54%	0.535	68%	0.681	S	S	.	*			trans	-122.1	114.7	155.9	-89.5	-17.2	0	0	0	107.8	N371 C450	N371-N452 PolarHBondContact OD1-ND2 2.88Å; C450-N452 PolarHBondContact O-N 2.9Å
453	E	21.3	Very low	21.8	Very low	143 Å²	143	128.7 Å²	128.7	67%	0.668	69%	0.685	S	S	*	*			trans	-82.9	138.7	-179.8	-66.1	176.8	149.9	0	0	110.8
454	Y	20.2	Very low	21.5	Very low	172 Å²	172	130.4 Å²	130.4	68%	0.675	70%	0.702	S	S	*	*			trans	-165.9	132.8	136.2	-95.7	-71.1	0	0	0	109.5
455	P	21.2	Very low	21.4	Very low	110 Å²	110	136 Å²	136	71%	0.714	73%	0.726	S	S	*	*			trans	-109.8	138	173	34.3	-24.4	0	0	0	112.4
456	I	18.6	Very low	21.3	Very low	156 Å²	156	139.9 Å²	139.9	80%	0.8	74%	0.742	S	S	*	*			trans	-121	129.1	163.7	-58.7	176.7	0	0	0	107.6	F458	I456-F458 HydrophobicContact CG2-CE2 4.43Å
457	G	19.9	Very low	21.3	Very low	64 Å²	64	147 Å²	147	66%	0.66	75%	0.753	S	S	*	*			trans	-81	154.9	-174.2	0	0	0	0	0	114
458	F	21.7	Very low	21.1	Very low	205 Å²	205	148.1 Å²	148.1	90%	0.899	75%	0.754	S	S	*	*			trans	-146	142.5	161.2	-84.8	-74.3	0	0	0	111.9	I456	I456-F458 HydrophobicContact CG2-CE2 4.43Å
459	E	20.5	Very low	21.2	Very low	167 Å²	167	149.4 Å²	149.4	78%	0.78	76%	0.757	S	S	*	*			trans	-80.7	147.8	-178.3	-67.2	-179.5	123.1	0	0	112.9
460	K	20.3	Very low	21.3	Very low	201 Å²	201	147.9 Å²	147.9	87%	0.874	75%	0.754	S	S	*	*			trans	37	95.7	149.8	-64.1	178.2	-178.1	170.6	0	117.7
461	L	21.2	Very low	21.5	Very low	148 Å²	148	148.2 Å²	148.2	78%	0.775	75%	0.747	S	S	*	*			trans	-120.2	142.6	160.2	-87.7	154.8	0	0	0	111.3
462	N	20.4	Very low	21.6	Very low	147 Å²	147	147.7 Å²	147.7	79%	0.786	75%	0.751	S	S	*	*			trans	-86.9	123.9	-167.1	-157.3	5.9	0	0	0	110.2	T464	N462-T464 PolarHBondContact O-N 3.08Å
463	T	23	Very low	21.8	Very low	130 Å²	130	150.1 Å²	150.1	80%	0.798	76%	0.763	S	S	*	*	S	Bend	trans	-90.4	35.5	-157.7	54.3	0	0	0	0	115.8
464	T	22.9	Very low	21.8	Very low	124 Å²	124	149.8 Å²	149.8	76%	0.761	76%	0.762	S	S	*	*			trans	-124.3	17	-174.4	45.3	0	0	0	0	115.9	N462	N462-T464 PolarHBondContact O-N 3.08Å
465	Q	20.8	Very low	21.9	Very low	171 Å²	171	144.5 Å²	144.5	80%	0.799	76%	0.759	S	S	*	*	S	Bend	trans	-119.4	139.9	170.4	-89.4	176.8	-25.3	0	0	111.5
466	L	23.8	Very low	21.9	Very low	164 Å²	164	145.1 Å²	145.1	86%	0.859	75%	0.751	S	S	*	*			trans	-54.1	135.5	-178.2	-95.8	92.9	0	0	0	111.4	H468	L466-H468 PolarHBondContact O-N 2.81Å
467	Y	23.3	Very low	22	Very low	204 Å²	204	143.1 Å²	143.1	80%	0.8	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	14.1	-162.4	-126.4	-97.2	0	0	0	116.8
468	H	24.8	Very low	22.2	Very low	140 Å²	140	147.6 Å²	147.6	65%	0.648	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.8	-12	-168.9	-77.1	-56.2	0	0	0	116.4	L466	L466-H468 PolarHBondContact O-N 2.81Å
469	D	23.4	Very low	22.3	Very low	148 Å²	148	143.8 Å²	143.8	79%	0.791	74%	0.737	S	S	*	*	S	Bend	trans	-110.9	0.6	-174.6	-70.5	-19.5	0	0	0	115.6
470	L	21.8	Very low	22.5	Very low	130 Å²	130	142.7 Å²	142.7	68%	0.681	74%	0.737	S	S	*	*			trans	-110.9	74.8	-178.9	-74.5	168.3	0	0	0	111.6
471	L	23.3	Very low	22.8	Very low	129 Å²	129	138.4 Å²	138.4	68%	0.675	73%	0.728	S	S	*	*			trans	-160.2	40.2	148.9	-100.7	141.6	0	0	0	111.4	L473	L471-L473 HydrophobicContact CD2-CD1 3.43Å; L471-L473 VanDerWaalsContact CD2-CD1 3.43Å; L471-L473 HydrophobicContact CD2-CG 3.87Å; L471-L473 PolarHBondContact O-N 3.27Å; L471-L473 VanDerWaalsContact O-N 3.08Å
472	N	22.9	Very low	23	Very low	149 Å²	149	140.4 Å²	140.4	80%	0.797	73%	0.733	S	S	*	*			trans	-72.3	86.8	147	-81.6	-27.6	0	0	0	106.7	E474	N472-E474 PolarHBondContact O-N 2.64Å
473	L	23.1	Very low	23.4	Very low	150 Å²	150	141.7 Å²	141.7	79%	0.785	73%	0.734	S	S	*	*			trans	-67.8	77.4	166.7	-86.4	153.4	0	0	0	108.1	L471 G475	L471-L473 HydrophobicContact CD2-CD1 3.43Å; L471-L473 VanDerWaalsContact CD2-CD1 3.43Å; L471-L473 HydrophobicContact CD2-CG 3.87Å; L471-L473 PolarHBondContact O-N 3.27Å; L471-L473 VanDerWaalsContact O-N 3.08Å; L473-G475 PolarHBondContact O-N 2.8Å
474	E	20.7	Very low	23.6	Very low	137 Å²	137	140.2 Å²	140.2	64%	0.64	73%	0.729	S	S	*	*			trans	-69.5	81.9	162.1	-68.2	-166.4	148.8	0	0	107.6	N472 F476	N472-E474 PolarHBondContact O-N 2.64Å; E474-F476 VanDerWaalsContact C-N 3.34Å; E474-F476 HydrophobicContact CB-CD2 4.17Å; E474-F476 HydrophobicContact CB-CE2 3.56Å; E474-F476 HydrophobicContact CB-CZ 3.95Å; E474-F476 WeakPolarHBondContact O-CD2 3.4Å; E474-F476 PolarHBondContact O-N 3.3Å; E474-F476 WeakPolarHBondContact OE2-CZ 3.44Å
475	G	22.2	Very low	23.6	Very low	60 Å²	60	141 Å²	141	62%	0.619	74%	0.739	S	S	*	*			trans	-68.3	90.7	171.6	0	0	0	0	0	110	L473 T477	L473-G475 PolarHBondContact O-N 2.8Å; G475-T477 PolarHBondContact O-N 3.1Å; G475-T477 VanDerWaalsContact O-N 3.07Å
476	F	20.7	Very low	24	Very low	123 Å²	123	138.6 Å²	138.6	54%	0.539	74%	0.736	S	S	.	*			trans	-74.8	89	170	-62.5	-83.2	0	0	0	109.2	E474 Y478	E474-F476 VanDerWaalsContact C-N 3.34Å; E474-F476 HydrophobicContact CB-CD2 4.17Å; E474-F476 HydrophobicContact CB-CE2 3.56Å; E474-F476 HydrophobicContact CB-CZ 3.95Å; E474-F476 WeakPolarHBondContact O-CD2 3.4Å; E474-F476 PolarHBondContact O-N 3.3Å; E474-F476 WeakPolarHBondContact OE2-CZ 3.44Å; F476-Y478 HydrophobicContact CB-CD2 4.49Å; F476-Y478 HydrophobicContact CB-CE2 3.73Å; F476-Y478 PolarHBondContact O-N 3.49Å
477	T	21.9	Very low	24.1	Very low	115 Å²	115	140.4 Å²	140.4	71%	0.706	74%	0.739	S	S	*	*			trans	-86.1	111.4	169.8	109.6	0	0	0	0	107.9	G475	G475-T477 PolarHBondContact O-N 3.1Å; G475-T477 VanDerWaalsContact O-N 3.07Å
478	Y	23.3	Very low	24.3	Very low	158 Å²	158	133.8 Å²	133.8	62%	0.62	73%	0.733	S	S	*	*			trans	-89.2	122.8	169.2	-56.7	-84.8	0	0	0	107.7	F476 D480	F476-Y478 HydrophobicContact CB-CD2 4.49Å; F476-Y478 HydrophobicContact CB-CE2 3.73Å; F476-Y478 PolarHBondContact O-N 3.49Å; Y478-D480 PolarHBondContact O-N 3.05Å
479	V	24.1	Very low	24.3	Very low	124 Å²	124	133.8 Å²	133.8	75%	0.752	74%	0.743	S	S	*	*			trans	-83.4	97.8	167.1	-177.6	0	0	0	0	106.1	T481	V479-T481 PolarHBondContact O-N 3.4Å
480	D	25.1	Very low	24.4	Very low	145 Å²	145	131.4 Å²	131.4	78%	0.775	74%	0.744	S	S	*	*			trans	-71.7	107.9	165.6	-120.1	-17.6	0	0	0	106.4	Y478 E482	Y478-D480 PolarHBondContact O-N 3.05Å; D480-E482 VanDerWaalsContact C-N 3.27Å; D480-E482 PolarHBondContact O-N 3.3Å
481	T	26.3	Very low	24.7	Very low	110 Å²	110	132.8 Å²	132.8	68%	0.675	75%	0.752	S	S	*	*			trans	-71.5	94.2	167.7	50.2	0	0	0	0	106.6	V479 E483	V479-T481 PolarHBondContact O-N 3.4Å; T481-E483 PolarHBondContact O-N 3.32Å
482	E	25.3	Very low	25	Very low	190 Å²	190	136.5 Å²	136.5	89%	0.888	76%	0.762	S	S	*	*			trans	-64.1	80.3	174.7	-67.7	-175.3	166.8	0	0	110.4	D480	D480-E482 VanDerWaalsContact C-N 3.27Å; D480-E482 PolarHBondContact O-N 3.3Å
483	E	28.3	Very low	25	Very low	175 Å²	175	137.7 Å²	137.7	82%	0.818	77%	0.768	S	S	*	*			trans	-96.7	111.3	158.6	-78.3	-172.1	168.8	0	0	108.9	T481	T481-E483 PolarHBondContact O-N 3.32Å
484	S	26.8	Very low	25.1	Very low	98 Å²	98	135.6 Å²	135.6	69%	0.685	77%	0.766	S	S	*	*			trans	73	71.6	154.8	65.7	0	0	0	0	118.4	T486	S484-T486 PolarHBondContact O-N 3.01Å; S484-T486 VanDerWaalsContact O-N 3.12Å
485	C	24.5	Very low	25.4	Very low	142 Å²	142	133.8 Å²	133.8	96%	0.959	78%	0.775	S	S	*	*			trans	-78	75.5	149	-72.9	0	0	0	0	109.5
486	T	27.9	Very low	25.6	Very low	120 Å²	120	137.7 Å²	137.7	74%	0.736	78%	0.78	S	S	*	*			trans	-90.6	131.1	166	44	0	0	0	0	110	S484 G488	S484-T486 PolarHBondContact O-N 3.01Å; S484-T486 VanDerWaalsContact O-N 3.12Å; T486-G488 PolarHBondContact O-N 3.22Å
487	H	25.8	Very low	25.9	Very low	201 Å²	201	136.8 Å²	136.8	93%	0.931	80%	0.795	S	S	*	*			trans	-44.7	120.8	-179	-71.5	-97.4	0	0	0	114.1
488	G	27.3	Very low	26.2	Very low	65 Å²	65	139.7 Å²	139.7	67%	0.67	80%	0.798	S	S	*	*			trans	-175.6	92	172.8	0	0	0	0	0	113.2	T486	T486-G488 PolarHBondContact O-N 3.22Å
489	T	26.7	Very low	26.3	Very low	141 Å²	141	141 Å²	141	87%	0.865	81%	0.81	S	S	*	*			trans	26.1	113.9	151.6	50.2	0	0	0	0	118.8	N491	T489-N491 PolarHBondContact O-N 3.43Å; T489-N491 VanDerWaalsContact O-N 3.16Å
490	A	24.9	Very low	26.4	Very low	97 Å²	97	141.6 Å²	141.6	80%	0.802	81%	0.809	S	S	*	*			trans	-46.1	114.1	162.3	0	0	0	0	0	112.2
491	N	28.1	Very low	26.5	Very low	159 Å²	159	145.2 Å²	145.2	85%	0.85	81%	0.811	S	S	*	*			trans	173.4	97.4	147.8	-90.4	-22.2	0	0	0	111.4	T489	T489-N491 PolarHBondContact O-N 3.43Å; T489-N491 VanDerWaalsContact O-N 3.16Å
492	K	28.5	Very low	26.5	Very low	207 Å²	207	150.3 Å²	150.3	90%	0.9	82%	0.818	S	S	*	*			trans	160.8	107.7	136.5	-94.2	174.4	176.3	176.1	0	110.2	S494	K492-S494 PolarHBondContact O-N 3.42Å
493	L	24.3	Very low	26.4	Very low	174 Å²	174	149 Å²	149	91%	0.911	81%	0.812	S	S	*	*			trans	-56	128.2	153.2	-72.4	114.3	0	0	0	109.2
494	S	25.3	Very low	26.2	Very low	106 Å²	106	148.6 Å²	148.6	74%	0.741	81%	0.808	S	S	*	*				159.5	115.4	127	64.7	0	0	0	0	113	K492 I496	K492-S494 PolarHBondContact O-N 3.42Å; S494-I496 PolarHBondContact O-N 3.13Å
495	A	25.3	Very low	26	Very low	100 Å²	100	149.6 Å²	149.6	83%	0.826	81%	0.809	S	S	*	*				60.1	54.6	126.9	0	0	0	0	0	120.1
496	I	27.6	Very low	25.9	Very low	141 Å²	141	148.6 Å²	148.6	72%	0.723	79%	0.793	S	S	*	*			trans	-113.1	88.7	146.2	-50	-178.9	0	0	0	107.2	S494 K498	S494-I496 PolarHBondContact O-N 3.13Å; I496-K498 HydrophobicContact CG2-CG 3.93Å; I496-K498 PolarHBondContact O-N 3.32Å
497	A	26.4	Very low	25.7	Very low	105 Å²	105	151.4 Å²	151.4	87%	0.868	80%	0.795	S	S	*	*			trans	-61.4	78.4	166	0	0	0	0	0	108.8	E499	A497-E499 PolarHBondContact O-N 2.94Å
498	K	27.6	Very low	25.6	Very low	175 Å²	175	148.5 Å²	148.5	76%	0.761	79%	0.785	S	S	*	*			trans	-77.4	110	167	-87.6	-178.1	179.8	-179.5	0	107.5	I496 N500	I496-K498 HydrophobicContact CG2-CG 3.93Å; I496-K498 PolarHBondContact O-N 3.32Å; K498-N500 VanDerWaalsContact C-N 3.28Å; K498-N500 PolarHBondContact O-N 3.13Å
499	E	27.1	Very low	25.4	Very low	187 Å²	187	151.1 Å²	151.1	87%	0.874	78%	0.783	S	S	*	*			trans	-56.1	74.1	-179.2	-160.5	172.2	-154.2	0	0	112.3	A497 R501	A497-E499 PolarHBondContact O-N 2.94Å; E499-R501 PolarHBondContact O-N 2.05Å
500	N	26.3	Very low	25.2	Very low	136 Å²	136	149.8 Å²	149.8	73%	0.727	78%	0.775	S	S	*	*			trans	-74.3	107.6	172.8	-84.1	-3.4	0	0	0	109.5	K498 R502	K498-N500 VanDerWaalsContact C-N 3.28Å; K498-N500 PolarHBondContact O-N 3.13Å; N500-R502 PolarHBondContact O-N 3.1Å
501	R	27.1	Very low	25.3	Very low	220 Å²	220	152.6 Å²	152.6	83%	0.83	77%	0.771	S	S	*	*			trans	-58.5	96.5	179	-64	177.8	-171.7	163	2.2	111.1	E499 H503	E499-R501 PolarHBondContact O-N 2.05Å; R501-H503 PolarHBondContact O-N 3.46Å; R501-H503 PolarHBondContact O-ND1 3.09Å
502	R	24.7	Very low	25.3	Very low	217 Å²	217	148.8 Å²	148.8	82%	0.819	75%	0.754	S	S	*	*			trans	-68.7	108.6	176.7	-65.9	177.4	-177.6	174.8	-1.6	110.2	N500	N500-R502 PolarHBondContact O-N 3.1Å
503	H	24.2	Very low	25.3	Very low	164 Å²	164	144 Å²	144	76%	0.759	74%	0.742	S	S	*	*			trans	-85.2	120.5	173.3	-70.4	75.1	0	0	0	109.8	R501	R501-H503 PolarHBondContact O-N 3.46Å; R501-H503 PolarHBondContact O-ND1 3.09Å
504	K	23.7	Very low	25.7	Very low	166 Å²	166	139.4 Å²	139.4	72%	0.722	72%	0.718	S	S	*	*			trans	-86.5	105.5	-179.8	-172.1	-178.7	-174.4	-180	0	109.3	I506	K504-I506 HydrophobicContact CD-CD1 4.41Å; K504-I506 HydrophobicContact CD-CG1 4.48Å; K504-I506 HydrophobicContact CG-CG1 4.16Å
505	V	23	Very low	26	Very low	118 Å²	118	144.1 Å²	144.1	72%	0.715	72%	0.72	S	S	*	*			trans	-105.3	107.6	171.4	-177.9	0	0	0	0	108.7
506	I	23.2	Very low	26.5	Very low	122 Å²	122	146.4 Å²	146.4	63%	0.626	71%	0.713	S	S	*	*			trans	-88.5	105.7	176.4	-55.9	169.6	0	0	0	106.7	K504 I508	K504-I506 HydrophobicContact CD-CD1 4.41Å; K504-I506 HydrophobicContact CD-CG1 4.48Å; K504-I506 HydrophobicContact CG-CG1 4.16Å; I506-I508 HydrophobicContact CG2-CD1 4.45Å; I506-I508 HydrophobicContact CG2-CG1 4.03Å
507	K	22.7	Very low	27.1	Very low	178 Å²	178	144.6 Å²	144.6	77%	0.774	70%	0.698	S	S	*	*			trans	-120.7	96.8	170.6	-144	-179.5	-174.7	-175.8	0	108.7	L509	K507-L509 PolarHBondContact O-N 3.05Å; K507-L509 VanDerWaalsContact O-N 3.11Å
508	I	23.4	Very low	28.1	Very low	140 Å²	140	142.1 Å²	142.1	72%	0.718	67%	0.673	S	S	*	*			trans	-69.6	99.8	177.4	-57.9	166.5	0	0	0	106.6	I506 T510	I506-I508 HydrophobicContact CG2-CD1 4.45Å; I506-I508 HydrophobicContact CG2-CG1 4.03Å; I508-T510 HydrophobicContact CG2-CG2 4.05Å
509	L	24.1	Very low	29.2	Very low	120 Å²	120	135.2 Å²	135.2	63%	0.628	65%	0.652	S	S	*	*			trans	-97.5	89.9	173.8	-134.2	93.7	0	0	0	108	K507 E511	K507-L509 PolarHBondContact O-N 3.05Å; K507-L509 VanDerWaalsContact O-N 3.11Å; L509-E511 VanDerWaalsContact C-N 3.25Å; L509-E511 HydrophobicContact CD2-CG 4.04Å; L509-E511 PolarHBondContact O-N 3.22Å; L509-E511 VanDerWaalsContact O-N 3.08Å
510	T	22.6	Very low	30.8	Very low	113 Å²	113	127.8 Å²	127.8	69%	0.693	62%	0.62	S	S	*	*			trans	-78.6	74.2	169.8	43.6	0	0	0	0	109.4	I508 T512	I508-T510 HydrophobicContact CG2-CG2 4.05Å; T510-T512 PolarHBondContact O-N 2.72Å
511	E	26.3	Very low	32.9	Very low	156 Å²	156	121.7 Å²	121.7	73%	0.729	59%	0.587	S	S	*	*			trans	-81	95.3	165.8	-82.6	-178.4	169.3	0	0	108.3	L509 V513	L509-E511 VanDerWaalsContact C-N 3.25Å; L509-E511 HydrophobicContact CD2-CG 4.04Å; L509-E511 PolarHBondContact O-N 3.22Å; L509-E511 VanDerWaalsContact O-N 3.08Å; E511-V513 PolarHBondContact O-N 3.47Å
512	T	27.2	Very low	34.8	Very low	79 Å²	79	113.1 Å²	113.1	49%	0.485	56%	0.559	S	S	.	*			trans	-77.1	74.6	179.2	41.9	0	0	0	0	110.2	T510 D514 S531	T510-T512 PolarHBondContact O-N 2.72Å; T512-D514 PolarHBondContact O-N 2.78Å; T512-S531 VanDerWaalsContact CG2-OG 3.31Å; T512-S531 WeakPolarHBondContact CG2-OG 3.47Å; T512-S531 PolarHBondContact OG1-OG 2.99Å
513	V	28.5	Very low	36.9	Very low	107 Å²	107	107.4 Å²	107.4	65%	0.648	54%	0.541	S	S	*	.			trans	-72.6	121.6	161.9	-176.7	0	0	0	0	106.5	E511 R515	E511-V513 PolarHBondContact O-N 3.47Å; V513-R515 HydrophobicContact CG1-CG 4.14Å; V513-R515 PolarHBondContact O-N 2.93Å
514	D	33.5	Very low	39.1	Very low	77 Å²	77	107.3 Å²	107.3	41%	0.412	54%	0.54	S	S	.	.	S	Bend	trans	-61.7	37	-176.8	-79.6	-45.9	0	0	0	114.6	T512 E516 G532 T533	T512-D514 PolarHBondContact O-N 2.78Å; D514-E516 PolarHBondContact O-N 3.46Å; D514-E516 VanDerWaalsContact O-N 3.16Å; D514-G532 WeakPolarHBondContact OD1-CA 3.3Å; D514-T533 PolarHBondContact OD1-N 3.25Å; D514-T533 WeakPolarHBondContact OD2-CB 3.31Å; D514-T533 WeakPolarHBondContact OD2-CG2 3.06Å; D514-T533 PolarHBondContact OD2-N 3.31Å; D514-T533 PolarHBondContact OD2-OG1 2.98Å
515	R	30.9	Very low	41.5	Very low	206 Å²	206	103 Å²	103	78%	0.777	53%	0.525	S	S	*	.			trans	-70.6	-4.6	179.5	-88.6	-175.5	177.6	171.2	2.6	114.3	V513	V513-R515 HydrophobicContact CG1-CG 4.14Å; V513-R515 PolarHBondContact O-N 2.93Å
516	E	37.3	Very low	44.1	Very low	147 Å²	147	99.3 Å²	99.3	69%	0.687	50%	0.504	S	S	*	.			trans	-131.8	82.2	-174.8	-155.7	151.7	-156.4	0	0	108.1	D514 P518	D514-E516 PolarHBondContact O-N 3.46Å; D514-E516 VanDerWaalsContact O-N 3.16Å; E516-P518 WeakPolarHBondContact O-CD 3.29Å
517	Y	40.3	Very low	46.8	Very low	103 Å²	103	94.5 Å²	94.5	40%	0.404	48%	0.48	S	S	.	.			trans	-82.4	98.6	161.3	-172.3	-101.7	0	0	0	106.7	P445 G519 F597	P445-Y517 HydrophobicContact CB-CD1 4.18Å; P445-Y517 HydrophobicContact CB-CD2 4.24Å; P445-Y517 HydrophobicContact CB-CE1 3.95Å; P445-Y517 HydrophobicContact CB-CE2 4.07Å; P445-Y517 HydrophobicContact CB-CG 4.31Å; P445-Y517 HydrophobicContact CG-CD1 3.87Å; P445-Y517 HydrophobicContact CG-CE1 3.94Å; P445-Y517 HydrophobicContact CG-CG 4.25Å; Y517-G519 VanDerWaalsContact CE1-CA 3.4Å; Y517-G519 PolarHBondContact O-N 2.54Å; Y517-G519 VanDerWaalsContact O-N 3.11Å; Y517-F597 HydrophobicContact CD2-CE1 4.32Å; Y517-F597 HydrophobicContact CE2-CD1 4.38Å; Y517-F597 AromaticContact CE2-CE1 3.89Å; Y517-F597 HydrophobicContact CE2-CE1 3.89Å
518	P	46.2	Very low	49.5	Very low	54 Å²	54	88.1 Å²	88.1	35%	0.351	46%	0.46	S	S	.	.			trans	-71.4	110.2	162.7	35.3	-34.8	0	0	0	103.6	E516 C520	E516-P518 WeakPolarHBondContact O-CD 3.29Å; P518-C520 CarbonylContact C-O 3.52Å; P518-C520 VanDerWaalsContact CB-O 3.28Å; P518-C520 WeakPolarHBondContact CB-O 3.4Å; P518-C520 PolarHBondContact O-N 3.27Å
519	G	50.7	Low	52.2	Low	30 Å²	30	86.2 Å²	86.2	31%	0.309	46%	0.459	S	S	.	.	S	Bend	trans	-54.9	-5.6	179.9	0	0	0	0	0	114.9	Y517 Q911	Y517-G519 VanDerWaalsContact CE1-CA 3.4Å; Y517-G519 PolarHBondContact O-N 2.54Å; Y517-G519 VanDerWaalsContact O-N 3.11Å; G519-Q911 PolarHBondContact O-NE2 3.02Å
520	C	60.3	Low	54.8	Low	30 Å²	30	82.3 Å²	82.3	20%	0.203	44%	0.436	C	S	.	.	S	Bend	trans	-150	156.6	170.8	57.2	0	0	0	0	110	P518 N598 C600	P518-C520 CarbonylContact C-O 3.52Å; P518-C520 VanDerWaalsContact CB-O 3.28Å; P518-C520 WeakPolarHBondContact CB-O 3.4Å; P518-C520 PolarHBondContact O-N 3.27Å; C520-N598 CarbonylContact C-O 3.51Å; C520-N598 WeakPolarHBondContact CA-O 3.39Å; C520-N598 WeakPolarHBondContact CB-O 3.3Å; C520-C600 HydrophobicContact CB-CB 3.82Å; C520-C600 WeakPolarHBondContact CB-SG 3.19Å; C520-C600 PolarHBondContact O-SG 2.99Å; C520-C600 WeakPolarHBondContact SG-CA 3.49Å; C520-C600 WeakPolarHBondContact SG-CB 3.01Å; C520-C600 CovalentContact SG-SG 2.03Å; C520-C600 PolarHBondContact SG-SG 3.04Å
521	R	71.3	Confident	57.5	Low	8 Å²	8	78.4 Å²	78.4	3%	0.03	41%	0.414	C	S	.	.	B	Isolated β-bridge	trans	-86.4	132.8	172.2	-176.5	-174.4	74.2	82.4	3.5	110.5	K523 N525 M527 P578 C579 F597 N598 T599 C600	R521-K523 PolarHBondContact NH1-O 2.91Å; R521-K523 PolarHBondContact NH2-O 3.18Å; R521-K523 PolarHBondContact O-N 3.01Å; R521-N525 WeakPolarHBondContact CD-O 3.46Å; R521-N525 WeakPolarHBondContact CG-O 3.02Å; R521-N525 PolarHBondContact NH1-O 3.14Å; R521-M527 HydrophobicContact CB-CE 3.44Å; R521-M527 VanDerWaalsContact CB-CE 3.44Å; R521-M527 HydrophobicContact CB-SD 4.47Å; R521-M527 HydrophobicContact CG-CE 3.37Å; R521-M527 HydrophobicContact CG-CG 3.99Å; R521-M527 HydrophobicContact CG-SD 4.07Å; R521-P578 PolarHBondContact NH1-O 3.44Å; R521-P578 PolarHBondContact NH2-O 3.28Å; R521-C579 PolarHBondContact NE-O 3.05Å; R521-F597 HydrophobicContact CB-CB 4.23Å; R521-N598 PolarHBondContact N-O 3.38Å; R521-T599 PolarHBondContact NH2-OG1 3.21Å; R521-T599 CarbonylContact O-C 3.45Å; R521-T599 VanDerWaalsContact O-CA 3.31Å; R521-T599 WeakPolarHBondContact O-CA 3.12Å; R521-C600 PolarHBondContact O-N 3.15Å
522	P	66.2	Low	59.8	Low	40 Å²	40	71.2 Å²	71.2	26%	0.26	38%	0.381	S	S	.	.			trans	-61	137	168.7	-21.1	32.2	0	0	0	111.6	H524 N525	P522-H524 PolarHBondContact O-N 3.24Å; P522-H524 VanDerWaalsContact O-N 3.11Å; P522-N525 HydrophobicContact CB-CB 4.23Å; P522-N525 HydrophobicContact CG-CB 4.49Å; P522-N525 PolarHBondContact O-N 2.72Å
523	K	68.9	Low	62.1	Low	97 Å²	97	70.1 Å²	70.1	42%	0.422	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-42.4	-174.8	-168.5	173.9	-170.2	167.2	0	113.5	R521 N525 T599 E917	R521-K523 PolarHBondContact NH1-O 2.91Å; R521-K523 PolarHBondContact NH2-O 3.18Å; R521-K523 PolarHBondContact O-N 3.01Å; K523-N525 PolarHBondContact O-N 2Å; K523-T599 HydrophobicContact CB-CG2 3.83Å; K523-T599 HydrophobicContact CG-CG2 4.17Å; K523-E917 VanDerWaalsContact CE-OE1 3.23Å; K523-E917 WeakPolarHBondContact CE-OE1 3.47Å; K523-E917 WeakPolarHBondContact CE-OE2 3.33Å; K523-E917 IonicContact NZ-OE1 2.66Å; K523-E917 PolarHBondContact NZ-OE1 3.03Å; K523-E917 IonicContact NZ-OE2 2.83Å
524	H	70.8	Confident	64.3	Low	163 Å²	163	66.5 Å²	66.5	76%	0.755	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-2.1	-177.6	-58.5	-61.3	0	0	0	115.3	P522 E602	P522-H524 PolarHBondContact O-N 3.24Å; P522-H524 VanDerWaalsContact O-N 3.11Å; H524-E602 IonicContact NE2-OE1 3.78Å
525	N	75.1	Confident	66.5	Low	76 Å²	76	63.7 Å²	63.7	41%	0.406	34%	0.34	S	S	.	.			trans	-115.1	106.2	-177.3	-175.8	-7.9	0	0	0	111.5	R521 P522 K523 M527	R521-N525 WeakPolarHBondContact CD-O 3.46Å; R521-N525 WeakPolarHBondContact CG-O 3.02Å; R521-N525 PolarHBondContact NH1-O 3.14Å; P522-N525 HydrophobicContact CB-CB 4.23Å; P522-N525 HydrophobicContact CG-CB 4.49Å; P522-N525 PolarHBondContact O-N 2.72Å; K523-N525 PolarHBondContact O-N 2Å; N525-M527 PolarHBondContact O-N 2.77Å; N525-M527 VanDerWaalsContact O-N 3.16Å; N525-M527 WeakPolarHBondContact OD1-CA 3.31Å; N525-M527 PolarHBondContact OD1-N 2.03Å
526	S	76.7	Confident	68.6	Low	39 Å²	39	60.3 Å²	60.3	27%	0.273	33%	0.327	S	S	.	.			trans	-69.4	-5.6	178.4	-51.6	0	0	0	0	114.5	A528 N573 S577 G580	S526-A528 PolarHBondContact O-N 2.89Å; S526-A528 VanDerWaalsContact O-N 3.11Å; S526-N573 PolarHBondContact O-ND2 3.35Å; S526-S577 WeakPolarHBondContact CB-O 3.43Å; S526-G580 VanDerWaalsContact O-CA 3.3Å; S526-G580 WeakPolarHBondContact O-CA 3.46Å
527	M	79.9	Confident	70.7	Confident	22 Å²	22	53.6 Å²	53.6	11%	0.108	30%	0.297	C	S	.	.			trans	43.7	45.3	-174	-49.7	-169.6	-78.4	0	0	112.7	R521 N525 S529 Y530 P581 F597	R521-M527 HydrophobicContact CB-CE 3.44Å; R521-M527 VanDerWaalsContact CB-CE 3.44Å; R521-M527 HydrophobicContact CB-SD 4.47Å; R521-M527 HydrophobicContact CG-CE 3.37Å; R521-M527 HydrophobicContact CG-CG 3.99Å; R521-M527 HydrophobicContact CG-SD 4.07Å; N525-M527 PolarHBondContact O-N 2.77Å; N525-M527 VanDerWaalsContact O-N 3.16Å; N525-M527 WeakPolarHBondContact OD1-CA 3.31Å; N525-M527 PolarHBondContact OD1-N 2.03Å; M527-S529 PolarHBondContact O-N 2.79Å; M527-Y530 VanDerWaalsContact O-CB 3.27Å; M527-Y530 WeakPolarHBondContact O-CB 3.23Å; M527-Y530 PolarHBondContact O-N 3.25Å; M527-P581 HydrophobicContact CB-CG 3.75Å; M527-P581 HydrophobicContact CE-CG 4.12Å; M527-F597 HydrophobicContact CE-CB 3.84Å; M527-F597 HydrophobicContact CE-CD1 4.36Å; M527-F597 HydrophobicContact CE-CD2 3.72Å; M527-F597 HydrophobicContact CE-CE2 4.37Å; M527-F597 HydrophobicContact CE-CG 3.71Å
528	A	79.8	Confident	72.1	Confident	43 Å²	43	50 Å²	50	36%	0.355	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-28.9	-174.9	0	0	0	0	0	113.2	S526 K576	S526-A528 PolarHBondContact O-N 2.89Å; S526-A528 VanDerWaalsContact O-N 3.11Å; A528-K576 HydrophobicContact CB-CG 4.39Å
529	S	79.2	Confident	73.3	Confident	100 Å²	100	53 Å²	53	70%	0.699	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	10.6	178.5	53.6	0	0	0	0	114	M527 S531	M527-S529 PolarHBondContact O-N 2.79Å; S529-S531 PolarHBondContact O-N 3.43Å; S529-S531 VanDerWaalsContact O-N 3.11Å
530	Y	79.8	Confident	74	Confident	38 Å²	38	53 Å²	53	15%	0.149	29%	0.294	C	S	.	.			trans	-61.5	116	-179.9	178.6	-101.4	0	0	0	111.1	M527 G532 T533 T534 P560 C571 R572 P581 F597	M527-Y530 VanDerWaalsContact O-CB 3.27Å; M527-Y530 WeakPolarHBondContact O-CB 3.23Å; M527-Y530 PolarHBondContact O-N 3.25Å; Y530-G532 VanDerWaalsContact CZ-CA 3.48Å; Y530-G532 WeakPolarHBondContact OH-CA 3.36Å; Y530-T533 PolarHBondContact OH-N 3.32Å; Y530-T534 WeakPolarHBondContact OH-CB 2.93Å; Y530-T534 PolarHBondContact OH-N 3.24Å; Y530-T534 PolarHBondContact OH-OG1 3.24Å; Y530-P560 WeakPolarHBondContact O-CG 3.44Å; Y530-C571 WeakPolarHBondContact CD1-O 3.42Å; Y530-C571 HydrophobicContact CE1-CB 4.4Å; Y530-R572 WeakPolarHBondContact O-CD 3.45Å; Y530-P581 HydrophobicContact CD1-CB 4.02Å; Y530-P581 HydrophobicContact CD1-CG 4.05Å; Y530-P581 HydrophobicContact CG-CB 4.42Å; Y530-P581 HydrophobicContact CG-CG 3.95Å; Y530-F597 HydrophobicContact CD1-CE2 4.18Å; Y530-F597 HydrophobicContact CD1-CZ 4.5Å; Y530-F597 AromaticContact CE1-CE2 3.91Å; Y530-F597 HydrophobicContact CE1-CE2 3.91Å; Y530-F597 AromaticContact CE1-CZ 3.87Å; Y530-F597 HydrophobicContact CE1-CZ 3.87Å; Y530-F597 HydrophobicContact CE2-CE2 4.39Å; Y530-F597 AromaticContact CE2-CZ 3.89Å; Y530-F597 HydrophobicContact CE2-CZ 3.89Å; Y530-F597 AromaticContact CZ-CZ 3.54Å
531	S	78	Confident	74.9	Confident	32 Å²	32	56.4 Å²	56.4	22%	0.224	30%	0.303	C	S	.	.			trans	-118	15	178.1	65	0	0	0	0	113.4	T512 S529 R572	T512-S531 VanDerWaalsContact CG2-OG 3.31Å; T512-S531 WeakPolarHBondContact CG2-OG 3.47Å; T512-S531 PolarHBondContact OG1-OG 2.99Å; S529-S531 PolarHBondContact O-N 3.43Å; S529-S531 VanDerWaalsContact O-N 3.11Å; S531-R572 PolarHBondContact O-NH2 2.79Å; S531-R572 VanDerWaalsContact O-NH2 3.12Å
532	G	75.2	Confident	75.5	Confident	4 Å²	4	62.9 Å²	62.9	4%	0.041	33%	0.331	C	S	.	.	S	Bend	trans	-71.3	-176.9	178.3	0	0	0	0	0	113.3	D514 Y530 R572	D514-G532 WeakPolarHBondContact OD1-CA 3.3Å; Y530-G532 VanDerWaalsContact CZ-CA 3.48Å; Y530-G532 WeakPolarHBondContact OH-CA 3.36Å; G532-R572 PolarHBondContact O-NH1 2.91Å; G532-R572 PolarHBondContact O-NH2 2.8Å; G532-R572 VanDerWaalsContact O-NH2 3.1Å
533	T	75.6	Confident	76.5	Confident	57 Å²	57	61 Å²	61	35%	0.35	32%	0.319	S	S	.	.			trans	-103.6	13.8	-169.8	67.7	0	0	0	0	115.3	D514 Y530 A535 Y570	D514-T533 PolarHBondContact OD1-N 3.25Å; D514-T533 WeakPolarHBondContact OD2-CB 3.31Å; D514-T533 WeakPolarHBondContact OD2-CG2 3.06Å; D514-T533 PolarHBondContact OD2-N 3.31Å; D514-T533 PolarHBondContact OD2-OG1 2.98Å; Y530-T533 PolarHBondContact OH-N 3.32Å; T533-A535 PolarHBondContact O-N 2.84Å; T533-Y570 VanDerWaalsContact CA-CD1 3.49Å; T533-Y570 HydrophobicContact CG2-CE1 4.22Å; T533-Y570 HydrophobicContact CG2-CE2 4.41Å; T533-Y570 WeakPolarHBondContact O-CD1 3.37Å; T533-Y570 VanDerWaalsContact O-CE1 3.25Å; T533-Y570 WeakPolarHBondContact O-CE1 3.47Å
534	T	74.4	Confident	77.4	Confident	30 Å²	30	59.3 Å²	59.3	18%	0.184	31%	0.313	C	S	.	.			trans	-60.7	125.5	175.7	-60.6	0	0	0	0	110	Y530 Y570 C571 C596 F597	Y530-T534 WeakPolarHBondContact OH-CB 2.93Å; Y530-T534 PolarHBondContact OH-N 3.24Å; Y530-T534 PolarHBondContact OH-OG1 3.24Å; T534-Y570 CarbonylContact O-C 3.49Å; T534-Y570 VanDerWaalsContact O-CA 3.28Å; T534-Y570 WeakPolarHBondContact O-CA 3.1Å; T534-C571 PolarHBondContact O-N 2.84Å; T534-C571 PolarHBondContact O-SG 3.48Å; T534-C596 HydrophobicContact CG2-CB 4.39Å; T534-F597 HydrophobicContact CG2-CE1 4.39Å; T534-F597 HydrophobicContact CG2-CZ 4Å
535	A	80.9	Confident	78.2	Confident	19 Å²	19	56.7 Å²	56.7	16%	0.157	30%	0.296	C	S	.	.			trans	-129.4	29.7	-175	0	0	0	0	0	113.2	T533 C543 N569 Y570	T533-A535 PolarHBondContact O-N 2.84Å; A535-C543 WeakPolarHBondContact O-CB 3.47Å; A535-C543 PolarHBondContact O-N 2.99Å; A535-C543 PolarHBondContact O-SG 3.44Å; A535-C543 VanDerWaalsContact O-SG 3.36Å; A535-N569 WeakPolarHBondContact CA-O 3.28Å; A535-N569 WeakPolarHBondContact CB-O 3.13Å; A535-Y570 HydrophobicContact CB-CD1 3.99Å; A535-Y570 HydrophobicContact CB-CE1 4.46Å
536	R	74.6	Confident	78.8	Confident	134 Å²	134	53.2 Å²	53.2	51%	0.506	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-137.8	150.1	176.9	-72.2	-175.7	179	-118.1	9.1	110.8	G540 Y541 C543 C571 C596	R536-G540 PolarHBondContact NH1-O 2.75Å; R536-Y541 CarbonylContact C-O 3.59Å; R536-Y541 WeakPolarHBondContact CA-O 3.46Å; R536-C543 PolarHBondContact N-SG 3.34Å; R536-C571 PolarHBondContact O-SG 3.01Å; R536-C596 VanDerWaalsContact O-CB 3.3Å; R536-C596 WeakPolarHBondContact O-CB 3.25Å; R536-C596 PolarHBondContact O-SG 2.91Å
537	T	80.9	Confident	79.1	Confident	7 Å²	7	55.5 Å²	55.5	4%	0.043	28%	0.284	C	S	.	.			trans	-77.1	171.7	175.4	70.6	0	0	0	0	111.9	H539 G540 Y541 C583 Y585 E594 P595	T537-H539 PolarHBondContact O-N 3.36Å; T537-G540 WeakPolarHBondContact O-CA 3.33Å; T537-G540 PolarHBondContact O-N 3.39Å; T537-Y541 PolarHBondContact N-O 3.27Å; T537-Y541 WeakPolarHBondContact OG1-CB 3.46Å; T537-Y541 PolarHBondContact OG1-N 3.01Å; T537-C583 WeakPolarHBondContact CG2-SG 2.87Å; T537-Y585 HydrophobicContact CG2-CD1 3.9Å; T537-Y585 HydrophobicContact CG2-CG 4.32Å; T537-E594 WeakPolarHBondContact CB-OE2 3.29Å; T537-E594 HydrophobicContact CG2-CB 3.89Å; T537-E594 HydrophobicContact CG2-CG 4.25Å; T537-E594 PolarHBondContact OG1-OE2 3.43Å; T537-P595 CarbonylContact C-O 3.18Å; T537-P595 WeakPolarHBondContact CA-O 3.22Å
538	I	70.1	Confident	79.2	Confident	27 Å²	27	59.2 Å²	59.2	14%	0.138	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-32.2	176.3	55.1	172.3	0	0	0	113.2	G540 E594 P595 F597 N598	I538-G540 VanDerWaalsContact C-N 3.26Å; I538-G540 PolarHBondContact O-N 2.9Å; I538-E594 HydrophobicContact CD1-CG 4.37Å; I538-E594 HydrophobicContact CG1-CG 3.83Å; I538-P595 HydrophobicContact CG2-CB 4.36Å; I538-P595 WeakPolarHBondContact CG2-O 3.36Å; I538-P595 PolarHBondContact N-O 3.21Å; I538-F597 VanDerWaalsContact CG2-C 3.41Å; I538-N598 WeakPolarHBondContact CB-OD1 3.48Å; I538-N598 WeakPolarHBondContact CG2-OD1 3.49Å
539	H	71.1	Confident	79.1	Confident	116 Å²	116	58 Å²	58	54%	0.537	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	9.2	174.3	-58.1	118.1	0	0	0	113	T537 Y541 E594	T537-H539 PolarHBondContact O-N 3.36Å; H539-Y541 HydrophobicContact CB-CD2 3.87Å; H539-Y541 HydrophobicContact CB-CE2 3.64Å; H539-Y541 PolarHBondContact O-N 3.46Å; H539-E594 WeakPolarHBondContact CB-OE2 3.42Å; H539-E594 IonicContact CE1-OE1 3.62Å; H539-E594 PolarHBondContact CE1-OE1 2.68Å; H539-E594 IonicContact CG-OE1 2.77Å; H539-E594 IonicContact CG-OE2 3.16Å; H539-E594 PolarHBondContact N-OE2 3.24Å; H539-E594 IonicContact ND1-OE1 2.65Å; H539-E594 PolarHBondContact ND1-OE1 2.97Å; H539-E594 IonicContact ND1-OE2 3.27Å; H539-E594 PolarHBondContact ND1-OE2 3.46Å
540	G	65.7	Low	78.5	Confident	32 Å²	32	61.1 Å²	61.1	33%	0.33	29%	0.293	S	S	.	.			trans	81.3	8.2	173.8	0	0	0	0	0	115.3	R536 T537 I538	R536-G540 PolarHBondContact NH1-O 2.75Å; T537-G540 WeakPolarHBondContact O-CA 3.33Å; T537-G540 PolarHBondContact O-N 3.39Å; I538-G540 VanDerWaalsContact C-N 3.26Å; I538-G540 PolarHBondContact O-N 2.9Å
541	Y	78.7	Confident	77.7	Confident	101 Å²	101	61.2 Å²	61.2	40%	0.396	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-66.2	141.2	175	-61.8	-72	0	0	0	110.4	R536 T537 H539 C543 Y585 I587 E594	R536-Y541 CarbonylContact C-O 3.59Å; R536-Y541 WeakPolarHBondContact CA-O 3.46Å; T537-Y541 PolarHBondContact N-O 3.27Å; T537-Y541 WeakPolarHBondContact OG1-CB 3.46Å; T537-Y541 PolarHBondContact OG1-N 3.01Å; H539-Y541 HydrophobicContact CB-CD2 3.87Å; H539-Y541 HydrophobicContact CB-CE2 3.64Å; H539-Y541 PolarHBondContact O-N 3.46Å; Y541-C543 PolarHBondContact O-N 3.01Å; Y541-Y585 VanDerWaalsContact CB-CD2 3.45Å; Y541-Y585 AromaticContact CD1-CD2 3.89Å; Y541-Y585 HydrophobicContact CD1-CD2 3.89Å; Y541-Y585 AromaticContact CD1-CE2 3.97Å; Y541-Y585 HydrophobicContact CD1-CE2 3.97Å; Y541-Y585 AromaticContact CD2-CD2 3.73Å; Y541-Y585 HydrophobicContact CD2-CD2 3.73Å; Y541-Y585 HydrophobicContact CD2-CE1 4.46Å; Y541-Y585 AromaticContact CD2-CE2 3.35Å; Y541-Y585 HydrophobicContact CD2-CE2 3.35Å; Y541-Y585 HydrophobicContact CD2-CG 4.38Å; Y541-Y585 AromaticContact CD2-CZ 3.77Å; Y541-Y585 HydrophobicContact CE1-CE2 4.27Å; Y541-Y585 HydrophobicContact CE2-CD2 4.46Å; Y541-Y585 AromaticContact CE2-CE2 3.7Å; Y541-Y585 HydrophobicContact CE2-CE2 3.7Å; Y541-Y585 AromaticContact CG-CD2 3.41Å; Y541-Y585 HydrophobicContact CG-CD2 3.41Å; Y541-Y585 VanDerWaalsContact CG-CD2 3.41Å; Y541-Y585 AromaticContact CG-CE2 3.51Å; Y541-Y585 HydrophobicContact CG-CE2 3.51Å; Y541-Y585 HydrophobicContact CG-CG 4.12Å; Y541-I587 HydrophobicContact CE1-CD1 4.23Å; Y541-E594 WeakPolarHBondContact CD2-OE2 2.71Å
542	K	83.2	Confident	76.7	Confident	144 Å²	144	66.5 Å²	66.5	63%	0.626	32%	0.316	S	S	*	.	B	Isolated β-bridge	trans	-70.8	127.4	176.9	-176.6	-170.6	172.3	-163.1	0	108.9	Y585	K542-Y585 WeakPolarHBondContact O-CB 3.23Å
543	C	87.4	Confident	76.2	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.007	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-66.4	136.8	173.3	-62.4	0	0	0	0	110.9	A535 R536 Y541 N569 C571 C583 Y584	A535-C543 WeakPolarHBondContact O-CB 3.47Å; A535-C543 PolarHBondContact O-N 2.99Å; A535-C543 PolarHBondContact O-SG 3.44Å; A535-C543 VanDerWaalsContact O-SG 3.36Å; R536-C543 PolarHBondContact N-SG 3.34Å; Y541-C543 PolarHBondContact O-N 3.01Å; C543-N569 HydrophobicContact CB-CB 4.21Å; C543-N569 WeakPolarHBondContact CB-O 3.07Å; C543-N569 WeakPolarHBondContact O-CB 3.31Å; C543-N569 PolarHBondContact O-ND2 3.29Å; C543-N569 VanDerWaalsContact O-ND2 3.1Å; C543-C571 VanDerWaalsContact SG-SG 3.68Å; C543-C583 VanDerWaalsContact CA-SG 3.56Å; C543-C583 HydrophobicContact CB-CB 3.56Å; C543-C583 WeakPolarHBondContact CB-SG 2.94Å; C543-C583 WeakPolarHBondContact SG-CB 3.46Å; C543-C583 CovalentContact SG-SG 2.02Å; C543-C583 PolarHBondContact SG-SG 3.14Å; C543-Y584 CarbonylContact C-O 3.44Å; C543-Y584 VanDerWaalsContact CA-O 3.32Å; C543-Y584 WeakPolarHBondContact CA-O 3.39Å
544	E	89	Confident	76.1	Confident	61 Å²	61	71.6 Å²	71.6	29%	0.285	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-73.8	154.2	165.8	-70.1	-58.7	162.5	0	0	110.5	W546 V549 N569 Y584 K586 L591	E544-W546 PolarHBondContact O-N 3.1Å; E544-V549 HydrophobicContact CB-CG2 4.29Å; E544-N569 WeakPolarHBondContact O-CB 3.21Å; E544-Y584 PolarHBondContact N-O 3.15Å; E544-K586 HydrophobicContact CG-CB 4.21Å; E544-K586 WeakPolarHBondContact OE1-CB 3.42Å; E544-L591 HydrophobicContact CG-CD1 4.06Å
545	R	87.6	Confident	76.3	Confident	108 Å²	108	79 Å²	79	41%	0.408	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-69	136	177	-62.4	177.5	173.5	-111.6	1	109.6	Q547 D548 V549 N568 N569	R545-Q547 HydrophobicContact CB-CG 4.07Å; R545-Q547 PolarHBondContact O-N 2.84Å; R545-Q547 VanDerWaalsContact O-N 3.13Å; R545-D548 HydrophobicContact CB-CB 4.31Å; R545-D548 WeakPolarHBondContact CB-OD2 3.23Å; R545-D548 WeakPolarHBondContact CD-OD2 3.48Å; R545-D548 PolarHBondContact O-N 3.21Å; R545-V549 PolarHBondContact O-N 2.98Å; R545-N568 CarbonylContact C-O 3.45Å; R545-N568 WeakPolarHBondContact CA-O 3.15Å; R545-N568 PolarHBondContact NH1-OD1 3.04Å; R545-N569 HydrophobicContact CG-CB 4.05Å
546	W	86.9	Confident	76.4	Confident	3 Å²	3	82.1 Å²	82.1	1%	0.011	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-30.8	179.8	-70.3	98.4	0	0	0	113.4	E544 M551 F559 V564 A567 N568 Y570 R572 P574 W582 C583 Y584	E544-W546 PolarHBondContact O-N 3.1Å; W546-M551 HydrophobicContact CE3-CE 3.46Å; W546-M551 VanDerWaalsContact CE3-CE 3.46Å; W546-M551 HydrophobicContact CZ3-CE 3.88Å; W546-F559 HydrophobicContact CB-CE1 4.31Å; W546-F559 HydrophobicContact CB-CZ 4.33Å; W546-F559 AromaticContact CD2-CE1 3.47Å; W546-F559 HydrophobicContact CD2-CE1 3.47Å; W546-F559 VanDerWaalsContact CD2-CE1 3.47Å; W546-F559 AromaticContact CD2-CZ 3.77Å; W546-F559 HydrophobicContact CD2-CZ 3.77Å; W546-F559 AromaticContact CE2-CE1 3.82Å; W546-F559 AromaticContact CE3-CE1 3.64Å; W546-F559 HydrophobicContact CE3-CE1 3.64Å; W546-F559 AromaticContact CE3-CZ 3.49Å; W546-F559 HydrophobicContact CE3-CZ 3.49Å; W546-F559 VanDerWaalsContact CE3-CZ 3.49Å; W546-F559 AromaticContact CG-CE1 3.76Å; W546-F559 HydrophobicContact CG-CE1 3.76Å; W546-F559 HydrophobicContact CG-CZ 4.13Å; W546-F559 HydrophobicContact CH2-CE1 4.48Å; W546-F559 HydrophobicContact CZ2-CE1 4.33Å; W546-F559 HydrophobicContact CZ3-CE1 4.15Å; W546-F559 HydrophobicContact CZ3-CZ 4.05Å; W546-V564 HydrophobicContact CB-CG1 3.54Å; W546-A567 HydrophobicContact CG-CB 4.25Å; W546-N568 VanDerWaalsContact CD1-O 3.24Å; W546-N568 PolarHBondContact N-O 3.08Å; W546-Y570 PolarHBondContact NE1-O 3.39Å; W546-R572 HydrophobicContact CH2-CB 4.43Å; W546-R572 HydrophobicContact CZ2-CB 3.71Å; W546-R572 HydrophobicContact CZ2-CG 4.43Å; W546-P574 HydrophobicContact CH2-CG 4.05Å; W546-P574 HydrophobicContact CZ3-CG 3.93Å; W546-W582 HydrophobicContact CH2-CD2 4.03Å; W546-W582 AromaticContact CH2-CE3 3.8Å; W546-W582 HydrophobicContact CH2-CE3 3.8Å; W546-W582 AromaticContact CH2-CH2 3.77Å; W546-W582 HydrophobicContact CH2-CH2 3.77Å; W546-W582 AromaticContact CH2-CZ2 3.96Å; W546-W582 HydrophobicContact CH2-CZ2 3.96Å; W546-W582 AromaticContact CH2-CZ3 3.68Å; W546-W582 HydrophobicContact CH2-CZ3 3.68Å; W546-W582 VanDerWaalsContact CZ2-O 3.25Å; W546-W582 WeakPolarHBondContact CZ2-O 3.38Å; W546-W582 HydrophobicContact CZ3-CE3 4.43Å; W546-W582 AromaticContact CZ3-CH2 3.67Å; W546-W582 HydrophobicContact CZ3-CH2 3.67Å; W546-W582 HydrophobicContact CZ3-CZ2 4.11Å; W546-W582 AromaticContact CZ3-CZ3 3.85Å; W546-W582 HydrophobicContact CZ3-CZ3 3.85Å; W546-C583 HydrophobicContact CZ2-CB 4.41Å; W546-Y584 HydrophobicContact CZ3-CD2 4.34Å; W546-Y584 HydrophobicContact CZ3-CE2 4.29Å
547	Q	83.4	Confident	76.8	Confident	86 Å²	86	82.1 Å²	82.1	40%	0.402	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-27	177.4	73.6	-174.8	8	0	0	113.4	R545 V549	R545-Q547 HydrophobicContact CB-CG 4.07Å; R545-Q547 PolarHBondContact O-N 2.84Å; R545-Q547 VanDerWaalsContact O-N 3.13Å; Q547-V549 VanDerWaalsContact C-N 3.34Å
548	D	82.3	Confident	76.9	Confident	100 Å²	100	85.3 Å²	85.3	54%	0.535	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-18.5	-175.9	-62.6	-14.3	0	0	0	110.9	R545	R545-D548 HydrophobicContact CB-CB 4.31Å; R545-D548 WeakPolarHBondContact CB-OD2 3.23Å; R545-D548 WeakPolarHBondContact CD-OD2 3.48Å; R545-D548 PolarHBondContact O-N 3.21Å
549	V	76.6	Confident	77.6	Confident	19 Å²	19	84.4 Å²	84.4	12%	0.115	39%	0.392	C	S	.	.	S	Bend	trans	-83.4	119.8	169.5	-176.1	0	0	0	0	108.1	E544 R545 Q547 M551 Y584 L591	E544-V549 HydrophobicContact CB-CG2 4.29Å; R545-V549 PolarHBondContact O-N 2.98Å; Q547-V549 VanDerWaalsContact C-N 3.34Å; V549-M551 VanDerWaalsContact C-N 3.28Å; V549-M551 HydrophobicContact CB-CE 3.4Å; V549-M551 HydrophobicContact CB-CG 4.42Å; V549-M551 HydrophobicContact CB-SD 4.01Å; V549-M551 HydrophobicContact CG1-CE 3.42Å; V549-M551 VanDerWaalsContact CG1-CE 3.42Å; V549-M551 HydrophobicContact CG1-CG 4.34Å; V549-M551 HydrophobicContact CG1-SD 3.48Å; V549-M551 WeakPolarHBondContact CG1-SD 3.29Å; V549-M551 HydrophobicContact CG2-CE 4.04Å; V549-M551 WeakPolarHBondContact O-CG 3.36Å; V549-M551 PolarHBondContact O-N 2.71Å; V549-Y584 HydrophobicContact CB-CD2 4.41Å; V549-Y584 HydrophobicContact CG1-CD2 4.05Å; V549-Y584 HydrophobicContact CG1-CE2 4.21Å; V549-Y584 HydrophobicContact CG1-CG 4.4Å; V549-Y584 HydrophobicContact CG2-CD2 4.06Å; V549-Y584 HydrophobicContact CG2-CG 4.17Å; V549-L591 HydrophobicContact CB-CD2 4.11Å; V549-L591 HydrophobicContact CG1-CD2 3.31Å; V549-L591 HydrophobicContact CG2-CD1 4.3Å; V549-L591 HydrophobicContact CG2-CD2 3.69Å
550	K	67.6	Low	78	Confident	164 Å²	164	81.7 Å²	81.7	71%	0.713	39%	0.385	S	S	*	.			trans	-65	87.7	173	-75.7	-175.6	-179.9	177.3	0	110.1
551	M	63	Low	78.8	Confident	40 Å²	40	82.1 Å²	82.1	20%	0.197	38%	0.38	C	S	.	.			trans	-84.6	112.8	176.6	-55.6	-62.2	-173.4	0	0	109.8	W546 V549 N553 F554 Y584	W546-M551 HydrophobicContact CE3-CE 3.46Å; W546-M551 VanDerWaalsContact CE3-CE 3.46Å; W546-M551 HydrophobicContact CZ3-CE 3.88Å; V549-M551 VanDerWaalsContact C-N 3.28Å; V549-M551 HydrophobicContact CB-CE 3.4Å; V549-M551 HydrophobicContact CB-CG 4.42Å; V549-M551 HydrophobicContact CB-SD 4.01Å; V549-M551 HydrophobicContact CG1-CE 3.42Å; V549-M551 VanDerWaalsContact CG1-CE 3.42Å; V549-M551 HydrophobicContact CG1-CG 4.34Å; V549-M551 HydrophobicContact CG1-SD 3.48Å; V549-M551 WeakPolarHBondContact CG1-SD 3.29Å; V549-M551 HydrophobicContact CG2-CE 4.04Å; V549-M551 WeakPolarHBondContact O-CG 3.36Å; V549-M551 PolarHBondContact O-N 2.71Å; M551-N553 VanDerWaalsContact C-N 3.31Å; M551-F554 HydrophobicContact CB-CB 4.32Å; M551-F554 HydrophobicContact CB-CD2 4.13Å; M551-F554 HydrophobicContact CE-CD2 4.48Å; M551-F554 HydrophobicContact CG-CD2 4Å; M551-F554 HydrophobicContact SD-CD2 3.72Å; M551-F554 HydrophobicContact SD-CE2 4.1Å; M551-Y584 HydrophobicContact CE-CD2 3.24Å; M551-Y584 HydrophobicContact CE-CE2 3.08Å; M551-Y584 HydrophobicContact SD-CD2 4.23Å; M551-Y584 HydrophobicContact SD-CE2 3.53Å; M551-Y584 VanDerWaalsContact SD-CE2 3.53Å
552	H	56.1	Low	78.9	Confident	143 Å²	143	79.7 Å²	79.7	66%	0.662	39%	0.386	S	S	*	.	S	Bend	trans	-77.1	-21.2	168.3	-70.6	-64.7	0	0	0	112.7	I928	H552-I928 WeakPolarHBondContact CD2-CD1 3.41Å; H552-I928 WeakPolarHBondContact NE2-CD1 3.09Å
553	N	65.3	Low	78.9	Confident	131 Å²	131	73.7 Å²	73.7	70%	0.701	36%	0.362	S	S	*	.	S	Bend	trans	-107.7	-16.1	-165.4	-65.2	-13.7	0	0	0	115.2	M551	M551-N553 VanDerWaalsContact C-N 3.31Å
554	F	74.1	Confident	78.7	Confident	38 Å²	38	74.7 Å²	74.7	17%	0.167	37%	0.368	C	S	.	.			trans	-109.7	115	-175.9	-54.1	-57	0	0	0	111.8	M551 F559 P574 D575 W582	M551-F554 HydrophobicContact CB-CB 4.32Å; M551-F554 HydrophobicContact CB-CD2 4.13Å; M551-F554 HydrophobicContact CE-CD2 4.48Å; M551-F554 HydrophobicContact CG-CD2 4Å; M551-F554 HydrophobicContact SD-CD2 3.72Å; M551-F554 HydrophobicContact SD-CE2 4.1Å; F554-F559 HydrophobicContact CB-CE2 3.92Å; F554-F559 HydrophobicContact CB-CZ 4.38Å; F554-P574 HydrophobicContact CD1-CB 3.93Å; F554-P574 HydrophobicContact CD1-CG 4.05Å; F554-P574 HydrophobicContact CD2-CG 4.49Å; F554-P574 HydrophobicContact CE1-CB 4.33Å; F554-P574 HydrophobicContact CE1-CG 4.16Å; F554-P574 HydrophobicContact CG-CB 4.34Å; F554-P574 HydrophobicContact CG-CG 4.23Å; F554-P574 HydrophobicContact CZ-CG 4.42Å; F554-D575 HydrophobicContact CE1-CB 3.81Å; F554-D575 HydrophobicContact CZ-CB 4.11Å; F554-W582 AromaticContact CE2-CH2 3.96Å; F554-W582 HydrophobicContact CE2-CH2 3.96Å; F554-W582 HydrophobicContact CE2-CZ2 4.18Å; F554-W582 HydrophobicContact CZ-CH2 4.26Å; F554-W582 HydrophobicContact CZ-CZ2 4.05Å
555	R	78.6	Confident	78.4	Confident	185 Å²	185	80.7 Å²	80.7	70%	0.698	39%	0.388	S	S	*	.			trans	-95.2	159.6	171.3	-61.9	-180	-176.8	175.7	3.6	111.1	H557 H558	R555-H557 PolarHBondContact O-N 3.28Å; R555-H558 PolarHBondContact N-ND1 2.87Å; R555-H558 VanDerWaalsContact N-ND1 3.15Å; R555-H558 WeakPolarHBondContact O-CB 3.46Å; R555-H558 PolarHBondContact O-N 2Å; R555-H558 PolarHBondContact O-ND1 3.04Å
556	D	83	Confident	78.1	Confident	85 Å²	85	81.6 Å²	81.6	46%	0.455	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-43.9	-41.6	-179.4	-76.7	-23.3	0	0	0	115	H558 F559 S563 V564	D556-H558 PolarHBondContact O-N 3.27Å; D556-H558 VanDerWaalsContact O-N 3.16Å; D556-F559 PolarHBondContact O-N 3.43Å; D556-F559 VanDerWaalsContact O-N 3.08Å; D556-S563 VanDerWaalsContact OD1-CA 3.31Å; D556-S563 WeakPolarHBondContact OD1-CA 3.06Å; D556-S563 WeakPolarHBondContact OD1-CB 3.4Å; D556-V564 WeakPolarHBondContact OD1-CG2 3.17Å; D556-V564 PolarHBondContact OD1-N 3.45Å
557	H	82	Confident	78	Confident	134 Å²	134	81.5 Å²	81.5	62%	0.62	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-69.4	-9.4	-177.9	67.8	-89.2	0	0	0	115.4	R555 F559	R555-H557 PolarHBondContact O-N 3.28Å; H557-F559 VanDerWaalsContact C-N 3.32Å
558	H	82.6	Confident	78.1	Confident	74 Å²	74	79 Å²	79	34%	0.343	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-82.8	-13.5	172.7	-59.2	99.9	0	0	0	112.4	R555 D556 P574	R555-H558 PolarHBondContact N-ND1 2.87Å; R555-H558 VanDerWaalsContact N-ND1 3.15Å; R555-H558 WeakPolarHBondContact O-CB 3.46Å; R555-H558 PolarHBondContact O-N 2Å; R555-H558 PolarHBondContact O-ND1 3.04Å; D556-H558 PolarHBondContact O-N 3.27Å; D556-H558 VanDerWaalsContact O-N 3.16Å; H558-P574 HydrophobicContact CB-CB 3.78Å
559	F	84.8	Confident	78.5	Confident	8 Å²	8	75.5 Å²	75.5	4%	0.035	37%	0.367	C	S	.	.	S	Bend	trans	-95.9	133.3	-179.7	-70.1	-92.8	0	0	0	110.3	W546 F554 D556 H557 D561 G562 V564 A567 R572 P574	W546-F559 HydrophobicContact CB-CE1 4.31Å; W546-F559 HydrophobicContact CB-CZ 4.33Å; W546-F559 AromaticContact CD2-CE1 3.47Å; W546-F559 HydrophobicContact CD2-CE1 3.47Å; W546-F559 VanDerWaalsContact CD2-CE1 3.47Å; W546-F559 AromaticContact CD2-CZ 3.77Å; W546-F559 HydrophobicContact CD2-CZ 3.77Å; W546-F559 AromaticContact CE2-CE1 3.82Å; W546-F559 AromaticContact CE3-CE1 3.64Å; W546-F559 HydrophobicContact CE3-CE1 3.64Å; W546-F559 AromaticContact CE3-CZ 3.49Å; W546-F559 HydrophobicContact CE3-CZ 3.49Å; W546-F559 VanDerWaalsContact CE3-CZ 3.49Å; W546-F559 AromaticContact CG-CE1 3.76Å; W546-F559 HydrophobicContact CG-CE1 3.76Å; W546-F559 HydrophobicContact CG-CZ 4.13Å; W546-F559 HydrophobicContact CH2-CE1 4.48Å; W546-F559 HydrophobicContact CZ2-CE1 4.33Å; W546-F559 HydrophobicContact CZ3-CE1 4.15Å; W546-F559 HydrophobicContact CZ3-CZ 4.05Å; F554-F559 HydrophobicContact CB-CE2 3.92Å; F554-F559 HydrophobicContact CB-CZ 4.38Å; D556-F559 PolarHBondContact O-N 3.43Å; D556-F559 VanDerWaalsContact O-N 3.08Å; H557-F559 VanDerWaalsContact C-N 3.32Å; F559-D561 PolarHBondContact O-N 3.01Å; F559-G562 PolarHBondContact O-N 3.01Å; F559-V564 HydrophobicContact CD2-CB 4.47Å; F559-V564 HydrophobicContact CD2-CG2 3.79Å; F559-V564 HydrophobicContact CE2-CB 4.27Å; F559-V564 HydrophobicContact CE2-CG1 4.3Å; F559-V564 HydrophobicContact CE2-CG2 3.56Å; F559-V564 HydrophobicContact CZ-CG1 4.36Å; F559-V564 HydrophobicContact CZ-CG2 4.4Å; F559-A567 HydrophobicContact CD1-CB 3.45Å; F559-A567 VanDerWaalsContact CD1-CB 3.45Å; F559-A567 HydrophobicContact CE1-CB 3.91Å; F559-A567 HydrophobicContact CG-CB 4.21Å; F559-R572 HydrophobicContact CD1-CB 4.02Å; F559-R572 HydrophobicContact CD1-CG 3.96Å; F559-R572 HydrophobicContact CE1-CB 4.05Å; F559-R572 HydrophobicContact CE1-CG 4.28Å; F559-P574 HydrophobicContact CE1-CB 4.36Å; F559-P574 HydrophobicContact CE1-CG 4.22Å; F559-P574 HydrophobicContact CE2-CB 4.2Å; F559-P574 HydrophobicContact CZ-CB 4.1Å; F559-P574 HydrophobicContact CZ-CG 4.01Å
560	P	81.3	Confident	79.1	Confident	59 Å²	59	77.4 Å²	77.4	38%	0.383	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.7	176	26.3	-32.8	0	0	0	112.4	Y530 G562	Y530-P560 WeakPolarHBondContact O-CG 3.44Å; P560-G562 PolarHBondContact O-N 2.86Å
561	D	81.3	Confident	80.1	Confident	40 Å²	40	69.6 Å²	69.6	21%	0.214	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-1.1	175.6	-40.7	-94.6	0	0	0	113.7	F559 S563 H566 A567 R572	F559-D561 PolarHBondContact O-N 3.01Å; D561-S563 PolarHBondContact O-N 3.07Å; D561-S563 VanDerWaalsContact O-N 3.13Å; D561-H566 HydrophobicContact CB-CB 3.67Å; D561-H566 PolarHBondContact O-ND1 3.02Å; D561-A567 WeakPolarHBondContact OD2-CB 3.12Å; D561-R572 IonicContact OD1-CZ 3.05Å; D561-R572 IonicContact OD1-NE 2.95Å; D561-R572 PolarHBondContact OD1-NE 3.32Å; D561-R572 IonicContact OD1-NH2 3.82Å; D561-R572 PolarHBondContact OD1-NH2 3.12Å; D561-R572 WeakPolarHBondContact OD2-CD 3.11Å; D561-R572 IonicContact OD2-CZ 2.9Å; D561-R572 IonicContact OD2-NE 2.85Å; D561-R572 PolarHBondContact OD2-NE 3.05Å; D561-R572 IonicContact OD2-NH2 4Å
562	G	80.1	Confident	81.4	Confident	51 Å²	51	67.8 Å²	67.8	53%	0.526	33%	0.329	S	S	.	.	S	Bend	trans	77	-14	-179.7	0	0	0	0	0	115.2	F559 P560	F559-G562 PolarHBondContact O-N 3.01Å; P560-G562 PolarHBondContact O-N 2.86Å
563	S	83.2	Confident	83.1	Confident	18 Å²	18	61.1 Å²	61.1	13%	0.126	30%	0.299	C	S	.	.	S	Bend	trans	-150.2	154.5	170.6	75.5	0	0	0	0	112.8	D556 D561 R565 H566 A567	D556-S563 VanDerWaalsContact OD1-CA 3.31Å; D556-S563 WeakPolarHBondContact OD1-CA 3.06Å; D556-S563 WeakPolarHBondContact OD1-CB 3.4Å; D561-S563 PolarHBondContact O-N 3.07Å; D561-S563 VanDerWaalsContact O-N 3.13Å; S563-R565 PolarHBondContact O-N 2.7Å; S563-H566 PolarHBondContact O-N 2.94Å; S563-H566 WeakPolarHBondContact OG-CB 3.29Å; S563-H566 PolarHBondContact OG-N 3.19Å; S563-H566 VanDerWaalsContact OG-N 3.09Å; S563-H566 PolarHBondContact OG-ND1 2.76Å; S563-H566 VanDerWaalsContact OG-ND1 3.11Å; S563-A567 PolarHBondContact O-N 3.18Å
564	V	83.4	Confident	84.1	Confident	21 Å²	21	55.3 Å²	55.3	13%	0.127	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-36.1	174.1	-173.8	0	0	0	0	110.8	W546 D556 F559 A567	W546-V564 HydrophobicContact CB-CG1 3.54Å; D556-V564 WeakPolarHBondContact OD1-CG2 3.17Å; D556-V564 PolarHBondContact OD1-N 3.45Å; F559-V564 HydrophobicContact CD2-CB 4.47Å; F559-V564 HydrophobicContact CD2-CG2 3.79Å; F559-V564 HydrophobicContact CE2-CB 4.27Å; F559-V564 HydrophobicContact CE2-CG1 4.3Å; F559-V564 HydrophobicContact CE2-CG2 3.56Å; F559-V564 HydrophobicContact CZ-CG1 4.36Å; F559-V564 HydrophobicContact CZ-CG2 4.4Å; V564-A567 PolarHBondContact O-N 3.38Å
565	R	82.5	Confident	84.7	Confident	188 Å²	188	56.4 Å²	56.4	71%	0.709	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-40.4	179.2	-176.6	172	-178.9	-177.3	1.3	112.4	S563 N568	S563-R565 PolarHBondContact O-N 2.7Å; R565-N568 PolarHBondContact O-N 3.43Å
566	H	82.3	Confident	85	Confident	127 Å²	127	55.3 Å²	55.3	59%	0.588	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-29.8	179.4	-66.6	153	0	0	0	113.2	D561 S563 N568	D561-H566 HydrophobicContact CB-CB 3.67Å; D561-H566 PolarHBondContact O-ND1 3.02Å; S563-H566 PolarHBondContact O-N 2.94Å; S563-H566 WeakPolarHBondContact OG-CB 3.29Å; S563-H566 PolarHBondContact OG-N 3.19Å; S563-H566 VanDerWaalsContact OG-N 3.09Å; S563-H566 PolarHBondContact OG-ND1 2.76Å; S563-H566 VanDerWaalsContact OG-ND1 3.11Å; H566-N568 PolarHBondContact O-N 3.11Å; H566-N568 VanDerWaalsContact O-N 3.1Å
567	A	83.8	Confident	85	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.1	170.7	0	0	0	0	0	112.6	W546 F559 D561 S563 V564 N569 Y570 R572	W546-A567 HydrophobicContact CG-CB 4.25Å; F559-A567 HydrophobicContact CD1-CB 3.45Å; F559-A567 VanDerWaalsContact CD1-CB 3.45Å; F559-A567 HydrophobicContact CE1-CB 3.91Å; F559-A567 HydrophobicContact CG-CB 4.21Å; D561-A567 WeakPolarHBondContact OD2-CB 3.12Å; S563-A567 PolarHBondContact O-N 3.18Å; V564-A567 PolarHBondContact O-N 3.38Å; A567-N569 PolarHBondContact O-N 3.11Å; A567-N569 VanDerWaalsContact O-N 3.15Å; A567-Y570 WeakPolarHBondContact O-CB 3.39Å; A567-Y570 WeakPolarHBondContact O-CD2 3.07Å; A567-Y570 PolarHBondContact O-N 3.09Å; A567-R572 HydrophobicContact CB-CG 4.12Å
568	N	87.2	Confident	84.9	Confident	35 Å²	35	48.5 Å²	48.5	19%	0.187	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	-117.4	176.8	-168.3	1.8	0	0	0	110.9	R545 W546 R565 H566 Y570	R545-N568 CarbonylContact C-O 3.45Å; R545-N568 WeakPolarHBondContact CA-O 3.15Å; R545-N568 PolarHBondContact NH1-OD1 3.04Å; W546-N568 VanDerWaalsContact CD1-O 3.24Å; W546-N568 PolarHBondContact N-O 3.08Å; R565-N568 PolarHBondContact O-N 3.43Å; H566-N568 PolarHBondContact O-N 3.11Å; H566-N568 VanDerWaalsContact O-N 3.1Å; N568-Y570 HydrophobicContact CB-CD2 4.11Å; N568-Y570 HydrophobicContact CB-CE2 4.07Å
569	N	89.2	Confident	84.9	Confident	25 Å²	25	45.1 Å²	45.1	13%	0.134	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	22.3	170.2	72.1	-34.3	0	0	0	112	A535 C543 E544 R545 A567	A535-N569 WeakPolarHBondContact CA-O 3.28Å; A535-N569 WeakPolarHBondContact CB-O 3.13Å; C543-N569 HydrophobicContact CB-CB 4.21Å; C543-N569 WeakPolarHBondContact CB-O 3.07Å; C543-N569 WeakPolarHBondContact O-CB 3.31Å; C543-N569 PolarHBondContact O-ND2 3.29Å; C543-N569 VanDerWaalsContact O-ND2 3.1Å; E544-N569 WeakPolarHBondContact O-CB 3.21Å; R545-N569 HydrophobicContact CG-CB 4.05Å; A567-N569 PolarHBondContact O-N 3.11Å; A567-N569 VanDerWaalsContact O-N 3.15Å
570	Y	88.9	Confident	85	Confident	60 Å²	60	44.8 Å²	44.8	24%	0.235	23%	0.232	C	C	.	.	S	Bend	trans	-76.6	147.4	178.7	-57.1	-50.1	0	0	0	110.8	T533 T534 A535 W546 A567 N568 R572	T533-Y570 VanDerWaalsContact CA-CD1 3.49Å; T533-Y570 HydrophobicContact CG2-CE1 4.22Å; T533-Y570 HydrophobicContact CG2-CE2 4.41Å; T533-Y570 WeakPolarHBondContact O-CD1 3.37Å; T533-Y570 VanDerWaalsContact O-CE1 3.25Å; T533-Y570 WeakPolarHBondContact O-CE1 3.47Å; T534-Y570 CarbonylContact O-C 3.49Å; T534-Y570 VanDerWaalsContact O-CA 3.28Å; T534-Y570 WeakPolarHBondContact O-CA 3.1Å; A535-Y570 HydrophobicContact CB-CD1 3.99Å; A535-Y570 HydrophobicContact CB-CE1 4.46Å; W546-Y570 PolarHBondContact NE1-O 3.39Å; A567-Y570 WeakPolarHBondContact O-CB 3.39Å; A567-Y570 WeakPolarHBondContact O-CD2 3.07Å; A567-Y570 PolarHBondContact O-N 3.09Å; N568-Y570 HydrophobicContact CB-CD2 4.11Å; N568-Y570 HydrophobicContact CB-CE2 4.07Å; Y570-R572 VanDerWaalsContact CB-NH1 3.31Å; Y570-R572 PolarHBondContact O-N 3.27Å
571	C	88.7	Confident	85.4	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.			trans	-63.9	130.4	178.5	-61.9	0	0	0	0	110.2	Y530 T534 R536 C543 P581 W582 C596 F597	Y530-C571 WeakPolarHBondContact CD1-O 3.42Å; Y530-C571 HydrophobicContact CE1-CB 4.4Å; T534-C571 PolarHBondContact O-N 2.84Å; T534-C571 PolarHBondContact O-SG 3.48Å; R536-C571 PolarHBondContact O-SG 3.01Å; C543-C571 VanDerWaalsContact SG-SG 3.68Å; C571-P581 HydrophobicContact CB-CB 4.12Å; C571-W582 WeakPolarHBondContact CA-O 3.24Å; C571-C596 HydrophobicContact CB-CB 3.46Å; C571-C596 VanDerWaalsContact CB-CB 3.46Å; C571-C596 WeakPolarHBondContact CB-SG 3.38Å; C571-C596 WeakPolarHBondContact SG-CB 3.37Å; C571-C596 CovalentContact SG-SG 2Å; C571-C596 PolarHBondContact SG-SG 3.44Å; C571-F597 HydrophobicContact CB-CE2 4.42Å
572	R	92.1	Very high	85.9	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.008	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-141	163.8	-177.9	-64.4	-64.8	-179.7	-101.1	5.6	109.1	Y530 S531 G532 W546 F559 D561 A567 Y570 P574 W582	Y530-R572 WeakPolarHBondContact O-CD 3.45Å; S531-R572 PolarHBondContact O-NH2 2.79Å; S531-R572 VanDerWaalsContact O-NH2 3.12Å; G532-R572 PolarHBondContact O-NH1 2.91Å; G532-R572 PolarHBondContact O-NH2 2.8Å; G532-R572 VanDerWaalsContact O-NH2 3.1Å; W546-R572 HydrophobicContact CH2-CB 4.43Å; W546-R572 HydrophobicContact CZ2-CB 3.71Å; W546-R572 HydrophobicContact CZ2-CG 4.43Å; F559-R572 HydrophobicContact CD1-CB 4.02Å; F559-R572 HydrophobicContact CD1-CG 3.96Å; F559-R572 HydrophobicContact CE1-CB 4.05Å; F559-R572 HydrophobicContact CE1-CG 4.28Å; D561-R572 IonicContact OD1-CZ 3.05Å; D561-R572 IonicContact OD1-NE 2.95Å; D561-R572 PolarHBondContact OD1-NE 3.32Å; D561-R572 IonicContact OD1-NH2 3.82Å; D561-R572 PolarHBondContact OD1-NH2 3.12Å; D561-R572 WeakPolarHBondContact OD2-CD 3.11Å; D561-R572 IonicContact OD2-CZ 2.9Å; D561-R572 IonicContact OD2-NE 2.85Å; D561-R572 PolarHBondContact OD2-NE 3.05Å; D561-R572 IonicContact OD2-NH2 4Å; A567-R572 HydrophobicContact CB-CG 4.12Å; Y570-R572 VanDerWaalsContact CB-NH1 3.31Å; Y570-R572 PolarHBondContact O-N 3.27Å; R572-P574 WeakPolarHBondContact O-CD 2.88Å; R572-W582 PolarHBondContact N-O 3.41Å; R572-W582 PolarHBondContact O-N 3.2Å
573	N	91	Very high	86.4	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.016	18%	0.178	C	C	.	.			trans	-126.6	62.4	179.2	-164.6	5.7	0	0	0	111.8	S526 D575 K576 S577 G580 W582	S526-N573 PolarHBondContact O-ND2 3.35Å; N573-D575 VanDerWaalsContact C-N 3.27Å; N573-D575 PolarHBondContact O-N 3.5Å; N573-D575 PolarHBondContact OD1-OD1 3.12Å; N573-K576 PolarHBondContact O-N 2.93Å; N573-K576 VanDerWaalsContact O-N 3.15Å; N573-K576 PolarHBondContact OD1-N 3.3Å; N573-S577 PolarHBondContact ND2-N 3.19Å; N573-S577 PolarHBondContact ND2-O 2.9Å; N573-S577 WeakPolarHBondContact OD1-CB 2.91Å; N573-S577 PolarHBondContact OD1-N 2.8Å; N573-G580 PolarHBondContact ND2-O 3.05Å; N573-W582 PolarHBondContact OD1-NE1 3.3Å
574	P	86.8	Confident	86.7	Confident	9 Å²	9	37.9 Å²	37.9	6%	0.058	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-25.7	-173	28.2	-35.6	0	0	0	113.5	W546 F554 H558 F559 R572 W582	W546-P574 HydrophobicContact CH2-CG 4.05Å; W546-P574 HydrophobicContact CZ3-CG 3.93Å; F554-P574 HydrophobicContact CD1-CB 3.93Å; F554-P574 HydrophobicContact CD1-CG 4.05Å; F554-P574 HydrophobicContact CD2-CG 4.49Å; F554-P574 HydrophobicContact CE1-CB 4.33Å; F554-P574 HydrophobicContact CE1-CG 4.16Å; F554-P574 HydrophobicContact CG-CB 4.34Å; F554-P574 HydrophobicContact CG-CG 4.23Å; F554-P574 HydrophobicContact CZ-CG 4.42Å; H558-P574 HydrophobicContact CB-CB 3.78Å; F559-P574 HydrophobicContact CE1-CB 4.36Å; F559-P574 HydrophobicContact CE1-CG 4.22Å; F559-P574 HydrophobicContact CE2-CB 4.2Å; F559-P574 HydrophobicContact CZ-CB 4.1Å; F559-P574 HydrophobicContact CZ-CG 4.01Å; R572-P574 WeakPolarHBondContact O-CD 2.88Å; P574-W582 HydrophobicContact CG-CZ2 4.07Å
575	D	85.3	Confident	86.8	Confident	61 Å²	61	37.6 Å²	37.6	33%	0.326	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	4.1	177.2	67.4	-23.5	0	0	0	113.5	F554 N573 S577 W582 R593	F554-D575 HydrophobicContact CE1-CB 3.81Å; F554-D575 HydrophobicContact CZ-CB 4.11Å; N573-D575 VanDerWaalsContact C-N 3.27Å; N573-D575 PolarHBondContact O-N 3.5Å; N573-D575 PolarHBondContact OD1-OD1 3.12Å; D575-S577 PolarHBondContact O-N 3.38Å; D575-S577 WeakPolarHBondContact OD1-CB 3.24Å; D575-S577 PolarHBondContact OD1-N 3.44Å; D575-W582 PolarHBondContact OD1-NE1 3.15Å; D575-R593 IonicContact OD1-NH2 3.59Å; D575-R593 PolarHBondContact OD1-NH2 3.44Å; D575-R593 IonicContact OD2-CZ 3.67Å; D575-R593 IonicContact OD2-NH1 3.44Å; D575-R593 PolarHBondContact OD2-NH1 3.12Å; D575-R593 IonicContact OD2-NH2 3.83Å; D575-R593 PolarHBondContact OD2-NH2 2.8Å
576	K	84.8	Confident	86.8	Confident	161 Å²	161	33.8 Å²	33.8	70%	0.7	16%	0.162	S	C	*	.			trans	53.9	34.8	-175.5	-55.6	-180	-178.6	179.2	0	112.9	A528 N573	A528-K576 HydrophobicContact CB-CG 4.39Å; N573-K576 PolarHBondContact O-N 2.93Å; N573-K576 VanDerWaalsContact O-N 3.15Å; N573-K576 PolarHBondContact OD1-N 3.3Å
577	S	84.4	Confident	86.6	Confident	10 Å²	10	31.1 Å²	31.1	7%	0.07	15%	0.151	C	C	.	.			trans	-51.3	135.2	176.8	177.2	0	0	0	0	111.8	S526 N573 D575 C579 G580 R593	S526-S577 WeakPolarHBondContact CB-O 3.43Å; N573-S577 PolarHBondContact ND2-N 3.19Å; N573-S577 PolarHBondContact ND2-O 2.9Å; N573-S577 WeakPolarHBondContact OD1-CB 2.91Å; N573-S577 PolarHBondContact OD1-N 2.8Å; D575-S577 PolarHBondContact O-N 3.38Å; D575-S577 WeakPolarHBondContact OD1-CB 3.24Å; D575-S577 PolarHBondContact OD1-N 3.44Å; S577-C579 PolarHBondContact O-N 2.6Å; S577-C579 WeakPolarHBondContact OG-CB 3.25Å; S577-C579 PolarHBondContact OG-N 3.04Å; S577-C579 PolarHBondContact OG-SG 2.79Å; S577-G580 PolarHBondContact O-N 3.17Å; S577-R593 PolarHBondContact OG-NH2 2.81Å
578	P	79.9	Confident	86.4	Confident	67 Å²	67	34.1 Å²	34.1	44%	0.435	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.5	174.6	28.7	-35.3	0	0	0	112.2	R521 G580	R521-P578 PolarHBondContact NH1-O 3.44Å; R521-P578 PolarHBondContact NH2-O 3.28Å; P578-G580 PolarHBondContact O-N 3.23Å
579	C	82.4	Confident	85.7	Confident	3 Å²	3	38.4 Å²	38.4	2%	0.02	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-16.1	177.9	-46.2	0	0	0	0	113.3	R521 S577 P595 C921	R521-C579 PolarHBondContact NE-O 3.05Å; S577-C579 PolarHBondContact O-N 2.6Å; S577-C579 WeakPolarHBondContact OG-CB 3.25Å; S577-C579 PolarHBondContact OG-N 3.04Å; S577-C579 PolarHBondContact OG-SG 2.79Å; C579-P595 HydrophobicContact CB-CG 3.96Å; C579-C921 HydrophobicContact CB-CB 3.83Å; C579-C921 WeakPolarHBondContact CB-SG 3.32Å; C579-C921 VanDerWaalsContact SG-CA 3.55Å; C579-C921 WeakPolarHBondContact SG-CB 3.36Å; C579-C921 CovalentContact SG-SG 2.01Å; C579-C921 PolarHBondContact SG-SG 3.03Å
580	G	86.1	Confident	85.2	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.226	C	C	.	.			trans	96	-168.9	-173.6	0	0	0	0	0	113.8	S526 N573 S577 P578	S526-G580 VanDerWaalsContact O-CA 3.3Å; S526-G580 WeakPolarHBondContact O-CA 3.46Å; N573-G580 PolarHBondContact ND2-O 3.05Å; S577-G580 PolarHBondContact O-N 3.17Å; P578-G580 PolarHBondContact O-N 3.23Å
581	P	90.4	Very high	84.9	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-61.8	135.3	173.7	-18.7	32.2	0	0	0	110.8	M527 Y530 C571 C596 F597	M527-P581 HydrophobicContact CB-CG 3.75Å; M527-P581 HydrophobicContact CE-CG 4.12Å; Y530-P581 HydrophobicContact CD1-CB 4.02Å; Y530-P581 HydrophobicContact CD1-CG 4.05Å; Y530-P581 HydrophobicContact CG-CB 4.42Å; Y530-P581 HydrophobicContact CG-CG 3.95Å; C571-P581 HydrophobicContact CB-CB 4.12Å; P581-C596 PolarHBondContact O-N 3.14Å; P581-F597 HydrophobicContact CB-CD2 3.98Å; P581-F597 HydrophobicContact CB-CE2 3.85Å; P581-F597 HydrophobicContact CG-CD2 3.93Å; P581-F597 HydrophobicContact CG-CE2 3.93Å
582	W	91.5	Very high	84.8	Confident	1 Å²	1	44.1 Å²	44.1	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	173.4	-173.6	60.1	-91.9	0	0	0	109.2	W546 F554 C571 R572 N573 P574 D575 Y584 R593 E594	W546-W582 HydrophobicContact CH2-CD2 4.03Å; W546-W582 AromaticContact CH2-CE3 3.8Å; W546-W582 HydrophobicContact CH2-CE3 3.8Å; W546-W582 AromaticContact CH2-CH2 3.77Å; W546-W582 HydrophobicContact CH2-CH2 3.77Å; W546-W582 AromaticContact CH2-CZ2 3.96Å; W546-W582 HydrophobicContact CH2-CZ2 3.96Å; W546-W582 AromaticContact CH2-CZ3 3.68Å; W546-W582 HydrophobicContact CH2-CZ3 3.68Å; W546-W582 VanDerWaalsContact CZ2-O 3.25Å; W546-W582 WeakPolarHBondContact CZ2-O 3.38Å; W546-W582 HydrophobicContact CZ3-CE3 4.43Å; W546-W582 AromaticContact CZ3-CH2 3.67Å; W546-W582 HydrophobicContact CZ3-CH2 3.67Å; W546-W582 HydrophobicContact CZ3-CZ2 4.11Å; W546-W582 AromaticContact CZ3-CZ3 3.85Å; W546-W582 HydrophobicContact CZ3-CZ3 3.85Å; F554-W582 AromaticContact CE2-CH2 3.96Å; F554-W582 HydrophobicContact CE2-CH2 3.96Å; F554-W582 HydrophobicContact CE2-CZ2 4.18Å; F554-W582 HydrophobicContact CZ-CH2 4.26Å; F554-W582 HydrophobicContact CZ-CZ2 4.05Å; C571-W582 WeakPolarHBondContact CA-O 3.24Å; R572-W582 PolarHBondContact N-O 3.41Å; R572-W582 PolarHBondContact O-N 3.2Å; N573-W582 PolarHBondContact OD1-NE1 3.3Å; P574-W582 HydrophobicContact CG-CZ2 4.07Å; D575-W582 PolarHBondContact OD1-NE1 3.15Å; W582-Y584 HydrophobicContact CE3-CE2 4.49Å; W582-Y584 HydrophobicContact CH2-CD2 4.23Å; W582-Y584 AromaticContact CH2-CE2 3.43Å; W582-Y584 HydrophobicContact CH2-CE2 3.43Å; W582-Y584 VanDerWaalsContact CH2-CE2 3.43Å; W582-Y584 AromaticContact CH2-CZ 3.62Å; W582-Y584 HydrophobicContact CZ3-CD1 4.34Å; W582-Y584 AromaticContact CZ3-CD2 3.61Å; W582-Y584 HydrophobicContact CZ3-CD2 3.61Å; W582-Y584 AromaticContact CZ3-CE1 3.94Å; W582-Y584 HydrophobicContact CZ3-CE1 3.94Å; W582-Y584 AromaticContact CZ3-CE2 3.22Å; W582-Y584 HydrophobicContact CZ3-CE2 3.22Å; W582-Y584 HydrophobicContact CZ3-CG 4.19Å; W582-Y584 AromaticContact CZ3-CZ 3.43Å; W582-Y584 VanDerWaalsContact CZ3-CZ 3.43Å; W582-R593 HydrophobicContact CD2-CG 4.1Å; W582-R593 VanDerWaalsContact CD2-NE 3.32Å; W582-R593 VanDerWaalsContact CE2-CZ 3.47Å; W582-R593 HydrophobicContact CE3-CG 3.51Å; W582-R593 HydrophobicContact CZ3-CB 4.48Å; W582-R593 HydrophobicContact CZ3-CG 3.8Å; W582-E594 WeakPolarHBondContact CA-O 3.4Å; W582-E594 VanDerWaalsContact CB-O 3.31Å; W582-E594 WeakPolarHBondContact CB-O 3.47Å
583	C	91	Very high	84.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	172.4	170.2	70.9	0	0	0	0	110.8	T537 C543 W546 E594	T537-C583 WeakPolarHBondContact CG2-SG 2.87Å; C543-C583 VanDerWaalsContact CA-SG 3.56Å; C543-C583 HydrophobicContact CB-CB 3.56Å; C543-C583 WeakPolarHBondContact CB-SG 2.94Å; C543-C583 WeakPolarHBondContact SG-CB 3.46Å; C543-C583 CovalentContact SG-SG 2.02Å; C543-C583 PolarHBondContact SG-SG 3.14Å; W546-C583 HydrophobicContact CZ2-CB 4.41Å; C583-E594 PolarHBondContact N-O 3Å; C583-E594 PolarHBondContact O-N 3.02Å
584	Y	89.5	Confident	84.4	Confident	22 Å²	22	45.3 Å²	45.3	9%	0.086	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	147.4	168.4	-71.9	-70.8	0	0	0	110.9	C543 E544 W546 V549 M551 W582 L591 K592 R593 V925	C543-Y584 CarbonylContact C-O 3.44Å; C543-Y584 VanDerWaalsContact CA-O 3.32Å; C543-Y584 WeakPolarHBondContact CA-O 3.39Å; E544-Y584 PolarHBondContact N-O 3.15Å; W546-Y584 HydrophobicContact CZ3-CD2 4.34Å; W546-Y584 HydrophobicContact CZ3-CE2 4.29Å; V549-Y584 HydrophobicContact CB-CD2 4.41Å; V549-Y584 HydrophobicContact CG1-CD2 4.05Å; V549-Y584 HydrophobicContact CG1-CE2 4.21Å; V549-Y584 HydrophobicContact CG1-CG 4.4Å; V549-Y584 HydrophobicContact CG2-CD2 4.06Å; V549-Y584 HydrophobicContact CG2-CG 4.17Å; M551-Y584 HydrophobicContact CE-CD2 3.24Å; M551-Y584 HydrophobicContact CE-CE2 3.08Å; M551-Y584 HydrophobicContact SD-CD2 4.23Å; M551-Y584 HydrophobicContact SD-CE2 3.53Å; M551-Y584 VanDerWaalsContact SD-CE2 3.53Å; W582-Y584 HydrophobicContact CE3-CE2 4.49Å; W582-Y584 HydrophobicContact CH2-CD2 4.23Å; W582-Y584 AromaticContact CH2-CE2 3.43Å; W582-Y584 HydrophobicContact CH2-CE2 3.43Å; W582-Y584 VanDerWaalsContact CH2-CE2 3.43Å; W582-Y584 AromaticContact CH2-CZ 3.62Å; W582-Y584 HydrophobicContact CZ3-CD1 4.34Å; W582-Y584 AromaticContact CZ3-CD2 3.61Å; W582-Y584 HydrophobicContact CZ3-CD2 3.61Å; W582-Y584 AromaticContact CZ3-CE1 3.94Å; W582-Y584 HydrophobicContact CZ3-CE1 3.94Å; W582-Y584 AromaticContact CZ3-CE2 3.22Å; W582-Y584 HydrophobicContact CZ3-CE2 3.22Å; W582-Y584 HydrophobicContact CZ3-CG 4.19Å; W582-Y584 AromaticContact CZ3-CZ 3.43Å; W582-Y584 VanDerWaalsContact CZ3-CZ 3.43Å; Y584-L591 HydrophobicContact CD1-CD2 3.64Å; Y584-L591 HydrophobicContact CD1-CG 3.87Å; Y584-L591 HydrophobicContact CD2-CD2 4.45Å; Y584-L591 HydrophobicContact CE1-CD2 4.32Å; Y584-L591 HydrophobicContact CG-CD2 3.72Å; Y584-L591 HydrophobicContact CG-CG 4.11Å; Y584-K592 CarbonylContact C-O 3.51Å; Y584-K592 VanDerWaalsContact CA-O 3.25Å; Y584-K592 WeakPolarHBondContact CA-O 3.38Å; Y584-K592 WeakPolarHBondContact CD1-O 3.16Å; Y584-R593 HydrophobicContact CD1-CB 4.08Å; Y584-R593 HydrophobicContact CE1-CB 3.73Å; Y584-R593 HydrophobicContact CE1-CG 4.49Å; Y584-V925 HydrophobicContact CD1-CG2 4.27Å; Y584-V925 HydrophobicContact CE1-CB 4.34Å; Y584-V925 HydrophobicContact CE1-CG2 3.37Å
585	Y	85.8	Confident	84.4	Confident	15 Å²	15	44.9 Å²	44.9	6%	0.059	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	154.9	172.1	69.9	-76.6	0	0	0	109.9	T537 Y541 K542 I587 K592 E594	T537-Y585 HydrophobicContact CG2-CD1 3.9Å; T537-Y585 HydrophobicContact CG2-CG 4.32Å; Y541-Y585 VanDerWaalsContact CB-CD2 3.45Å; Y541-Y585 AromaticContact CD1-CD2 3.89Å; Y541-Y585 HydrophobicContact CD1-CD2 3.89Å; Y541-Y585 AromaticContact CD1-CE2 3.97Å; Y541-Y585 HydrophobicContact CD1-CE2 3.97Å; Y541-Y585 AromaticContact CD2-CD2 3.73Å; Y541-Y585 HydrophobicContact CD2-CD2 3.73Å; Y541-Y585 HydrophobicContact CD2-CE1 4.46Å; Y541-Y585 AromaticContact CD2-CE2 3.35Å; Y541-Y585 HydrophobicContact CD2-CE2 3.35Å; Y541-Y585 HydrophobicContact CD2-CG 4.38Å; Y541-Y585 AromaticContact CD2-CZ 3.77Å; Y541-Y585 HydrophobicContact CE1-CE2 4.27Å; Y541-Y585 HydrophobicContact CE2-CD2 4.46Å; Y541-Y585 AromaticContact CE2-CE2 3.7Å; Y541-Y585 HydrophobicContact CE2-CE2 3.7Å; Y541-Y585 AromaticContact CG-CD2 3.41Å; Y541-Y585 HydrophobicContact CG-CD2 3.41Å; Y541-Y585 VanDerWaalsContact CG-CD2 3.41Å; Y541-Y585 AromaticContact CG-CE2 3.51Å; Y541-Y585 HydrophobicContact CG-CE2 3.51Å; Y541-Y585 HydrophobicContact CG-CG 4.12Å; K542-Y585 WeakPolarHBondContact O-CB 3.23Å; Y585-I587 HydrophobicContact CD2-CD1 4.3Å; Y585-I587 HydrophobicContact CD2-CG1 3.99Å; Y585-I587 HydrophobicContact CE2-CD1 3.46Å; Y585-I587 VanDerWaalsContact CE2-CD1 3.46Å; Y585-I587 HydrophobicContact CE2-CG1 3.64Å; Y585-K592 HydrophobicContact CD1-CB 4.06Å; Y585-K592 WeakPolarHBondContact CD1-O 2.98Å; Y585-K592 HydrophobicContact CE1-CB 3.45Å; Y585-K592 VanDerWaalsContact CE1-CB 3.45Å; Y585-K592 HydrophobicContact CE2-CB 4.21Å; Y585-K592 HydrophobicContact CE2-CD 4.49Å; Y585-K592 PolarHBondContact N-O 3.21Å; Y585-K592 PolarHBondContact O-N 2.98Å; Y585-E594 HydrophobicContact CD1-CB 4.03Å; Y585-E594 HydrophobicContact CE1-CB 3.5Å; Y585-E594 VanDerWaalsContact CE1-CB 3.5Å; Y585-E594 HydrophobicContact CE1-CG 4.48Å
586	K	82.4	Confident	84.4	Confident	108 Å²	108	42.2 Å²	42.2	47%	0.47	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	124.1	-175.6	-163.5	176	-176.3	-179.8	0	110.8	E544 G588	E544-K586 HydrophobicContact CG-CB 4.21Å; E544-K586 WeakPolarHBondContact OE1-CB 3.42Å; K586-G588 WeakPolarHBondContact CE-O 3.41Å; K586-G588 WeakPolarHBondContact CG-O 3.37Å
587	I	77.4	Confident	84.1	Confident	72 Å²	72	34.8 Å²	34.8	37%	0.369	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	109.1	165.9	-71.1	-179.7	0	0	0	107.5	Y541 Y585 N589 K590 K592	Y541-I587 HydrophobicContact CE1-CD1 4.23Å; Y585-I587 HydrophobicContact CD2-CD1 4.3Å; Y585-I587 HydrophobicContact CD2-CG1 3.99Å; Y585-I587 HydrophobicContact CE2-CD1 3.46Å; Y585-I587 VanDerWaalsContact CE2-CD1 3.46Å; Y585-I587 HydrophobicContact CE2-CG1 3.64Å; I587-N589 PolarHBondContact O-N 3.32Å; I587-K590 PolarHBondContact N-O 2.78Å; I587-K590 PolarHBondContact O-N 3.2Å; I587-K592 HydrophobicContact CD1-CD 4.29Å
588	G	78.8	Confident	83.5	Confident	63 Å²	63	35 Å²	35	65%	0.649	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.3	-119.6	-173.5	0	0	0	0	0	110.7	K586	K586-G588 WeakPolarHBondContact CE-O 3.41Å; K586-G588 WeakPolarHBondContact CG-O 3.37Å
589	N	73.2	Confident	82.9	Confident	124 Å²	124	32.2 Å²	32.2	66%	0.663	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.6	1.8	173.5	-81.9	-17.8	0	0	0	114	I587	I587-N589 PolarHBondContact O-N 3.32Å
590	K	79	Confident	81.8	Confident	134 Å²	134	33.8 Å²	33.8	58%	0.583	18%	0.179	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97	134.8	-179.2	-64.1	-175	178.6	-174.6	0	110.4	I587	I587-K590 PolarHBondContact N-O 2.78Å; I587-K590 PolarHBondContact O-N 3.2Å
591	L	83	Confident	80.4	Confident	22 Å²	22	36.8 Å²	36.8	12%	0.115	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	130.1	172.9	-162.6	77.8	0	0	0	109.2	E544 V549 Y584 V925 T927	E544-L591 HydrophobicContact CG-CD1 4.06Å; V549-L591 HydrophobicContact CB-CD2 4.11Å; V549-L591 HydrophobicContact CG1-CD2 3.31Å; V549-L591 HydrophobicContact CG2-CD1 4.3Å; V549-L591 HydrophobicContact CG2-CD2 3.69Å; Y584-L591 HydrophobicContact CD1-CD2 3.64Å; Y584-L591 HydrophobicContact CD1-CG 3.87Å; Y584-L591 HydrophobicContact CD2-CD2 4.45Å; Y584-L591 HydrophobicContact CE1-CD2 4.32Å; Y584-L591 HydrophobicContact CG-CD2 3.72Å; Y584-L591 HydrophobicContact CG-CG 4.11Å; L591-V925 PolarHBondContact O-N 3.19Å; L591-V925 VanDerWaalsContact O-N 3.14Å; L591-T927 HydrophobicContact CB-CG2 4.29Å
592	K	86.4	Confident	78.6	Confident	50 Å²	50	43.3 Å²	43.3	22%	0.217	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	146.7	179.4	-63	-165	-179.8	-129.7	0	110.4	Y584 Y585 I587 D924	Y584-K592 CarbonylContact C-O 3.51Å; Y584-K592 VanDerWaalsContact CA-O 3.25Å; Y584-K592 WeakPolarHBondContact CA-O 3.38Å; Y584-K592 WeakPolarHBondContact CD1-O 3.16Å; Y585-K592 HydrophobicContact CD1-CB 4.06Å; Y585-K592 WeakPolarHBondContact CD1-O 2.98Å; Y585-K592 HydrophobicContact CE1-CB 3.45Å; Y585-K592 VanDerWaalsContact CE1-CB 3.45Å; Y585-K592 HydrophobicContact CE2-CB 4.21Å; Y585-K592 HydrophobicContact CE2-CD 4.49Å; Y585-K592 PolarHBondContact N-O 3.21Å; Y585-K592 PolarHBondContact O-N 2.98Å; I587-K592 HydrophobicContact CD1-CD 4.29Å; K592-D924 WeakPolarHBondContact CD-OD1 3.03Å; K592-D924 WeakPolarHBondContact CE-OD1 3.4Å; K592-D924 VanDerWaalsContact CG-OD1 3.3Å; K592-D924 WeakPolarHBondContact CG-OD1 3.46Å; K592-D924 IonicContact NZ-OD1 2.65Å; K592-D924 PolarHBondContact NZ-OD1 3.05Å; K592-D924 IonicContact NZ-OD2 2.66Å; K592-D924 PolarHBondContact NZ-OD2 2.9Å
593	R	87.7	Confident	76.4	Confident	26 Å²	26	48.2 Å²	48.2	10%	0.098	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	137.8	173.2	173.2	173.1	177.5	-179.8	6.5	109.4	D575 S577 W582 Y584 C922 Q923	D575-R593 IonicContact OD1-NH2 3.59Å; D575-R593 PolarHBondContact OD1-NH2 3.44Å; D575-R593 IonicContact OD2-CZ 3.67Å; D575-R593 IonicContact OD2-NH1 3.44Å; D575-R593 PolarHBondContact OD2-NH1 3.12Å; D575-R593 IonicContact OD2-NH2 3.83Å; D575-R593 PolarHBondContact OD2-NH2 2.8Å; S577-R593 PolarHBondContact OG-NH2 2.81Å; W582-R593 HydrophobicContact CD2-CG 4.1Å; W582-R593 VanDerWaalsContact CD2-NE 3.32Å; W582-R593 VanDerWaalsContact CE2-CZ 3.47Å; W582-R593 HydrophobicContact CE3-CG 3.51Å; W582-R593 HydrophobicContact CZ3-CB 4.48Å; W582-R593 HydrophobicContact CZ3-CG 3.8Å; Y584-R593 HydrophobicContact CD1-CB 4.08Å; Y584-R593 HydrophobicContact CE1-CB 3.73Å; Y584-R593 HydrophobicContact CE1-CG 4.49Å; R593-C922 WeakPolarHBondContact O-CA 3.32Å; R593-Q923 PolarHBondContact N-O 2.77Å
594	E	86.4	Confident	74.3	Confident	4 Å²	4	56 Å²	56	2%	0.019	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	146.3	172.2	-178.1	170.5	-88.5	0	0	112.4	T537 I538 H539 Y541 W582 C583 Y585	T537-E594 WeakPolarHBondContact CB-OE2 3.29Å; T537-E594 HydrophobicContact CG2-CB 3.89Å; T537-E594 HydrophobicContact CG2-CG 4.25Å; T537-E594 PolarHBondContact OG1-OE2 3.43Å; I538-E594 HydrophobicContact CD1-CG 4.37Å; I538-E594 HydrophobicContact CG1-CG 3.83Å; H539-E594 WeakPolarHBondContact CB-OE2 3.42Å; H539-E594 IonicContact CE1-OE1 3.62Å; H539-E594 PolarHBondContact CE1-OE1 2.68Å; H539-E594 IonicContact CG-OE1 2.77Å; H539-E594 IonicContact CG-OE2 3.16Å; H539-E594 PolarHBondContact N-OE2 3.24Å; H539-E594 IonicContact ND1-OE1 2.65Å; H539-E594 PolarHBondContact ND1-OE1 2.97Å; H539-E594 IonicContact ND1-OE2 3.27Å; H539-E594 PolarHBondContact ND1-OE2 3.46Å; Y541-E594 WeakPolarHBondContact CD2-OE2 2.71Å; W582-E594 WeakPolarHBondContact CA-O 3.4Å; W582-E594 VanDerWaalsContact CB-O 3.31Å; W582-E594 WeakPolarHBondContact CB-O 3.47Å; C583-E594 PolarHBondContact N-O 3Å; C583-E594 PolarHBondContact O-N 3.02Å; Y585-E594 HydrophobicContact CD1-CB 4.03Å; Y585-E594 HydrophobicContact CE1-CB 3.5Å; Y585-E594 VanDerWaalsContact CE1-CB 3.5Å; Y585-E594 HydrophobicContact CE1-CG 4.48Å
595	P	87.5	Confident	72.1	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	156.3	173.4	-24.9	38.1	0	0	0	112.5	T537 I538 C579 A914 C921	T537-P595 CarbonylContact C-O 3.18Å; T537-P595 WeakPolarHBondContact CA-O 3.22Å; I538-P595 HydrophobicContact CG2-CB 4.36Å; I538-P595 WeakPolarHBondContact CG2-O 3.36Å; I538-P595 PolarHBondContact N-O 3.21Å; C579-P595 HydrophobicContact CB-CG 3.96Å; P595-A914 HydrophobicContact CB-CB 4.18Å; P595-A914 HydrophobicContact CG-CB 3.9Å; P595-C921 HydrophobicContact CG-CB 3.77Å
596	C	84.3	Confident	70.3	Confident	5 Å²	5	68.4 Å²	68.4	3%	0.034	35%	0.353	C	S	.	.	S	Bend	trans	-104.6	-15.2	176.8	-61.9	0	0	0	0	114.4	T534 R536 C571 P581	T534-C596 HydrophobicContact CG2-CB 4.39Å; R536-C596 VanDerWaalsContact O-CB 3.3Å; R536-C596 WeakPolarHBondContact O-CB 3.25Å; R536-C596 PolarHBondContact O-SG 2.91Å; C571-C596 HydrophobicContact CB-CB 3.46Å; C571-C596 VanDerWaalsContact CB-CB 3.46Å; C571-C596 WeakPolarHBondContact CB-SG 3.38Å; C571-C596 WeakPolarHBondContact SG-CB 3.37Å; C571-C596 CovalentContact SG-SG 2Å; C571-C596 PolarHBondContact SG-SG 3.44Å; P581-C596 PolarHBondContact O-N 3.14Å
597	F	79.3	Confident	69	Low	5 Å²	5	69 Å²	69	2%	0.022	37%	0.366	C	S	.	.	S	Bend	trans	-127.3	132.9	-179.2	-58.3	-85.7	0	0	0	109.4	Y517 R521 M527 Y530 T534 I538 C571 P581	Y517-F597 HydrophobicContact CD2-CE1 4.32Å; Y517-F597 HydrophobicContact CE2-CD1 4.38Å; Y517-F597 AromaticContact CE2-CE1 3.89Å; Y517-F597 HydrophobicContact CE2-CE1 3.89Å; R521-F597 HydrophobicContact CB-CB 4.23Å; M527-F597 HydrophobicContact CE-CB 3.84Å; M527-F597 HydrophobicContact CE-CD1 4.36Å; M527-F597 HydrophobicContact CE-CD2 3.72Å; M527-F597 HydrophobicContact CE-CE2 4.37Å; M527-F597 HydrophobicContact CE-CG 3.71Å; Y530-F597 HydrophobicContact CD1-CE2 4.18Å; Y530-F597 HydrophobicContact CD1-CZ 4.5Å; Y530-F597 AromaticContact CE1-CE2 3.91Å; Y530-F597 HydrophobicContact CE1-CE2 3.91Å; Y530-F597 AromaticContact CE1-CZ 3.87Å; Y530-F597 HydrophobicContact CE1-CZ 3.87Å; Y530-F597 HydrophobicContact CE2-CE2 4.39Å; Y530-F597 AromaticContact CE2-CZ 3.89Å; Y530-F597 HydrophobicContact CE2-CZ 3.89Å; Y530-F597 AromaticContact CZ-CZ 3.54Å; T534-F597 HydrophobicContact CG2-CE1 4.39Å; T534-F597 HydrophobicContact CG2-CZ 4Å; I538-F597 VanDerWaalsContact CG2-C 3.41Å; C571-F597 HydrophobicContact CB-CE2 4.42Å; P581-F597 HydrophobicContact CB-CD2 3.98Å; P581-F597 HydrophobicContact CB-CE2 3.85Å; P581-F597 HydrophobicContact CG-CD2 3.93Å; P581-F597 HydrophobicContact CG-CE2 3.93Å
598	N	71.2	Confident	67.8	Low	15 Å²	15	70.7 Å²	70.7	8%	0.08	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-73	153.1	173.6	-73.4	-45.9	0	0	0	110.5	C520 R521 I538 Q911 Y912	C520-N598 CarbonylContact C-O 3.51Å; C520-N598 WeakPolarHBondContact CA-O 3.39Å; C520-N598 WeakPolarHBondContact CB-O 3.3Å; R521-N598 PolarHBondContact N-O 3.38Å; I538-N598 WeakPolarHBondContact CB-OD1 3.48Å; I538-N598 WeakPolarHBondContact CG2-OD1 3.49Å; N598-Q911 HydrophobicContact CB-CB 3.53Å; N598-Q911 HydrophobicContact CB-CG 3.8Å; N598-Q911 WeakPolarHBondContact ND2-CB 3.26Å; N598-Q911 PolarHBondContact ND2-OE1 3.32Å; N598-Y912 PolarHBondContact OD1-O 2.98Å
599	T	67.9	Low	66.9	Low	7 Å²	7	69.2 Å²	69.2	4%	0.043	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	133.8	177.7	-56.3	0	0	0	0	109.8	R521 K523 Y912	R521-T599 PolarHBondContact NH2-OG1 3.21Å; R521-T599 CarbonylContact O-C 3.45Å; R521-T599 VanDerWaalsContact O-CA 3.31Å; R521-T599 WeakPolarHBondContact O-CA 3.12Å; K523-T599 HydrophobicContact CB-CG2 3.83Å; K523-T599 HydrophobicContact CG-CG2 4.17Å; T599-Y912 PolarHBondContact N-O 3.48Å; T599-Y912 VanDerWaalsContact N-O 3.13Å
600	C	58.8	Low	66.7	Low	36 Å²	36	63.8 Å²	63.8	24%	0.243	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	136	176.6	-61.9	0	0	0	0	110	C520 R521	C520-C600 HydrophobicContact CB-CB 3.82Å; C520-C600 WeakPolarHBondContact CB-SG 3.19Å; C520-C600 PolarHBondContact O-SG 2.99Å; C520-C600 WeakPolarHBondContact SG-CA 3.49Å; C520-C600 WeakPolarHBondContact SG-CB 3.01Å; C520-C600 CovalentContact SG-SG 2.03Å; C520-C600 PolarHBondContact SG-SG 3.04Å; R521-C600 PolarHBondContact O-N 3.15Å
601	V	57.1	Low	66.4	Low	63 Å²	63	58.7 Å²	58.7	38%	0.382	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-74.5	125.8	169.7	-167.7	0	0	0	0	109.1	M603 Y912	V601-M603 PolarHBondContact O-N 2.88Å; V601-Y912 HydrophobicContact CB-CD2 4.4Å; V601-Y912 HydrophobicContact CB-CE2 4.17Å; V601-Y912 HydrophobicContact CG1-CE2 3.83Å; V601-Y912 HydrophobicContact CG2-CD2 3.49Å; V601-Y912 VanDerWaalsContact CG2-CD2 3.49Å; V601-Y912 HydrophobicContact CG2-CE2 3.44Å; V601-Y912 VanDerWaalsContact CG2-CE2 3.44Å
602	E	52.4	Low	65.7	Low	138 Å²	138	61.9 Å²	61.9	65%	0.645	31%	0.311	S	S	*	.			trans	-71	114.7	162.5	-73.3	-178	179.8	0	0	108	H524 Q604	H524-E602 IonicContact NE2-OE1 3.78Å; E602-Q604 PolarHBondContact O-N 3.18Å; E602-Q604 VanDerWaalsContact O-N 3.09Å
603	M	46	Very low	64.7	Low	103 Å²	103	62.7 Å²	62.7	51%	0.507	32%	0.321	S	S	.	.			trans	-60.1	115.7	178.4	-68.6	-109.9	-73.1	0	0	109.1	V601 R690 W910	V601-M603 PolarHBondContact O-N 2.88Å; M603-R690 PolarHBondContact SD-NH1 3.04Å; M603-R690 PolarHBondContact SD-NH2 3.37Å; M603-W910 HydrophobicContact SD-CZ3 4.49Å
604	Q	47	Very low	63.5	Low	165 Å²	165	61.8 Å²	61.8	77%	0.771	32%	0.32	S	S	*	.			trans	-60	152	159.3	-66.6	-175.5	8.3	0	0	108.2	E602 E606	E602-Q604 PolarHBondContact O-N 3.18Å; E602-Q604 VanDerWaalsContact O-N 3.09Å; Q604-E606 PolarHBondContact O-N 3.23Å
605	N	43	Very low	62.3	Low	177 Å²	177	62.1 Å²	62.1	95%	0.947	32%	0.322	S	S	*	.	S	Bend	trans	-57.9	66.1	-168.4	-159.5	23.2	0	0	0	113.8
606	E	48.3	Very low	60.9	Low	119 Å²	119	63.5 Å²	63.5	56%	0.556	33%	0.331	S	S	*	.			trans	-91.4	153.3	-178.7	-76.4	-176.9	-167.2	0	0	111.1	Q604 Y608 R690	Q604-E606 PolarHBondContact O-N 3.23Å; E606-Y608 PolarHBondContact O-N 2.86Å; E606-R690 IonicContact OE2-CZ 2.66Å; E606-R690 IonicContact OE2-NH2 3.37Å; E606-R690 PolarHBondContact OE2-NH2 2.76Å
607	T	54.6	Low	59.8	Low	121 Å²	121	63.7 Å²	63.7	74%	0.742	33%	0.331	S	S	*	.			trans	-45.1	137.2	169	46.4	0	0	0	0	110.8	V609	T607-V609 WeakPolarHBondContact O-CG2 3.4Å; T607-V609 PolarHBondContact O-N 2.9Å
608	Y	52	Low	58.8	Low	107 Å²	107	66.2 Å²	66.2	42%	0.42	34%	0.343	S	S	.	.			trans	-46.6	112.1	179.8	176.5	-90.4	0	0	0	111.9	E606 A610 S630 K632 T633	E606-Y608 PolarHBondContact O-N 2.86Å; Y608-A610 HydrophobicContact CE1-CB 3.88Å; Y608-S630 PolarHBondContact OH-OG 2.77Å; Y608-K632 HydrophobicContact CD1-CD 4.46Å; Y608-K632 HydrophobicContact CE1-CB 3.76Å; Y608-K632 HydrophobicContact CE1-CD 4.14Å; Y608-K632 HydrophobicContact CE2-CD 4.48Å; Y608-T633 WeakPolarHBondContact CE1-O 3.19Å
609	V	60	Low	57.5	Low	33 Å²	33	69.5 Å²	69.5	20%	0.2	36%	0.355	C	S	.	.			trans	-119.7	109.1	170.4	-178.7	0	0	0	0	107.6	T607 Y685	T607-V609 WeakPolarHBondContact O-CG2 3.4Å; T607-V609 PolarHBondContact O-N 2.9Å; V609-Y685 HydrophobicContact CG1-CD2 3.61Å; V609-Y685 HydrophobicContact CG1-CE2 4.02Å
610	A	69.5	Low	56.3	Low	10 Å²	10	72.1 Å²	72.1	8%	0.083	37%	0.373	C	S	.	.			trans	-81.8	123.2	171.9	0	0	0	0	0	109.1	Y608 Y684 Y685	Y608-A610 HydrophobicContact CE1-CB 3.88Å; A610-Y684 HydrophobicContact CB-CD1 3.64Å; A610-Y684 HydrophobicContact CB-CE1 3.93Å; A610-Y684 WeakPolarHBondContact O-CA 3.46Å; A610-Y685 PolarHBondContact O-N 3.1Å
611	C	72.6	Confident	55.4	Low	27 Å²	27	76 Å²	76	18%	0.182	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	155.6	171.5	85.3	0	0	0	0	111.4	Y685 C687 W910	C611-Y685 CarbonylContact C-O 3.44Å; C611-Y685 WeakPolarHBondContact CA-O 3.13Å; C611-Y685 WeakPolarHBondContact CB-O 3.38Å; C611-C687 HydrophobicContact CB-CB 3.9Å; C611-C687 WeakPolarHBondContact CB-SG 3.48Å; C611-C687 VanDerWaalsContact SG-CA 3.59Å; C611-C687 WeakPolarHBondContact SG-CB 3.37Å; C611-C687 CovalentContact SG-SG 2.05Å; C611-C687 PolarHBondContact SG-SG 2.99Å; C611-W910 HydrophobicContact CB-CH2 3.92Å; C611-W910 HydrophobicContact CB-CZ2 4.11Å; C611-W910 WeakPolarHBondContact SG-CH2 3.35Å
612	R	66.9	Low	54.5	Low	89 Å²	89	78 Å²	78	34%	0.336	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	156.8	165.9	-68.4	-66.1	-171.8	-179.8	-0.8	108.9	G614 L617 E628 Y684 Y685 A686 C687	R612-G614 PolarHBondContact O-N 2.93Å; R612-L617 HydrophobicContact CB-CD2 3.92Å; R612-L617 HydrophobicContact CB-CG 4.2Å; R612-E628 IonicContact NH2-OE2 3Å; R612-Y684 HydrophobicContact CG-CD1 3.74Å; R612-Y684 HydrophobicContact CG-CD2 4.42Å; R612-Y684 HydrophobicContact CG-CE1 4.1Å; R612-Y684 HydrophobicContact CG-CG 3.92Å; R612-Y685 PolarHBondContact N-O 2.72Å; R612-A686 CarbonylContact O-C 3.54Å; R612-A686 VanDerWaalsContact O-CA 3.23Å; R612-A686 WeakPolarHBondContact O-CA 2.98Å; R612-C687 WeakPolarHBondContact CA-SG 3.11Å; R612-C687 PolarHBondContact N-SG 3.26Å; R612-C687 PolarHBondContact O-N 2.88Å
613	P	65.9	Low	53.6	Low	66 Å²	66	79 Å²	79	43%	0.429	41%	0.41	S	S	.	.			trans	-56.6	136	173.7	-23.3	33.8	0	0	0	111.1	V616 L617	P613-V616 HydrophobicContact CB-CG2 4.14Å; P613-V616 HydrophobicContact CG-CG2 4.36Å; P613-V616 WeakPolarHBondContact O-CB 3.48Å; P613-V616 PolarHBondContact O-N 3.27Å; P613-L617 PolarHBondContact O-N 2.97Å
614	G	63.3	Low	53.4	Low	7 Å²	7	79.4 Å²	79.4	7%	0.072	41%	0.412	C	S	.	.	H	α-helix	trans	-51.1	-44.6	-177.3	0	0	0	0	0	115.2	R612 V616 L617 Q618 E688	R612-G614 PolarHBondContact O-N 2.93Å; G614-V616 PolarHBondContact O-N 3.34Å; G614-L617 WeakPolarHBondContact O-CA 3.39Å; G614-L617 WeakPolarHBondContact O-CB 3.09Å; G614-L617 PolarHBondContact O-N 2.88Å; G614-Q618 PolarHBondContact O-N 3.16Å; G614-Q618 VanDerWaalsContact O-N 3.09Å; G614-E688 WeakPolarHBondContact CA-OE1 2.85Å; G614-E688 VanDerWaalsContact N-CD 3.32Å; G614-E688 PolarHBondContact N-OE1 3.25Å; G614-E688 PolarHBondContact N-OE2 3.13Å
615	P	60	Low	52.9	Low	12 Å²	12	76.2 Å²	76.2	8%	0.078	40%	0.396	C	S	.	.	H	α-helix	trans	-58.5	-33.1	176	-26.9	34.1	0	0	0	113.8	Q443 L444 L617 Q618 W619	Q443-P615 HydrophobicContact CB-CG 3.45Å; Q443-P615 VanDerWaalsContact CB-CG 3.45Å; Q443-P615 HydrophobicContact CG-CG 4.47Å; L444-P615 HydrophobicContact CD2-CB 4.27Å; P615-L617 VanDerWaalsContact C-N 3.3Å; P615-Q618 PolarHBondContact O-N 3.49Å; P615-W619 PolarHBondContact O-N 3.23Å
616	V	58.7	Low	52.9	Low	29 Å²	29	78.7 Å²	78.7	18%	0.176	39%	0.392	C	S	.	.	H	α-helix	trans	-71.4	-28.9	176.7	-178.7	0	0	0	0	110.9	P613 G614 F625	P613-V616 HydrophobicContact CB-CG2 4.14Å; P613-V616 HydrophobicContact CG-CG2 4.36Å; P613-V616 WeakPolarHBondContact O-CB 3.48Å; P613-V616 PolarHBondContact O-N 3.27Å; G614-V616 PolarHBondContact O-N 3.34Å; V616-F625 HydrophobicContact CG1-CB 4.17Å; V616-F625 HydrophobicContact CG1-CD2 4.22Å; V616-F625 HydrophobicContact CG1-CG 4.35Å; V616-F625 HydrophobicContact CG2-CD2 4.13Å; V616-F625 HydrophobicContact CG2-CE2 4.17Å
617	L	62.2	Low	53	Low	9 Å²	9	74.8 Å²	74.8	5%	0.047	37%	0.374	C	S	.	.	H	α-helix	trans	-74.9	-36	176.1	-63	177	0	0	0	112.4	R612 P613 G614 P615 W619 Y684 A686	R612-L617 HydrophobicContact CB-CD2 3.92Å; R612-L617 HydrophobicContact CB-CG 4.2Å; P613-L617 PolarHBondContact O-N 2.97Å; G614-L617 WeakPolarHBondContact O-CA 3.39Å; G614-L617 WeakPolarHBondContact O-CB 3.09Å; G614-L617 PolarHBondContact O-N 2.88Å; P615-L617 VanDerWaalsContact C-N 3.3Å; L617-W619 VanDerWaalsContact C-N 3.31Å; L617-Y684 HydrophobicContact CD2-CD2 4.19Å; L617-Y684 HydrophobicContact CD2-CG 4.3Å; L617-A686 HydrophobicContact CD1-CB 4.24Å
618	Q	57	Low	53	Low	58 Å²	58	74.8 Å²	74.8	27%	0.271	37%	0.366	S	S	.	.	H	α-helix	trans	-70	-27.3	178.3	-70.7	173.2	-13.1	0	0	112.6	G614 P615 S620 S667 E704	G614-Q618 PolarHBondContact O-N 3.16Å; G614-Q618 VanDerWaalsContact O-N 3.09Å; P615-Q618 PolarHBondContact O-N 3.49Å; Q618-S620 PolarHBondContact O-N 2.95Å; Q618-S667 WeakPolarHBondContact CA-O 3.26Å; Q618-S667 PolarHBondContact O-OG 2.95Å; Q618-E704 VanDerWaalsContact NE2-CD 3.28Å; Q618-E704 PolarHBondContact NE2-OE2 3.14Å
619	W	43.6	Very low	53.4	Low	84 Å²	84	73.8 Å²	73.8	32%	0.318	37%	0.372	S	S	.	.			trans	-85.6	98.5	-175.3	-66.3	-5.8	0	0	0	111.8	L444 P615 L617 D621 M624 F625	L444-W619 HydrophobicContact CD1-CH2 3.49Å; L444-W619 VanDerWaalsContact CD1-CH2 3.49Å; L444-W619 HydrophobicContact CD1-CZ2 3.58Å; L444-W619 HydrophobicContact CD2-CH2 3.09Å; L444-W619 HydrophobicContact CD2-CZ2 3.5Å; L444-W619 VanDerWaalsContact CD2-CZ2 3.5Å; L444-W619 HydrophobicContact CD2-CZ3 3.89Å; L444-W619 HydrophobicContact CG-CH2 3.86Å; L444-W619 HydrophobicContact CG-CZ2 3.98Å; P615-W619 PolarHBondContact O-N 3.23Å; L617-W619 VanDerWaalsContact C-N 3.31Å; W619-D621 PolarHBondContact O-N 3.36Å; W619-M624 HydrophobicContact CE3-CE 4.5Å; W619-M624 HydrophobicContact CH2-CE 4.23Å; W619-M624 HydrophobicContact CZ3-CE 3.63Å; W619-M624 HydrophobicContact CZ3-SD 4.26Å; W619-F625 AromaticContact CE3-CD2 3.98Å; W619-F625 HydrophobicContact CE3-CD2 3.98Å; W619-F625 AromaticContact CE3-CE2 3.61Å; W619-F625 HydrophobicContact CE3-CE2 3.61Å; W619-F625 HydrophobicContact CZ3-CD2 4.34Å; W619-F625 AromaticContact CZ3-CE2 3.53Å; W619-F625 HydrophobicContact CZ3-CE2 3.53Å; W619-F625 HydrophobicContact CZ3-CZ 4.4Å
620	S	43	Very low	53.8	Low	62 Å²	62	72.8 Å²	72.8	43%	0.434	37%	0.367	S	S	.	.			trans	-77.1	-4.7	168.8	58.9	0	0	0	0	113.6	Q618 N622	Q618-S620 PolarHBondContact O-N 2.95Å; S620-N622 PolarHBondContact O-N 3.11Å
621	D	39.6	Very low	54.3	Low	118 Å²	118	75.6 Å²	75.6	63%	0.631	39%	0.386	S	S	*	.			trans	-73.2	87.6	177.2	-70.4	-5	0	0	0	107.8	W619 N623 M624	W619-D621 PolarHBondContact O-N 3.36Å; D621-N623 PolarHBondContact O-N 3.22Å; D621-M624 PolarHBondContact O-N 2.74Å
622	N	38.3	Very low	54.7	Low	104 Å²	104	78.6 Å²	78.6	56%	0.556	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.7	-6.5	178.1	-100.2	-67.4	0	0	0	117	S620 E662	S620-N622 PolarHBondContact O-N 3.11Å; N622-E662 PolarHBondContact ND2-OE2 3.06Å; N622-E662 PolarHBondContact OD1-OE2 3.26Å
623	N	34.8	Very low	55.7	Low	159 Å²	159	74.4 Å²	74.4	85%	0.85	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-23.3	-170	-69.7	-13.9	0	0	0	114.8	D621	D621-N623 PolarHBondContact O-N 3.22Å
624	M	40.3	Very low	56.5	Low	111 Å²	111	71.3 Å²	71.3	55%	0.547	36%	0.36	S	S	.	.	S	Bend	trans	-90.2	-38	-178.2	-90.1	179.8	69.1	0	0	113.8	W619 D621	W619-M624 HydrophobicContact CE3-CE 4.5Å; W619-M624 HydrophobicContact CH2-CE 4.23Å; W619-M624 HydrophobicContact CZ3-CE 3.63Å; W619-M624 HydrophobicContact CZ3-SD 4.26Å; D621-M624 PolarHBondContact O-N 2.74Å
625	F	38.1	Very low	57.3	Low	99 Å²	99	74 Å²	74	43%	0.434	38%	0.375	S	S	.	.			trans	-135	103.7	179.9	-57.7	-67.7	0	0	0	109.1	V616 W619 I627	V616-F625 HydrophobicContact CG1-CB 4.17Å; V616-F625 HydrophobicContact CG1-CD2 4.22Å; V616-F625 HydrophobicContact CG1-CG 4.35Å; V616-F625 HydrophobicContact CG2-CD2 4.13Å; V616-F625 HydrophobicContact CG2-CE2 4.17Å; W619-F625 AromaticContact CE3-CD2 3.98Å; W619-F625 HydrophobicContact CE3-CD2 3.98Å; W619-F625 AromaticContact CE3-CE2 3.61Å; W619-F625 HydrophobicContact CE3-CE2 3.61Å; W619-F625 HydrophobicContact CZ3-CD2 4.34Å; W619-F625 AromaticContact CZ3-CE2 3.53Å; W619-F625 HydrophobicContact CZ3-CE2 3.53Å; W619-F625 HydrophobicContact CZ3-CZ 4.4Å; F625-I627 PolarHBondContact O-N 2.74Å
626	R	42.5	Very low	58.2	Low	228 Å²	228	74.4 Å²	74.4	86%	0.86	38%	0.382	S	S	*	.			trans	-68.9	101	170.6	-171.9	174.4	176.2	178.9	-2.9	107.7	E628	R626-E628 PolarHBondContact O-N 2.03Å; R626-E628 VanDerWaalsContact O-N 3.16Å
627	I	50.8	Low	59.6	Low	37 Å²	37	78.3 Å²	78.3	19%	0.19	39%	0.393	C	S	.	.			trans	-60.4	120.1	176.7	-54.9	176	0	0	0	107.3	F625 P671 Y684	F625-I627 PolarHBondContact O-N 2.74Å; I627-P671 HydrophobicContact CD1-CG 4.25Å; I627-Y684 HydrophobicContact CG2-CE2 4Å
628	E	53.1	Low	60.8	Low	122 Å²	122	82.4 Å²	82.4	57%	0.57	42%	0.42	S	S	*	.			trans	-57.6	128.5	173.4	-74.1	-176.7	153	0	0	109.3	R612 R626 S630 Y684	R612-E628 IonicContact NH2-OE2 3Å; R626-E628 PolarHBondContact O-N 2.03Å; R626-E628 VanDerWaalsContact O-N 3.16Å; E628-S630 PolarHBondContact O-N 3.18Å; E628-Y684 PolarHBondContact O-OH 2.69Å
629	P	61.2	Low	62.1	Low	85 Å²	85	80.1 Å²	80.1	55%	0.552	41%	0.411	S	S	*	.			trans	-60.8	108	-178.5	-21.5	31.5	0	0	0	111.1	I659	P629-I659 HydrophobicContact CB-CB 4.03Å; P629-I659 HydrophobicContact CB-CD1 3.87Å; P629-I659 HydrophobicContact CB-CG2 3.79Å; P629-I659 HydrophobicContact CG-CD1 4.34Å
630	S	69.2	Low	64.1	Low	13 Å²	13	78.7 Å²	78.7	9%	0.091	41%	0.411	C	S	.	.			trans	-80.5	137.4	164.6	178.6	0	0	0	0	109.7	Y608 E628 K632 I659 C660 Y684	Y608-S630 PolarHBondContact OH-OG 2.77Å; E628-S630 PolarHBondContact O-N 3.18Å; S630-K632 VanDerWaalsContact C-N 3.34Å; S630-K632 PolarHBondContact OG-N 3.49Å; S630-K632 PolarHBondContact OG-O 2.95Å; S630-I659 CarbonylContact O-C 3.52Å; S630-I659 WeakPolarHBondContact O-CA 3.32Å; S630-C660 PolarHBondContact O-N 2.98Å; S630-C660 PolarHBondContact O-SG 2.85Å; S630-C660 VanDerWaalsContact O-SG 3.32Å; S630-Y684 WeakPolarHBondContact CB-OH 3.27Å
631	S	78.8	Confident	65.5	Low	69 Å²	69	79.2 Å²	79.2	48%	0.483	42%	0.419	S	S	.	.	S	Bend	trans	-94.3	7.3	169	58.1	0	0	0	0	112.6	C639	S631-C639 VanDerWaalsContact O-CB 3.3Å; S631-C639 WeakPolarHBondContact O-CB 3.44Å; S631-C639 PolarHBondContact O-N 3.47Å
632	K	82.4	Confident	66.9	Low	90 Å²	90	78.8 Å²	78.8	39%	0.391	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-129.6	147.6	-178.7	-63.3	-175.7	-178.3	-178.1	0	111.7	Y608 S630 R637 C660	Y608-K632 HydrophobicContact CD1-CD 4.46Å; Y608-K632 HydrophobicContact CE1-CB 3.76Å; Y608-K632 HydrophobicContact CE1-CD 4.14Å; Y608-K632 HydrophobicContact CE2-CD 4.48Å; S630-K632 VanDerWaalsContact C-N 3.34Å; S630-K632 PolarHBondContact OG-N 3.49Å; S630-K632 PolarHBondContact OG-O 2.95Å; K632-R637 CarbonylContact C-O 3.54Å; K632-R637 VanDerWaalsContact CA-O 3.27Å; K632-R637 WeakPolarHBondContact CA-O 3.45Å; K632-C660 PolarHBondContact O-SG 3.04Å
633	T	86.2	Confident	68	Low	0 Å²	0	77 Å²	77	0%	0	41%	0.406	C	S	.	.			trans	-77.1	173.5	173.5	70.7	0	0	0	0	111.2	Y608 T635 G636 R637 C673 I675 E681 C683	Y608-T633 WeakPolarHBondContact CE1-O 3.19Å; T633-T635 PolarHBondContact O-N 3.11Å; T633-T635 VanDerWaalsContact O-N 3.15Å; T633-T635 PolarHBondContact OG1-OG1 3.2Å; T633-G636 WeakPolarHBondContact O-CA 3.28Å; T633-G636 PolarHBondContact O-N 2.86Å; T633-R637 HydrophobicContact CG2-CB 4.41Å; T633-R637 PolarHBondContact N-O 3.1Å; T633-R637 WeakPolarHBondContact OG1-CB 3.13Å; T633-R637 PolarHBondContact OG1-N 3.46Å; T633-R637 PolarHBondContact OG1-O 3.47Å; T633-C673 HydrophobicContact CG2-CB 4.24Å; T633-I675 HydrophobicContact CG2-CG2 3.59Å; T633-E681 VanDerWaalsContact CB-OE2 3.26Å; T633-E681 WeakPolarHBondContact CB-OE2 3.09Å; T633-E681 HydrophobicContact CG2-CB 3.92Å; T633-E681 HydrophobicContact CG2-CG 4.24Å; T633-E681 WeakPolarHBondContact CG2-OE2 3.28Å; T633-E681 PolarHBondContact OG1-OE2 3.14Å; T633-C683 CarbonylContact C-O 3.01Å
634	R	84.4	Confident	69	Low	1 Å²	1	74.3 Å²	74.3	0%	0.004	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.5	178.5	69.2	-165.4	174.1	157.3	3.5	114.5	P682 C683 Y685 N706 H759	R634-P682 WeakPolarHBondContact CD-O 3.46Å; R634-P682 VanDerWaalsContact CG-O 3.23Å; R634-P682 WeakPolarHBondContact CG-O 3.31Å; R634-P682 PolarHBondContact N-O 3.45Å; R634-C683 VanDerWaalsContact CA-O 3.3Å; R634-C683 WeakPolarHBondContact CA-O 3.22Å; R634-C683 WeakPolarHBondContact CB-O 3.4Å; R634-C683 PolarHBondContact N-O 2.78Å; R634-C683 VanDerWaalsContact N-O 3.08Å; R634-Y685 HydrophobicContact CB-CD2 3.78Å; R634-Y685 HydrophobicContact CB-CE2 3.63Å; R634-Y685 HydrophobicContact CB-CG 4.36Å; R634-Y685 VanDerWaalsContact CD-CZ 3.49Å; R634-Y685 HydrophobicContact CG-CD2 4.16Å; R634-Y685 HydrophobicContact CG-CE1 4.03Å; R634-Y685 HydrophobicContact CG-CE2 3.63Å; R634-Y685 VanDerWaalsContact NH1-CE1 3.27Å; R634-N706 PolarHBondContact NH1-OD1 3.41Å; R634-H759 PolarHBondContact NH2-ND1 3.26Å
635	T	79.4	Confident	69.4	Low	63 Å²	63	73.9 Å²	73.9	39%	0.387	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	5.3	172.7	60.1	0	0	0	0	112.7	T633 R637 E681	T633-T635 PolarHBondContact O-N 3.11Å; T633-T635 VanDerWaalsContact O-N 3.15Å; T633-T635 PolarHBondContact OG1-OG1 3.2Å; T635-R637 VanDerWaalsContact C-N 3.32Å; T635-R637 PolarHBondContact O-N 3.08Å; T635-E681 WeakPolarHBondContact CB-OE1 3.39Å; T635-E681 WeakPolarHBondContact CG2-OE1 3.34Å; T635-E681 VanDerWaalsContact OG1-CD 3.23Å; T635-E681 PolarHBondContact OG1-OE1 3.03Å; T635-E681 PolarHBondContact OG1-OE2 3.13Å; T635-E681 VanDerWaalsContact OG1-OE2 3.12Å
636	G	79.4	Confident	69.9	Low	22 Å²	22	76.8 Å²	76.8	23%	0.227	42%	0.418	C	S	.	.	S	Bend	trans	81.2	4.9	179.8	0	0	0	0	0	115.1	T633	T633-G636 WeakPolarHBondContact O-CA 3.28Å; T633-G636 PolarHBondContact O-N 2.86Å
637	R	86.6	Confident	69.8	Low	111 Å²	111	76.4 Å²	76.4	42%	0.419	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-69.6	138.4	177.2	-66.8	179.9	171.9	-169	1.2	110.5	K632 T633 T635 I675 Q758	K632-R637 CarbonylContact C-O 3.54Å; K632-R637 VanDerWaalsContact CA-O 3.27Å; K632-R637 WeakPolarHBondContact CA-O 3.45Å; T633-R637 HydrophobicContact CG2-CB 4.41Å; T633-R637 PolarHBondContact N-O 3.1Å; T633-R637 WeakPolarHBondContact OG1-CB 3.13Å; T633-R637 PolarHBondContact OG1-N 3.46Å; T633-R637 PolarHBondContact OG1-O 3.47Å; T635-R637 VanDerWaalsContact C-N 3.32Å; T635-R637 PolarHBondContact O-N 3.08Å; R637-I675 HydrophobicContact CB-CG2 4.16Å; R637-Q758 VanDerWaalsContact NH1-CD 3.32Å; R637-Q758 VanDerWaalsContact NH1-NE2 3.16Å
638	P	87.1	Confident	69.4	Low	94 Å²	94	78.1 Å²	78.1	61%	0.61	44%	0.438	S	S	*	.	B	Isolated β-bridge	trans	-69.7	139	178.9	29.2	-34.1	0	0	0	110.8
639	C	85.1	Confident	68.6	Low	11 Å²	11	80.3 Å²	80.3	7%	0.074	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-63	133.1	170.1	-83.3	0	0	0	0	111.8	S631 P658 C673	S631-C639 VanDerWaalsContact O-CB 3.3Å; S631-C639 WeakPolarHBondContact O-CB 3.44Å; S631-C639 PolarHBondContact O-N 3.47Å; C639-P658 HydrophobicContact CB-CB 3.92Å; C639-P658 HydrophobicContact CB-CG 4.42Å; C639-P658 WeakPolarHBondContact CB-O 3.42Å; C639-P658 WeakPolarHBondContact O-CB 3.47Å; C639-P658 WeakPolarHBondContact O-CG 3.03Å; C639-C673 WeakPolarHBondContact CA-SG 3.02Å; C639-C673 HydrophobicContact CB-CB 4.28Å; C639-C673 WeakPolarHBondContact CB-SG 3.49Å; C639-C673 WeakPolarHBondContact SG-CB 3Å; C639-C673 CovalentContact SG-SG 2.01Å; C639-C673 PolarHBondContact SG-SG 3.14Å
640	V	85.6	Confident	67.6	Low	53 Å²	53	83.6 Å²	83.6	32%	0.321	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-103.4	151.5	172.3	-54.2	0	0	0	0	111.6	P658 Y674 N676	V640-P658 WeakPolarHBondContact O-CB 3.13Å; V640-Y674 WeakPolarHBondContact CG2-O 3.22Å; V640-Y674 PolarHBondContact N-O 3.38Å; V640-N676 WeakPolarHBondContact CG2-O 3.23Å
641	A	72.7	Confident	66.4	Low	73 Å²	73	93 Å²	93	60%	0.603	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-62.2	138.7	177.3	0	0	0	0	0	110.4
642	K	68.3	Low	64.6	Low	109 Å²	109	102 Å²	102	47%	0.474	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-51.7	134.8	172.2	-73.3	-176.7	177.5	178	0	108.5	S644 L661 Y674	K642-S644 PolarHBondContact O-N 3.21Å; K642-L661 HydrophobicContact CD-CD1 4.49Å; K642-Y674 HydrophobicContact CD-CE2 4.29Å; K642-Y674 HydrophobicContact CG-CD2 3.85Å; K642-Y674 HydrophobicContact CG-CE2 3.8Å
643	P	62	Low	62.8	Low	68 Å²	68	101.4 Å²	101.4	44%	0.442	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-53	121.3	168.8	-13.7	22.7	0	0	0	106.7	V645 A677	P643-V645 PolarHBondContact O-N 3.22Å; P643-A677 HydrophobicContact CG-CB 4.15Å; P643-A677 WeakPolarHBondContact CG-O 3.37Å
644	S	56.1	Low	60.6	Low	101 Å²	101	110 Å²	110	71%	0.706	56%	0.56	S	S	*	*			trans	-31.9	107.6	-178.5	44.2	0	0	0	0	111.7	K642 Q646	K642-S644 PolarHBondContact O-N 3.21Å; S644-Q646 VanDerWaalsContact C-N 3.33Å; S644-Q646 PolarHBondContact O-N 3.03Å
645	V	48.7	Very low	58.8	Low	102 Å²	102	122.3 Å²	122.3	62%	0.618	61%	0.606	S	S	*	*			trans	-58.3	105.8	160.9	-179.6	0	0	0	0	104.7	P643 Y647 A648	P643-V645 PolarHBondContact O-N 3.22Å; V645-Y647 PolarHBondContact O-N 2.72Å; V645-A648 PolarHBondContact O-N 3.04Å; V645-A648 VanDerWaalsContact O-N 3.16Å
646	Q	48	Very low	57.7	Low	160 Å²	160	126.8 Å²	126.8	75%	0.748	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-7.1	-177.7	-84.8	170.5	-31.6	0	0	113	S644 H649	S644-Q646 VanDerWaalsContact C-N 3.33Å; S644-Q646 PolarHBondContact O-N 3.03Å; Q646-H649 PolarHBondContact O-CD2 2.9Å; Q646-H649 VanDerWaalsContact O-CD2 3.3Å
647	Y	41.6	Very low	56.9	Low	220 Å²	220	128.8 Å²	128.8	86%	0.863	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	12	178.9	-75.6	-81	0	0	0	115.9	V645 H649	V645-Y647 PolarHBondContact O-N 2.72Å; Y647-H649 VanDerWaalsContact C-N 3.34Å; Y647-H649 PolarHBondContact O-N 2.79Å
648	A	40.7	Very low	56	Low	74 Å²	74	126 Å²	126	61%	0.612	63%	0.631	S	S	*	*			trans	-97.3	41.1	171.3	0	0	0	0	0	112.7	V645 N650	V645-A648 PolarHBondContact O-N 3.04Å; V645-A648 VanDerWaalsContact O-N 3.16Å; A648-N650 PolarHBondContact O-N 2.83Å
649	H	38.1	Very low	55.3	Low	167 Å²	167	123.3 Å²	123.3	77%	0.773	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	79.9	166.7	-82.2	-82	0	0	0	109.5	Q646 Y647	Q646-H649 PolarHBondContact O-CD2 2.9Å; Q646-H649 VanDerWaalsContact O-CD2 3.3Å; Y647-H649 VanDerWaalsContact C-N 3.34Å; Y647-H649 PolarHBondContact O-N 2.79Å
650	N	40.2	Very low	54.9	Low	155 Å²	155	123.5 Å²	123.5	83%	0.829	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	170	-4.8	144.7	-92.2	-19.9	0	0	0	116	A648 R652	A648-N650 PolarHBondContact O-N 2.83Å; N650-R652 PolarHBondContact O-N 2.9Å
651	Y	42.7	Very low	54	Low	209 Å²	209	124.3 Å²	124.3	82%	0.82	61%	0.614	S	S	*	*			trans	-95.6	80.3	178.2	-75.8	-86.5	0	0	0	111.9	S653	Y651-S653 PolarHBondContact O-N 3.17Å; Y651-S653 VanDerWaalsContact O-N 3.12Å
652	R	42.4	Very low	53.4	Low	258 Å²	258	123.8 Å²	123.8	97%	0.974	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-2.5	167.1	-91.2	-175.9	175.9	-175.2	-0.4	114	N650	N650-R652 PolarHBondContact O-N 2.9Å
653	S	42.9	Very low	52.8	Low	78 Å²	78	120.9 Å²	120.9	55%	0.545	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92	-15.2	-165.2	-175.2	0	0	0	0	116.4	Y651	Y651-S653 PolarHBondContact O-N 3.17Å; Y651-S653 VanDerWaalsContact O-N 3.12Å
654	Y	41.5	Very low	52.3	Low	181 Å²	181	126.8 Å²	126.8	71%	0.71	61%	0.611	S	S	*	*			trans	-151	83.7	-179.2	-71.1	-82.1	0	0	0	110.9	K656	Y654-K656 PolarHBondContact O-N 2.84Å
655	R	46.3	Very low	52	Low	259 Å²	259	124 Å²	124	98%	0.977	59%	0.592	S	S	*	*			trans	-66.1	76.3	147.4	-72.9	-167.1	-157.8	-170.7	6.6	106.3	A657	R655-A657 PolarHBondContact O-N 3.05Å
656	K	56	Low	52.2	Low	158 Å²	158	119.6 Å²	119.6	69%	0.687	56%	0.564	S	S	*	*			trans	-54.2	126.4	166.8	-89.4	178.8	179.2	179.9	0	105.4	Y654	Y654-K656 PolarHBondContact O-N 2.84Å
657	A	62.1	Low	52.5	Low	64 Å²	64	113.9 Å²	113.9	53%	0.529	54%	0.542	S	S	.	.			trans	-48.4	144.1	173.5	0	0	0	0	0	108.7	R655 I659	R655-A657 PolarHBondContact O-N 3.05Å; A657-I659 HydrophobicContact CB-CG2 4.43Å; A657-I659 WeakPolarHBondContact O-CG2 3.4Å; A657-I659 PolarHBondContact O-N 3.26Å
658	P	67.6	Low	53.5	Low	51 Å²	51	107.3 Å²	107.3	33%	0.331	52%	0.516	S	S	.	.	S	Bend	trans	-60.9	108.9	174.7	28.4	-34.6	0	0	0	108.1	C639 V640	C639-P658 HydrophobicContact CB-CB 3.92Å; C639-P658 HydrophobicContact CB-CG 4.42Å; C639-P658 WeakPolarHBondContact CB-O 3.42Å; C639-P658 WeakPolarHBondContact O-CB 3.47Å; C639-P658 WeakPolarHBondContact O-CG 3.03Å; V640-P658 WeakPolarHBondContact O-CB 3.13Å
659	I	73.6	Confident	54.9	Low	39 Å²	39	104.3 Å²	104.3	20%	0.2	49%	0.49	C	S	.	.			trans	-122.5	161	-178.2	53.9	171.3	0	0	0	108.5	P629 S630 A657 L661	P629-I659 HydrophobicContact CB-CB 4.03Å; P629-I659 HydrophobicContact CB-CD1 3.87Å; P629-I659 HydrophobicContact CB-CG2 3.79Å; P629-I659 HydrophobicContact CG-CD1 4.34Å; S630-I659 CarbonylContact O-C 3.52Å; S630-I659 WeakPolarHBondContact O-CA 3.32Å; A657-I659 HydrophobicContact CB-CG2 4.43Å; A657-I659 WeakPolarHBondContact O-CG2 3.4Å; A657-I659 PolarHBondContact O-N 3.26Å; I659-L661 HydrophobicContact CD1-CD2 4.36Å; I659-L661 HydrophobicContact CG1-CD2 4.1Å; I659-L661 HydrophobicContact CG1-CG 4.47Å; I659-L661 WeakPolarHBondContact O-CG 3.41Å; I659-L661 PolarHBondContact O-N 3.01Å; I659-L661 VanDerWaalsContact O-N 3.1Å
660	C	75.1	Confident	56.6	Low	14 Å²	14	96.8 Å²	96.8	10%	0.095	46%	0.457	C	S	.	.			trans	-56.5	113.5	166.9	-65.7	0	0	0	0	109.1	S630 K632 P671 C683	S630-C660 PolarHBondContact O-N 2.98Å; S630-C660 PolarHBondContact O-SG 2.85Å; S630-C660 VanDerWaalsContact O-SG 3.32Å; K632-C660 PolarHBondContact O-SG 3.04Å; C660-P671 HydrophobicContact CB-CB 4.38Å; C660-C683 HydrophobicContact CB-CB 3.69Å; C660-C683 WeakPolarHBondContact CB-SG 3.16Å; C660-C683 WeakPolarHBondContact SG-CB 3.13Å; C660-C683 CovalentContact SG-SG 2.01Å; C660-C683 PolarHBondContact SG-SG 2.88Å
661	L	68.4	Low	58.5	Low	70 Å²	70	89.8 Å²	89.8	37%	0.366	42%	0.42	S	S	.	.	B	Isolated β-bridge	trans	-102.9	137.6	179.5	-68.7	167	0	0	0	107.8	K642 I659 D663 P671 M672	K642-L661 HydrophobicContact CD-CD1 4.49Å; I659-L661 HydrophobicContact CD1-CD2 4.36Å; I659-L661 HydrophobicContact CG1-CD2 4.1Å; I659-L661 HydrophobicContact CG1-CG 4.47Å; I659-L661 WeakPolarHBondContact O-CG 3.41Å; I659-L661 PolarHBondContact O-N 3.01Å; I659-L661 VanDerWaalsContact O-N 3.1Å; L661-D663 PolarHBondContact O-N 2.84Å; L661-D663 VanDerWaalsContact O-N 3.11Å; L661-P671 WeakPolarHBondContact O-CA 3.15Å; L661-P671 WeakPolarHBondContact O-CB 3.4Å; L661-M672 PolarHBondContact N-O 3.1Å; L661-M672 VanDerWaalsContact N-O 3.14Å; L661-M672 PolarHBondContact O-N 3.31Å; L661-M672 VanDerWaalsContact O-N 3.08Å
662	E	59.4	Low	60.3	Low	63 Å²	63	80.2 Å²	80.2	29%	0.294	38%	0.383	S	S	.	.			trans	-63	111	159.7	-70.2	175.4	-171.2	0	0	107.1	N622 P671	N622-E662 PolarHBondContact ND2-OE2 3.06Å; N622-E662 PolarHBondContact OD1-OE2 3.26Å; E662-P671 HydrophobicContact CG-CB 4.42Å
663	D	55.2	Low	62.3	Low	47 Å²	47	68.1 Å²	68.1	25%	0.251	34%	0.338	S	S	.	.			trans	-88.8	122	164.6	-162.2	-29.3	0	0	0	105.2	L661 S665 H666 R680	L661-D663 PolarHBondContact O-N 2.84Å; L661-D663 VanDerWaalsContact O-N 3.11Å; D663-S665 VanDerWaalsContact CG-OG 3.22Å; D663-S665 PolarHBondContact O-N 3.13Å; D663-S665 PolarHBondContact OD1-OG 2.72Å; D663-H666 PolarHBondContact O-N 3.24Å; D663-R680 IonicContact OD2-NH1 3.33Å; D663-R680 PolarHBondContact OD2-NH1 2.88Å
664	E	51.4	Low	64.3	Low	193 Å²	193	66.2 Å²	66.2	90%	0.902	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-19.2	-178.2	-65.9	179.2	171	0	0	112.6
665	S	50.2	Low	66.5	Low	43 Å²	43	58.9 Å²	58.9	30%	0.301	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-10	-172	52.2	0	0	0	0	116.8	D663	D663-S665 VanDerWaalsContact CG-OG 3.22Å; D663-S665 PolarHBondContact O-N 3.13Å; D663-S665 PolarHBondContact OD1-OG 2.72Å
666	H	52.7	Low	68.4	Low	8 Å²	8	49.7 Å²	49.7	4%	0.037	26%	0.262	C	S	.	.			trans	-138.8	47.8	-167.7	-56.6	-61.4	0	0	0	115.7	D663 Y668 I669 G670 R680 L752	D663-H666 PolarHBondContact O-N 3.24Å; H666-Y668 PolarHBondContact O-N 3.43Å; H666-I669 PolarHBondContact O-N 2.89Å; H666-G670 PolarHBondContact O-N 2.92Å; H666-R680 PolarHBondContact CD2-NH1 3.19Å; H666-R680 PolarHBondContact NE2-NH1 3.49Å; H666-R680 VanDerWaalsContact NE2-NH1 3.17Å; H666-R680 PolarHBondContact NE2-NH2 3.49Å; H666-L752 PolarHBondContact CE1-O 3.27Å; H666-L752 VanDerWaalsContact ND1-CD1 3.31Å; H666-L752 WeakPolarHBondContact ND1-CD1 3.3Å
667	S	55.3	Low	69.5	Low	40 Å²	40	45.1 Å²	45.1	28%	0.28	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.4	-43.5	179.5	159.5	0	0	0	0	114.2	Q618 I669 G670	Q618-S667 WeakPolarHBondContact CA-O 3.26Å; Q618-S667 PolarHBondContact O-OG 2.95Å; S667-I669 PolarHBondContact O-N 3.15Å; S667-G670 PolarHBondContact O-N 2.85Å
668	Y	61.5	Low	70.4	Confident	83 Å²	83	46.3 Å²	46.3	33%	0.325	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-32.7	-172	-47.7	-72.1	0	0	0	115.9	H666 E704 L768	H666-Y668 PolarHBondContact O-N 3.43Å; Y668-E704 WeakPolarHBondContact CD1-OE1 3.34Å; Y668-E704 VanDerWaalsContact CD1-OE2 3.31Å; Y668-E704 WeakPolarHBondContact CD1-OE2 3.39Å; Y668-L768 HydrophobicContact CD2-CD2 4.16Å
669	I	70.3	Confident	71.3	Confident	11 Å²	11	45 Å²	45	6%	0.056	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-12.6	179.4	-44.4	-173.3	0	0	0	110.7	H666 S667 M672 P682 N706 L752	H666-I669 PolarHBondContact O-N 2.89Å; S667-I669 PolarHBondContact O-N 3.15Å; I669-M672 HydrophobicContact CB-CE 3.47Å; I669-M672 VanDerWaalsContact CB-CE 3.47Å; I669-M672 HydrophobicContact CG2-CE 3.49Å; I669-M672 VanDerWaalsContact CG2-CE 3.49Å; I669-P682 HydrophobicContact CG2-CB 3.71Å; I669-P682 HydrophobicContact CG2-CG 3.57Å; I669-N706 PolarHBondContact O-ND2 2.88Å; I669-L752 HydrophobicContact CD1-CD1 3.71Å; I669-L752 HydrophobicContact CD1-CD2 3.93Å; I669-L752 HydrophobicContact CD1-CG 4.31Å; I669-L752 HydrophobicContact CG1-CD1 4.39Å
670	G	73.9	Confident	72	Confident	9 Å²	9	43.2 Å²	43.2	9%	0.093	24%	0.237	C	C	.	.			trans	82.8	-163.7	-178.9	0	0	0	0	0	113.5	H666 S667 M672	H666-G670 PolarHBondContact O-N 2.92Å; S667-G670 PolarHBondContact O-N 2.85Å; G670-M672 WeakPolarHBondContact O-CE 3.02Å
671	P	79	Confident	72.5	Confident	7 Å²	7	42.7 Å²	42.7	5%	0.045	23%	0.233	C	C	.	.			trans	-67.3	144.1	-173.5	27.2	-34.6	0	0	0	112	I627 C660 L661 E662 C683 Y684	I627-P671 HydrophobicContact CD1-CG 4.25Å; C660-P671 HydrophobicContact CB-CB 4.38Å; L661-P671 WeakPolarHBondContact O-CA 3.15Å; L661-P671 WeakPolarHBondContact O-CB 3.4Å; E662-P671 HydrophobicContact CG-CB 4.42Å; P671-C683 HydrophobicContact CG-CB 4.49Å; P671-C683 WeakPolarHBondContact O-CB 3.25Å; P671-C683 PolarHBondContact O-N 3.1Å; P671-Y684 HydrophobicContact CG-CD2 3.77Å; P671-Y684 HydrophobicContact CG-CE2 3.83Å
672	M	81.7	Confident	73.4	Confident	8 Å²	8	39.3 Å²	39.3	4%	0.039	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	155.8	-174.4	-61.5	-73.7	136.1	0	0	110.3	L661 I669 G670 P682	L661-M672 PolarHBondContact N-O 3.1Å; L661-M672 VanDerWaalsContact N-O 3.14Å; L661-M672 PolarHBondContact O-N 3.31Å; L661-M672 VanDerWaalsContact O-N 3.08Å; I669-M672 HydrophobicContact CB-CE 3.47Å; I669-M672 VanDerWaalsContact CB-CE 3.47Å; I669-M672 HydrophobicContact CG2-CE 3.49Å; I669-M672 VanDerWaalsContact CG2-CE 3.49Å; G670-M672 WeakPolarHBondContact O-CE 3.02Å; M672-P682 HydrophobicContact CE-CB 3.43Å; M672-P682 VanDerWaalsContact CE-CB 3.43Å; M672-P682 HydrophobicContact CE-CG 3.6Å; M672-P682 WeakPolarHBondContact SD-CA 3.44Å; M672-P682 HydrophobicContact SD-CB 3.75Å; M672-P682 HydrophobicContact SD-CG 3.6Å
673	C	83.6	Confident	74.6	Confident	5 Å²	5	36.3 Å²	36.3	3%	0.034	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	150.1	172.4	-163	0	0	0	0	112.1	T633 C639 R680 E681	T633-C673 HydrophobicContact CG2-CB 4.24Å; C639-C673 WeakPolarHBondContact CA-SG 3.02Å; C639-C673 HydrophobicContact CB-CB 4.28Å; C639-C673 WeakPolarHBondContact CB-SG 3.49Å; C639-C673 WeakPolarHBondContact SG-CB 3Å; C639-C673 CovalentContact SG-SG 2.01Å; C639-C673 PolarHBondContact SG-SG 3.14Å; C673-R680 CarbonylContact O-C 3.59Å; C673-R680 VanDerWaalsContact O-CA 3.23Å; C673-R680 WeakPolarHBondContact O-CA 3.03Å; C673-E681 PolarHBondContact N-O 3.38Å; C673-E681 PolarHBondContact O-N 3.28Å
674	Y	85.9	Confident	75.8	Confident	38 Å²	38	34.7 Å²	34.7	15%	0.149	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	133.7	172.5	-73.5	-93.9	0	0	0	109.2	V640 K642 T679 R680	V640-Y674 WeakPolarHBondContact CG2-O 3.22Å; V640-Y674 PolarHBondContact N-O 3.38Å; K642-Y674 HydrophobicContact CD-CE2 4.29Å; K642-Y674 HydrophobicContact CG-CD2 3.85Å; K642-Y674 HydrophobicContact CG-CE2 3.8Å; Y674-T679 WeakPolarHBondContact CA-O 3.35Å; Y674-R680 HydrophobicContact CD1-CG 3.83Å; Y674-R680 HydrophobicContact CD2-CG 4.29Å; Y674-R680 HydrophobicContact CE1-CG 3.59Å; Y674-R680 HydrophobicContact CE2-CG 4.05Å; Y674-R680 HydrophobicContact CG-CG 4.18Å
675	I	87.3	Confident	77.4	Confident	26 Å²	26	26 Å²	26	13%	0.133	15%	0.151	C	C	.	.	S	Bend	trans	-104.7	-18.4	172.5	53.6	166.5	0	0	0	112.2	T633 R637 T679 E681 Q758	T633-I675 HydrophobicContact CG2-CG2 3.59Å; R637-I675 HydrophobicContact CB-CG2 4.16Å; I675-T679 HydrophobicContact CD1-CG2 4.07Å; I675-T679 HydrophobicContact CG1-CG2 4.25Å; I675-T679 WeakPolarHBondContact CG1-O 3.01Å; I675-T679 PolarHBondContact N-O 3.24Å; I675-E681 HydrophobicContact CD1-CB 4.41Å; I675-E681 HydrophobicContact CG2-CB 3.81Å; I675-E681 WeakPolarHBondContact CG2-OE2 3.38Å; I675-Q758 HydrophobicContact CD1-CB 3.96Å
676	N	86.4	Confident	78.8	Confident	66 Å²	66	24 Å²	24	35%	0.353	14%	0.137	S	C	.	.	S	Bend	trans	-147.9	-172.4	169.9	66.2	40.4	0	0	0	108.5	V640 T678 T679	V640-N676 WeakPolarHBondContact CG2-O 3.23Å; N676-T678 PolarHBondContact O-N 3.11Å; N676-T678 VanDerWaalsContact O-N 3.17Å; N676-T678 PolarHBondContact OD1-N 3.41Å; N676-T678 PolarHBondContact OD1-OG1 3.38Å; N676-T679 VanDerWaalsContact ND2-CB 3.3Å; N676-T679 WeakPolarHBondContact ND2-CB 2.98Å; N676-T679 PolarHBondContact ND2-OG1 2.59Å; N676-T679 WeakPolarHBondContact OD1-CA 3.26Å; N676-T679 WeakPolarHBondContact OD1-CB 3.31Å; N676-T679 PolarHBondContact OD1-N 2.04Å; N676-T679 PolarHBondContact OD1-OG1 3.37Å
677	A	79.1	Confident	79.6	Confident	63 Å²	63	25 Å²	25	52%	0.521	14%	0.144	S	C	.	.	S	Bend	trans	-59.9	-27.3	-175.9	0	0	0	0	0	114.5	P643	P643-A677 HydrophobicContact CG-CB 4.15Å; P643-A677 WeakPolarHBondContact CG-O 3.37Å
678	T	81.8	Confident	80.4	Confident	88 Å²	88	25 Å²	25	54%	0.54	14%	0.14	S	C	.	.	S	Bend	trans	-125.3	-21.7	-171.8	56.8	0	0	0	0	114	N676	N676-T678 PolarHBondContact O-N 3.11Å; N676-T678 VanDerWaalsContact O-N 3.17Å; N676-T678 PolarHBondContact OD1-N 3.41Å; N676-T678 PolarHBondContact OD1-OG1 3.38Å
679	T	86.4	Confident	81.5	Confident	25 Å²	25	21.5 Å²	21.5	15%	0.153	13%	0.126	C	C	.	.			trans	-102.5	130	-170.1	-46.9	0	0	0	0	110.6	Y674 I675 N676 P756 Q758	Y674-T679 WeakPolarHBondContact CA-O 3.35Å; I675-T679 HydrophobicContact CD1-CG2 4.07Å; I675-T679 HydrophobicContact CG1-CG2 4.25Å; I675-T679 WeakPolarHBondContact CG1-O 3.01Å; I675-T679 PolarHBondContact N-O 3.24Å; N676-T679 VanDerWaalsContact ND2-CB 3.3Å; N676-T679 WeakPolarHBondContact ND2-CB 2.98Å; N676-T679 PolarHBondContact ND2-OG1 2.59Å; N676-T679 WeakPolarHBondContact OD1-CA 3.26Å; N676-T679 WeakPolarHBondContact OD1-CB 3.31Å; N676-T679 PolarHBondContact OD1-N 2.04Å; N676-T679 PolarHBondContact OD1-OG1 3.37Å; T679-P756 WeakPolarHBondContact CA-O 3.48Å; T679-P756 HydrophobicContact CG2-CB 4.45Å; T679-Q758 HydrophobicContact CG2-CB 4.03Å
680	R	86.8	Confident	81.7	Confident	1 Å²	1	22.2 Å²	22.2	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	155.1	176.5	-59.3	179.7	-62.8	165.3	9.9	110.9	D663 H666 C673 Y674 P756 I757 Q758	D663-R680 IonicContact OD2-NH1 3.33Å; D663-R680 PolarHBondContact OD2-NH1 2.88Å; H666-R680 PolarHBondContact CD2-NH1 3.19Å; H666-R680 PolarHBondContact NE2-NH1 3.49Å; H666-R680 VanDerWaalsContact NE2-NH1 3.17Å; H666-R680 PolarHBondContact NE2-NH2 3.49Å; C673-R680 CarbonylContact O-C 3.59Å; C673-R680 VanDerWaalsContact O-CA 3.23Å; C673-R680 WeakPolarHBondContact O-CA 3.03Å; Y674-R680 HydrophobicContact CD1-CG 3.83Å; Y674-R680 HydrophobicContact CD2-CG 4.29Å; Y674-R680 HydrophobicContact CE1-CG 3.59Å; Y674-R680 HydrophobicContact CE2-CG 4.05Å; Y674-R680 HydrophobicContact CG-CG 4.18Å; R680-P756 PolarHBondContact N-O 3.28Å; R680-I757 CarbonylContact O-C 3.6Å; R680-I757 VanDerWaalsContact O-CA 3.29Å; R680-I757 WeakPolarHBondContact O-CA 3.39Å; R680-Q758 PolarHBondContact O-N 3.28Å
681	E	86.9	Confident	81.8	Confident	2 Å²	2	25.3 Å²	25.3	1%	0.009	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	142.6	172.5	-174	179.8	-165.9	0	0	109.7	T633 T635 C673 I675	T633-E681 VanDerWaalsContact CB-OE2 3.26Å; T633-E681 WeakPolarHBondContact CB-OE2 3.09Å; T633-E681 HydrophobicContact CG2-CB 3.92Å; T633-E681 HydrophobicContact CG2-CG 4.24Å; T633-E681 WeakPolarHBondContact CG2-OE2 3.28Å; T633-E681 PolarHBondContact OG1-OE2 3.14Å; T635-E681 WeakPolarHBondContact CB-OE1 3.39Å; T635-E681 WeakPolarHBondContact CG2-OE1 3.34Å; T635-E681 VanDerWaalsContact OG1-CD 3.23Å; T635-E681 PolarHBondContact OG1-OE1 3.03Å; T635-E681 PolarHBondContact OG1-OE2 3.13Å; T635-E681 VanDerWaalsContact OG1-OE2 3.12Å; C673-E681 PolarHBondContact N-O 3.38Å; C673-E681 PolarHBondContact O-N 3.28Å; I675-E681 HydrophobicContact CD1-CB 4.41Å; I675-E681 HydrophobicContact CG2-CB 3.81Å; I675-E681 WeakPolarHBondContact CG2-OE2 3.38Å
682	P	86.8	Confident	82	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	145.7	175.2	-16.8	29.3	0	0	0	112.9	R634 I669 M672	R634-P682 WeakPolarHBondContact CD-O 3.46Å; R634-P682 VanDerWaalsContact CG-O 3.23Å; R634-P682 WeakPolarHBondContact CG-O 3.31Å; R634-P682 PolarHBondContact N-O 3.45Å; I669-P682 HydrophobicContact CG2-CB 3.71Å; I669-P682 HydrophobicContact CG2-CG 3.57Å; M672-P682 HydrophobicContact CE-CB 3.43Å; M672-P682 VanDerWaalsContact CE-CB 3.43Å; M672-P682 HydrophobicContact CE-CG 3.6Å; M672-P682 WeakPolarHBondContact SD-CA 3.44Å; M672-P682 HydrophobicContact SD-CB 3.75Å; M672-P682 HydrophobicContact SD-CG 3.6Å
683	C	83.6	Confident	82.1	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-88.2	-26.3	-174.8	-74.5	0	0	0	0	115.4	T633 R634 C660 P671	T633-C683 CarbonylContact C-O 3.01Å; R634-C683 VanDerWaalsContact CA-O 3.3Å; R634-C683 WeakPolarHBondContact CA-O 3.22Å; R634-C683 WeakPolarHBondContact CB-O 3.4Å; R634-C683 PolarHBondContact N-O 2.78Å; R634-C683 VanDerWaalsContact N-O 3.08Å; C660-C683 HydrophobicContact CB-CB 3.69Å; C660-C683 WeakPolarHBondContact CB-SG 3.16Å; C660-C683 WeakPolarHBondContact SG-CB 3.13Å; C660-C683 CovalentContact SG-SG 2.01Å; C660-C683 PolarHBondContact SG-SG 2.88Å; P671-C683 HydrophobicContact CG-CB 4.49Å; P671-C683 WeakPolarHBondContact O-CB 3.25Å; P671-C683 PolarHBondContact O-N 3.1Å
684	Y	82.4	Confident	82.3	Confident	12 Å²	12	29.7 Å²	29.7	5%	0.047	17%	0.165	C	C	.	.			trans	-135.8	147	-176.8	-56.7	-80.8	0	0	0	110	A610 R612 L617 I627 E628 S630 P671	A610-Y684 HydrophobicContact CB-CD1 3.64Å; A610-Y684 HydrophobicContact CB-CE1 3.93Å; A610-Y684 WeakPolarHBondContact O-CA 3.46Å; R612-Y684 HydrophobicContact CG-CD1 3.74Å; R612-Y684 HydrophobicContact CG-CD2 4.42Å; R612-Y684 HydrophobicContact CG-CE1 4.1Å; R612-Y684 HydrophobicContact CG-CG 3.92Å; L617-Y684 HydrophobicContact CD2-CD2 4.19Å; L617-Y684 HydrophobicContact CD2-CG 4.3Å; I627-Y684 HydrophobicContact CG2-CE2 4Å; E628-Y684 PolarHBondContact O-OH 2.69Å; S630-Y684 WeakPolarHBondContact CB-OH 3.27Å; P671-Y684 HydrophobicContact CG-CD2 3.77Å; P671-Y684 HydrophobicContact CG-CE2 3.83Å
685	Y	84.1	Confident	82.3	Confident	12 Å²	12	27.9 Å²	27.9	5%	0.047	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	156.8	156.5	-63.4	-69.9	0	0	0	109.7	V609 A610 C611 R612 R634 C687 N706 G707 P708 Q761	V609-Y685 HydrophobicContact CG1-CD2 3.61Å; V609-Y685 HydrophobicContact CG1-CE2 4.02Å; A610-Y685 PolarHBondContact O-N 3.1Å; C611-Y685 CarbonylContact C-O 3.44Å; C611-Y685 WeakPolarHBondContact CA-O 3.13Å; C611-Y685 WeakPolarHBondContact CB-O 3.38Å; R612-Y685 PolarHBondContact N-O 2.72Å; R634-Y685 HydrophobicContact CB-CD2 3.78Å; R634-Y685 HydrophobicContact CB-CE2 3.63Å; R634-Y685 HydrophobicContact CB-CG 4.36Å; R634-Y685 VanDerWaalsContact CD-CZ 3.49Å; R634-Y685 HydrophobicContact CG-CD2 4.16Å; R634-Y685 HydrophobicContact CG-CE1 4.03Å; R634-Y685 HydrophobicContact CG-CE2 3.63Å; R634-Y685 VanDerWaalsContact NH1-CE1 3.27Å; Y685-C687 PolarHBondContact O-N 3.12Å; Y685-N706 CarbonylContact C-O 3.5Å; Y685-N706 WeakPolarHBondContact CA-O 3.44Å; Y685-N706 WeakPolarHBondContact CB-O 3.32Å; Y685-G707 WeakPolarHBondContact CD1-O 3.32Å; Y685-G707 VanDerWaalsContact CE1-C 3.49Å; Y685-G707 WeakPolarHBondContact CE1-O 3.47Å; Y685-P708 HydrophobicContact CD1-CB 4.45Å; Y685-P708 HydrophobicContact CE1-CB 3.97Å; Y685-P708 HydrophobicContact CE2-CB 4.09Å; Y685-Q761 HydrophobicContact CE1-CG 4.28Å; Y685-Q761 PolarHBondContact OH-NE2 3.17Å; Y685-Q761 VanDerWaalsContact OH-NE2 3.11Å
686	A	78.9	Confident	82.2	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.008	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	125.6	160.6	0	0	0	0	0	108.4	R612 L617 E688 H689 N706	R612-A686 CarbonylContact O-C 3.54Å; R612-A686 VanDerWaalsContact O-CA 3.23Å; R612-A686 WeakPolarHBondContact O-CA 2.98Å; L617-A686 HydrophobicContact CD1-CB 4.24Å; A686-E688 VanDerWaalsContact C-N 3.31Å; A686-E688 HydrophobicContact CB-CG 4.35Å; A686-E688 PolarHBondContact O-N 3.33Å; A686-H689 HydrophobicContact CB-CB 4.05Å; A686-H689 VanDerWaalsContact CB-ND1 3.27Å; A686-H689 WeakPolarHBondContact CB-ND1 3.14Å; A686-H689 PolarHBondContact O-N 3.13Å; A686-N706 HydrophobicContact CB-CB 4.09Å; A686-N706 PolarHBondContact N-O 2.87Å
687	C	70.7	Confident	81.7	Confident	27 Å²	27	29 Å²	29	18%	0.182	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-59	-45	-176.2	-64.6	0	0	0	0	110.9	C611 R612 Y685 H689 R690 W910	C611-C687 HydrophobicContact CB-CB 3.9Å; C611-C687 WeakPolarHBondContact CB-SG 3.48Å; C611-C687 VanDerWaalsContact SG-CA 3.59Å; C611-C687 WeakPolarHBondContact SG-CB 3.37Å; C611-C687 CovalentContact SG-SG 2.05Å; C611-C687 PolarHBondContact SG-SG 2.99Å; R612-C687 WeakPolarHBondContact CA-SG 3.11Å; R612-C687 PolarHBondContact N-SG 3.26Å; R612-C687 PolarHBondContact O-N 2.88Å; Y685-C687 PolarHBondContact O-N 3.12Å; C687-H689 PolarHBondContact O-N 3.44Å; C687-H689 VanDerWaalsContact O-N 3.07Å; C687-R690 PolarHBondContact O-N 3.11Å; C687-W910 HydrophobicContact CB-CZ2 4.22Å; C687-W910 PolarHBondContact O-NE1 2.67Å
688	E	71.9	Confident	81.4	Confident	41 Å²	41	32.6 Å²	32.6	19%	0.192	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-57.1	-23.7	176.3	62.1	-91.6	-139.9	0	0	113.4	G614 A686 N909	G614-E688 WeakPolarHBondContact CA-OE1 2.85Å; G614-E688 VanDerWaalsContact N-CD 3.32Å; G614-E688 PolarHBondContact N-OE1 3.25Å; G614-E688 PolarHBondContact N-OE2 3.13Å; A686-E688 VanDerWaalsContact C-N 3.31Å; A686-E688 HydrophobicContact CB-CG 4.35Å; A686-E688 PolarHBondContact O-N 3.33Å; E688-N909 PolarHBondContact O-OD1 2.91Å; E688-N909 VanDerWaalsContact O-OD1 3.11Å
689	H	84	Confident	81.2	Confident	9 Å²	9	30.9 Å²	30.9	4%	0.042	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-94.7	-6.7	-176.4	-62.8	155.8	0	0	0	114.3	A686 C687 L692 E704 Y705 N706	A686-H689 HydrophobicContact CB-CB 4.05Å; A686-H689 VanDerWaalsContact CB-ND1 3.27Å; A686-H689 WeakPolarHBondContact CB-ND1 3.14Å; A686-H689 PolarHBondContact O-N 3.13Å; C687-H689 PolarHBondContact O-N 3.44Å; C687-H689 VanDerWaalsContact O-N 3.07Å; H689-L692 HydrophobicContact CB-CD1 4.22Å; H689-E704 PolarHBondContact CE1-O 2.74Å; H689-Y705 HydrophobicContact CB-CD2 3.98Å; H689-Y705 HydrophobicContact CB-CE2 3.8Å; H689-Y705 AromaticContact CG-CD2 4Å; H689-Y705 PolarHBondContact O-OH 3.11Å; H689-N706 PolarHBondContact ND1-N 3.29Å
690	R	75.1	Confident	80.8	Confident	27 Å²	27	29.9 Å²	29.9	10%	0.102	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-38.8	-172.8	174.4	-156.9	177.3	-164.5	3.8	113.6	M603 E606 C687 P708 W910	M603-R690 PolarHBondContact SD-NH1 3.04Å; M603-R690 PolarHBondContact SD-NH2 3.37Å; E606-R690 IonicContact OE2-CZ 2.66Å; E606-R690 IonicContact OE2-NH2 3.37Å; E606-R690 PolarHBondContact OE2-NH2 2.76Å; C687-R690 PolarHBondContact O-N 3.11Å; R690-P708 VanDerWaalsContact CA-CD 3.5Å; R690-P708 HydrophobicContact CB-CG 4.37Å; R690-P708 HydrophobicContact CG-CG 4.05Å; R690-P708 WeakPolarHBondContact O-CG 3.28Å; R690-W910 HydrophobicContact CB-CZ2 3.44Å; R690-W910 VanDerWaalsContact CB-CZ2 3.44Å; R690-W910 VanDerWaalsContact CD-CE2 3.44Å; R690-W910 VanDerWaalsContact CD-CH2 3.48Å; R690-W910 HydrophobicContact CG-CZ2 3.79Å
691	N	75.4	Confident	80	Confident	73 Å²	73	31.8 Å²	31.8	39%	0.39	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	18.1	-175.3	-66.2	-8.2	0	0	0	113	L693 H908	N691-L693 PolarHBondContact O-N 3.16Å; N691-H908 WeakPolarHBondContact CB-O 3.16Å
692	L	83	Confident	79.3	Confident	12 Å²	12	36.4 Å²	36.4	6%	0.063	18%	0.184	C	C	.	.			trans	-60.1	125.9	175.7	-73.5	178.9	0	0	0	110.4	H689 I695 I703 Y705 F805 E905	H689-L692 HydrophobicContact CB-CD1 4.22Å; L692-I695 HydrophobicContact CD1-CG1 4.24Å; L692-I703 HydrophobicContact CD1-CD1 3.95Å; L692-Y705 HydrophobicContact CD1-CD2 3.99Å; L692-Y705 HydrophobicContact CD1-CE2 3.94Å; L692-F805 HydrophobicContact CB-CE1 4.12Å; L692-F805 HydrophobicContact CB-CZ 4.44Å; L692-F805 VanDerWaalsContact O-CE1 3.26Å; L692-F805 WeakPolarHBondContact O-CE1 3.41Å; L692-E905 HydrophobicContact CD2-CG 3.66Å
693	L	84.3	Confident	78.8	Confident	100 Å²	100	36.4 Å²	36.4	52%	0.524	18%	0.184	S	C	.	.	S	Bend	trans	-100.6	-40.5	171.4	-84.2	115.5	0	0	0	111.7	N691 H908	N691-L693 PolarHBondContact O-N 3.16Å; L693-H908 HydrophobicContact CB-CB 4.44Å; L693-H908 HydrophobicContact CD1-CB 3.78Å
694	C	87.7	Confident	78.5	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	164.6	174.7	66.7	0	0	0	0	109.5	L806 C808 M811	C694-L806 WeakPolarHBondContact CA-O 3.42Å; C694-C808 HydrophobicContact CB-CB 3.91Å; C694-C808 WeakPolarHBondContact CB-SG 3.28Å; C694-C808 WeakPolarHBondContact SG-CA 3.41Å; C694-C808 WeakPolarHBondContact SG-CB 3.38Å; C694-C808 CovalentContact SG-SG 2.04Å; C694-C808 PolarHBondContact SG-SG 2.98Å; C694-M811 HydrophobicContact CB-CE 3.52Å; C694-M811 HydrophobicContact CB-SD 3.99Å; C694-M811 WeakPolarHBondContact SG-CE 3.43Å
695	I	85.9	Confident	78.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	136.2	175.6	-63.4	165.9	0	0	0	107.6	L692 H699 M700 I703 P789 F805 L806 T807 C808	L692-I695 HydrophobicContact CD1-CG1 4.24Å; I695-H699 HydrophobicContact CG2-CB 3.99Å; I695-M700 HydrophobicContact CB-CE 3.75Å; I695-M700 HydrophobicContact CB-SD 3.75Å; I695-M700 HydrophobicContact CD1-SD 4Å; I695-M700 HydrophobicContact CG1-SD 4.45Å; I695-M700 HydrophobicContact CG2-CB 4.24Å; I695-M700 HydrophobicContact CG2-CE 4.31Å; I695-M700 HydrophobicContact CG2-SD 3.89Å; I695-I703 HydrophobicContact CD1-CD1 3.98Å; I695-I703 HydrophobicContact CD1-CG2 4.24Å; I695-I703 HydrophobicContact CG1-CD1 4.19Å; I695-I703 HydrophobicContact CG2-CD1 4.18Å; I695-I703 HydrophobicContact CG2-CG2 4.28Å; I695-P789 HydrophobicContact CD1-CG 3.69Å; I695-F805 HydrophobicContact CD1-CB 3.95Å; I695-F805 HydrophobicContact CD1-CD2 3.48Å; I695-F805 VanDerWaalsContact CD1-CD2 3.48Å; I695-F805 HydrophobicContact CD1-CE2 4.1Å; I695-F805 HydrophobicContact CD1-CG 3.72Å; I695-F805 HydrophobicContact CG1-CB 4.24Å; I695-F805 HydrophobicContact CG1-CD2 4.39Å; I695-F805 HydrophobicContact CG1-CG 4.18Å; I695-L806 PolarHBondContact N-O 2.65Å; I695-T807 WeakPolarHBondContact O-CA 3.42Å; I695-C808 PolarHBondContact O-N 3.02Å; I695-C808 VanDerWaalsContact O-N 3.14Å
696	D	84.5	Confident	78.6	Confident	58 Å²	58	38.8 Å²	38.8	31%	0.31	20%	0.196	S	C	.	.			trans	-62.7	143.4	178.8	-71.3	-21	0	0	0	110.2	D698 H699 M700 C808 E905	D696-D698 VanDerWaalsContact C-N 3.26Å; D696-D698 PolarHBondContact O-N 3.41Å; D696-D698 VanDerWaalsContact O-N 3.15Å; D696-H699 HydrophobicContact CB-CB 4.34Å; D696-H699 CarbonylContact O-C 3.56Å; D696-H699 WeakPolarHBondContact O-CA 3.21Å; D696-H699 PolarHBondContact O-N 3.18Å; D696-M700 PolarHBondContact O-N 3.21Å; D696-C808 WeakPolarHBondContact OD1-CB 3.41Å; D696-C808 PolarHBondContact OD1-SG 3.04Å; D696-C808 VanDerWaalsContact OD1-SG 3.41Å; D696-E905 PolarHBondContact N-OE2 3.13Å; D696-E905 VanDerWaalsContact N-OE2 3.11Å; D696-E905 PolarHBondContact OD1-N 3.24Å
697	R	76.7	Confident	79	Confident	58 Å²	58	38.7 Å²	38.7	22%	0.219	20%	0.196	C	C	.	.	H	α-helix	trans	-52.3	-42.3	-175	-180	-178.5	-61.8	160.8	4.2	114	H699 M700 T807 E809 V828	R697-H699 VanDerWaalsContact C-N 3.29Å; R697-M700 WeakPolarHBondContact O-CB 3.19Å; R697-M700 PolarHBondContact O-N 3.33Å; R697-T807 HydrophobicContact CB-CG2 4.26Å; R697-E809 PolarHBondContact N-OE2 2.91Å; R697-V828 PolarHBondContact NH2-O 3.11Å
698	D	72.9	Confident	79.8	Confident	138 Å²	138	39.3 Å²	39.3	74%	0.738	20%	0.199	S	C	*	.	H	α-helix	trans	-71.7	-27.3	-179.2	-67.7	-18.2	0	0	0	112.1	D696	D696-D698 VanDerWaalsContact C-N 3.26Å; D696-D698 PolarHBondContact O-N 3.41Å; D696-D698 VanDerWaalsContact O-N 3.15Å
699	H	77.7	Confident	80.7	Confident	53 Å²	53	40 Å²	40	25%	0.245	20%	0.201	C	C	.	.	H	α-helix	trans	-82.9	-28.1	177.2	-165	-164.1	0	0	0	112	I695 D696 R697 L701 N702 I703 E905	I695-H699 HydrophobicContact CG2-CB 3.99Å; D696-H699 HydrophobicContact CB-CB 4.34Å; D696-H699 CarbonylContact O-C 3.56Å; D696-H699 WeakPolarHBondContact O-CA 3.21Å; D696-H699 PolarHBondContact O-N 3.18Å; R697-H699 VanDerWaalsContact C-N 3.29Å; H699-L701 PolarHBondContact O-N 2.77Å; H699-N702 PolarHBondContact O-N 3.16Å; H699-I703 WeakPolarHBondContact O-CB 3.29Å; H699-I703 WeakPolarHBondContact O-CG2 3.26Å; H699-I703 PolarHBondContact O-N 3.23Å; H699-E905 IonicContact CE1-OE1 2.72Å; H699-E905 PolarHBondContact CE1-OE1 3.28Å; H699-E905 VanDerWaalsContact CE1-OE1 3.27Å; H699-E905 IonicContact CG-OE2 3.27Å; H699-E905 VanDerWaalsContact ND1-CD 3.3Å; H699-E905 IonicContact ND1-OE1 3.46Å; H699-E905 PolarHBondContact ND1-OE1 2.82Å; H699-E905 IonicContact ND1-OE2 3.21Å; H699-E905 PolarHBondContact ND1-OE2 2.65Å
700	M	77.3	Confident	81.1	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.02	22%	0.217	C	C	.	.	H	α-helix	trans	-52.3	-33.1	-179.7	-160.8	70.8	85	0	0	112.8	I695 D696 R697 N764 K787 G788 F805 T807	I695-M700 HydrophobicContact CB-CE 3.75Å; I695-M700 HydrophobicContact CB-SD 3.75Å; I695-M700 HydrophobicContact CD1-SD 4Å; I695-M700 HydrophobicContact CG1-SD 4.45Å; I695-M700 HydrophobicContact CG2-CB 4.24Å; I695-M700 HydrophobicContact CG2-CE 4.31Å; I695-M700 HydrophobicContact CG2-SD 3.89Å; D696-M700 PolarHBondContact O-N 3.21Å; R697-M700 WeakPolarHBondContact O-CB 3.19Å; R697-M700 PolarHBondContact O-N 3.33Å; M700-N764 PolarHBondContact O-ND2 3.38Å; M700-K787 HydrophobicContact CB-CB 4.44Å; M700-K787 HydrophobicContact CG-CB 3.77Å; M700-K787 WeakPolarHBondContact CG-O 3.28Å; M700-G788 WeakPolarHBondContact O-CA 3.2Å; M700-G788 PolarHBondContact O-N 2.94Å; M700-F805 HydrophobicContact CE-CB 4.5Å; M700-T807 HydrophobicContact CE-CG2 3.57Å
701	L	70.8	Confident	81.9	Confident	41 Å²	41	43.9 Å²	43.9	22%	0.215	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-31.5	179.9	-65.2	175.6	0	0	0	114.2	H699 L766 K787	H699-L701 PolarHBondContact O-N 2.77Å; L701-L766 HydrophobicContact CD2-CD1 3.99Å; L701-K787 HydrophobicContact CD2-CB 4.29Å; L701-K787 HydrophobicContact CD2-CD 4.21Å; L701-K787 HydrophobicContact CD2-CG 3.76Å
702	N	71	Confident	82.5	Confident	98 Å²	98	40.5 Å²	40.5	52%	0.524	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-4.9	-165.5	-61.1	-39.8	0	0	0	113.6	H699 E704 T767	H699-N702 PolarHBondContact O-N 3.16Å; N702-E704 PolarHBondContact O-N 3.39Å; N702-T767 WeakPolarHBondContact O-CG2 3.2Å
703	I	78	Confident	82.7	Confident	1 Å²	1	42 Å²	42	1%	0.005	22%	0.218	C	C	.	.			trans	-67	119	-179.6	-169.3	172.3	0	0	0	111.1	L692 I695 H699 Y705 N764 T767 P789	L692-I703 HydrophobicContact CD1-CD1 3.95Å; I695-I703 HydrophobicContact CD1-CD1 3.98Å; I695-I703 HydrophobicContact CD1-CG2 4.24Å; I695-I703 HydrophobicContact CG1-CD1 4.19Å; I695-I703 HydrophobicContact CG2-CD1 4.18Å; I695-I703 HydrophobicContact CG2-CG2 4.28Å; H699-I703 WeakPolarHBondContact O-CB 3.29Å; H699-I703 WeakPolarHBondContact O-CG2 3.26Å; H699-I703 PolarHBondContact O-N 3.23Å; I703-Y705 PolarHBondContact O-N 3.3Å; I703-N764 WeakPolarHBondContact O-CB 3.07Å; I703-N764 PolarHBondContact O-ND2 2.77Å; I703-T767 WeakPolarHBondContact O-CG2 3.4Å; I703-P789 HydrophobicContact CG2-CG 4.12Å
704	E	76.6	Confident	82.7	Confident	52 Å²	52	41.6 Å²	41.6	24%	0.243	21%	0.214	C	C	.	.			trans	-81.6	71	169.3	-71.5	-176.5	-166.8	0	0	110	Q618 Y668 H689 N702 N706 T767	Q618-E704 VanDerWaalsContact NE2-CD 3.28Å; Q618-E704 PolarHBondContact NE2-OE2 3.14Å; Y668-E704 WeakPolarHBondContact CD1-OE1 3.34Å; Y668-E704 VanDerWaalsContact CD1-OE2 3.31Å; Y668-E704 WeakPolarHBondContact CD1-OE2 3.39Å; H689-E704 PolarHBondContact CE1-O 2.74Å; N702-E704 PolarHBondContact O-N 3.39Å; E704-N706 PolarHBondContact O-N 2.68Å; E704-N706 VanDerWaalsContact O-N 3.1Å; E704-T767 HydrophobicContact CG-CG2 3.9Å
705	Y	85.2	Confident	82.6	Confident	11 Å²	11	44.1 Å²	44.1	4%	0.043	24%	0.24	C	C	.	.			trans	-60.2	119.5	-174.7	-178.4	-94.5	0	0	0	111.5	H689 L692 I703 G707 K709 C762 P789 F805	H689-Y705 HydrophobicContact CB-CD2 3.98Å; H689-Y705 HydrophobicContact CB-CE2 3.8Å; H689-Y705 AromaticContact CG-CD2 4Å; H689-Y705 PolarHBondContact O-OH 3.11Å; L692-Y705 HydrophobicContact CD1-CD2 3.99Å; L692-Y705 HydrophobicContact CD1-CE2 3.94Å; I703-Y705 PolarHBondContact O-N 3.3Å; Y705-G707 VanDerWaalsContact OH-CA 3.23Å; Y705-G707 WeakPolarHBondContact OH-CA 3.11Å; Y705-K709 HydrophobicContact CE1-CB 4.2Å; Y705-K709 WeakPolarHBondContact OH-CB 3.2Å; Y705-K709 PolarHBondContact OH-N 3.08Å; Y705-C762 HydrophobicContact CD1-CB 4.16Å; Y705-C762 VanDerWaalsContact CD1-O 3.31Å; Y705-C762 WeakPolarHBondContact CD1-O 3.49Å; Y705-C762 HydrophobicContact CE1-CB 4.07Å; Y705-P789 HydrophobicContact CD1-CB 4.1Å; Y705-P789 HydrophobicContact CD1-CG 4.35Å; Y705-P789 HydrophobicContact CD2-CG 4.25Å; Y705-P789 HydrophobicContact CG-CB 4.01Å; Y705-P789 HydrophobicContact CG-CG 3.75Å; Y705-F805 HydrophobicContact CD1-CE2 4.4Å; Y705-F805 AromaticContact CD2-CE2 3.91Å; Y705-F805 HydrophobicContact CD2-CE2 3.91Å; Y705-F805 HydrophobicContact CD2-CZ 4.24Å; Y705-F805 HydrophobicContact CE1-CE2 4.11Å; Y705-F805 HydrophobicContact CE1-CZ 4.31Å; Y705-F805 AromaticContact CE2-CE2 3.59Å; Y705-F805 HydrophobicContact CE2-CE2 3.59Å; Y705-F805 AromaticContact CE2-CZ 3.47Å; Y705-F805 HydrophobicContact CE2-CZ 3.47Å; Y705-F805 VanDerWaalsContact CE2-CZ 3.47Å; Y705-F805 HydrophobicContact CG-CE2 4.31Å; Y705-F805 AromaticContact CZ-CE2 3.7Å; Y705-F805 AromaticContact CZ-CZ 3.52Å
706	N	83.8	Confident	82.9	Confident	10 Å²	10	46.8 Å²	46.8	5%	0.053	25%	0.254	C	S	.	.			trans	-131.8	56.5	176	-173.9	9.9	0	0	0	109.4	R634 I669 Y685 A686 H689 E704	R634-N706 PolarHBondContact NH1-OD1 3.41Å; I669-N706 PolarHBondContact O-ND2 2.88Å; Y685-N706 CarbonylContact C-O 3.5Å; Y685-N706 WeakPolarHBondContact CA-O 3.44Å; Y685-N706 WeakPolarHBondContact CB-O 3.32Å; A686-N706 HydrophobicContact CB-CB 4.09Å; A686-N706 PolarHBondContact N-O 2.87Å; H689-N706 PolarHBondContact ND1-N 3.29Å; E704-N706 PolarHBondContact O-N 2.68Å; E704-N706 VanDerWaalsContact O-N 3.1Å
707	G	86.8	Confident	83.3	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-113.9	-177.9	177.2	0	0	0	0	0	113	Y685 Y705 Q761	Y685-G707 WeakPolarHBondContact CD1-O 3.32Å; Y685-G707 VanDerWaalsContact CE1-C 3.49Å; Y685-G707 WeakPolarHBondContact CE1-O 3.47Å; Y705-G707 VanDerWaalsContact OH-CA 3.23Å; Y705-G707 WeakPolarHBondContact OH-CA 3.11Å; G707-Q761 WeakPolarHBondContact O-CG 3.45Å
708	P	88.3	Confident	84.2	Confident	39 Å²	39	46.2 Å²	46.2	25%	0.253	26%	0.26	S	S	.	.			trans	-85.2	-7.1	-173.7	35	-36.9	0	0	0	114.2	Y685 R690 N710	Y685-P708 HydrophobicContact CD1-CB 4.45Å; Y685-P708 HydrophobicContact CE1-CB 3.97Å; Y685-P708 HydrophobicContact CE2-CB 4.09Å; R690-P708 VanDerWaalsContact CA-CD 3.5Å; R690-P708 HydrophobicContact CB-CG 4.37Å; R690-P708 HydrophobicContact CG-CG 4.05Å; R690-P708 WeakPolarHBondContact O-CG 3.28Å; P708-N710 PolarHBondContact O-N 3.06Å; P708-N710 VanDerWaalsContact O-N 3.16Å
709	K	90.3	Very high	85.1	Confident	55 Å²	55	41.3 Å²	41.3	24%	0.239	23%	0.234	C	C	.	.			trans	-58.7	121.1	-175.5	-172	68.8	175.5	-85.2	0	109.9	Y705 T711 Q761 C762 C804 F805	Y705-K709 HydrophobicContact CE1-CB 4.2Å; Y705-K709 WeakPolarHBondContact OH-CB 3.2Å; Y705-K709 PolarHBondContact OH-N 3.08Å; K709-T711 VanDerWaalsContact CE-O 3.28Å; K709-T711 WeakPolarHBondContact CE-O 3.2Å; K709-T711 WeakPolarHBondContact CE-OG1 3.45Å; K709-Q761 CarbonylContact O-C 3.57Å; K709-Q761 WeakPolarHBondContact O-CA 3.31Å; K709-Q761 WeakPolarHBondContact O-CB 3.31Å; K709-C762 PolarHBondContact O-N 3.49Å; K709-C762 PolarHBondContact O-SG 3Å; K709-C804 HydrophobicContact CG-CB 4.08Å; K709-C804 PolarHBondContact NZ-O 2.86Å; K709-F805 HydrophobicContact CB-CE1 4.23Å; K709-F805 HydrophobicContact CB-CE2 4.18Å; K709-F805 HydrophobicContact CB-CZ 3.5Å; K709-F805 VanDerWaalsContact CB-CZ 3.5Å; K709-F805 HydrophobicContact CD-CE1 4.35Å; K709-F805 HydrophobicContact CD-CZ 4.41Å; K709-F805 HydrophobicContact CG-CE1 3.97Å; K709-F805 HydrophobicContact CG-CE2 4.18Å; K709-F805 HydrophobicContact CG-CZ 3.59Å
710	N	92.3	Very high	85.8	Confident	70 Å²	70	41.6 Å²	41.6	37%	0.374	24%	0.235	S	C	.	.			trans	-133.3	23.2	-177.2	67.4	-10.9	0	0	0	111.8	P708 C718 N760	P708-N710 PolarHBondContact O-N 3.06Å; P708-N710 VanDerWaalsContact O-N 3.16Å; N710-C718 VanDerWaalsContact O-CB 3.28Å; N710-C718 WeakPolarHBondContact O-CB 3.2Å; N710-C718 PolarHBondContact O-N 3.21Å; N710-C718 PolarHBondContact O-SG 2.78Å; N710-N760 WeakPolarHBondContact CB-O 3.39Å
711	T	91.6	Very high	86.3	Confident	48 Å²	48	41.4 Å²	41.4	29%	0.294	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-129.3	143.8	173.5	52.3	0	0	0	0	109.6	K709 L716 C718	K709-T711 VanDerWaalsContact CE-O 3.28Å; K709-T711 WeakPolarHBondContact CE-O 3.2Å; K709-T711 WeakPolarHBondContact CE-OG1 3.45Å; T711-L716 CarbonylContact C-O 3.57Å; T711-L716 VanDerWaalsContact CA-O 3.29Å; T711-L716 WeakPolarHBondContact CA-O 3.06Å; T711-C718 PolarHBondContact N-SG 2.82Å
712	S	88.9	Confident	87	Confident	3 Å²	3	42 Å²	42	2%	0.021	24%	0.24	C	C	.	.			trans	-71.2	170.1	173.8	76.2	0	0	0	0	111.4	H714 G715 L716 Q802 P803	S712-H714 PolarHBondContact O-N 2.58Å; S712-H714 PolarHBondContact OG-N 2.81Å; S712-G715 PolarHBondContact O-N 2.85Å; S712-L716 PolarHBondContact N-O 3.26Å; S712-L716 PolarHBondContact OG-N 3.12Å; S712-Q802 PolarHBondContact OG-OE1 2.87Å; S712-P803 WeakPolarHBondContact CA-O 3.39Å
713	V	87.1	Confident	87.8	Confident	44 Å²	44	42.8 Å²	42.8	27%	0.267	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-29.4	172.1	172.3	0	0	0	0	111.7	G715 P803 L806 F832	V713-G715 VanDerWaalsContact C-N 3.26Å; V713-G715 PolarHBondContact O-N 3.43Å; V713-P803 WeakPolarHBondContact CG2-O 3.33Å; V713-P803 PolarHBondContact N-O 3.22Å; V713-L806 HydrophobicContact CG1-CD1 4.24Å; V713-L806 HydrophobicContact CG1-CD2 4Å; V713-L806 HydrophobicContact CG1-CG 3.86Å; V713-L806 HydrophobicContact CG2-CG 4.29Å; V713-F832 HydrophobicContact CB-CE2 4.18Å; V713-F832 HydrophobicContact CG1-CD2 3.91Å; V713-F832 HydrophobicContact CG1-CE2 3.89Å; V713-F832 HydrophobicContact CG2-CE2 4.29Å
714	H	82.9	Confident	88.2	Confident	91 Å²	91	42.8 Å²	42.8	42%	0.421	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	4.4	177.2	-60	-63.7	0	0	0	113.7	S712 L716 F832	S712-H714 PolarHBondContact O-N 2.58Å; S712-H714 PolarHBondContact OG-N 2.81Å; H714-L716 VanDerWaalsContact C-N 3.29Å; H714-L716 PolarHBondContact O-N 3.16Å; H714-F832 AromaticContact CE1-CG 3.8Å; H714-F832 AromaticContact NE2-CG 3.78Å
715	G	86.7	Confident	88.5	Confident	53 Å²	53	41.4 Å²	41.4	55%	0.546	23%	0.23	S	C	.	.	S	Bend	trans	78.8	8.3	178.8	0	0	0	0	0	114.5	S712 V713	S712-G715 PolarHBondContact O-N 2.85Å; V713-G715 VanDerWaalsContact C-N 3.26Å; V713-G715 PolarHBondContact O-N 3.43Å
716	L	91.1	Very high	88.4	Confident	56 Å²	56	43.1 Å²	43.1	29%	0.293	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-77.3	140.3	176.4	-66.3	176.2	0	0	0	110.4	T711 S712 H714 V793	T711-L716 CarbonylContact C-O 3.57Å; T711-L716 VanDerWaalsContact CA-O 3.29Å; T711-L716 WeakPolarHBondContact CA-O 3.06Å; S712-L716 PolarHBondContact N-O 3.26Å; S712-L716 PolarHBondContact OG-N 3.12Å; H714-L716 VanDerWaalsContact C-N 3.29Å; H714-L716 PolarHBondContact O-N 3.16Å; L716-V793 HydrophobicContact CB-CB 4.02Å; L716-V793 HydrophobicContact CB-CG1 3.8Å; L716-V793 HydrophobicContact CB-CG2 4.44Å; L716-V793 HydrophobicContact CD1-CB 4.24Å; L716-V793 HydrophobicContact CD1-CG2 3.87Å
717	P	93.9	Very high	88.2	Confident	93 Å²	93	44.8 Å²	44.8	60%	0.604	25%	0.25	S	S	*	.	B	Isolated β-bridge	trans	-70.7	133.3	179.8	28.9	-34	0	0	0	110.9
718	C	95	Very high	87.8	Confident	10 Å²	10	45 Å²	45	7%	0.068	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-67.6	133.1	176.1	-64.1	0	0	0	0	111.1	N710 T711 N760 C791	N710-C718 VanDerWaalsContact O-CB 3.28Å; N710-C718 WeakPolarHBondContact O-CB 3.2Å; N710-C718 PolarHBondContact O-N 3.21Å; N710-C718 PolarHBondContact O-SG 2.78Å; T711-C718 PolarHBondContact N-SG 2.82Å; C718-N760 WeakPolarHBondContact CB-O 3.46Å; C718-C791 VanDerWaalsContact CA-SG 3.58Å; C718-C791 HydrophobicContact CB-CB 3.48Å; C718-C791 VanDerWaalsContact CB-CB 3.48Å; C718-C791 WeakPolarHBondContact CB-SG 3.45Å; C718-C791 WeakPolarHBondContact SG-CB 3.46Å; C718-C791 CovalentContact SG-SG 2.03Å; C718-C791 PolarHBondContact SG-SG 3.03Å
719	L	92.8	Very high	87.3	Confident	36 Å²	36	51.8 Å²	51.8	19%	0.188	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-66.8	151.6	172	-65.5	173.4	0	0	0	110.7	W721 Y723 V724 F792 N794 I799	L719-W721 PolarHBondContact O-N 3.14Å; L719-Y723 HydrophobicContact CB-CD1 4.47Å; L719-Y723 HydrophobicContact CD1-CD1 4.3Å; L719-Y723 HydrophobicContact CD1-CE1 4.27Å; L719-Y723 HydrophobicContact CD2-CD1 4.35Å; L719-Y723 HydrophobicContact CD2-CE1 4.43Å; L719-V724 HydrophobicContact CB-CG2 4.11Å; L719-F792 WeakPolarHBondContact CB-O 3.39Å; L719-F792 HydrophobicContact CD1-CB 4.25Å; L719-F792 WeakPolarHBondContact CG-O 3.42Å; L719-F792 PolarHBondContact N-O 2.86Å; L719-N794 HydrophobicContact CD2-CB 4.47Å; L719-I799 HydrophobicContact CD1-CD1 4.3Å; L719-I799 HydrophobicContact CD1-CG1 4.15Å; L719-I799 HydrophobicContact CD1-CG2 4.05Å
720	Q	91.2	Very high	86.7	Confident	58 Å²	58	55.5 Å²	55.5	27%	0.271	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-64.3	129.9	171.5	-68.7	-73.8	-33.6	0	0	109.4	T722 Y723 V724 H759 N760	Q720-T722 PolarHBondContact O-N 3.23Å; Q720-Y723 WeakPolarHBondContact O-CA 3.42Å; Q720-Y723 VanDerWaalsContact O-CB 3.32Å; Q720-Y723 WeakPolarHBondContact O-CB 3.32Å; Q720-Y723 PolarHBondContact O-N 2.53Å; Q720-V724 PolarHBondContact O-N 2.83Å; Q720-H759 PolarHBondContact OE1-O 3.42Å; Q720-N760 HydrophobicContact CG-CB 4.29Å; Q720-N760 PolarHBondContact NE2-ND2 2.98Å
721	W	88.3	Confident	85.7	Confident	1 Å²	1	54.3 Å²	54.3	0%	0.004	30%	0.3	C	S	.	.	H	α-helix	trans	-59	-33.2	178.6	-76.7	99.4	0	0	0	112.2	L719 Y723 V724 M725 F741 F753 H759 Q761 L763 I765 F792	L719-W721 PolarHBondContact O-N 3.14Å; W721-Y723 VanDerWaalsContact C-N 3.3Å; W721-Y723 PolarHBondContact O-N 3.5Å; W721-V724 WeakPolarHBondContact O-CB 3.42Å; W721-V724 PolarHBondContact O-N 2.96Å; W721-M725 HydrophobicContact CE3-CE 3.94Å; W721-M725 HydrophobicContact CZ3-CE 4.45Å; W721-M725 WeakPolarHBondContact O-CG 3.2Å; W721-M725 PolarHBondContact O-N 2.65Å; W721-F741 HydrophobicContact CE3-CE1 4.48Å; W721-F741 AromaticContact CZ3-CE1 3.88Å; W721-F741 HydrophobicContact CZ3-CE1 3.88Å; W721-F741 AromaticContact CZ3-CZ 3.98Å; W721-F741 HydrophobicContact CZ3-CZ 3.98Å; W721-F753 HydrophobicContact CB-CD1 4.11Å; W721-F753 HydrophobicContact CB-CE1 3.32Å; W721-F753 HydrophobicContact CB-CE2 4.3Å; W721-F753 HydrophobicContact CB-CZ 3.43Å; W721-F753 VanDerWaalsContact CB-CZ 3.43Å; W721-F753 HydrophobicContact CD2-CE2 4.48Å; W721-F753 HydrophobicContact CD2-CZ 4.01Å; W721-F753 HydrophobicContact CE3-CE2 4.37Å; W721-F753 HydrophobicContact CE3-CZ 4.33Å; W721-F753 AromaticContact CG-CE1 3.99Å; W721-F753 HydrophobicContact CG-CE1 3.99Å; W721-F753 HydrophobicContact CG-CE2 4.49Å; W721-F753 AromaticContact CG-CZ 3.63Å; W721-F753 HydrophobicContact CG-CZ 3.63Å; W721-H759 WeakPolarHBondContact CB-O 3.24Å; W721-H759 AromaticContact CD1-CD2 3.2Å; W721-H759 AromaticContact CD1-CG 3.88Å; W721-H759 AromaticContact CG-CD2 3.99Å; W721-H759 PolarHBondContact N-O 2.77Å; W721-H759 AromaticContact NE1-CD2 3.61Å; W721-Q761 PolarHBondContact NE1-O 2.78Å; W721-L763 HydrophobicContact CH2-CB 4.33Å; W721-L763 HydrophobicContact CZ2-CB 3.54Å; W721-L763 HydrophobicContact CZ2-CD2 4.29Å; W721-I765 HydrophobicContact CH2-CD1 3.88Å; W721-I765 HydrophobicContact CH2-CG1 4.15Å; W721-I765 HydrophobicContact CZ3-CD1 4.22Å; W721-F792 AromaticContact CH2-CD2 3.91Å; W721-F792 HydrophobicContact CH2-CD2 3.91Å; W721-F792 AromaticContact CH2-CE2 3.83Å; W721-F792 HydrophobicContact CH2-CE2 3.83Å; W721-F792 AromaticContact CZ3-CD2 3.81Å; W721-F792 HydrophobicContact CZ3-CD2 3.81Å; W721-F792 AromaticContact CZ3-CE2 3.69Å; W721-F792 HydrophobicContact CZ3-CE2 3.69Å
722	T	84.9	Confident	84.7	Confident	52 Å²	52	58.2 Å²	58.2	32%	0.319	32%	0.315	S	S	.	.	H	α-helix	trans	-60.3	-37.8	172.8	42.8	0	0	0	0	113.2	Q720 M725 S726 I757	Q720-T722 PolarHBondContact O-N 3.23Å; T722-M725 PolarHBondContact O-N 3.28Å; T722-S726 PolarHBondContact O-N 3.22Å; T722-I757 WeakPolarHBondContact CG2-O 2.92Å
723	Y	87.5	Confident	83.5	Confident	115 Å²	115	59 Å²	59	45%	0.451	32%	0.318	S	S	.	.	H	α-helix	trans	-70	-39.7	174.2	176.5	-103	0	0	0	111.7	L719 Q720 W721 M725 S726 F727 I799	L719-Y723 HydrophobicContact CB-CD1 4.47Å; L719-Y723 HydrophobicContact CD1-CD1 4.3Å; L719-Y723 HydrophobicContact CD1-CE1 4.27Å; L719-Y723 HydrophobicContact CD2-CD1 4.35Å; L719-Y723 HydrophobicContact CD2-CE1 4.43Å; Q720-Y723 WeakPolarHBondContact O-CA 3.42Å; Q720-Y723 VanDerWaalsContact O-CB 3.32Å; Q720-Y723 WeakPolarHBondContact O-CB 3.32Å; Q720-Y723 PolarHBondContact O-N 2.53Å; W721-Y723 VanDerWaalsContact C-N 3.3Å; W721-Y723 PolarHBondContact O-N 3.5Å; Y723-M725 VanDerWaalsContact C-N 3.29Å; Y723-M725 PolarHBondContact O-N 3.42Å; Y723-S726 WeakPolarHBondContact CA-OG 3.38Å; Y723-S726 PolarHBondContact O-N 3.42Å; Y723-S726 PolarHBondContact O-OG 2.92Å; Y723-F727 PolarHBondContact O-N 3.26Å; Y723-I799 HydrophobicContact CE1-CD1 3.73Å
724	V	86.1	Confident	82.5	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.006	33%	0.332	C	S	.	.	H	α-helix	trans	-59.4	-43.2	172.8	-180	0	0	0	0	110.5	L719 Q720 W721 S726 F727 L728 F733 F792	L719-V724 HydrophobicContact CB-CG2 4.11Å; Q720-V724 PolarHBondContact O-N 2.83Å; W721-V724 WeakPolarHBondContact O-CB 3.42Å; W721-V724 PolarHBondContact O-N 2.96Å; V724-S726 PolarHBondContact O-N 2.91Å; V724-F727 PolarHBondContact O-N 2.01Å; V724-L728 HydrophobicContact CG1-CD1 4.2Å; V724-L728 WeakPolarHBondContact O-CD1 3.27Å; V724-L728 PolarHBondContact O-N 2.92Å; V724-F733 HydrophobicContact CG1-CE2 4.03Å; V724-F733 HydrophobicContact CG1-CZ 3.85Å; V724-F792 HydrophobicContact CG1-CD2 3.78Å; V724-F792 HydrophobicContact CG1-CE2 4.14Å; V724-F792 HydrophobicContact CG1-CG 4.03Å; V724-F792 HydrophobicContact CG2-CB 3.73Å; V724-F792 HydrophobicContact CG2-CD2 4.1Å; V724-F792 HydrophobicContact CG2-CG 4.06Å
725	M	84.1	Confident	81.5	Confident	24 Å²	24	65.8 Å²	65.8	12%	0.118	34%	0.344	C	S	.	.	H	α-helix	trans	-67.2	-31.7	177.4	-63.7	-63.4	144.2	0	0	113.3	W721 T722 Y723 L728 K729 F741 L749 F753	W721-M725 HydrophobicContact CE3-CE 3.94Å; W721-M725 HydrophobicContact CZ3-CE 4.45Å; W721-M725 WeakPolarHBondContact O-CG 3.2Å; W721-M725 PolarHBondContact O-N 2.65Å; T722-M725 PolarHBondContact O-N 3.28Å; Y723-M725 VanDerWaalsContact C-N 3.29Å; Y723-M725 PolarHBondContact O-N 3.42Å; M725-L728 HydrophobicContact CE-CD1 4.23Å; M725-L728 HydrophobicContact SD-CD1 3.85Å; M725-K729 WeakPolarHBondContact O-CG 3.39Å; M725-K729 PolarHBondContact O-N 2.72Å; M725-F741 HydrophobicContact CE-CD1 3.33Å; M725-F741 HydrophobicContact CE-CE1 3.32Å; M725-F741 HydrophobicContact CE-CG 4.4Å; M725-F741 HydrophobicContact CE-CZ 4.4Å; M725-F741 HydrophobicContact SD-CD1 3.98Å; M725-L749 HydrophobicContact CE-CD2 4.18Å; M725-F753 HydrophobicContact CE-CD2 3.57Å; M725-F753 HydrophobicContact CE-CE2 3.86Å; M725-F753 HydrophobicContact CE-CG 4.26Å; M725-F753 HydrophobicContact CG-CB 3.82Å; M725-F753 HydrophobicContact CG-CD2 4.2Å; M725-F753 HydrophobicContact CG-CG 3.97Å; M725-F753 HydrophobicContact SD-CB 4.32Å; M725-F753 HydrophobicContact SD-CD2 4.14Å; M725-F753 HydrophobicContact SD-CG 4.43Å
726	S	82.9	Confident	80.4	Confident	47 Å²	47	65.3 Å²	65.3	33%	0.329	33%	0.328	S	S	.	.	H	α-helix	trans	-70.3	-42	172.2	53.4	0	0	0	0	111.6	T722 Y723 V724 L728 K729 E730	T722-S726 PolarHBondContact O-N 3.22Å; Y723-S726 WeakPolarHBondContact CA-OG 3.38Å; Y723-S726 PolarHBondContact O-N 3.42Å; Y723-S726 PolarHBondContact O-OG 2.92Å; V724-S726 PolarHBondContact O-N 2.91Å; S726-L728 VanDerWaalsContact C-N 3.28Å; S726-L728 PolarHBondContact O-N 2.46Å; S726-K729 WeakPolarHBondContact O-CB 3.17Å; S726-K729 PolarHBondContact O-N 3.05Å; S726-K729 VanDerWaalsContact O-N 3.07Å; S726-E730 PolarHBondContact O-N 3.12Å
727	F	80.2	Confident	79.4	Confident	44 Å²	44	63.5 Å²	63.5	19%	0.193	32%	0.317	C	S	.	.	H	α-helix	trans	-63.4	-33.8	177	-167	-96	0	0	0	112.5	Y723 V724 E730 Q732 F733 I799	Y723-F727 PolarHBondContact O-N 3.26Å; V724-F727 PolarHBondContact O-N 2.01Å; F727-E730 PolarHBondContact O-N 2.95Å; F727-Q732 HydrophobicContact CD1-CB 3.83Å; F727-Q732 HydrophobicContact CD2-CB 4.39Å; F727-Q732 HydrophobicContact CE1-CB 3.3Å; F727-Q732 HydrophobicContact CE1-CG 4.39Å; F727-Q732 HydrophobicContact CE2-CB 3.91Å; F727-Q732 HydrophobicContact CE2-CG 4.16Å; F727-Q732 HydrophobicContact CG-CB 4.37Å; F727-Q732 HydrophobicContact CZ-CB 3.35Å; F727-Q732 HydrophobicContact CZ-CG 4.05Å; F727-F733 HydrophobicContact CB-CE2 4.29Å; F727-F733 AromaticContact CD1-CD2 3.51Å; F727-F733 HydrophobicContact CD1-CD2 3.51Å; F727-F733 AromaticContact CD1-CE2 3.46Å; F727-F733 HydrophobicContact CD1-CE2 3.46Å; F727-F733 VanDerWaalsContact CD1-CE2 3.46Å; F727-F733 HydrophobicContact CD1-CZ 4.38Å; F727-F733 HydrophobicContact CE1-CD2 4.16Å; F727-F733 HydrophobicContact CE1-CE2 4.26Å; F727-F733 HydrophobicContact CG-CE2 4.34Å; F727-I799 HydrophobicContact CB-CD1 4.09Å; F727-I799 HydrophobicContact CD1-CD1 3.76Å; F727-I799 HydrophobicContact CD2-CD1 3.56Å; F727-I799 HydrophobicContact CE1-CB 4.25Å; F727-I799 HydrophobicContact CE1-CD1 3.95Å; F727-I799 HydrophobicContact CE1-CG1 4.38Å; F727-I799 HydrophobicContact CE2-CD1 3.77Å; F727-I799 HydrophobicContact CE2-CG1 4.49Å; F727-I799 HydrophobicContact CG-CD1 3.53Å; F727-I799 HydrophobicContact CZ-CD1 3.95Å; F727-I799 HydrophobicContact CZ-CG1 4.32Å
728	L	77.2	Confident	78.4	Confident	6 Å²	6	63.1 Å²	63.1	3%	0.031	31%	0.306	C	S	.	.	H	α-helix	trans	-58.6	-46.3	169.4	-85.2	151.1	0	0	0	112.7	V724 M725 S726 E730 G731 F733 F741	V724-L728 HydrophobicContact CG1-CD1 4.2Å; V724-L728 WeakPolarHBondContact O-CD1 3.27Å; V724-L728 PolarHBondContact O-N 2.92Å; M725-L728 HydrophobicContact CE-CD1 4.23Å; M725-L728 HydrophobicContact SD-CD1 3.85Å; S726-L728 VanDerWaalsContact C-N 3.28Å; S726-L728 PolarHBondContact O-N 2.46Å; L728-E730 PolarHBondContact O-N 3.26Å; L728-G731 PolarHBondContact O-N 3.29Å; L728-F733 HydrophobicContact CB-CD2 4.19Å; L728-F733 HydrophobicContact CD1-CD2 4.39Å; L728-F733 HydrophobicContact CD1-CE2 4.25Å; L728-F733 HydrophobicContact CD2-CB 3.71Å; L728-F733 HydrophobicContact CD2-CD1 4.41Å; L728-F733 HydrophobicContact CD2-CD2 3.51Å; L728-F733 HydrophobicContact CD2-CE2 4.18Å; L728-F733 HydrophobicContact CD2-CG 3.62Å; L728-F733 HydrophobicContact CG-CB 4.49Å; L728-F733 HydrophobicContact CG-CD2 3.36Å; L728-F733 HydrophobicContact CG-CE2 3.63Å; L728-F733 HydrophobicContact CG-CG 4.01Å; L728-F741 HydrophobicContact CD1-CB 3.57Å; L728-F741 HydrophobicContact CD1-CD1 3.75Å; L728-F741 HydrophobicContact CD1-CD2 3.4Å; L728-F741 HydrophobicContact CD1-CE1 4.21Å; L728-F741 HydrophobicContact CD1-CE2 3.9Å; L728-F741 HydrophobicContact CD1-CG 3.31Å; L728-F741 HydrophobicContact CD1-CZ 4.3Å; L728-F741 HydrophobicContact CD2-CB 3.8Å; L728-F741 HydrophobicContact CD2-CD2 3.59Å; L728-F741 HydrophobicContact CD2-CE2 4.45Å; L728-F741 HydrophobicContact CD2-CG 4Å; L728-F741 HydrophobicContact CG-CB 4.26Å; L728-F741 HydrophobicContact CG-CD2 4.08Å; L728-F741 HydrophobicContact CG-CG 4.28Å
729	K	77.9	Confident	77.1	Confident	181 Å²	181	66 Å²	66	79%	0.787	32%	0.315	S	S	*	.	H	α-helix	trans	-65.2	-27.7	-179.5	-71	174.6	-178.1	-179.7	0	113	M725 S726 G731	M725-K729 WeakPolarHBondContact O-CG 3.39Å; M725-K729 PolarHBondContact O-N 2.72Å; S726-K729 WeakPolarHBondContact O-CB 3.17Å; S726-K729 PolarHBondContact O-N 3.05Å; S726-K729 VanDerWaalsContact O-N 3.07Å; K729-G731 PolarHBondContact O-N 2.92Å
730	E	79	Confident	76	Confident	132 Å²	132	64.4 Å²	64.4	62%	0.617	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-5.7	174.4	-68.1	172.7	-167.4	0	0	112.9	S726 F727 L728 Q732	S726-E730 PolarHBondContact O-N 3.12Å; F727-E730 PolarHBondContact O-N 2.95Å; L728-E730 PolarHBondContact O-N 3.26Å; E730-Q732 VanDerWaalsContact C-N 3.32Å; E730-Q732 HydrophobicContact CB-CG 4.15Å; E730-Q732 PolarHBondContact O-N 3.48Å
731	G	70	Confident	75.2	Confident	46 Å²	46	62 Å²	62	47%	0.474	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	17.3	176	0	0	0	0	0	114.3	L728 K729	L728-G731 PolarHBondContact O-N 3.29Å; K729-G731 PolarHBondContact O-N 2.92Å
732	Q	70.4	Confident	74.4	Confident	129 Å²	129	66.4 Å²	66.4	60%	0.603	32%	0.316	S	S	*	.			trans	-85.8	-7.1	-176.8	-63.4	-64.6	-46.6	0	0	113.7	F727 E730	F727-Q732 HydrophobicContact CD1-CB 3.83Å; F727-Q732 HydrophobicContact CD2-CB 4.39Å; F727-Q732 HydrophobicContact CE1-CB 3.3Å; F727-Q732 HydrophobicContact CE1-CG 4.39Å; F727-Q732 HydrophobicContact CE2-CB 3.91Å; F727-Q732 HydrophobicContact CE2-CG 4.16Å; F727-Q732 HydrophobicContact CG-CB 4.37Å; F727-Q732 HydrophobicContact CZ-CB 3.35Å; F727-Q732 HydrophobicContact CZ-CG 4.05Å; E730-Q732 VanDerWaalsContact C-N 3.32Å; E730-Q732 HydrophobicContact CB-CG 4.15Å; E730-Q732 PolarHBondContact O-N 3.48Å
733	F	65.3	Low	73.8	Confident	21 Å²	21	65.2 Å²	65.2	9%	0.092	31%	0.308	C	S	.	.	S	Bend	trans	-82.9	147.9	176.8	-96.3	-84.1	0	0	0	112.5	V724 F727 L728 W737 F792 I799	V724-F733 HydrophobicContact CG1-CE2 4.03Å; V724-F733 HydrophobicContact CG1-CZ 3.85Å; F727-F733 HydrophobicContact CB-CE2 4.29Å; F727-F733 AromaticContact CD1-CD2 3.51Å; F727-F733 HydrophobicContact CD1-CD2 3.51Å; F727-F733 AromaticContact CD1-CE2 3.46Å; F727-F733 HydrophobicContact CD1-CE2 3.46Å; F727-F733 VanDerWaalsContact CD1-CE2 3.46Å; F727-F733 HydrophobicContact CD1-CZ 4.38Å; F727-F733 HydrophobicContact CE1-CD2 4.16Å; F727-F733 HydrophobicContact CE1-CE2 4.26Å; F727-F733 HydrophobicContact CG-CE2 4.34Å; L728-F733 HydrophobicContact CB-CD2 4.19Å; L728-F733 HydrophobicContact CD1-CD2 4.39Å; L728-F733 HydrophobicContact CD1-CE2 4.25Å; L728-F733 HydrophobicContact CD2-CB 3.71Å; L728-F733 HydrophobicContact CD2-CD1 4.41Å; L728-F733 HydrophobicContact CD2-CD2 3.51Å; L728-F733 HydrophobicContact CD2-CE2 4.18Å; L728-F733 HydrophobicContact CD2-CG 3.62Å; L728-F733 HydrophobicContact CG-CB 4.49Å; L728-F733 HydrophobicContact CG-CD2 3.36Å; L728-F733 HydrophobicContact CG-CE2 3.63Å; L728-F733 HydrophobicContact CG-CG 4.01Å; F733-W737 HydrophobicContact CB-CB 4.14Å; F733-W737 HydrophobicContact CD1-CB 3.43Å; F733-W737 VanDerWaalsContact CD1-CB 3.43Å; F733-W737 AromaticContact CD1-CD1 3.82Å; F733-W737 AromaticContact CD1-CG 3.7Å; F733-W737 HydrophobicContact CD1-CG 3.7Å; F733-W737 HydrophobicContact CE1-CB 4.15Å; F733-W737 HydrophobicContact CE1-CG 4.06Å; F733-W737 HydrophobicContact CG-CB 4.08Å; F733-F792 HydrophobicContact CE1-CD1 4.05Å; F733-F792 AromaticContact CE1-CE1 3.46Å; F733-F792 HydrophobicContact CE1-CE1 3.46Å; F733-F792 VanDerWaalsContact CE1-CE1 3.46Å; F733-F792 HydrophobicContact CE1-CZ 4.07Å; F733-F792 AromaticContact CZ-CD1 3.91Å; F733-F792 HydrophobicContact CZ-CD1 3.91Å; F733-F792 AromaticContact CZ-CE1 3.72Å; F733-F792 HydrophobicContact CZ-CE1 3.72Å; F733-F792 HydrophobicContact CZ-CZ 4.28Å; F733-I799 HydrophobicContact CZ-CG2 3.9Å
734	N	65.3	Low	72.5	Confident	103 Å²	103	63.5 Å²	63.5	55%	0.551	31%	0.31	S	S	*	.			trans	-56.2	146.5	169	-171.4	-7	0	0	0	110.6	Q736 W737 K738	N734-Q736 PolarHBondContact O-N 3.5Å; N734-W737 PolarHBondContact O-N 3.16Å; N734-K738 PolarHBondContact O-N 3.02Å; N734-K738 VanDerWaalsContact O-N 3.09Å
735	Y	62.5	Low	71.5	Confident	173 Å²	173	72.6 Å²	72.6	68%	0.678	34%	0.344	S	S	*	.	H	α-helix	trans	-47.6	-36.4	-178.1	179.3	-95	0	0	0	113.8	K738 W739	Y735-K738 WeakPolarHBondContact O-CB 3.1Å; Y735-K738 PolarHBondContact O-N 3.32Å; Y735-W739 PolarHBondContact O-N 2.86Å
736	Q	63.2	Low	70.5	Confident	44 Å²	44	71.8 Å²	71.8	21%	0.206	34%	0.341	C	S	.	.	H	α-helix	trans	-62.7	-50	178	-69	177.1	-16.2	0	0	112.5	N734 K738 W739 I740 P779	N734-Q736 PolarHBondContact O-N 3.5Å; Q736-K738 VanDerWaalsContact C-N 3.31Å; Q736-K738 PolarHBondContact O-N 2.87Å; Q736-W739 PolarHBondContact O-N 3.42Å; Q736-I740 WeakPolarHBondContact O-CG1 3.09Å; Q736-I740 PolarHBondContact O-N 3.46Å; Q736-P779 PolarHBondContact NE2-O 3.25Å
737	W	70.6	Confident	69.9	Low	18 Å²	18	69.7 Å²	69.7	7%	0.068	33%	0.326	C	S	.	.	H	α-helix	trans	-64.7	-39.8	177	-74.8	116.1	0	0	0	111.1	F733 N734 W739 I740 F741 I765 M781 L786 I790 F792 P801	F733-W737 HydrophobicContact CB-CB 4.14Å; F733-W737 HydrophobicContact CD1-CB 3.43Å; F733-W737 VanDerWaalsContact CD1-CB 3.43Å; F733-W737 AromaticContact CD1-CD1 3.82Å; F733-W737 AromaticContact CD1-CG 3.7Å; F733-W737 HydrophobicContact CD1-CG 3.7Å; F733-W737 HydrophobicContact CE1-CB 4.15Å; F733-W737 HydrophobicContact CE1-CG 4.06Å; F733-W737 HydrophobicContact CG-CB 4.08Å; N734-W737 PolarHBondContact O-N 3.16Å; W737-W739 VanDerWaalsContact C-N 3.28Å; W737-W739 PolarHBondContact O-N 3.03Å; W737-I740 HydrophobicContact CE3-CD1 3.81Å; W737-I740 HydrophobicContact CZ3-CD1 3.98Å; W737-I740 PolarHBondContact O-N 2.9Å; W737-I740 VanDerWaalsContact O-N 3.15Å; W737-F741 HydrophobicContact CB-CD2 4.07Å; W737-F741 HydrophobicContact CB-CE2 4.15Å; W737-F741 AromaticContact CD2-CE2 3.95Å; W737-F741 HydrophobicContact CD2-CE2 3.95Å; W737-F741 AromaticContact CE3-CD2 3.9Å; W737-F741 HydrophobicContact CE3-CD2 3.9Å; W737-F741 AromaticContact CE3-CE2 3.19Å; W737-F741 HydrophobicContact CE3-CE2 3.19Å; W737-F741 AromaticContact CE3-CZ 3.9Å; W737-F741 HydrophobicContact CE3-CZ 3.9Å; W737-F741 HydrophobicContact CG-CE2 4.37Å; W737-F741 AromaticContact CZ3-CE2 3.81Å; W737-F741 HydrophobicContact CZ3-CE2 3.81Å; W737-F741 HydrophobicContact CZ3-CZ 4.05Å; W737-F741 WeakPolarHBondContact O-CD2 3.23Å; W737-F741 PolarHBondContact O-N 2.77Å; W737-I765 HydrophobicContact CH2-CD1 4.2Å; W737-I765 HydrophobicContact CZ3-CD1 3.71Å; W737-M781 HydrophobicContact CZ2-CE 3.88Å; W737-L786 HydrophobicContact CH2-CD2 3.53Å; W737-L786 HydrophobicContact CZ2-CD2 4.06Å; W737-I790 HydrophobicContact CH2-CD1 3.75Å; W737-I790 HydrophobicContact CZ3-CD1 4.49Å; W737-F792 HydrophobicContact CD2-CZ 4.12Å; W737-F792 HydrophobicContact CE3-CZ 4.07Å; W737-F792 AromaticContact CH2-CZ 3.93Å; W737-F792 HydrophobicContact CH2-CZ 3.93Å; W737-F792 HydrophobicContact CZ2-CE1 4.47Å; W737-F792 HydrophobicContact CZ2-CZ 4.08Å; W737-F792 AromaticContact CZ3-CZ 3.95Å; W737-F792 HydrophobicContact CZ3-CZ 3.95Å; W737-P801 HydrophobicContact CH2-CB 4.19Å; W737-P801 HydrophobicContact CH2-CG 4.47Å; W737-P801 HydrophobicContact CZ2-CB 3.7Å; W737-P801 HydrophobicContact CZ2-CG 3.52Å
738	K	71.2	Confident	69.6	Low	84 Å²	84	68.9 Å²	68.9	37%	0.365	33%	0.328	S	S	.	.	H	α-helix	trans	-53.3	-46.4	174.3	-169.1	177.1	-178.4	172.3	0	111.8	N734 Y735 Q736 F741 E742	N734-K738 PolarHBondContact O-N 3.02Å; N734-K738 VanDerWaalsContact O-N 3.09Å; Y735-K738 WeakPolarHBondContact O-CB 3.1Å; Y735-K738 PolarHBondContact O-N 3.32Å; Q736-K738 VanDerWaalsContact C-N 3.31Å; Q736-K738 PolarHBondContact O-N 2.87Å; K738-F741 PolarHBondContact O-N 3.47Å; K738-E742 VanDerWaalsContact CE-CD 3.44Å; K738-E742 WeakPolarHBondContact CE-OE1 3.27Å; K738-E742 WeakPolarHBondContact CE-OE2 3.32Å; K738-E742 HydrophobicContact CG-CG 4.11Å; K738-E742 VanDerWaalsContact CG-OE2 3.25Å; K738-E742 WeakPolarHBondContact CG-OE2 3.36Å; K738-E742 VanDerWaalsContact O-CB 3.23Å; K738-E742 WeakPolarHBondContact O-CB 3.46Å; K738-E742 WeakPolarHBondContact O-CG 3.21Å; K738-E742 PolarHBondContact O-N 2.91Å
739	W	67.8	Low	69.6	Low	70 Å²	70	68.6 Å²	68.6	27%	0.265	33%	0.327	S	S	.	.	H	α-helix	trans	-63	-44.2	177.3	-177.7	68.7	0	0	0	113	Y735 Q736 W737 F741 D743 A746 F778	Y735-W739 PolarHBondContact O-N 2.86Å; Q736-W739 PolarHBondContact O-N 3.42Å; W737-W739 VanDerWaalsContact C-N 3.28Å; W737-W739 PolarHBondContact O-N 3.03Å; W739-F741 PolarHBondContact O-N 3.17Å; W739-D743 VanDerWaalsContact O-CB 3.27Å; W739-D743 WeakPolarHBondContact O-CB 3.33Å; W739-D743 PolarHBondContact O-N 3.46Å; W739-A746 HydrophobicContact CD2-CB 4.33Å; W739-A746 HydrophobicContact CE3-CB 4.47Å; W739-A746 HydrophobicContact CH2-CB 3.85Å; W739-A746 HydrophobicContact CZ2-CB 3.68Å; W739-A746 HydrophobicContact CZ3-CB 4.22Å; W739-F778 HydrophobicContact CD2-CE1 4.01Å; W739-F778 HydrophobicContact CD2-CE2 4.41Å; W739-F778 AromaticContact CD2-CZ 3.57Å; W739-F778 HydrophobicContact CD2-CZ 3.57Å; W739-F778 AromaticContact CE2-CZ 3.81Å; W739-F778 HydrophobicContact CE3-CD1 4.49Å; W739-F778 HydrophobicContact CE3-CD2 4.47Å; W739-F778 AromaticContact CE3-CE1 3.61Å; W739-F778 HydrophobicContact CE3-CE1 3.61Å; W739-F778 AromaticContact CE3-CE2 3.62Å; W739-F778 HydrophobicContact CE3-CE2 3.62Å; W739-F778 AromaticContact CE3-CZ 3.11Å; W739-F778 HydrophobicContact CE3-CZ 3.11Å; W739-F778 HydrophobicContact CH2-CD2 4.39Å; W739-F778 HydrophobicContact CH2-CE1 4.45Å; W739-F778 AromaticContact CH2-CE2 3.19Å; W739-F778 HydrophobicContact CH2-CE2 3.19Å; W739-F778 AromaticContact CH2-CZ 3.24Å; W739-F778 HydrophobicContact CH2-CZ 3.24Å; W739-F778 HydrophobicContact CZ2-CE2 4.04Å; W739-F778 AromaticContact CZ2-CZ 3.66Å; W739-F778 HydrophobicContact CZ2-CZ 3.66Å; W739-F778 AromaticContact CZ3-CD2 3.88Å; W739-F778 HydrophobicContact CZ3-CD2 3.88Å; W739-F778 AromaticContact CZ3-CE1 3.89Å; W739-F778 HydrophobicContact CZ3-CE1 3.89Å; W739-F778 AromaticContact CZ3-CE2 2.96Å; W739-F778 HydrophobicContact CZ3-CE2 2.96Å; W739-F778 AromaticContact CZ3-CZ 2.97Å; W739-F778 HydrophobicContact CZ3-CZ 2.97Å
740	I	70.1	Confident	69.4	Low	3 Å²	3	61.5 Å²	61.5	2%	0.015	30%	0.299	C	S	.	.	H	α-helix	trans	-62.9	-42.9	179.2	-65	166.3	0	0	0	111.7	Q736 W737 S747 I765 L769 Y775	Q736-I740 WeakPolarHBondContact O-CG1 3.09Å; Q736-I740 PolarHBondContact O-N 3.46Å; W737-I740 HydrophobicContact CE3-CD1 3.81Å; W737-I740 HydrophobicContact CZ3-CD1 3.98Å; W737-I740 PolarHBondContact O-N 2.9Å; W737-I740 VanDerWaalsContact O-N 3.15Å; I740-S747 WeakPolarHBondContact O-CB 3.01Å; I740-I765 HydrophobicContact CG2-CG2 3.83Å; I740-L769 HydrophobicContact CG2-CD2 4.01Å; I740-Y775 HydrophobicContact CD1-CE2 3.59Å; I740-Y775 HydrophobicContact CG1-CE2 4.08Å
741	F	74.8	Confident	69.3	Low	7 Å²	7	60.6 Å²	60.6	3%	0.031	29%	0.294	C	S	.	.	H	α-helix	trans	-90.1	-28.8	-172.1	-72.2	-71.4	0	0	0	114.4	W721 M725 L728 W737 K738 W739 L749 P750 I765 F792	W721-F741 HydrophobicContact CE3-CE1 4.48Å; W721-F741 AromaticContact CZ3-CE1 3.88Å; W721-F741 HydrophobicContact CZ3-CE1 3.88Å; W721-F741 AromaticContact CZ3-CZ 3.98Å; W721-F741 HydrophobicContact CZ3-CZ 3.98Å; M725-F741 HydrophobicContact CE-CD1 3.33Å; M725-F741 HydrophobicContact CE-CE1 3.32Å; M725-F741 HydrophobicContact CE-CG 4.4Å; M725-F741 HydrophobicContact CE-CZ 4.4Å; M725-F741 HydrophobicContact SD-CD1 3.98Å; L728-F741 HydrophobicContact CD1-CB 3.57Å; L728-F741 HydrophobicContact CD1-CD1 3.75Å; L728-F741 HydrophobicContact CD1-CD2 3.4Å; L728-F741 HydrophobicContact CD1-CE1 4.21Å; L728-F741 HydrophobicContact CD1-CE2 3.9Å; L728-F741 HydrophobicContact CD1-CG 3.31Å; L728-F741 HydrophobicContact CD1-CZ 4.3Å; L728-F741 HydrophobicContact CD2-CB 3.8Å; L728-F741 HydrophobicContact CD2-CD2 3.59Å; L728-F741 HydrophobicContact CD2-CE2 4.45Å; L728-F741 HydrophobicContact CD2-CG 4Å; L728-F741 HydrophobicContact CG-CB 4.26Å; L728-F741 HydrophobicContact CG-CD2 4.08Å; L728-F741 HydrophobicContact CG-CG 4.28Å; W737-F741 HydrophobicContact CB-CD2 4.07Å; W737-F741 HydrophobicContact CB-CE2 4.15Å; W737-F741 AromaticContact CD2-CE2 3.95Å; W737-F741 HydrophobicContact CD2-CE2 3.95Å; W737-F741 AromaticContact CE3-CD2 3.9Å; W737-F741 HydrophobicContact CE3-CD2 3.9Å; W737-F741 AromaticContact CE3-CE2 3.19Å; W737-F741 HydrophobicContact CE3-CE2 3.19Å; W737-F741 AromaticContact CE3-CZ 3.9Å; W737-F741 HydrophobicContact CE3-CZ 3.9Å; W737-F741 HydrophobicContact CG-CE2 4.37Å; W737-F741 AromaticContact CZ3-CE2 3.81Å; W737-F741 HydrophobicContact CZ3-CE2 3.81Å; W737-F741 HydrophobicContact CZ3-CZ 4.05Å; W737-F741 WeakPolarHBondContact O-CD2 3.23Å; W737-F741 PolarHBondContact O-N 2.77Å; K738-F741 PolarHBondContact O-N 3.47Å; W739-F741 PolarHBondContact O-N 3.17Å; F741-L749 HydrophobicContact CD1-CB 4.33Å; F741-L749 HydrophobicContact CD1-CD2 3.44Å; F741-L749 VanDerWaalsContact CD1-CD2 3.44Å; F741-L749 HydrophobicContact CE1-CD2 3.18Å; F741-L749 HydrophobicContact CZ-CD2 4.31Å; F741-P750 WeakPolarHBondContact O-CB 3.3Å; F741-P750 VanDerWaalsContact O-CD 3.31Å; F741-P750 WeakPolarHBondContact O-CD 3.42Å; F741-P750 VanDerWaalsContact O-CG 3.22Å; F741-P750 WeakPolarHBondContact O-CG 3.49Å; F741-I765 HydrophobicContact CE1-CD1 4.28Å; F741-I765 HydrophobicContact CZ-CD1 3.94Å; F741-F792 HydrophobicContact CE2-CE2 4.24Å; F741-F792 AromaticContact CE2-CZ 3.95Å; F741-F792 HydrophobicContact CE2-CZ 3.95Å; F741-F792 AromaticContact CZ-CE2 3.68Å; F741-F792 HydrophobicContact CZ-CE2 3.68Å; F741-F792 AromaticContact CZ-CZ 3.86Å; F741-F792 HydrophobicContact CZ-CZ 3.86Å
742	E	72.1	Confident	69.6	Low	95 Å²	95	59 Å²	59	44%	0.444	28%	0.275	S	S	.	.	H	α-helix	trans	-94.5	-32.9	-178.1	-64	-176.5	171.3	0	0	113.1	K738 T744	K738-E742 VanDerWaalsContact CE-CD 3.44Å; K738-E742 WeakPolarHBondContact CE-OE1 3.27Å; K738-E742 WeakPolarHBondContact CE-OE2 3.32Å; K738-E742 HydrophobicContact CG-CG 4.11Å; K738-E742 VanDerWaalsContact CG-OE2 3.25Å; K738-E742 WeakPolarHBondContact CG-OE2 3.36Å; K738-E742 VanDerWaalsContact O-CB 3.23Å; K738-E742 WeakPolarHBondContact O-CB 3.46Å; K738-E742 WeakPolarHBondContact O-CG 3.21Å; K738-E742 PolarHBondContact O-N 2.91Å; E742-T744 PolarHBondContact O-N 3.28Å; E742-T744 VanDerWaalsContact O-N 3.16Å
743	D	70.8	Confident	69.9	Low	26 Å²	26	54 Å²	54	14%	0.139	25%	0.251	C	S	.	.			trans	-81.8	102.2	-175.3	-162.3	-21	0	0	0	111.2	W739 R745 A746 S747	W739-D743 VanDerWaalsContact O-CB 3.27Å; W739-D743 WeakPolarHBondContact O-CB 3.33Å; W739-D743 PolarHBondContact O-N 3.46Å; D743-R745 PolarHBondContact O-N 2.82Å; D743-R745 VanDerWaalsContact O-N 3.09Å; D743-R745 WeakPolarHBondContact OD1-CB 3.44Å; D743-R745 WeakPolarHBondContact OD1-CG 3.5Å; D743-R745 IonicContact OD1-CZ 3.72Å; D743-R745 PolarHBondContact OD1-N 2Å; D743-R745 IonicContact OD1-NE 3.51Å; D743-R745 PolarHBondContact OD1-NE 3.3Å; D743-R745 IonicContact OD1-NH2 2.8Å; D743-R745 IonicContact OD2-CZ 3.82Å; D743-R745 IonicContact OD2-NE 2.68Å; D743-R745 PolarHBondContact OD2-NE 3.49Å; D743-R745 IonicContact OD2-NH2 3.36Å; D743-R745 PolarHBondContact OD2-NH2 3.26Å; D743-A746 HydrophobicContact CB-CB 3.97Å; D743-A746 WeakPolarHBondContact O-CA 3.34Å; D743-A746 WeakPolarHBondContact O-CB 3.49Å; D743-A746 PolarHBondContact O-N 2.73Å; D743-S747 PolarHBondContact O-N 2.7Å
744	T	61.9	Low	70.5	Confident	80 Å²	80	56.6 Å²	56.6	49%	0.491	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.4	175.1	60	0	0	0	0	113.7	E742 P750 K770	E742-T744 PolarHBondContact O-N 3.28Å; E742-T744 VanDerWaalsContact O-N 3.16Å; T744-P750 HydrophobicContact CG2-CB 4.1Å; T744-P750 HydrophobicContact CG2-CG 3.84Å; T744-K770 WeakPolarHBondContact O-CD 3.4Å; T744-K770 VanDerWaalsContact O-CE 3.25Å; T744-K770 WeakPolarHBondContact O-CE 3.5Å; T744-K770 PolarHBondContact O-NZ 3.18Å
745	R	65.2	Low	71.1	Confident	191 Å²	191	55.9 Å²	55.9	72%	0.721	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-26.8	172.5	-57.1	169.6	-65.4	-179.9	4.5	111.4	D743	D743-R745 PolarHBondContact O-N 2.82Å; D743-R745 VanDerWaalsContact O-N 3.09Å; D743-R745 WeakPolarHBondContact OD1-CB 3.44Å; D743-R745 WeakPolarHBondContact OD1-CG 3.5Å; D743-R745 IonicContact OD1-CZ 3.72Å; D743-R745 PolarHBondContact OD1-N 2Å; D743-R745 IonicContact OD1-NE 3.51Å; D743-R745 PolarHBondContact OD1-NE 3.3Å; D743-R745 IonicContact OD1-NH2 2.8Å; D743-R745 IonicContact OD2-CZ 3.82Å; D743-R745 IonicContact OD2-NE 2.68Å; D743-R745 PolarHBondContact OD2-NE 3.49Å; D743-R745 IonicContact OD2-NH2 3.36Å; D743-R745 PolarHBondContact OD2-NH2 3.26Å
746	A	62.7	Low	72	Confident	8 Å²	8	50.4 Å²	50.4	7%	0.066	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-36.9	178.3	0	0	0	0	0	112.1	W739 D743 L769 K770	W739-A746 HydrophobicContact CD2-CB 4.33Å; W739-A746 HydrophobicContact CE3-CB 4.47Å; W739-A746 HydrophobicContact CH2-CB 3.85Å; W739-A746 HydrophobicContact CZ2-CB 3.68Å; W739-A746 HydrophobicContact CZ3-CB 4.22Å; D743-A746 HydrophobicContact CB-CB 3.97Å; D743-A746 WeakPolarHBondContact O-CA 3.34Å; D743-A746 WeakPolarHBondContact O-CB 3.49Å; D743-A746 PolarHBondContact O-N 2.73Å; A746-L769 CarbonylContact O-C 3.51Å; A746-L769 WeakPolarHBondContact O-CA 3.03Å; A746-K770 PolarHBondContact O-N 2.72Å
747	S	69.9	Low	72.9	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.014	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-142	151.2	-169.7	-174.2	0	0	0	0	114.7	I740 D743 L749 L768	I740-S747 WeakPolarHBondContact O-CB 3.01Å; D743-S747 PolarHBondContact O-N 2.7Å; S747-L749 WeakPolarHBondContact OG-CB 3.3Å; S747-L749 WeakPolarHBondContact OG-CD1 2.96Å; S747-L749 PolarHBondContact OG-N 3.4Å; S747-L768 PolarHBondContact OG-O 3.34Å
748	A	72.9	Confident	73.6	Confident	28 Å²	28	49.6 Å²	49.6	23%	0.231	25%	0.247	C	C	.	.	S	Bend	trans	-82.7	-10.7	167.4	0	0	0	0	0	113.5	H751 L752 L768	A748-H751 WeakPolarHBondContact O-CB 3.44Å; A748-H751 PolarHBondContact O-N 2.86Å; A748-H751 VanDerWaalsContact O-N 3.11Å; A748-L752 PolarHBondContact O-N 3.02Å; A748-L768 PolarHBondContact N-O 3.44Å
749	L	77.4	Confident	74.4	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-54.5	-46.8	-179.6	-87.8	86.2	0	0	0	114.4	M725 F741 S747 H751 L752 F753 I765 L768	M725-L749 HydrophobicContact CE-CD2 4.18Å; F741-L749 HydrophobicContact CD1-CB 4.33Å; F741-L749 HydrophobicContact CD1-CD2 3.44Å; F741-L749 VanDerWaalsContact CD1-CD2 3.44Å; F741-L749 HydrophobicContact CE1-CD2 3.18Å; F741-L749 HydrophobicContact CZ-CD2 4.31Å; S747-L749 WeakPolarHBondContact OG-CB 3.3Å; S747-L749 WeakPolarHBondContact OG-CD1 2.96Å; S747-L749 PolarHBondContact OG-N 3.4Å; L749-H751 PolarHBondContact O-N 3.13Å; L749-L752 WeakPolarHBondContact O-CB 3.44Å; L749-L752 PolarHBondContact O-N 2.65Å; L749-L752 VanDerWaalsContact O-N 3.07Å; L749-F753 HydrophobicContact CD2-CE2 4.35Å; L749-F753 HydrophobicContact CG-CE2 4.38Å; L749-F753 WeakPolarHBondContact O-CD2 3.26Å; L749-F753 PolarHBondContact O-N 3.33Å; L749-I765 HydrophobicContact CD1-CG2 3.97Å; L749-I765 HydrophobicContact CD2-CD1 4.4Å; L749-I765 HydrophobicContact CD2-CG1 4.32Å; L749-I765 HydrophobicContact CD2-CG2 4.45Å; L749-L768 HydrophobicContact CD1-CB 3.35Å; L749-L768 HydrophobicContact CD1-CD1 3.53Å; L749-L768 HydrophobicContact CD1-CG 4.09Å; L749-L768 HydrophobicContact CG-CD1 4.01Å
750	P	75.4	Confident	75.4	Confident	32 Å²	32	44.1 Å²	44.1	21%	0.208	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-32.7	178.4	8.7	-19.1	0	0	0	113.1	F741 T744 S754	F741-P750 WeakPolarHBondContact O-CB 3.3Å; F741-P750 VanDerWaalsContact O-CD 3.31Å; F741-P750 WeakPolarHBondContact O-CD 3.42Å; F741-P750 VanDerWaalsContact O-CG 3.22Å; F741-P750 WeakPolarHBondContact O-CG 3.49Å; T744-P750 HydrophobicContact CG2-CB 4.1Å; T744-P750 HydrophobicContact CG2-CG 3.84Å; P750-S754 PolarHBondContact O-N 3.05Å
751	H	76.7	Confident	76.3	Confident	112 Å²	112	44.4 Å²	44.4	52%	0.519	23%	0.228	S	C	.	.	H	α-helix	trans	-72.7	-40.8	173.6	-167.3	-58.7	0	0	0	111.4	A748 L749 F753 S754	A748-H751 WeakPolarHBondContact O-CB 3.44Å; A748-H751 PolarHBondContact O-N 2.86Å; A748-H751 VanDerWaalsContact O-N 3.11Å; L749-H751 PolarHBondContact O-N 3.13Å; H751-F753 PolarHBondContact O-N 2.93Å; H751-S754 VanDerWaalsContact O-CB 3.3Å; H751-S754 WeakPolarHBondContact O-CB 3.35Å; H751-S754 PolarHBondContact O-N 3.19Å; H751-S754 PolarHBondContact O-OG 3.45Å
752	L	74.5	Confident	77.2	Confident	12 Å²	12	44.1 Å²	44.1	6%	0.063	23%	0.226	C	C	.	.	H	α-helix	trans	-56.6	-50.9	178.6	-175.8	60.2	0	0	0	111.3	H666 I669 A748 L749 S754 I757 L763 L768	H666-L752 PolarHBondContact CE1-O 3.27Å; H666-L752 VanDerWaalsContact ND1-CD1 3.31Å; H666-L752 WeakPolarHBondContact ND1-CD1 3.3Å; I669-L752 HydrophobicContact CD1-CD1 3.71Å; I669-L752 HydrophobicContact CD1-CD2 3.93Å; I669-L752 HydrophobicContact CD1-CG 4.31Å; I669-L752 HydrophobicContact CG1-CD1 4.39Å; A748-L752 PolarHBondContact O-N 3.02Å; L749-L752 WeakPolarHBondContact O-CB 3.44Å; L749-L752 PolarHBondContact O-N 2.65Å; L749-L752 VanDerWaalsContact O-N 3.07Å; L752-S754 VanDerWaalsContact C-N 3.34Å; L752-S754 PolarHBondContact O-N 2.9Å; L752-I757 HydrophobicContact CD1-CD1 4.33Å; L752-I757 WeakPolarHBondContact O-CD1 3.14Å; L752-L763 HydrophobicContact CD2-CD2 4.33Å; L752-L768 HydrophobicContact CD2-CD1 4Å
753	F	78.6	Confident	77.9	Confident	24 Å²	24	40 Å²	40	11%	0.105	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	16.1	-178.5	-61.2	-73.4	0	0	0	114.1	W721 M725 L749 H751 K755 H759 L763	W721-F753 HydrophobicContact CB-CD1 4.11Å; W721-F753 HydrophobicContact CB-CE1 3.32Å; W721-F753 HydrophobicContact CB-CE2 4.3Å; W721-F753 HydrophobicContact CB-CZ 3.43Å; W721-F753 VanDerWaalsContact CB-CZ 3.43Å; W721-F753 HydrophobicContact CD2-CE2 4.48Å; W721-F753 HydrophobicContact CD2-CZ 4.01Å; W721-F753 HydrophobicContact CE3-CE2 4.37Å; W721-F753 HydrophobicContact CE3-CZ 4.33Å; W721-F753 AromaticContact CG-CE1 3.99Å; W721-F753 HydrophobicContact CG-CE1 3.99Å; W721-F753 HydrophobicContact CG-CE2 4.49Å; W721-F753 AromaticContact CG-CZ 3.63Å; W721-F753 HydrophobicContact CG-CZ 3.63Å; M725-F753 HydrophobicContact CE-CD2 3.57Å; M725-F753 HydrophobicContact CE-CE2 3.86Å; M725-F753 HydrophobicContact CE-CG 4.26Å; M725-F753 HydrophobicContact CG-CB 3.82Å; M725-F753 HydrophobicContact CG-CD2 4.2Å; M725-F753 HydrophobicContact CG-CG 3.97Å; M725-F753 HydrophobicContact SD-CB 4.32Å; M725-F753 HydrophobicContact SD-CD2 4.14Å; M725-F753 HydrophobicContact SD-CG 4.43Å; L749-F753 HydrophobicContact CD2-CE2 4.35Å; L749-F753 HydrophobicContact CG-CE2 4.38Å; L749-F753 WeakPolarHBondContact O-CD2 3.26Å; L749-F753 PolarHBondContact O-N 3.33Å; H751-F753 PolarHBondContact O-N 2.93Å; F753-K755 CarbonylContact C-O 3.56Å; F753-K755 PolarHBondContact O-N 2.94Å; F753-H759 HydrophobicContact CE1-CB 4.35Å; F753-L763 HydrophobicContact CE2-CD2 4.3Å; F753-L763 HydrophobicContact CZ-CD2 4.29Å
754	S	77.4	Confident	78.7	Confident	76 Å²	76	38.9 Å²	38.9	53%	0.531	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-31.7	177.2	61	0	0	0	0	113	P750 H751 L752	P750-S754 PolarHBondContact O-N 3.05Å; H751-S754 VanDerWaalsContact O-CB 3.3Å; H751-S754 WeakPolarHBondContact O-CB 3.35Å; H751-S754 PolarHBondContact O-N 3.19Å; H751-S754 PolarHBondContact O-OG 3.45Å; L752-S754 VanDerWaalsContact C-N 3.34Å; L752-S754 PolarHBondContact O-N 2.9Å
755	K	76.9	Confident	79.5	Confident	89 Å²	89	35.4 Å²	35.4	39%	0.387	18%	0.18	S	C	.	.	S	Bend	trans	-111.1	151.3	169.3	-57.4	176.3	-174.6	167.1	0	109	F753 I757	F753-K755 CarbonylContact C-O 3.56Å; F753-K755 PolarHBondContact O-N 2.94Å; K755-I757 WeakPolarHBondContact O-CG1 3.45Å; K755-I757 PolarHBondContact O-N 3.5Å
756	P	81.5	Confident	80.1	Confident	58 Å²	58	27 Å²	27	38%	0.377	15%	0.149	S	C	.	.			trans	-57.5	123.5	177.4	-22	32.4	0	0	0	111.6	T679 R680	T679-P756 WeakPolarHBondContact CA-O 3.48Å; T679-P756 HydrophobicContact CG2-CB 4.45Å; R680-P756 PolarHBondContact N-O 3.28Å
757	I	82.8	Confident	80.7	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.01	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-122.4	131.1	174.7	-58.9	177	0	0	0	108.3	R680 T722 L752 K755 H759	R680-I757 CarbonylContact O-C 3.6Å; R680-I757 VanDerWaalsContact O-CA 3.29Å; R680-I757 WeakPolarHBondContact O-CA 3.39Å; T722-I757 WeakPolarHBondContact CG2-O 2.92Å; L752-I757 HydrophobicContact CD1-CD1 4.33Å; L752-I757 WeakPolarHBondContact O-CD1 3.14Å; K755-I757 WeakPolarHBondContact O-CG1 3.45Å; K755-I757 PolarHBondContact O-N 3.5Å; I757-H759 HydrophobicContact CG2-CB 3.95Å; I757-H759 PolarHBondContact O-N 2.01Å; I757-H759 VanDerWaalsContact O-N 3.14Å
758	Q	86.2	Confident	81	Confident	43 Å²	43	28.1 Å²	28.1	20%	0.201	16%	0.155	C	C	.	.			trans	-77.7	97.6	167.3	-173.1	170.6	-29.8	0	0	109.2	R637 I675 T679 R680	R637-Q758 VanDerWaalsContact NH1-CD 3.32Å; R637-Q758 VanDerWaalsContact NH1-NE2 3.16Å; I675-Q758 HydrophobicContact CD1-CB 3.96Å; T679-Q758 HydrophobicContact CG2-CB 4.03Å; R680-Q758 PolarHBondContact O-N 3.28Å
759	H	86.5	Confident	81.1	Confident	5 Å²	5	27.5 Å²	27.5	2%	0.023	15%	0.147	C	C	.	.			trans	-144.6	114.3	-178.7	-165.1	60.5	0	0	0	108.5	R634 Q720 W721 F753 I757 Q761	R634-H759 PolarHBondContact NH2-ND1 3.26Å; Q720-H759 PolarHBondContact OE1-O 3.42Å; W721-H759 WeakPolarHBondContact CB-O 3.24Å; W721-H759 AromaticContact CD1-CD2 3.2Å; W721-H759 AromaticContact CD1-CG 3.88Å; W721-H759 AromaticContact CG-CD2 3.99Å; W721-H759 PolarHBondContact N-O 2.77Å; W721-H759 AromaticContact NE1-CD2 3.61Å; F753-H759 HydrophobicContact CE1-CB 4.35Å; I757-H759 HydrophobicContact CG2-CB 3.95Å; I757-H759 PolarHBondContact O-N 2.01Å; I757-H759 VanDerWaalsContact O-N 3.14Å; H759-Q761 PolarHBondContact ND1-OE1 3.22Å; H759-Q761 VanDerWaalsContact ND1-OE1 3.15Å
760	N	89	Confident	80.6	Confident	34 Å²	34	33.3 Å²	33.3	18%	0.182	17%	0.173	C	C	.	.			trans	-129.4	13.7	171.8	60.8	-26.6	0	0	0	112.1	N710 C718 Q720	N710-N760 WeakPolarHBondContact CB-O 3.39Å; C718-N760 WeakPolarHBondContact CB-O 3.46Å; Q720-N760 HydrophobicContact CG-CB 4.29Å; Q720-N760 PolarHBondContact NE2-ND2 2.98Å
761	Q	89.6	Confident	80.1	Confident	8 Å²	8	34.9 Å²	34.9	4%	0.037	18%	0.179	C	C	.	.	S	Bend	trans	-81.7	160.2	173.3	-62.7	82.7	-3.4	0	0	109.4	Y685 G707 K709 W721 H759	Y685-Q761 HydrophobicContact CE1-CG 4.28Å; Y685-Q761 PolarHBondContact OH-NE2 3.17Å; Y685-Q761 VanDerWaalsContact OH-NE2 3.11Å; G707-Q761 WeakPolarHBondContact O-CG 3.45Å; K709-Q761 CarbonylContact O-C 3.57Å; K709-Q761 WeakPolarHBondContact O-CA 3.31Å; K709-Q761 WeakPolarHBondContact O-CB 3.31Å; W721-Q761 PolarHBondContact NE1-O 2.78Å; H759-Q761 PolarHBondContact ND1-OE1 3.22Å; H759-Q761 VanDerWaalsContact ND1-OE1 3.15Å
762	C	92.4	Very high	79.4	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.007	17%	0.17	C	C	.	.			trans	-61	144.1	176.2	-54.3	0	0	0	0	110.6	Y705 K709 P789 I790 C804	Y705-C762 HydrophobicContact CD1-CB 4.16Å; Y705-C762 VanDerWaalsContact CD1-O 3.31Å; Y705-C762 WeakPolarHBondContact CD1-O 3.49Å; Y705-C762 HydrophobicContact CE1-CB 4.07Å; K709-C762 PolarHBondContact O-N 3.49Å; K709-C762 PolarHBondContact O-SG 3Å; C762-P789 HydrophobicContact CB-CB 3.87Å; C762-I790 WeakPolarHBondContact CA-O 3.49Å; C762-C804 HydrophobicContact CB-CB 3.61Å; C762-C804 WeakPolarHBondContact CB-SG 3.27Å; C762-C804 WeakPolarHBondContact SG-CB 3.18Å; C762-C804 CovalentContact SG-SG 2Å; C762-C804 PolarHBondContact SG-SG 2.84Å
763	L	88.1	Confident	78.7	Confident	10 Å²	10	35.3 Å²	35.3	5%	0.052	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	133	-179.3	-170.4	65.7	0	0	0	108.6	W721 L752 F753 I765 L768 I790	W721-L763 HydrophobicContact CH2-CB 4.33Å; W721-L763 HydrophobicContact CZ2-CB 3.54Å; W721-L763 HydrophobicContact CZ2-CD2 4.29Å; L752-L763 HydrophobicContact CD2-CD2 4.33Å; F753-L763 HydrophobicContact CE2-CD2 4.3Å; F753-L763 HydrophobicContact CZ-CD2 4.29Å; L763-I765 PolarHBondContact O-N 2.88Å; L763-L768 HydrophobicContact CD1-CD1 4.04Å; L763-L768 HydrophobicContact CD2-CD1 3.52Å; L763-L768 HydrophobicContact CG-CD1 3.83Å; L763-I790 PolarHBondContact N-O 3.03Å; L763-I790 PolarHBondContact O-N 2.97Å
764	N	86.3	Confident	77.7	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	101.3	169.7	-167.5	-10.4	0	0	0	108.5	M700 I703 L766 T767 G788 P789	M700-N764 PolarHBondContact O-ND2 3.38Å; I703-N764 WeakPolarHBondContact O-CB 3.07Å; I703-N764 PolarHBondContact O-ND2 2.77Å; N764-L766 PolarHBondContact O-N 3.19Å; N764-L766 WeakPolarHBondContact OD1-CB 3.48Å; N764-L766 PolarHBondContact OD1-N 3.24Å; N764-T767 HydrophobicContact CB-CG2 4.26Å; N764-T767 PolarHBondContact O-N 2.94Å; N764-T767 PolarHBondContact O-OG1 3.49Å; N764-G788 PolarHBondContact OD1-O 3.38Å; N764-P789 HydrophobicContact CB-CG 4.42Å
765	I	79.9	Confident	76.7	Confident	7 Å²	7	32.7 Å²	32.7	4%	0.036	18%	0.175	C	C	.	.	S	Bend	trans	-65.6	-31	-179.1	-63.4	-176.9	0	0	0	110.6	W721 W737 I740 F741 L749 L763 T767 L768 L769 I790	W721-I765 HydrophobicContact CH2-CD1 3.88Å; W721-I765 HydrophobicContact CH2-CG1 4.15Å; W721-I765 HydrophobicContact CZ3-CD1 4.22Å; W737-I765 HydrophobicContact CH2-CD1 4.2Å; W737-I765 HydrophobicContact CZ3-CD1 3.71Å; I740-I765 HydrophobicContact CG2-CG2 3.83Å; F741-I765 HydrophobicContact CE1-CD1 4.28Å; F741-I765 HydrophobicContact CZ-CD1 3.94Å; L749-I765 HydrophobicContact CD1-CG2 3.97Å; L749-I765 HydrophobicContact CD2-CD1 4.4Å; L749-I765 HydrophobicContact CD2-CG1 4.32Å; L749-I765 HydrophobicContact CD2-CG2 4.45Å; L763-I765 PolarHBondContact O-N 2.88Å; I765-T767 VanDerWaalsContact C-N 3.28Å; I765-T767 PolarHBondContact O-N 3.48Å; I765-L768 PolarHBondContact O-N 3.32Å; I765-L769 HydrophobicContact CG2-CD2 4.39Å; I765-L769 PolarHBondContact O-N 3.15Å; I765-I790 HydrophobicContact CD1-CD1 3.64Å; I765-I790 HydrophobicContact CD1-CG1 4.11Å; I765-I790 HydrophobicContact CG1-CD1 4.24Å; I765-I790 HydrophobicContact CG1-CG1 4.26Å
766	L	76.5	Confident	75.6	Confident	15 Å²	15	34.7 Å²	34.7	8%	0.079	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-59.7	-38.4	-178.1	-65	-177.9	0	0	0	111.9	L701 N764 L768 L769 Q772 Y775 L786	L701-L766 HydrophobicContact CD2-CD1 3.99Å; N764-L766 PolarHBondContact O-N 3.19Å; N764-L766 WeakPolarHBondContact OD1-CB 3.48Å; N764-L766 PolarHBondContact OD1-N 3.24Å; L766-L768 PolarHBondContact O-N 3.44Å; L766-L769 HydrophobicContact CD2-CD1 3.99Å; L766-L769 PolarHBondContact O-N 3Å; L766-Q772 VanDerWaalsContact O-CG 3.25Å; L766-Q772 WeakPolarHBondContact O-CG 3.45Å; L766-Q772 PolarHBondContact O-NE2 3.38Å; L766-Y775 HydrophobicContact CD2-CD1 3.83Å; L766-Y775 HydrophobicContact CD2-CE1 4.26Å; L766-Y775 HydrophobicContact CD2-CG 4.22Å; L766-L786 WeakPolarHBondContact CD1-O 3.45Å; L766-L786 HydrophobicContact CD2-CB 4.49Å; L766-L786 WeakPolarHBondContact CG-O 3.41Å
767	T	76.4	Confident	74.1	Confident	22 Å²	22	39.6 Å²	39.6	14%	0.135	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-70.6	-14.1	178.7	62.3	0	0	0	0	113.2	N702 I703 E704 N764 I765	N702-T767 WeakPolarHBondContact O-CG2 3.2Å; I703-T767 WeakPolarHBondContact O-CG2 3.4Å; E704-T767 HydrophobicContact CG-CG2 3.9Å; N764-T767 HydrophobicContact CB-CG2 4.26Å; N764-T767 PolarHBondContact O-N 2.94Å; N764-T767 PolarHBondContact O-OG1 3.49Å; I765-T767 VanDerWaalsContact C-N 3.28Å; I765-T767 PolarHBondContact O-N 3.48Å
768	L	76.8	Confident	72.5	Confident	12 Å²	12	42 Å²	42	6%	0.063	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-100.6	-1.6	178.1	-59	175.2	0	0	0	113.1	Y668 S747 A748 L749 L752 L763 I765 L766	Y668-L768 HydrophobicContact CD2-CD2 4.16Å; S747-L768 PolarHBondContact OG-O 3.34Å; A748-L768 PolarHBondContact N-O 3.44Å; L749-L768 HydrophobicContact CD1-CB 3.35Å; L749-L768 HydrophobicContact CD1-CD1 3.53Å; L749-L768 HydrophobicContact CD1-CG 4.09Å; L749-L768 HydrophobicContact CG-CD1 4.01Å; L752-L768 HydrophobicContact CD2-CD1 4Å; L763-L768 HydrophobicContact CD1-CD1 4.04Å; L763-L768 HydrophobicContact CD2-CD1 3.52Å; L763-L768 HydrophobicContact CG-CD1 3.83Å; I765-L768 PolarHBondContact O-N 3.32Å; L766-L768 PolarHBondContact O-N 3.44Å
769	L	73.5	Confident	70.5	Confident	14 Å²	14	43.4 Å²	43.4	7%	0.073	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-77.9	130.5	172.4	-62.7	-179.8	0	0	0	109.9	I740 A746 I765 L766 D771 Q772 Y775	I740-L769 HydrophobicContact CG2-CD2 4.01Å; A746-L769 CarbonylContact O-C 3.51Å; A746-L769 WeakPolarHBondContact O-CA 3.03Å; I765-L769 HydrophobicContact CG2-CD2 4.39Å; I765-L769 PolarHBondContact O-N 3.15Å; L766-L769 HydrophobicContact CD2-CD1 3.99Å; L766-L769 PolarHBondContact O-N 3Å; L769-D771 VanDerWaalsContact C-N 3.25Å; L769-D771 PolarHBondContact O-N 3.38Å; L769-Q772 HydrophobicContact CB-CG 4.27Å; L769-Y775 HydrophobicContact CD1-CD2 3.49Å; L769-Y775 VanDerWaalsContact CD1-CD2 3.49Å; L769-Y775 HydrophobicContact CD1-CE2 4.33Å; L769-Y775 HydrophobicContact CD1-CG 3.7Å
770	K	67.2	Low	68.5	Low	123 Å²	123	45.1 Å²	45.1	54%	0.535	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-25.7	177	-69.8	-176.6	176.7	177.2	0	112.5	T744 A746	T744-K770 WeakPolarHBondContact O-CD 3.4Å; T744-K770 VanDerWaalsContact O-CE 3.25Å; T744-K770 WeakPolarHBondContact O-CE 3.5Å; T744-K770 PolarHBondContact O-NZ 3.18Å; A746-K770 PolarHBondContact O-N 2.72Å
771	D	65.3	Low	66.6	Low	64 Å²	64	44.7 Å²	44.7	34%	0.342	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.2	80.1	176.8	-173.5	-0.9	0	0	0	110.3	L769 A773 S774	L769-D771 VanDerWaalsContact C-N 3.25Å; L769-D771 PolarHBondContact O-N 3.38Å; D771-A773 PolarHBondContact O-N 2.96Å; D771-A773 WeakPolarHBondContact OD1-CB 3.06Å; D771-A773 PolarHBondContact OD1-N 3.04Å; D771-S774 VanDerWaalsContact CG-OG 3.24Å; D771-S774 PolarHBondContact O-N 2.87Å; D771-S774 PolarHBondContact OD1-N 3.32Å; D771-S774 VanDerWaalsContact OD2-CB 3.25Å; D771-S774 WeakPolarHBondContact OD2-CB 3.47Å; D771-S774 PolarHBondContact OD2-OG 3.39Å
772	Q	63.2	Low	64.7	Low	69 Å²	69	45 Å²	45	32%	0.322	24%	0.238	S	C	.	.	H	α-helix	trans	-57.1	-31.3	175	-71	180	-14.6	0	0	112.4	L766 L769 Y775 Y776	L766-Q772 VanDerWaalsContact O-CG 3.25Å; L766-Q772 WeakPolarHBondContact O-CG 3.45Å; L766-Q772 PolarHBondContact O-NE2 3.38Å; L769-Q772 HydrophobicContact CB-CG 4.27Å; Q772-Y775 VanDerWaalsContact O-CB 3.26Å; Q772-Y775 WeakPolarHBondContact O-CB 3.42Å; Q772-Y775 PolarHBondContact O-N 3Å; Q772-Y775 VanDerWaalsContact O-N 3.14Å; Q772-Y776 WeakPolarHBondContact O-CD2 3.25Å
773	A	59.1	Low	62.7	Low	64 Å²	64	48.4 Å²	48.4	53%	0.529	26%	0.26	S	S	.	.	H	α-helix	trans	-70.2	-33.4	-178.6	0	0	0	0	0	112.1	D771 Y775	D771-A773 PolarHBondContact O-N 2.96Å; D771-A773 WeakPolarHBondContact OD1-CB 3.06Å; D771-A773 PolarHBondContact OD1-N 3.04Å; A773-Y775 PolarHBondContact O-N 2.68Å
774	S	57.8	Low	61	Low	31 Å²	31	49.1 Å²	49.1	22%	0.217	26%	0.264	C	S	.	.	H	α-helix	trans	-68.4	-22.8	172.2	-77.1	0	0	0	0	112.9	D771 K777 F778	D771-S774 VanDerWaalsContact CG-OG 3.24Å; D771-S774 PolarHBondContact O-N 2.87Å; D771-S774 PolarHBondContact OD1-N 3.32Å; D771-S774 VanDerWaalsContact OD2-CB 3.25Å; D771-S774 WeakPolarHBondContact OD2-CB 3.47Å; D771-S774 PolarHBondContact OD2-OG 3.39Å; S774-K777 WeakPolarHBondContact O-CB 3.42Å; S774-K777 PolarHBondContact O-N 2.89Å; S774-K777 VanDerWaalsContact O-N 3.17Å; S774-F778 WeakPolarHBondContact O-CD2 3.34Å
775	Y	55.5	Low	59.4	Low	14 Å²	14	51.6 Å²	51.6	6%	0.055	28%	0.277	C	S	.	.	H	α-helix	trans	-65.8	-42	-179.1	-163.4	-97.3	0	0	0	113.1	I740 L766 L769 Q772 A773 K777 F778 M781 L786	I740-Y775 HydrophobicContact CD1-CE2 3.59Å; I740-Y775 HydrophobicContact CG1-CE2 4.08Å; L766-Y775 HydrophobicContact CD2-CD1 3.83Å; L766-Y775 HydrophobicContact CD2-CE1 4.26Å; L766-Y775 HydrophobicContact CD2-CG 4.22Å; L769-Y775 HydrophobicContact CD1-CD2 3.49Å; L769-Y775 VanDerWaalsContact CD1-CD2 3.49Å; L769-Y775 HydrophobicContact CD1-CE2 4.33Å; L769-Y775 HydrophobicContact CD1-CG 3.7Å; Q772-Y775 VanDerWaalsContact O-CB 3.26Å; Q772-Y775 WeakPolarHBondContact O-CB 3.42Å; Q772-Y775 PolarHBondContact O-N 3Å; Q772-Y775 VanDerWaalsContact O-N 3.14Å; A773-Y775 PolarHBondContact O-N 2.68Å; Y775-K777 PolarHBondContact O-N 3.48Å; Y775-F778 HydrophobicContact CD2-CD2 4.39Å; Y775-F778 PolarHBondContact O-N 3.06Å; Y775-M781 VanDerWaalsContact OH-CE 3.29Å; Y775-M781 WeakPolarHBondContact OH-CE 2.94Å; Y775-M781 WeakPolarHBondContact OH-CG 3.45Å; Y775-L786 HydrophobicContact CE1-CB 4.43Å; Y775-L786 HydrophobicContact CE1-CD1 3.33Å; Y775-L786 HydrophobicContact CE2-CD1 4.41Å; Y775-L786 WeakPolarHBondContact OH-CD1 3.47Å
776	Y	54.2	Low	58.3	Low	132 Å²	132	51.7 Å²	51.7	52%	0.518	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-10.7	176.2	-62.8	-75.5	0	0	0	113.7	Q772	Q772-Y776 WeakPolarHBondContact O-CD2 3.25Å
777	K	50.2	Low	57.8	Low	160 Å²	160	53.6 Å²	53.6	70%	0.696	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-5.4	176.3	-59.4	-179.8	-179.6	172.1	0	113.4	S774 Y775 P779	S774-K777 WeakPolarHBondContact O-CB 3.42Å; S774-K777 PolarHBondContact O-N 2.89Å; S774-K777 VanDerWaalsContact O-N 3.17Å; Y775-K777 PolarHBondContact O-N 3.48Å; K777-P779 VanDerWaalsContact O-CD 3.22Å; K777-P779 WeakPolarHBondContact O-CD 3.34Å
778	F	48	Very low	58	Low	53 Å²	53	52.6 Å²	52.6	23%	0.232	28%	0.28	C	S	.	.			trans	-75.1	116.9	-178.9	-84.7	-90.7	0	0	0	111.3	W739 S774 Y775	W739-F778 HydrophobicContact CD2-CE1 4.01Å; W739-F778 HydrophobicContact CD2-CE2 4.41Å; W739-F778 AromaticContact CD2-CZ 3.57Å; W739-F778 HydrophobicContact CD2-CZ 3.57Å; W739-F778 AromaticContact CE2-CZ 3.81Å; W739-F778 HydrophobicContact CE3-CD1 4.49Å; W739-F778 HydrophobicContact CE3-CD2 4.47Å; W739-F778 AromaticContact CE3-CE1 3.61Å; W739-F778 HydrophobicContact CE3-CE1 3.61Å; W739-F778 AromaticContact CE3-CE2 3.62Å; W739-F778 HydrophobicContact CE3-CE2 3.62Å; W739-F778 AromaticContact CE3-CZ 3.11Å; W739-F778 HydrophobicContact CE3-CZ 3.11Å; W739-F778 HydrophobicContact CH2-CD2 4.39Å; W739-F778 HydrophobicContact CH2-CE1 4.45Å; W739-F778 AromaticContact CH2-CE2 3.19Å; W739-F778 HydrophobicContact CH2-CE2 3.19Å; W739-F778 AromaticContact CH2-CZ 3.24Å; W739-F778 HydrophobicContact CH2-CZ 3.24Å; W739-F778 HydrophobicContact CZ2-CE2 4.04Å; W739-F778 AromaticContact CZ2-CZ 3.66Å; W739-F778 HydrophobicContact CZ2-CZ 3.66Å; W739-F778 AromaticContact CZ3-CD2 3.88Å; W739-F778 HydrophobicContact CZ3-CD2 3.88Å; W739-F778 AromaticContact CZ3-CE1 3.89Å; W739-F778 HydrophobicContact CZ3-CE1 3.89Å; W739-F778 AromaticContact CZ3-CE2 2.96Å; W739-F778 HydrophobicContact CZ3-CE2 2.96Å; W739-F778 AromaticContact CZ3-CZ 2.97Å; W739-F778 HydrophobicContact CZ3-CZ 2.97Å; S774-F778 WeakPolarHBondContact O-CD2 3.34Å; Y775-F778 HydrophobicContact CD2-CD2 4.39Å; Y775-F778 PolarHBondContact O-N 3.06Å
779	P	44.6	Very low	58.7	Low	73 Å²	73	52.1 Å²	52.1	47%	0.474	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	138.3	177	26.1	-30.5	0	0	0	111.1	Q736 K777 W856	Q736-P779 PolarHBondContact NE2-O 3.25Å; K777-P779 VanDerWaalsContact O-CD 3.22Å; K777-P779 WeakPolarHBondContact O-CD 3.34Å; P779-W856 HydrophobicContact CB-CZ2 3.54Å
780	G	45.9	Very low	59.4	Low	41 Å²	41	51.5 Å²	51.5	42%	0.423	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.3	-6	171.8	0	0	0	0	0	116.3	W856	G780-W856 VanDerWaalsContact N-CE2 3.32Å
781	M	48.5	Very low	60.5	Low	24 Å²	24	45.6 Å²	45.6	12%	0.118	25%	0.248	C	C	.	.			trans	-88.5	123.5	171	-82.5	-79.4	-164.6	0	0	109.1	W737 Y775 P783 L786	W737-M781 HydrophobicContact CZ2-CE 3.88Å; Y775-M781 VanDerWaalsContact OH-CE 3.29Å; Y775-M781 WeakPolarHBondContact OH-CE 2.94Å; Y775-M781 WeakPolarHBondContact OH-CG 3.45Å; M781-P783 WeakPolarHBondContact O-CD 3.21Å; M781-P783 VanDerWaalsContact O-N 3.13Å; M781-L786 HydrophobicContact CE-CD1 3.7Å; M781-L786 HydrophobicContact CG-CD1 4.36Å; M781-L786 HydrophobicContact SD-CD1 3.55Å; M781-L786 VanDerWaalsContact SD-CD1 3.55Å; M781-L786 HydrophobicContact SD-CG 4.32Å
782	D	50.1	Low	61.6	Low	16 Å²	16	42.6 Å²	42.6	9%	0.086	23%	0.232	C	C	.	.			trans	-61.7	115.7	158.3	-176.2	-12.2	0	0	0	105.5	V784 I785 P861 H863 R867	D782-V784 PolarHBondContact O-N 2.79Å; D782-V784 WeakPolarHBondContact OD1-CB 2.86Å; D782-V784 WeakPolarHBondContact OD1-CG2 3.3Å; D782-V784 PolarHBondContact OD1-N 3.28Å; D782-I785 HydrophobicContact CB-CD1 4.46Å; D782-I785 HydrophobicContact CB-CG1 4.39Å; D782-I785 PolarHBondContact O-N 3.39Å; D782-I785 VanDerWaalsContact O-N 3.15Å; D782-P861 HydrophobicContact CB-CB 4.22Å; D782-P861 HydrophobicContact CB-CG 4.15Å; D782-H863 IonicContact OD2-CE1 3.96Å; D782-H863 IonicContact OD2-NE2 3.72Å; D782-H863 PolarHBondContact OD2-NE2 3.16Å; D782-R867 IonicContact OD2-NE 3.24Å
783	P	50.4	Low	62.8	Low	71 Å²	71	39.4 Å²	39.4	46%	0.461	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-22.4	179.3	-24.2	33.3	0	0	0	112	M781 K787	M781-P783 WeakPolarHBondContact O-CD 3.21Å; M781-P783 VanDerWaalsContact O-N 3.13Å; P783-K787 WeakPolarHBondContact O-CG 3.37Å
784	V	52.8	Low	64.1	Low	25 Å²	25	40.2 Å²	40.2	15%	0.152	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-40.7	-178.2	179.3	0	0	0	0	114.6	D782 L786 K787 T830	D782-V784 PolarHBondContact O-N 2.79Å; D782-V784 WeakPolarHBondContact OD1-CB 2.86Å; D782-V784 WeakPolarHBondContact OD1-CG2 3.3Å; D782-V784 PolarHBondContact OD1-N 3.28Å; V784-L786 PolarHBondContact O-N 2.93Å; V784-K787 PolarHBondContact O-N 3.39Å; V784-T830 HydrophobicContact CB-CG2 4.15Å; V784-T830 HydrophobicContact CG1-CG2 3.41Å; V784-T830 VanDerWaalsContact CG1-CG2 3.41Å; V784-T830 HydrophobicContact CG2-CG2 3.57Å
785	I	52.3	Low	65.1	Low	54 Å²	54	42.6 Å²	42.6	28%	0.277	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.4	-176.9	-68.3	174.5	0	0	0	111.1	D782	D782-I785 HydrophobicContact CB-CD1 4.46Å; D782-I785 HydrophobicContact CB-CG1 4.39Å; D782-I785 PolarHBondContact O-N 3.39Å; D782-I785 VanDerWaalsContact O-N 3.15Å
786	L	55.9	Low	66.2	Low	8 Å²	8	49.6 Å²	49.6	4%	0.042	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	6.7	-179	-63.6	170.7	0	0	0	113.9	W737 L766 Y775 M781 V784 G788 I790	W737-L786 HydrophobicContact CH2-CD2 3.53Å; W737-L786 HydrophobicContact CZ2-CD2 4.06Å; L766-L786 WeakPolarHBondContact CD1-O 3.45Å; L766-L786 HydrophobicContact CD2-CB 4.49Å; L766-L786 WeakPolarHBondContact CG-O 3.41Å; Y775-L786 HydrophobicContact CE1-CB 4.43Å; Y775-L786 HydrophobicContact CE1-CD1 3.33Å; Y775-L786 HydrophobicContact CE2-CD1 4.41Å; Y775-L786 WeakPolarHBondContact OH-CD1 3.47Å; M781-L786 HydrophobicContact CE-CD1 3.7Å; M781-L786 HydrophobicContact CG-CD1 4.36Å; M781-L786 HydrophobicContact SD-CD1 3.55Å; M781-L786 VanDerWaalsContact SD-CD1 3.55Å; M781-L786 HydrophobicContact SD-CG 4.32Å; V784-L786 PolarHBondContact O-N 2.93Å; L786-G788 VanDerWaalsContact C-N 3.28Å; L786-G788 PolarHBondContact O-N 3.07Å; L786-I790 HydrophobicContact CD2-CD1 3.77Å
787	K	66.8	Low	67.1	Low	55 Å²	55	50.3 Å²	50.3	24%	0.239	27%	0.266	C	S	.	.	S	Bend	trans	-70.9	97.3	168.4	-61.1	-172.2	-177	-179.4	0	106.7	M700 L701 P783 V784	M700-K787 HydrophobicContact CB-CB 4.44Å; M700-K787 HydrophobicContact CG-CB 3.77Å; M700-K787 WeakPolarHBondContact CG-O 3.28Å; L701-K787 HydrophobicContact CD2-CB 4.29Å; L701-K787 HydrophobicContact CD2-CD 4.21Å; L701-K787 HydrophobicContact CD2-CG 3.76Å; P783-K787 WeakPolarHBondContact O-CG 3.37Å; V784-K787 PolarHBondContact O-N 3.39Å
788	G	80.7	Confident	68.2	Low	2 Å²	2	49.4 Å²	49.4	2%	0.021	26%	0.263	C	S	.	.	S	Bend	trans	102.3	-162.3	164	0	0	0	0	0	116.5	M700 N764 L786 I790	M700-G788 WeakPolarHBondContact O-CA 3.2Å; M700-G788 PolarHBondContact O-N 2.94Å; N764-G788 PolarHBondContact OD1-O 3.38Å; L786-G788 VanDerWaalsContact C-N 3.28Å; L786-G788 PolarHBondContact O-N 3.07Å; G788-I790 PolarHBondContact O-N 2.64Å
789	P	89.9	Confident	69.6	Low	1 Å²	1	48 Å²	48	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	120.7	-174.7	-19.9	33.8	0	0	0	110.9	I695 I703 Y705 C762 N764 C804 F805	I695-P789 HydrophobicContact CD1-CG 3.69Å; I703-P789 HydrophobicContact CG2-CG 4.12Å; Y705-P789 HydrophobicContact CD1-CB 4.1Å; Y705-P789 HydrophobicContact CD1-CG 4.35Å; Y705-P789 HydrophobicContact CD2-CG 4.25Å; Y705-P789 HydrophobicContact CG-CB 4.01Å; Y705-P789 HydrophobicContact CG-CG 3.75Å; C762-P789 HydrophobicContact CB-CB 3.87Å; N764-P789 HydrophobicContact CB-CG 4.42Å; P789-C804 PolarHBondContact O-N 3.4Å; P789-F805 HydrophobicContact CB-CD2 3.96Å; P789-F805 HydrophobicContact CB-CE2 4.02Å; P789-F805 HydrophobicContact CG-CD2 3.92Å; P789-F805 HydrophobicContact CG-CE2 4.12Å
790	I	88.5	Confident	71.1	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	166.2	176.3	71.3	171	0	0	0	110.6	W737 C762 L763 I765 L786 G788 P801 Q802	W737-I790 HydrophobicContact CH2-CD1 3.75Å; W737-I790 HydrophobicContact CZ3-CD1 4.49Å; C762-I790 WeakPolarHBondContact CA-O 3.49Å; L763-I790 PolarHBondContact N-O 3.03Å; L763-I790 PolarHBondContact O-N 2.97Å; I765-I790 HydrophobicContact CD1-CD1 3.64Å; I765-I790 HydrophobicContact CD1-CG1 4.11Å; I765-I790 HydrophobicContact CG1-CD1 4.24Å; I765-I790 HydrophobicContact CG1-CG1 4.26Å; L786-I790 HydrophobicContact CD2-CD1 3.77Å; G788-I790 PolarHBondContact O-N 2.64Å; I790-P801 HydrophobicContact CD1-CB 4.09Å; I790-Q802 WeakPolarHBondContact CA-O 3.33Å; I790-Q802 WeakPolarHBondContact CB-O 3.23Å
791	C	90.8	Very high	72.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	164.6	161.2	73.6	0	0	0	0	110.5	C718 Q802	C718-C791 VanDerWaalsContact CA-SG 3.58Å; C718-C791 HydrophobicContact CB-CB 3.48Å; C718-C791 VanDerWaalsContact CB-CB 3.48Å; C718-C791 WeakPolarHBondContact CB-SG 3.45Å; C718-C791 WeakPolarHBondContact SG-CB 3.46Å; C718-C791 CovalentContact SG-SG 2.03Å; C718-C791 PolarHBondContact SG-SG 3.03Å; C791-Q802 PolarHBondContact N-O 2.02Å; C791-Q802 PolarHBondContact O-N 3.09Å; C791-Q802 VanDerWaalsContact O-O 3.07Å
792	F	88.4	Confident	74.4	Confident	1 Å²	1	45.5 Å²	45.5	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	140.3	173.5	-71.7	-91.9	0	0	0	109.7	L719 W721 V724 F733 W737 F741 I799 V800 P801	L719-F792 WeakPolarHBondContact CB-O 3.39Å; L719-F792 HydrophobicContact CD1-CB 4.25Å; L719-F792 WeakPolarHBondContact CG-O 3.42Å; L719-F792 PolarHBondContact N-O 2.86Å; W721-F792 AromaticContact CH2-CD2 3.91Å; W721-F792 HydrophobicContact CH2-CD2 3.91Å; W721-F792 AromaticContact CH2-CE2 3.83Å; W721-F792 HydrophobicContact CH2-CE2 3.83Å; W721-F792 AromaticContact CZ3-CD2 3.81Å; W721-F792 HydrophobicContact CZ3-CD2 3.81Å; W721-F792 AromaticContact CZ3-CE2 3.69Å; W721-F792 HydrophobicContact CZ3-CE2 3.69Å; V724-F792 HydrophobicContact CG1-CD2 3.78Å; V724-F792 HydrophobicContact CG1-CE2 4.14Å; V724-F792 HydrophobicContact CG1-CG 4.03Å; V724-F792 HydrophobicContact CG2-CB 3.73Å; V724-F792 HydrophobicContact CG2-CD2 4.1Å; V724-F792 HydrophobicContact CG2-CG 4.06Å; F733-F792 HydrophobicContact CE1-CD1 4.05Å; F733-F792 AromaticContact CE1-CE1 3.46Å; F733-F792 HydrophobicContact CE1-CE1 3.46Å; F733-F792 VanDerWaalsContact CE1-CE1 3.46Å; F733-F792 HydrophobicContact CE1-CZ 4.07Å; F733-F792 AromaticContact CZ-CD1 3.91Å; F733-F792 HydrophobicContact CZ-CD1 3.91Å; F733-F792 AromaticContact CZ-CE1 3.72Å; F733-F792 HydrophobicContact CZ-CE1 3.72Å; F733-F792 HydrophobicContact CZ-CZ 4.28Å; W737-F792 HydrophobicContact CD2-CZ 4.12Å; W737-F792 HydrophobicContact CE3-CZ 4.07Å; W737-F792 AromaticContact CH2-CZ 3.93Å; W737-F792 HydrophobicContact CH2-CZ 3.93Å; W737-F792 HydrophobicContact CZ2-CE1 4.47Å; W737-F792 HydrophobicContact CZ2-CZ 4.08Å; W737-F792 AromaticContact CZ3-CZ 3.95Å; W737-F792 HydrophobicContact CZ3-CZ 3.95Å; F741-F792 HydrophobicContact CE2-CE2 4.24Å; F741-F792 AromaticContact CE2-CZ 3.95Å; F741-F792 HydrophobicContact CE2-CZ 3.95Å; F741-F792 AromaticContact CZ-CE2 3.68Å; F741-F792 HydrophobicContact CZ-CE2 3.68Å; F741-F792 AromaticContact CZ-CZ 3.86Å; F741-F792 HydrophobicContact CZ-CZ 3.86Å; F792-I799 HydrophobicContact CB-CG2 3.99Å; F792-I799 HydrophobicContact CD1-CG2 3.77Å; F792-I799 HydrophobicContact CG-CG2 4.22Å; F792-V800 WeakPolarHBondContact CA-O 3.07Å; F792-P801 HydrophobicContact CD1-CB 4.13Å; F792-P801 HydrophobicContact CE1-CB 3.65Å; F792-P801 HydrophobicContact CE1-CG 4.1Å; F792-P801 HydrophobicContact CZ-CB 3.92Å
793	V	88.9	Confident	76.2	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	158.8	176.2	-58.7	0	0	0	0	109.1	L716 E795 I799 V800 Q802	L716-V793 HydrophobicContact CB-CB 4.02Å; L716-V793 HydrophobicContact CB-CG1 3.8Å; L716-V793 HydrophobicContact CB-CG2 4.44Å; L716-V793 HydrophobicContact CD1-CB 4.24Å; L716-V793 HydrophobicContact CD1-CG2 3.87Å; V793-E795 HydrophobicContact CG2-CB 4.47Å; V793-I799 WeakPolarHBondContact O-CA 3.02Å; V793-V800 HydrophobicContact CG2-CG2 3.88Å; V793-V800 PolarHBondContact N-O 3.06Å; V793-V800 PolarHBondContact O-N 3.46Å; V793-V800 VanDerWaalsContact O-N 3.09Å; V793-Q802 HydrophobicContact CG2-CB 4.35Å; V793-Q802 VanDerWaalsContact CG2-CD 3.4Å; V793-Q802 HydrophobicContact CG2-CG 3.71Å
794	N	86.8	Confident	78.1	Confident	81 Å²	81	42 Å²	42	43%	0.433	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	104.4	168.4	-175	4.4	0	0	0	108.5	L719 D797	L719-N794 HydrophobicContact CD2-CB 4.47Å; N794-D797 WeakPolarHBondContact OD1-CA 3.5Å; N794-D797 PolarHBondContact OD1-N 3.31Å; N794-D797 VanDerWaalsContact OD1-N 3.1Å
795	E	78	Confident	79.9	Confident	81 Å²	81	41.2 Å²	41.2	38%	0.379	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	106.6	176.9	-171.2	168.9	-171.1	0	0	108.6	V793 D797 F798 V800 Q802	V793-E795 HydrophobicContact CG2-CB 4.47Å; E795-D797 VanDerWaalsContact C-N 3.32Å; E795-D797 PolarHBondContact O-N 3.35Å; E795-F798 PolarHBondContact N-O 2.9Å; E795-F798 WeakPolarHBondContact O-CB 3.47Å; E795-F798 PolarHBondContact O-N 3.43Å; E795-V800 HydrophobicContact CB-CG2 3.68Å; E795-V800 WeakPolarHBondContact OE2-CG2 3.33Å; E795-Q802 PolarHBondContact OE2-NE2 3.01Å
796	Q	78.6	Confident	81.6	Confident	162 Å²	162	40.4 Å²	40.4	76%	0.757	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	44.3	178.9	-58.7	163.3	-6.1	0	0	113.3	F798	Q796-F798 VanDerWaalsContact O-CD2 3.23Å; Q796-F798 WeakPolarHBondContact O-CD2 3.24Å; Q796-F798 PolarHBondContact O-N 3.45Å
797	D	72.4	Confident	83.1	Confident	146 Å²	146	40.4 Å²	40.4	78%	0.781	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	6.4	-176	-57.1	-46.6	0	0	0	115.3	N794 E795	N794-D797 WeakPolarHBondContact OD1-CA 3.5Å; N794-D797 PolarHBondContact OD1-N 3.31Å; N794-D797 VanDerWaalsContact OD1-N 3.1Å; E795-D797 VanDerWaalsContact C-N 3.32Å; E795-D797 PolarHBondContact O-N 3.35Å
798	F	73.3	Confident	84.1	Confident	141 Å²	141	37.8 Å²	37.8	62%	0.618	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.1	170.8	-63.4	-80.6	0	0	0	111.2	E795 Q796 V800	E795-F798 PolarHBondContact N-O 2.9Å; E795-F798 WeakPolarHBondContact O-CB 3.47Å; E795-F798 PolarHBondContact O-N 3.43Å; Q796-F798 VanDerWaalsContact O-CD2 3.23Å; Q796-F798 WeakPolarHBondContact O-CD2 3.24Å; Q796-F798 PolarHBondContact O-N 3.45Å; F798-V800 HydrophobicContact CB-CG1 4.17Å; F798-V800 PolarHBondContact O-N 2.94Å
799	I	78.6	Confident	84.4	Confident	25 Å²	25	41 Å²	41	13%	0.128	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	109.4	173	-62.1	-176.2	0	0	0	108.4	L719 Y723 F727 F733 F792 V793	L719-I799 HydrophobicContact CD1-CD1 4.3Å; L719-I799 HydrophobicContact CD1-CG1 4.15Å; L719-I799 HydrophobicContact CD1-CG2 4.05Å; Y723-I799 HydrophobicContact CE1-CD1 3.73Å; F727-I799 HydrophobicContact CB-CD1 4.09Å; F727-I799 HydrophobicContact CD1-CD1 3.76Å; F727-I799 HydrophobicContact CD2-CD1 3.56Å; F727-I799 HydrophobicContact CE1-CB 4.25Å; F727-I799 HydrophobicContact CE1-CD1 3.95Å; F727-I799 HydrophobicContact CE1-CG1 4.38Å; F727-I799 HydrophobicContact CE2-CD1 3.77Å; F727-I799 HydrophobicContact CE2-CG1 4.49Å; F727-I799 HydrophobicContact CG-CD1 3.53Å; F727-I799 HydrophobicContact CZ-CD1 3.95Å; F727-I799 HydrophobicContact CZ-CG1 4.32Å; F733-I799 HydrophobicContact CZ-CG2 3.9Å; F792-I799 HydrophobicContact CB-CG2 3.99Å; F792-I799 HydrophobicContact CD1-CG2 3.77Å; F792-I799 HydrophobicContact CG-CG2 4.22Å; V793-I799 WeakPolarHBondContact O-CA 3.02Å
800	V	75.1	Confident	84.3	Confident	42 Å²	42	41 Å²	41	26%	0.255	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.4	-177.1	-63	0	0	0	0	111.5	F792 V793 E795 F798 Q802	F792-V800 WeakPolarHBondContact CA-O 3.07Å; V793-V800 HydrophobicContact CG2-CG2 3.88Å; V793-V800 PolarHBondContact N-O 3.06Å; V793-V800 PolarHBondContact O-N 3.46Å; V793-V800 VanDerWaalsContact O-N 3.09Å; E795-V800 HydrophobicContact CB-CG2 3.68Å; E795-V800 WeakPolarHBondContact OE2-CG2 3.33Å; F798-V800 HydrophobicContact CB-CG1 4.17Å; F798-V800 PolarHBondContact O-N 2.94Å; V800-Q802 HydrophobicContact CG2-CG 4.49Å
801	P	80.7	Confident	84.4	Confident	32 Å²	32	42.5 Å²	42.5	21%	0.208	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	131.8	173.5	31.3	-33.5	0	0	0	109.7	W737 I790 F792	W737-P801 HydrophobicContact CH2-CB 4.19Å; W737-P801 HydrophobicContact CH2-CG 4.47Å; W737-P801 HydrophobicContact CZ2-CB 3.7Å; W737-P801 HydrophobicContact CZ2-CG 3.52Å; I790-P801 HydrophobicContact CD1-CB 4.09Å; F792-P801 HydrophobicContact CD1-CB 4.13Å; F792-P801 HydrophobicContact CE1-CB 3.65Å; F792-P801 HydrophobicContact CE1-CG 4.1Å; F792-P801 HydrophobicContact CZ-CB 3.92Å
802	Q	83.5	Confident	84.4	Confident	11 Å²	11	43.2 Å²	43.2	5%	0.051	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.7	171.1	-69.9	-171.1	-1.4	0	0	110.4	S712 I790 C791 V793 E795 V800	S712-Q802 PolarHBondContact OG-OE1 2.87Å; I790-Q802 WeakPolarHBondContact CA-O 3.33Å; I790-Q802 WeakPolarHBondContact CB-O 3.23Å; C791-Q802 PolarHBondContact N-O 2.02Å; C791-Q802 PolarHBondContact O-N 3.09Å; C791-Q802 VanDerWaalsContact O-O 3.07Å; V793-Q802 HydrophobicContact CG2-CB 4.35Å; V793-Q802 VanDerWaalsContact CG2-CD 3.4Å; V793-Q802 HydrophobicContact CG2-CG 3.71Å; E795-Q802 PolarHBondContact OE2-NE2 3.01Å; V800-Q802 HydrophobicContact CG2-CG 4.49Å
803	P	87.3	Confident	84.6	Confident	14 Å²	14	44.1 Å²	44.1	9%	0.091	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	153.6	174.1	25.6	-26.4	0	0	0	110.9	S712 V713 F832	S712-P803 WeakPolarHBondContact CA-O 3.39Å; V713-P803 WeakPolarHBondContact CG2-O 3.33Å; V713-P803 PolarHBondContact N-O 3.22Å; P803-F832 HydrophobicContact CB-CZ 4.37Å; P803-F832 HydrophobicContact CG-CE1 3.84Å; P803-F832 HydrophobicContact CG-CE2 3.92Å; P803-F832 HydrophobicContact CG-CZ 3.17Å
804	C	90.8	Very high	84.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-101.8	-17.6	-179.5	-64.9	0	0	0	0	114.4	K709 C762 P789	K709-C804 HydrophobicContact CG-CB 4.08Å; K709-C804 PolarHBondContact NZ-O 2.86Å; C762-C804 HydrophobicContact CB-CB 3.61Å; C762-C804 WeakPolarHBondContact CB-SG 3.27Å; C762-C804 WeakPolarHBondContact SG-CB 3.18Å; C762-C804 CovalentContact SG-SG 2Å; C762-C804 PolarHBondContact SG-SG 2.84Å; P789-C804 PolarHBondContact O-N 3.4Å
805	F	90.3	Very high	84.9	Confident	8 Å²	8	48.6 Å²	48.6	4%	0.035	24%	0.241	C	C	.	.			trans	-132.4	143.1	-178.4	-59.5	-76.5	0	0	0	109.9	L692 I695 M700 Y705 K709 P789	L692-F805 HydrophobicContact CB-CE1 4.12Å; L692-F805 HydrophobicContact CB-CZ 4.44Å; L692-F805 VanDerWaalsContact O-CE1 3.26Å; L692-F805 WeakPolarHBondContact O-CE1 3.41Å; I695-F805 HydrophobicContact CD1-CB 3.95Å; I695-F805 HydrophobicContact CD1-CD2 3.48Å; I695-F805 VanDerWaalsContact CD1-CD2 3.48Å; I695-F805 HydrophobicContact CD1-CE2 4.1Å; I695-F805 HydrophobicContact CD1-CG 3.72Å; I695-F805 HydrophobicContact CG1-CB 4.24Å; I695-F805 HydrophobicContact CG1-CD2 4.39Å; I695-F805 HydrophobicContact CG1-CG 4.18Å; M700-F805 HydrophobicContact CE-CB 4.5Å; Y705-F805 HydrophobicContact CD1-CE2 4.4Å; Y705-F805 AromaticContact CD2-CE2 3.91Å; Y705-F805 HydrophobicContact CD2-CE2 3.91Å; Y705-F805 HydrophobicContact CD2-CZ 4.24Å; Y705-F805 HydrophobicContact CE1-CE2 4.11Å; Y705-F805 HydrophobicContact CE1-CZ 4.31Å; Y705-F805 AromaticContact CE2-CE2 3.59Å; Y705-F805 HydrophobicContact CE2-CE2 3.59Å; Y705-F805 AromaticContact CE2-CZ 3.47Å; Y705-F805 HydrophobicContact CE2-CZ 3.47Å; Y705-F805 VanDerWaalsContact CE2-CZ 3.47Å; Y705-F805 HydrophobicContact CG-CE2 4.31Å; Y705-F805 AromaticContact CZ-CE2 3.7Å; Y705-F805 AromaticContact CZ-CZ 3.52Å; K709-F805 HydrophobicContact CB-CE1 4.23Å; K709-F805 HydrophobicContact CB-CE2 4.18Å; K709-F805 HydrophobicContact CB-CZ 3.5Å; K709-F805 VanDerWaalsContact CB-CZ 3.5Å; K709-F805 HydrophobicContact CD-CE1 4.35Å; K709-F805 HydrophobicContact CD-CZ 4.41Å; K709-F805 HydrophobicContact CG-CE1 3.97Å; K709-F805 HydrophobicContact CG-CE2 4.18Å; K709-F805 HydrophobicContact CG-CZ 3.59Å; P789-F805 HydrophobicContact CB-CD2 3.96Å; P789-F805 HydrophobicContact CB-CE2 4.02Å; P789-F805 HydrophobicContact CG-CD2 3.92Å; P789-F805 HydrophobicContact CG-CE2 4.12Å
806	L	88	Confident	85.6	Confident	37 Å²	37	45.4 Å²	45.4	19%	0.194	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	157.3	161.2	-70.5	169.9	0	0	0	108.9	C694 I695 V713 M811 F832	C694-L806 WeakPolarHBondContact CA-O 3.42Å; I695-L806 PolarHBondContact N-O 2.65Å; V713-L806 HydrophobicContact CG1-CD1 4.24Å; V713-L806 HydrophobicContact CG1-CD2 4Å; V713-L806 HydrophobicContact CG1-CG 3.86Å; V713-L806 HydrophobicContact CG2-CG 4.29Å; L806-M811 HydrophobicContact CB-CB 4.46Å; L806-F832 HydrophobicContact CD2-CD2 3.83Å; L806-F832 HydrophobicContact CD2-CE2 3.55Å
807	T	87.6	Confident	86.2	Confident	7 Å²	7	41.1 Å²	41.1	4%	0.043	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	148.3	164.6	68.1	0	0	0	0	109.4	I695 R697 M700 E809 D810 M811	I695-T807 WeakPolarHBondContact O-CA 3.42Å; R697-T807 HydrophobicContact CB-CG2 4.26Å; M700-T807 HydrophobicContact CE-CG2 3.57Å; T807-E809 WeakPolarHBondContact CB-OE2 3.19Å; T807-E809 PolarHBondContact O-N 3.18Å; T807-D810 PolarHBondContact O-N 3.07Å; T807-D810 VanDerWaalsContact O-N 3.12Å; T807-D810 VanDerWaalsContact OG1-CB 3.31Å; T807-D810 WeakPolarHBondContact OG1-CB 3.47Å; T807-D810 PolarHBondContact OG1-N 3.43Å; T807-D810 PolarHBondContact OG1-OD2 2.97Å; T807-M811 PolarHBondContact O-N 3.44Å
808	C	87.8	Confident	87.2	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.007	17%	0.174	C	C	.	.	H	α-helix	trans	-61.2	-32.2	177.7	-63.3	0	0	0	0	111.7	C694 I695 D696 S812 H903 E905	C694-C808 HydrophobicContact CB-CB 3.91Å; C694-C808 WeakPolarHBondContact CB-SG 3.28Å; C694-C808 WeakPolarHBondContact SG-CA 3.41Å; C694-C808 WeakPolarHBondContact SG-CB 3.38Å; C694-C808 CovalentContact SG-SG 2.04Å; C694-C808 PolarHBondContact SG-SG 2.98Å; I695-C808 PolarHBondContact O-N 3.02Å; I695-C808 VanDerWaalsContact O-N 3.14Å; D696-C808 WeakPolarHBondContact OD1-CB 3.41Å; D696-C808 PolarHBondContact OD1-SG 3.04Å; D696-C808 VanDerWaalsContact OD1-SG 3.41Å; C808-S812 WeakPolarHBondContact O-CB 3.28Å; C808-S812 PolarHBondContact O-N 3.36Å; C808-S812 PolarHBondContact O-OG 3.29Å; C808-H903 HydrophobicContact CB-CB 4.37Å; C808-E905 PolarHBondContact SG-N 3.02Å; C808-E905 VanDerWaalsContact SG-N 3.38Å
809	E	87.4	Confident	88.1	Confident	69 Å²	69	28.1 Å²	28.1	32%	0.322	15%	0.146	S	C	.	.	H	α-helix	trans	-64.4	-47	171.7	-60.2	88.5	165.3	0	0	112	R697 T807 M811 S812 I813	R697-E809 PolarHBondContact N-OE2 2.91Å; T807-E809 WeakPolarHBondContact CB-OE2 3.19Å; T807-E809 PolarHBondContact O-N 3.18Å; E809-M811 PolarHBondContact O-N 3.22Å; E809-S812 WeakPolarHBondContact O-CB 2.96Å; E809-S812 PolarHBondContact O-N 3.22Å; E809-I813 VanDerWaalsContact O-CG1 3.31Å; E809-I813 WeakPolarHBondContact O-CG1 3.38Å; E809-I813 PolarHBondContact O-N 3.49Å
810	D	88.8	Confident	88.6	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.011	16%	0.156	C	C	.	.	H	α-helix	trans	-64.1	-41.3	178.1	-66.3	-32.9	0	0	0	111.8	T807 S812 I813 E814 Y829 T830 G831	T807-D810 PolarHBondContact O-N 3.07Å; T807-D810 VanDerWaalsContact O-N 3.12Å; T807-D810 VanDerWaalsContact OG1-CB 3.31Å; T807-D810 WeakPolarHBondContact OG1-CB 3.47Å; T807-D810 PolarHBondContact OG1-N 3.43Å; T807-D810 PolarHBondContact OG1-OD2 2.97Å; D810-S812 VanDerWaalsContact C-N 3.28Å; D810-S812 PolarHBondContact O-N 3.1Å; D810-I813 PolarHBondContact O-N 3.06Å; D810-I813 VanDerWaalsContact O-N 3.17Å; D810-E814 WeakPolarHBondContact O-CG 3.32Å; D810-E814 PolarHBondContact O-N 2.88Å; D810-Y829 HydrophobicContact CB-CD2 4.41Å; D810-Y829 HydrophobicContact CB-CE2 4.31Å; D810-Y829 WeakPolarHBondContact OD1-CA 3.5Å; D810-Y829 WeakPolarHBondContact OD1-CD2 3.03Å; D810-T830 PolarHBondContact OD1-N 2.72Å; D810-T830 PolarHBondContact OD1-OG1 3.42Å; D810-T830 VanDerWaalsContact OD2-C 3.31Å; D810-T830 WeakPolarHBondContact OD2-CA 3.48Å; D810-T830 WeakPolarHBondContact OD2-CB 3.48Å; D810-T830 PolarHBondContact OD2-N 2.92Å; D810-T830 PolarHBondContact OD2-OG1 2.02Å; D810-G831 PolarHBondContact OD2-N 3.03Å
811	M	89.9	Confident	89.2	Confident	32 Å²	32	37.1 Å²	37.1	16%	0.158	18%	0.177	C	C	.	.	H	α-helix	trans	-60.8	-40.8	176.9	-168.3	164.7	74.5	0	0	111	C694 L806 T807 E809 E814 E815 H903	C694-M811 HydrophobicContact CB-CE 3.52Å; C694-M811 HydrophobicContact CB-SD 3.99Å; C694-M811 WeakPolarHBondContact SG-CE 3.43Å; L806-M811 HydrophobicContact CB-CB 4.46Å; T807-M811 PolarHBondContact O-N 3.44Å; E809-M811 PolarHBondContact O-N 3.22Å; M811-E814 PolarHBondContact O-N 3.2Å; M811-E815 WeakPolarHBondContact O-CB 3.49Å; M811-E815 PolarHBondContact O-N 3.45Å; M811-H903 HydrophobicContact CE-CB 3.52Å
812	S	91.2	Very high	89.5	Confident	14 Å²	14	40.2 Å²	40.2	10%	0.098	21%	0.206	C	C	.	.	H	α-helix	trans	-64.3	-41.8	174.3	-55.5	0	0	0	0	111.9	C808 E809 D810 N816 H903	C808-S812 WeakPolarHBondContact O-CB 3.28Å; C808-S812 PolarHBondContact O-N 3.36Å; C808-S812 PolarHBondContact O-OG 3.29Å; E809-S812 WeakPolarHBondContact O-CB 2.96Å; E809-S812 PolarHBondContact O-N 3.22Å; D810-S812 VanDerWaalsContact C-N 3.28Å; D810-S812 PolarHBondContact O-N 3.1Å; S812-N816 VanDerWaalsContact O-CB 3.28Å; S812-N816 WeakPolarHBondContact O-CB 3.41Å; S812-N816 VanDerWaalsContact O-CG 3.29Å; S812-N816 PolarHBondContact O-N 3.15Å; S812-N816 PolarHBondContact O-ND2 2.78Å; S812-H903 PolarHBondContact OG-N 2.86Å
813	I	91.4	Very high	89.7	Confident	20 Å²	20	42.4 Å²	42.4	10%	0.103	22%	0.22	C	C	.	.	H	α-helix	trans	-65.4	-43.8	178.1	-69.1	165.3	0	0	0	110.9	E809 D810 N817 I819 T827 Y829 F891	E809-I813 VanDerWaalsContact O-CG1 3.31Å; E809-I813 WeakPolarHBondContact O-CG1 3.38Å; E809-I813 PolarHBondContact O-N 3.49Å; D810-I813 PolarHBondContact O-N 3.06Å; D810-I813 VanDerWaalsContact O-N 3.17Å; I813-N817 WeakPolarHBondContact O-CA 3.4Å; I813-N817 PolarHBondContact O-N 3.47Å; I813-I819 HydrophobicContact CG1-CG1 4.43Å; I813-I819 HydrophobicContact CG2-CD1 4.3Å; I813-I819 HydrophobicContact CG2-CG1 3.94Å; I813-T827 HydrophobicContact CD1-CG2 3.66Å; I813-Y829 HydrophobicContact CB-CD2 4.48Å; I813-Y829 HydrophobicContact CD1-CD2 4.3Å; I813-Y829 HydrophobicContact CG2-CD2 4.11Å; I813-Y829 HydrophobicContact CG2-CE2 4.42Å; I813-F891 HydrophobicContact CG2-CD1 3.84Å; I813-F891 HydrophobicContact CG2-CD2 4.31Å; I813-F891 HydrophobicContact CG2-CE1 3.6Å; I813-F891 HydrophobicContact CG2-CE2 4.09Å; I813-F891 HydrophobicContact CG2-CG 4.18Å; I813-F891 HydrophobicContact CG2-CZ 3.73Å
814	E	91	Very high	89.7	Confident	60 Å²	60	42.8 Å²	42.8	28%	0.28	22%	0.221	S	C	.	.	H	α-helix	trans	-64.1	-46.7	178.9	-74.2	-58.1	154.6	0	0	112.2	D810 M811 N817 Y829 R833	D810-E814 WeakPolarHBondContact O-CG 3.32Å; D810-E814 PolarHBondContact O-N 2.88Å; M811-E814 PolarHBondContact O-N 3.2Å; E814-N817 PolarHBondContact O-N 3.28Å; E814-N817 VanDerWaalsContact O-N 3.16Å; E814-Y829 HydrophobicContact CG-CE2 4.35Å; E814-Y829 VanDerWaalsContact OE1-CE2 3.24Å; E814-Y829 WeakPolarHBondContact OE1-CE2 2.99Å; E814-Y829 PolarHBondContact OE1-OH 3.11Å; E814-R833 IonicContact OE2-NH1 3.06Å
815	E	91.7	Very high	89.3	Confident	116 Å²	116	46.9 Å²	46.9	54%	0.542	24%	0.24	S	C	.	.	H	α-helix	trans	-68.7	-38.6	-179.2	-171	168.5	170.4	0	0	112.2	M811 N817 H903	M811-E815 WeakPolarHBondContact O-CB 3.49Å; M811-E815 PolarHBondContact O-N 3.45Å; E815-N817 VanDerWaalsContact C-N 3.27Å; E815-N817 PolarHBondContact O-N 2.8Å; E815-H903 IonicContact OE2-CD2 2.83Å; E815-H903 IonicContact OE2-CE1 3.51Å; E815-H903 PolarHBondContact OE2-CE1 2.85Å; E815-H903 IonicContact OE2-NE2 3.68Å; E815-H903 PolarHBondContact OE2-NE2 3.19Å
816	N	92.3	Very high	88.9	Confident	15 Å²	15	50.9 Å²	50.9	8%	0.08	27%	0.265	C	S	.	.	H	α-helix	trans	-71.4	-25.2	172.9	-71.7	-51.5	0	0	0	112.6	S812 C818 K898 L900 V901	S812-N816 VanDerWaalsContact O-CB 3.28Å; S812-N816 WeakPolarHBondContact O-CB 3.41Å; S812-N816 VanDerWaalsContact O-CG 3.29Å; S812-N816 PolarHBondContact O-N 3.15Å; S812-N816 PolarHBondContact O-ND2 2.78Å; N816-C818 PolarHBondContact O-N 2.75Å; N816-C818 VanDerWaalsContact O-N 3.14Å; N816-K898 PolarHBondContact O-NZ 2.97Å; N816-L900 HydrophobicContact CB-CD2 4.48Å; N816-L900 WeakPolarHBondContact OD1-CA 3.05Å; N816-V901 PolarHBondContact ND2-O 3.14Å; N816-V901 PolarHBondContact OD1-N 2.84Å
817	N	91.7	Very high	88.7	Confident	71 Å²	71	49.9 Å²	49.9	38%	0.38	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	28.7	-171.8	-172.6	51.2	0	0	0	113.2	I813 E814 E815 R833	I813-N817 WeakPolarHBondContact O-CA 3.4Å; I813-N817 PolarHBondContact O-N 3.47Å; E814-N817 PolarHBondContact O-N 3.28Å; E814-N817 VanDerWaalsContact O-N 3.16Å; E815-N817 VanDerWaalsContact C-N 3.27Å; E815-N817 PolarHBondContact O-N 2.8Å; N817-R833 VanDerWaalsContact OD1-CZ 3.3Å; N817-R833 PolarHBondContact OD1-NH1 3.48Å; N817-R833 PolarHBondContact OD1-NH2 3.33Å
818	C	92.8	Very high	88.3	Confident	8 Å²	8	52.8 Å²	52.8	5%	0.054	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	162.6	178.9	67.5	0	0	0	0	110.6	N816 D892 C894	N816-C818 PolarHBondContact O-N 2.75Å; N816-C818 VanDerWaalsContact O-N 3.14Å; C818-D892 CarbonylContact C-O 3.49Å; C818-D892 WeakPolarHBondContact CA-O 3.25Å; C818-D892 HydrophobicContact CB-CB 4.47Å; C818-D892 VanDerWaalsContact CB-O 3.25Å; C818-D892 WeakPolarHBondContact CB-O 3.39Å; C818-C894 HydrophobicContact CB-CB 4.02Å; C818-C894 WeakPolarHBondContact CB-SG 3.47Å; C818-C894 PolarHBondContact O-SG 2.82Å; C818-C894 WeakPolarHBondContact SG-CA 3.38Å; C818-C894 WeakPolarHBondContact SG-CB 3.33Å; C818-C894 CovalentContact SG-SG 2.05Å; C818-C894 PolarHBondContact SG-SG 3.43Å
819	I	91.4	Very high	88.2	Confident	7 Å²	7	52.9 Å²	52.9	4%	0.036	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141.8	179.2	-61.7	168.6	0	0	0	109.8	I813 I824 T827 P876 F891 D892 V893 C894	I813-I819 HydrophobicContact CG1-CG1 4.43Å; I813-I819 HydrophobicContact CG2-CD1 4.3Å; I813-I819 HydrophobicContact CG2-CG1 3.94Å; I819-I824 HydrophobicContact CG2-CB 4.27Å; I819-I824 HydrophobicContact CG2-CG1 4.38Å; I819-T827 HydrophobicContact CD1-CG2 4Å; I819-T827 HydrophobicContact CG1-CG2 4.48Å; I819-T827 HydrophobicContact CG2-CG2 4.14Å; I819-T827 VanDerWaalsContact CG2-OG1 3.32Å; I819-T827 WeakPolarHBondContact CG2-OG1 2.96Å; I819-P876 HydrophobicContact CD1-CG 3.58Å; I819-F891 HydrophobicContact CD1-CB 3.77Å; I819-F891 HydrophobicContact CD1-CD2 3.71Å; I819-F891 HydrophobicContact CD1-CG 3.92Å; I819-F891 HydrophobicContact CG1-CB 3.96Å; I819-F891 HydrophobicContact CG1-CD2 4.49Å; I819-F891 HydrophobicContact CG1-CG 4.25Å; I819-D892 PolarHBondContact N-O 2.75Å; I819-V893 CarbonylContact O-C 3.34Å; I819-V893 WeakPolarHBondContact O-CA 3.28Å; I819-C894 PolarHBondContact N-SG 3.03Å; I819-C894 VanDerWaalsContact N-SG 3.43Å; I819-C894 PolarHBondContact O-N 2.66Å
820	E	90.5	Very high	87.7	Confident	69 Å²	69	50 Å²	50	32%	0.322	27%	0.266	S	S	.	.			trans	-65.3	137.8	179.3	-67.9	179	-117.6	0	0	111.7	A822 T823 I824 L900 R902	E820-A822 PolarHBondContact O-N 3.22Å; E820-T823 PolarHBondContact O-N 2.55Å; E820-T823 VanDerWaalsContact O-N 3.12Å; E820-T823 PolarHBondContact O-OG1 2.69Å; E820-I824 PolarHBondContact O-N 2.89Å; E820-L900 HydrophobicContact CG-CD1 3.37Å; E820-L900 WeakPolarHBondContact OE1-CD1 3.5Å; E820-R902 VanDerWaalsContact CD-NH2 3.26Å; E820-R902 IonicContact OE1-CZ 3Å; E820-R902 IonicContact OE1-NE 2.7Å; E820-R902 IonicContact OE1-NH2 3.65Å; E820-R902 PolarHBondContact OE1-NH2 3.06Å; E820-R902 IonicContact OE2-NH2 2.72Å; E820-R902 PolarHBondContact OE2-NH2 2.89Å
821	R	87.6	Confident	87.3	Confident	186 Å²	186	49.9 Å²	49.9	70%	0.702	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-35.7	-177.3	-172.9	173.9	-79.1	-154.3	-3.8	112.8	T823 I824 V893	R821-T823 VanDerWaalsContact C-N 3.29Å; R821-T823 PolarHBondContact O-N 2.02Å; R821-I824 WeakPolarHBondContact O-CG2 3.48Å; R821-V893 HydrophobicContact CB-CG1 3.63Å; R821-V893 HydrophobicContact CG-CG1 4.23Å
822	A	86.7	Confident	86.9	Confident	98 Å²	98	50.2 Å²	50.2	81%	0.81	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-27	-178.3	0	0	0	0	0	113.3	E820	E820-A822 PolarHBondContact O-N 3.22Å
823	T	87.6	Confident	86.8	Confident	57 Å²	57	51.4 Å²	51.4	35%	0.35	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-1.3	-174.6	59	0	0	0	0	112.9	E820 R821 Q825 T826 T827	E820-T823 PolarHBondContact O-N 2.55Å; E820-T823 VanDerWaalsContact O-N 3.12Å; E820-T823 PolarHBondContact O-OG1 2.69Å; R821-T823 VanDerWaalsContact C-N 3.29Å; R821-T823 PolarHBondContact O-N 2.02Å; T823-Q825 VanDerWaalsContact C-N 3.32Å; T823-Q825 PolarHBondContact O-N 3.38Å; T823-T826 CarbonylContact O-C 3.51Å; T823-T826 PolarHBondContact O-N 3.49Å; T823-T826 PolarHBondContact O-OG1 3.25Å; T823-T827 WeakPolarHBondContact O-CB 3.48Å; T823-T827 PolarHBondContact O-N 3.09Å; T823-T827 PolarHBondContact O-OG1 3.32Å
824	I	87	Confident	86.7	Confident	22 Å²	22	53.6 Å²	53.6	11%	0.113	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-46.9	-172	-168.8	162.7	0	0	0	113.3	I819 E820 R821 T826 T827 G875 V893	I819-I824 HydrophobicContact CG2-CB 4.27Å; I819-I824 HydrophobicContact CG2-CG1 4.38Å; E820-I824 PolarHBondContact O-N 2.89Å; R821-I824 WeakPolarHBondContact O-CG2 3.48Å; I824-T826 PolarHBondContact O-N 2.83Å; I824-T827 PolarHBondContact O-N 3.1Å; I824-G875 VanDerWaalsContact O-CA 3.23Å; I824-G875 WeakPolarHBondContact O-CA 3.25Å; I824-V893 HydrophobicContact CD1-CG2 3.77Å
825	Q	83.1	Confident	86.7	Confident	86 Å²	86	53.1 Å²	53.1	40%	0.402	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-38.4	179.7	-77.7	171.7	-1.1	0	0	112.6	T823 N868 D871 E873	T823-Q825 VanDerWaalsContact C-N 3.32Å; T823-Q825 PolarHBondContact O-N 3.38Å; Q825-N868 PolarHBondContact O-ND2 3.18Å; Q825-D871 VanDerWaalsContact O-CA 3.26Å; Q825-D871 WeakPolarHBondContact O-CA 3.19Å; Q825-E873 HydrophobicContact CG-CB 4.39Å; Q825-E873 HydrophobicContact CG-CG 4.43Å
826	T	81.8	Confident	86.8	Confident	92 Å²	92	47.6 Å²	47.6	56%	0.564	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-0.4	-176.9	58	0	0	0	0	113.3	T823 I824 V828	T823-T826 CarbonylContact O-C 3.51Å; T823-T826 PolarHBondContact O-N 3.49Å; T823-T826 PolarHBondContact O-OG1 3.25Å; I824-T826 PolarHBondContact O-N 2.83Å; T826-V828 PolarHBondContact O-N 3.21Å
827	T	83.8	Confident	86.8	Confident	16 Å²	16	52 Å²	52	10%	0.098	27%	0.274	C	S	.	.			trans	-71.3	107.8	-179.3	-64.8	0	0	0	0	109.1	I813 I819 T823 I824 N868 P876	I813-T827 HydrophobicContact CD1-CG2 3.66Å; I819-T827 HydrophobicContact CD1-CG2 4Å; I819-T827 HydrophobicContact CG1-CG2 4.48Å; I819-T827 HydrophobicContact CG2-CG2 4.14Å; I819-T827 VanDerWaalsContact CG2-OG1 3.32Å; I819-T827 WeakPolarHBondContact CG2-OG1 2.96Å; T823-T827 WeakPolarHBondContact O-CB 3.48Å; T823-T827 PolarHBondContact O-N 3.09Å; T823-T827 PolarHBondContact O-OG1 3.32Å; I824-T827 PolarHBondContact O-N 3.1Å; T827-N868 WeakPolarHBondContact O-CB 3.44Å; T827-N868 PolarHBondContact O-ND2 3.36Å; T827-P876 HydrophobicContact CG2-CG 4.33Å
828	V	79.6	Confident	86.6	Confident	68 Å²	68	52.8 Å²	52.8	41%	0.412	28%	0.281	S	S	.	.			trans	-81.5	122.4	164.1	-176.6	0	0	0	0	106.7	R697 T826 T830	R697-V828 PolarHBondContact NH2-O 3.11Å; T826-V828 PolarHBondContact O-N 3.21Å; V828-T830 HydrophobicContact CG1-CG2 4.15Å
829	Y	84.2	Confident	86.4	Confident	2 Å²	2	63 Å²	63	1%	0.008	32%	0.319	C	S	.	.			trans	-116.2	125.8	174.6	167.1	-95.8	0	0	0	108.4	D810 I813 E814 G831 F832 R833 C866 R867 P876 F891	D810-Y829 HydrophobicContact CB-CD2 4.41Å; D810-Y829 HydrophobicContact CB-CE2 4.31Å; D810-Y829 WeakPolarHBondContact OD1-CA 3.5Å; D810-Y829 WeakPolarHBondContact OD1-CD2 3.03Å; I813-Y829 HydrophobicContact CB-CD2 4.48Å; I813-Y829 HydrophobicContact CD1-CD2 4.3Å; I813-Y829 HydrophobicContact CG2-CD2 4.11Å; I813-Y829 HydrophobicContact CG2-CE2 4.42Å; E814-Y829 HydrophobicContact CG-CE2 4.35Å; E814-Y829 VanDerWaalsContact OE1-CE2 3.24Å; E814-Y829 WeakPolarHBondContact OE1-CE2 2.99Å; E814-Y829 PolarHBondContact OE1-OH 3.11Å; Y829-G831 VanDerWaalsContact OH-CA 3.28Å; Y829-G831 WeakPolarHBondContact OH-CA 3.48Å; Y829-F832 PolarHBondContact OH-N 2.81Å; Y829-F832 VanDerWaalsContact OH-N 3.1Å; Y829-R833 HydrophobicContact CE1-CB 4.1Å; Y829-R833 WeakPolarHBondContact OH-CB 3.04Å; Y829-R833 PolarHBondContact OH-N 3.16Å; Y829-C866 HydrophobicContact CD1-CB 4.39Å; Y829-C866 VanDerWaalsContact CD1-O 3.26Å; Y829-C866 WeakPolarHBondContact CD1-O 3.33Å; Y829-C866 HydrophobicContact CE1-CB 4.27Å; Y829-R867 WeakPolarHBondContact O-CD 3.47Å; Y829-P876 VanDerWaalsContact CB-CG 3.47Å; Y829-P876 HydrophobicContact CD1-CB 4.28Å; Y829-P876 HydrophobicContact CG-CB 4.34Å; Y829-P876 HydrophobicContact CG-CG 4.25Å; Y829-F891 HydrophobicContact CD1-CE2 4.06Å; Y829-F891 HydrophobicContact CD1-CZ 4.44Å; Y829-F891 HydrophobicContact CD2-CE2 4Å; Y829-F891 AromaticContact CD2-CZ 3.94Å; Y829-F891 HydrophobicContact CD2-CZ 3.94Å; Y829-F891 HydrophobicContact CE1-CE2 4.15Å; Y829-F891 HydrophobicContact CE1-CZ 4.16Å; Y829-F891 HydrophobicContact CE2-CE2 4.07Å; Y829-F891 AromaticContact CE2-CZ 3.58Å; Y829-F891 HydrophobicContact CE2-CZ 3.58Å; Y829-F891 AromaticContact CG-CE2 3.99Å; Y829-F891 HydrophobicContact CG-CE2 3.99Å; Y829-F891 HydrophobicContact CG-CZ 4.35Å; Y829-F891 AromaticContact CZ-CZ 3.72Å
830	T	76.8	Confident	86.4	Confident	9 Å²	9	65.1 Å²	65.1	6%	0.055	33%	0.332	C	S	.	.			trans	-114	2.4	-174.1	41.6	0	0	0	0	113.7	V784 D810 V828	V784-T830 HydrophobicContact CB-CG2 4.15Å; V784-T830 HydrophobicContact CG1-CG2 3.41Å; V784-T830 VanDerWaalsContact CG1-CG2 3.41Å; V784-T830 HydrophobicContact CG2-CG2 3.57Å; D810-T830 PolarHBondContact OD1-N 2.72Å; D810-T830 PolarHBondContact OD1-OG1 3.42Å; D810-T830 VanDerWaalsContact OD2-C 3.31Å; D810-T830 WeakPolarHBondContact OD2-CA 3.48Å; D810-T830 WeakPolarHBondContact OD2-CB 3.48Å; D810-T830 PolarHBondContact OD2-N 2.92Å; D810-T830 PolarHBondContact OD2-OG1 2.02Å; V828-T830 HydrophobicContact CG1-CG2 4.15Å
831	G	81.8	Confident	86.4	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.343	C	S	.	.	S	Bend	trans	-73.2	-170	178.5	0	0	0	0	0	114.9	D810 Y829 R867	D810-G831 PolarHBondContact OD2-N 3.03Å; Y829-G831 VanDerWaalsContact OH-CA 3.28Å; Y829-G831 WeakPolarHBondContact OH-CA 3.48Å; G831-R867 PolarHBondContact O-NH1 3.05Å; G831-R867 PolarHBondContact O-NH2 3.08Å; G831-R867 VanDerWaalsContact O-NH2 3.13Å
832	F	82	Confident	86.5	Confident	38 Å²	38	55.9 Å²	55.9	17%	0.167	31%	0.312	C	S	.	.			trans	-109.3	16.4	-168.1	-52.4	-73.7	0	0	0	114.5	V713 H714 P803 L806 Y829 N834 Y865	V713-F832 HydrophobicContact CB-CE2 4.18Å; V713-F832 HydrophobicContact CG1-CD2 3.91Å; V713-F832 HydrophobicContact CG1-CE2 3.89Å; V713-F832 HydrophobicContact CG2-CE2 4.29Å; H714-F832 AromaticContact CE1-CG 3.8Å; H714-F832 AromaticContact NE2-CG 3.78Å; P803-F832 HydrophobicContact CB-CZ 4.37Å; P803-F832 HydrophobicContact CG-CE1 3.84Å; P803-F832 HydrophobicContact CG-CE2 3.92Å; P803-F832 HydrophobicContact CG-CZ 3.17Å; L806-F832 HydrophobicContact CD2-CD2 3.83Å; L806-F832 HydrophobicContact CD2-CE2 3.55Å; Y829-F832 PolarHBondContact OH-N 2.81Å; Y829-F832 VanDerWaalsContact OH-N 3.1Å; F832-N834 PolarHBondContact O-N 3.08Å; F832-Y865 VanDerWaalsContact C-CD1 3.45Å; F832-Y865 HydrophobicContact CB-CD1 4.2Å; F832-Y865 HydrophobicContact CB-CE1 3.98Å; F832-Y865 HydrophobicContact CD1-CD2 4.37Å; F832-Y865 HydrophobicContact CD1-CE1 4.41Å; F832-Y865 HydrophobicContact CD1-CE2 4.01Å; F832-Y865 WeakPolarHBondContact O-CD1 3.36Å; F832-Y865 VanDerWaalsContact O-CE1 3.32Å; F832-Y865 WeakPolarHBondContact O-CE1 3.26Å
833	R	88.4	Confident	86.5	Confident	39 Å²	39	52.4 Å²	52.4	15%	0.147	28%	0.28	C	S	.	.			trans	-65.3	126	177.2	-172.6	177.1	-173.3	122.4	-16.1	110.5	E814 N817 Y829 T835 Y865 C866 C890 F891	E814-R833 IonicContact OE2-NH1 3.06Å; N817-R833 VanDerWaalsContact OD1-CZ 3.3Å; N817-R833 PolarHBondContact OD1-NH1 3.48Å; N817-R833 PolarHBondContact OD1-NH2 3.33Å; Y829-R833 HydrophobicContact CE1-CB 4.1Å; Y829-R833 WeakPolarHBondContact OH-CB 3.04Å; Y829-R833 PolarHBondContact OH-N 3.16Å; R833-T835 PolarHBondContact NE-O 3.38Å; R833-Y865 CarbonylContact O-C 3.56Å; R833-Y865 VanDerWaalsContact O-CA 3.3Å; R833-Y865 WeakPolarHBondContact O-CA 3.45Å; R833-C866 WeakPolarHBondContact O-CB 3.32Å; R833-C866 PolarHBondContact O-N 2.8Å; R833-C866 PolarHBondContact O-SG 3.43Å; R833-C890 PolarHBondContact NE-O 3.04Å; R833-C890 PolarHBondContact NH2-O 3.38Å; R833-F891 HydrophobicContact CB-CZ 4.25Å; R833-F891 VanDerWaalsContact CD-CE1 3.41Å; R833-F891 HydrophobicContact CG-CZ 4.41Å
834	N	89.3	Confident	86	Confident	67 Å²	67	54 Å²	54	36%	0.358	28%	0.279	S	S	.	.			trans	-123	23.6	178.6	64.2	-3	0	0	0	112.3	F832 C842 Y865	F832-N834 PolarHBondContact O-N 3.08Å; N834-C842 VanDerWaalsContact O-CB 3.3Å; N834-C842 WeakPolarHBondContact O-CB 3.25Å; N834-C842 PolarHBondContact O-N 3.05Å; N834-C842 PolarHBondContact O-SG 3.09Å; N834-Y865 HydrophobicContact CB-CD1 4.06Å; N834-Y865 HydrophobicContact CB-CE1 4.49Å
835	T	91.6	Very high	85.4	Confident	49 Å²	49	53.4 Å²	53.4	30%	0.301	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-131	143.6	177.1	54.3	0	0	0	0	110.8	R833 T840	R833-T835 PolarHBondContact NE-O 3.38Å; T835-T840 WeakPolarHBondContact CA-O 3.31Å
836	T	93.2	Very high	84.6	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.269	C	S	.	.			trans	-72.3	173.2	177.9	67.2	0	0	0	0	111.8	T838 R839 T840 V880 K888 A889	T836-T838 PolarHBondContact O-N 3.24Å; T836-T838 PolarHBondContact OG1-N 2.86Å; T836-T838 PolarHBondContact OG1-OG1 3.47Å; T836-R839 WeakPolarHBondContact O-CA 3.25Å; T836-R839 PolarHBondContact O-N 2.83Å; T836-R839 PolarHBondContact OG1-N 3.33Å; T836-T840 WeakPolarHBondContact CB-OG1 3.44Å; T836-T840 WeakPolarHBondContact CG2-OG1 3.07Å; T836-T840 PolarHBondContact N-O 3.32Å; T836-T840 PolarHBondContact OG1-N 2.7Å; T836-T840 PolarHBondContact OG1-OG1 2.96Å; T836-V880 HydrophobicContact CG2-CG1 3.55Å; T836-K888 HydrophobicContact CG2-CB 3.76Å; T836-A889 WeakPolarHBondContact CB-O 3.31Å
837	K	91.7	Very high	83.8	Confident	107 Å²	107	51.8 Å²	51.8	47%	0.465	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-28.7	170.7	63.9	174.2	175.4	179.8	0	113.5	R839 A889 C890 D892	K837-R839 PolarHBondContact O-N 3.23Å; K837-A889 PolarHBondContact N-O 2.66Å; K837-C890 PolarHBondContact N-O 2.87Å; K837-D892 WeakPolarHBondContact CD-OD1 3.35Å; K837-D892 IonicContact NZ-OD1 3.34Å
838	T	88.2	Confident	82.6	Confident	88 Å²	88	55.4 Å²	55.4	54%	0.54	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	10.6	174.2	57.7	0	0	0	0	112.8	T836 T840	T836-T838 PolarHBondContact O-N 3.24Å; T836-T838 PolarHBondContact OG1-N 2.86Å; T836-T838 PolarHBondContact OG1-OG1 3.47Å; T838-T840 PolarHBondContact O-N 2.75Å
839	R	89.2	Confident	81.1	Confident	223 Å²	223	62.6 Å²	62.6	84%	0.842	30%	0.296	S	S	*	.			trans	60.7	24.7	-178.3	-53.3	-177.8	179.8	-165.7	-1.4	114.6	T836 K837	T836-R839 WeakPolarHBondContact O-CA 3.25Å; T836-R839 PolarHBondContact O-N 2.83Å; T836-R839 PolarHBondContact OG1-N 3.33Å; K837-R839 PolarHBondContact O-N 3.23Å
840	T	91.4	Very high	79.6	Confident	51 Å²	51	66 Å²	66	31%	0.313	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-81.4	136.7	171.4	58.4	0	0	0	0	109.4	T835 T836 T838	T835-T840 WeakPolarHBondContact CA-O 3.31Å; T836-T840 WeakPolarHBondContact CB-OG1 3.44Å; T836-T840 WeakPolarHBondContact CG2-OG1 3.07Å; T836-T840 PolarHBondContact N-O 3.32Å; T836-T840 PolarHBondContact OG1-N 2.7Å; T836-T840 PolarHBondContact OG1-OG1 2.96Å; T838-T840 PolarHBondContact O-N 2.75Å
841	G	89.9	Confident	78.1	Confident	53 Å²	53	77.7 Å²	77.7	55%	0.546	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-64.9	136.3	178.9	0	0	0	0	0	112
842	C	90.1	Very high	76.6	Confident	8 Å²	8	81 Å²	81	5%	0.054	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-75.4	141.5	175.6	-64.1	0	0	0	0	111.2	N834 N864 C878 Y879	N834-C842 VanDerWaalsContact O-CB 3.3Å; N834-C842 WeakPolarHBondContact O-CB 3.25Å; N834-C842 PolarHBondContact O-N 3.05Å; N834-C842 PolarHBondContact O-SG 3.09Å; C842-N864 HydrophobicContact CB-CB 4.08Å; C842-N864 WeakPolarHBondContact CB-O 3.3Å; C842-N864 WeakPolarHBondContact O-CB 3.47Å; C842-N864 PolarHBondContact O-ND2 3.34Å; C842-C878 VanDerWaalsContact CA-SG 3.57Å; C842-C878 HydrophobicContact CB-CB 3.48Å; C842-C878 VanDerWaalsContact CB-CB 3.48Å; C842-C878 WeakPolarHBondContact CB-SG 3.37Å; C842-C878 WeakPolarHBondContact SG-CB 3.06Å; C842-C878 CovalentContact SG-SG 2.02Å; C842-C878 PolarHBondContact SG-SG 3.05Å; C842-Y879 CarbonylContact C-O 3.48Å; C842-Y879 WeakPolarHBondContact CA-O 3.2Å
843	L	85.6	Confident	74.7	Confident	26 Å²	26	87.4 Å²	87.4	14%	0.136	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-77.2	155.9	166.6	-56	175.9	0	0	0	110.3	N864 Y879 F881	L843-N864 VanDerWaalsContact C-CB 3.46Å; L843-N864 WeakPolarHBondContact O-CB 3.48Å; L843-Y879 PolarHBondContact N-O 2.98Å; L843-F881 HydrophobicContact CD1-CB 4.36Å; L843-F881 HydrophobicContact CD1-CD1 4.3Å; L843-F881 HydrophobicContact CD1-CD2 3.34Å; L843-F881 HydrophobicContact CD1-CE1 4.45Å; L843-F881 HydrophobicContact CD1-CE2 3.46Å; L843-F881 VanDerWaalsContact CD1-CE2 3.46Å; L843-F881 HydrophobicContact CD1-CG 3.74Å; L843-F881 HydrophobicContact CD1-CZ 4.04Å; L843-F881 HydrophobicContact CD2-CD2 3.26Å; L843-F881 HydrophobicContact CD2-CE2 3.69Å; L843-F881 HydrophobicContact CD2-CG 4.2Å; L843-F881 HydrophobicContact CG-CD2 3.9Å; L843-F881 HydrophobicContact CG-CE2 4.2Å
844	R	78.2	Confident	72.4	Confident	91 Å²	91	88.8 Å²	88.8	34%	0.343	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-67.1	145.9	171.6	-63.8	174.4	47	163.6	-3.3	110.3	D846 E847 H863 N864	R844-D846 WeakPolarHBondContact CB-OD1 3.43Å; R844-D846 IonicContact CZ-OD1 3.96Å; R844-D846 IonicContact CZ-OD2 3.42Å; R844-D846 IonicContact NE-OD1 3.61Å; R844-D846 PolarHBondContact NE-OD1 3.34Å; R844-D846 IonicContact NE-OD2 3.7Å; R844-D846 VanDerWaalsContact NH2-CG 3.35Å; R844-D846 IonicContact NH2-OD1 3.22Å; R844-D846 PolarHBondContact NH2-OD1 3.24Å; R844-D846 IonicContact NH2-OD2 3.17Å; R844-D846 PolarHBondContact NH2-OD2 3.05Å; R844-D846 PolarHBondContact O-N 2.96Å; R844-E847 HydrophobicContact CB-CB 4.41Å; R844-E847 HydrophobicContact CB-CG 4.05Å; R844-E847 PolarHBondContact O-N 3Å; R844-E847 VanDerWaalsContact O-N 3.16Å; R844-H863 WeakPolarHBondContact CA-O 3.49Å; R844-N864 HydrophobicContact CG-CB 4.2Å
845	W	73	Confident	70	Confident	8 Å²	8	89 Å²	89	3%	0.03	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-31.2	-177.3	-68.2	101.5	0	0	0	112.8	T859 H863 Y865 R867 Y869 W877 Y879	W845-T859 CarbonylContact C-O 3.55Å; W845-H863 AromaticContact CD1-CE1 3.79Å; W845-H863 AromaticContact CD1-ND1 3.54Å; W845-H863 PolarHBondContact N-O 3.21Å; W845-H863 AromaticContact NE1-CE1 3.76Å; W845-H863 AromaticContact NE1-ND1 3.7Å; W845-Y865 PolarHBondContact NE1-O 2.94Å; W845-R867 HydrophobicContact CH2-CB 4.3Å; W845-R867 HydrophobicContact CZ2-CB 3.72Å; W845-R867 HydrophobicContact CZ2-CG 4.2Å; W845-Y869 HydrophobicContact CD2-CD2 4.43Å; W845-Y869 AromaticContact CD2-CE2 3.99Å; W845-Y869 HydrophobicContact CD2-CE2 3.99Å; W845-Y869 AromaticContact CE2-CE2 3.89Å; W845-Y869 HydrophobicContact CE3-CD2 4.09Å; W845-Y869 HydrophobicContact CE3-CE2 4.1Å; W845-Y869 AromaticContact CH2-CD2 3.87Å; W845-Y869 HydrophobicContact CH2-CD2 3.87Å; W845-Y869 HydrophobicContact CH2-CE2 4.11Å; W845-Y869 HydrophobicContact CZ2-CD2 4.23Å; W845-Y869 HydrophobicContact CZ2-CE2 4.01Å; W845-Y869 AromaticContact CZ3-CD2 3.76Å; W845-Y869 HydrophobicContact CZ3-CD2 3.76Å; W845-Y869 HydrophobicContact CZ3-CE2 4.13Å; W845-W877 HydrophobicContact CE3-CH2 4.45Å; W845-W877 HydrophobicContact CE3-CZ3 4.47Å; W845-W877 HydrophobicContact CH2-CD2 4.02Å; W845-W877 AromaticContact CH2-CE3 3.74Å; W845-W877 HydrophobicContact CH2-CE3 3.74Å; W845-W877 AromaticContact CH2-CH2 3.81Å; W845-W877 HydrophobicContact CH2-CH2 3.81Å; W845-W877 HydrophobicContact CH2-CZ2 4.1Å; W845-W877 AromaticContact CH2-CZ3 3.6Å; W845-W877 HydrophobicContact CH2-CZ3 3.6Å; W845-W877 WeakPolarHBondContact CH2-O 3.47Å; W845-W877 WeakPolarHBondContact CZ2-O 3.3Å; W845-W877 HydrophobicContact CZ3-CE3 4.03Å; W845-W877 AromaticContact CZ3-CH2 3.32Å; W845-W877 HydrophobicContact CZ3-CH2 3.32Å; W845-W877 AromaticContact CZ3-CZ2 3.9Å; W845-W877 HydrophobicContact CZ3-CZ2 3.9Å; W845-W877 AromaticContact CZ3-CZ3 3.38Å; W845-W877 HydrophobicContact CZ3-CZ3 3.38Å; W845-Y879 AromaticContact CE3-CD2 3.84Å; W845-Y879 HydrophobicContact CE3-CD2 3.84Å; W845-Y879 AromaticContact CE3-CE2 3.68Å; W845-Y879 HydrophobicContact CE3-CE2 3.68Å; W845-Y879 HydrophobicContact CZ3-CD2 4.02Å; W845-Y879 AromaticContact CZ3-CE2 3.77Å; W845-Y879 HydrophobicContact CZ3-CE2 3.77Å
846	D	67	Low	67.5	Low	49 Å²	49	91.2 Å²	91.2	26%	0.262	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-15.7	-179.5	63.8	-43	0	0	0	114.5	R844 R848 T859	R844-D846 WeakPolarHBondContact CB-OD1 3.43Å; R844-D846 IonicContact CZ-OD1 3.96Å; R844-D846 IonicContact CZ-OD2 3.42Å; R844-D846 IonicContact NE-OD1 3.61Å; R844-D846 PolarHBondContact NE-OD1 3.34Å; R844-D846 IonicContact NE-OD2 3.7Å; R844-D846 VanDerWaalsContact NH2-CG 3.35Å; R844-D846 IonicContact NH2-OD1 3.22Å; R844-D846 PolarHBondContact NH2-OD1 3.24Å; R844-D846 IonicContact NH2-OD2 3.17Å; R844-D846 PolarHBondContact NH2-OD2 3.05Å; R844-D846 PolarHBondContact O-N 2.96Å; D846-R848 PolarHBondContact O-N 3.33Å; D846-T859 WeakPolarHBondContact CA-O 3.37Å; D846-T859 PolarHBondContact N-O 3.5Å
847	E	65.4	Low	64.9	Low	95 Å²	95	97.2 Å²	97.2	44%	0.444	47%	0.468	S	S	.	.			trans	-74.8	43.8	177.5	-76.1	177.7	-177.3	0	0	112.8	R844	R844-E847 HydrophobicContact CB-CB 4.41Å; R844-E847 HydrophobicContact CB-CG 4.05Å; R844-E847 PolarHBondContact O-N 3Å; R844-E847 VanDerWaalsContact O-N 3.16Å
848	R	57.4	Low	62.5	Low	93 Å²	93	96.1 Å²	96.1	35%	0.351	47%	0.467	S	S	.	.			trans	-77.1	122.9	166.6	-89.6	-170.8	-85.4	-165.1	-15.1	109.8	D846 S850 I858	D846-R848 PolarHBondContact O-N 3.33Å; R848-S850 PolarHBondContact O-N 3.46Å; R848-I858 PolarHBondContact NH2-O 3.1Å
849	Y	49.2	Very low	60.3	Low	218 Å²	218	93.6 Å²	93.6	86%	0.855	45%	0.451	S	S	*	.			trans	-67.9	17.3	177	-130.7	-89.8	0	0	0	115.3	F881	Y849-F881 HydrophobicContact CD2-CZ 4.43Å
850	S	52.2	Low	58.4	Low	73 Å²	73	83.7 Å²	83.7	51%	0.51	42%	0.419	S	S	.	.			trans	-104.7	117.9	-178	-173.6	0	0	0	0	110.6	R848 S852	R848-S850 PolarHBondContact O-N 3.46Å; S850-S852 PolarHBondContact O-N 3.2Å; S850-S852 PolarHBondContact OG-OG 2.96Å
851	R	45	Very low	56.8	Low	255 Å²	255	82.1 Å²	82.1	96%	0.962	41%	0.409	S	S	*	.			trans	-55.7	12.8	177	-77.6	179.1	170.5	166.6	-3.2	115.9
852	S	50.1	Low	55.5	Low	71 Å²	71	86 Å²	86	50%	0.497	42%	0.417	S	S	.	.			trans	-87.9	112.5	177.1	-50.8	0	0	0	0	107.5	S850 L854	S850-S852 PolarHBondContact O-N 3.2Å; S850-S852 PolarHBondContact OG-OG 2.96Å; S852-L854 PolarHBondContact O-N 2.94Å
853	N	43.6	Very low	54.7	Low	171 Å²	171	86.5 Å²	86.5	91%	0.914	42%	0.418	S	S	*	.			trans	-60.1	70.9	167.7	-76.5	-17.2	0	0	0	109.7
854	L	39.3	Very low	54.6	Low	69 Å²	69	87.2 Å²	87.2	36%	0.361	42%	0.422	S	S	.	.			trans	-72.9	139.7	173.4	-74.6	156	0	0	0	107.5	S852 I858 T859	S852-L854 PolarHBondContact O-N 2.94Å; L854-I858 HydrophobicContact CB-CB 4.2Å; L854-I858 HydrophobicContact CB-CG2 4.29Å; L854-I858 HydrophobicContact CD1-CG2 4.31Å; L854-I858 HydrophobicContact CD2-CD1 3.77Å; L854-I858 HydrophobicContact CD2-CG2 4.25Å; L854-T859 HydrophobicContact CB-CG2 4.18Å; L854-T859 WeakPolarHBondContact O-CG2 3.33Å
855	P	38.2	Very low	54.9	Low	71 Å²	71	85.6 Å²	85.6	46%	0.461	42%	0.417	S	S	.	.			trans	-51.4	147.1	169.9	-23	31.3	0	0	0	110.7	E857 I858 T859	P855-E857 WeakPolarHBondContact CB-OE2 3.23Å; P855-E857 PolarHBondContact O-N 3.27Å; P855-I858 CarbonylContact O-C 3.58Å; P855-I858 WeakPolarHBondContact O-CA 3.36Å; P855-I858 VanDerWaalsContact O-CB 3.32Å; P855-I858 WeakPolarHBondContact O-CB 3.39Å; P855-I858 PolarHBondContact O-N 3.32Å; P855-T859 PolarHBondContact O-N 2.98Å
856	W	40.1	Very low	55.6	Low	95 Å²	95	85.2 Å²	85.2	36%	0.36	42%	0.415	S	S	.	.	H	α-helix	trans	-64.7	-24.4	-177.4	71	-80.1	0	0	0	112.7	P779 G780 I858 T859 G860	P779-W856 HydrophobicContact CB-CZ2 3.54Å; G780-W856 VanDerWaalsContact N-CE2 3.32Å; W856-I858 CarbonylContact O-C 3.59Å; W856-I858 PolarHBondContact O-N 3.39Å; W856-T859 WeakPolarHBondContact CA-OG1 3.2Å; W856-T859 PolarHBondContact O-N 2.89Å; W856-G860 PolarHBondContact O-N 3.5Å
857	E	38.6	Very low	56.5	Low	126 Å²	126	83.2 Å²	83.2	59%	0.589	40%	0.404	S	S	*	.	H	α-helix	trans	-54.1	-26.5	169.1	-65.3	88.3	-173.9	0	0	111.1	P855	P855-E857 WeakPolarHBondContact CB-OE2 3.23Å; P855-E857 PolarHBondContact O-N 3.27Å
858	I	40.5	Very low	57.3	Low	84 Å²	84	79.7 Å²	79.7	43%	0.431	39%	0.388	S	S	.	.	H	α-helix	trans	-92.9	-45.9	170.5	-53.4	-179.8	0	0	0	110.7	R848 L854 P855 W856 G860	R848-I858 PolarHBondContact NH2-O 3.1Å; L854-I858 HydrophobicContact CB-CB 4.2Å; L854-I858 HydrophobicContact CB-CG2 4.29Å; L854-I858 HydrophobicContact CD1-CG2 4.31Å; L854-I858 HydrophobicContact CD2-CD1 3.77Å; L854-I858 HydrophobicContact CD2-CG2 4.25Å; P855-I858 CarbonylContact O-C 3.58Å; P855-I858 WeakPolarHBondContact O-CA 3.36Å; P855-I858 VanDerWaalsContact O-CB 3.32Å; P855-I858 WeakPolarHBondContact O-CB 3.39Å; P855-I858 PolarHBondContact O-N 3.32Å; W856-I858 CarbonylContact O-C 3.59Å; W856-I858 PolarHBondContact O-N 3.39Å; I858-G860 PolarHBondContact O-N 3.26Å
859	T	42.4	Very low	57.9	Low	35 Å²	35	79.9 Å²	79.9	22%	0.215	39%	0.39	C	S	.	.	H	α-helix	trans	-62.6	-14.7	-176.3	74.5	0	0	0	0	113.9	W845 D846 L854 P855 W856	W845-T859 CarbonylContact C-O 3.55Å; D846-T859 WeakPolarHBondContact CA-O 3.37Å; D846-T859 PolarHBondContact N-O 3.5Å; L854-T859 HydrophobicContact CB-CG2 4.18Å; L854-T859 WeakPolarHBondContact O-CG2 3.33Å; P855-T859 PolarHBondContact O-N 2.98Å; W856-T859 WeakPolarHBondContact CA-OG1 3.2Å; W856-T859 PolarHBondContact O-N 2.89Å
860	G	48.8	Very low	58.7	Low	15 Å²	15	72.9 Å²	72.9	16%	0.155	38%	0.384	C	S	.	.			trans	75.4	175.6	177.9	0	0	0	0	0	112.7	W856 I858	W856-G860 PolarHBondContact O-N 3.5Å; I858-G860 PolarHBondContact O-N 3.26Å
861	P	59.3	Low	59.5	Low	18 Å²	18	74.5 Å²	74.5	12%	0.117	39%	0.387	C	S	.	.			trans	-67	157.4	-172.9	-20.1	32.3	0	0	0	114	D782 H863 Y869	D782-P861 HydrophobicContact CB-CB 4.22Å; D782-P861 HydrophobicContact CB-CG 4.15Å; P861-H863 WeakPolarHBondContact CB-NE2 3.42Å; P861-H863 PolarHBondContact O-N 3.11Å; P861-Y869 WeakPolarHBondContact CD-OH 3.37Å; P861-Y869 WeakPolarHBondContact CG-OH 3.48Å
862	L	62.6	Low	61.2	Low	136 Å²	136	63.6 Å²	63.6	71%	0.712	35%	0.35	S	S	*	.	S	Bend	trans	-74.4	40.6	175.1	-57.9	174.3	0	0	0	113.3
863	H	73	Confident	62.8	Low	17 Å²	17	67.5 Å²	67.5	8%	0.079	36%	0.36	C	S	.	.	S	Bend	trans	-139.4	175.3	175.3	65	55.7	0	0	0	110.2	D782 R844 W845 P861 Y865	D782-H863 IonicContact OD2-CE1 3.96Å; D782-H863 IonicContact OD2-NE2 3.72Å; D782-H863 PolarHBondContact OD2-NE2 3.16Å; R844-H863 WeakPolarHBondContact CA-O 3.49Å; W845-H863 AromaticContact CD1-CE1 3.79Å; W845-H863 AromaticContact CD1-ND1 3.54Å; W845-H863 PolarHBondContact N-O 3.21Å; W845-H863 AromaticContact NE1-CE1 3.76Å; W845-H863 AromaticContact NE1-ND1 3.7Å; P861-H863 WeakPolarHBondContact CB-NE2 3.42Å; P861-H863 PolarHBondContact O-N 3.11Å; H863-Y865 HydrophobicContact CB-CD2 3.64Å; H863-Y865 HydrophobicContact CB-CE2 3.75Å; H863-Y865 HydrophobicContact CB-CG 4.42Å; H863-Y865 AromaticContact CD2-CD2 3.7Å; H863-Y865 AromaticContact CG-CD2 3.41Å; H863-Y865 VanDerWaalsContact CG-CD2 3.41Å; H863-Y865 AromaticContact CG-CE2 3.98Å; H863-Y865 AromaticContact ND1-CD2 3.65Å; H863-Y865 PolarHBondContact ND1-N 2.9Å
864	N	82.3	Confident	64.8	Low	42 Å²	42	62.8 Å²	62.8	23%	0.225	33%	0.334	C	S	.	.			trans	-118.8	16.6	177.1	65	-14.8	0	0	0	113.1	C842 L843 R844	C842-N864 HydrophobicContact CB-CB 4.08Å; C842-N864 WeakPolarHBondContact CB-O 3.3Å; C842-N864 WeakPolarHBondContact O-CB 3.47Å; C842-N864 PolarHBondContact O-ND2 3.34Å; L843-N864 VanDerWaalsContact C-CB 3.46Å; L843-N864 WeakPolarHBondContact O-CB 3.48Å; R844-N864 HydrophobicContact CG-CB 4.2Å
865	Y	84.3	Confident	67.2	Low	56 Å²	56	59.5 Å²	59.5	22%	0.22	32%	0.317	C	S	.	.			trans	-65.5	144.8	177.8	-52.9	-53	0	0	0	112.1	F832 R833 N834 W845 H863 R867	F832-Y865 VanDerWaalsContact C-CD1 3.45Å; F832-Y865 HydrophobicContact CB-CD1 4.2Å; F832-Y865 HydrophobicContact CB-CE1 3.98Å; F832-Y865 HydrophobicContact CD1-CD2 4.37Å; F832-Y865 HydrophobicContact CD1-CE1 4.41Å; F832-Y865 HydrophobicContact CD1-CE2 4.01Å; F832-Y865 WeakPolarHBondContact O-CD1 3.36Å; F832-Y865 VanDerWaalsContact O-CE1 3.32Å; F832-Y865 WeakPolarHBondContact O-CE1 3.26Å; R833-Y865 CarbonylContact O-C 3.56Å; R833-Y865 VanDerWaalsContact O-CA 3.3Å; R833-Y865 WeakPolarHBondContact O-CA 3.45Å; N834-Y865 HydrophobicContact CB-CD1 4.06Å; N834-Y865 HydrophobicContact CB-CE1 4.49Å; W845-Y865 PolarHBondContact NE1-O 2.94Å; H863-Y865 HydrophobicContact CB-CD2 3.64Å; H863-Y865 HydrophobicContact CB-CE2 3.75Å; H863-Y865 HydrophobicContact CB-CG 4.42Å; H863-Y865 AromaticContact CD2-CD2 3.7Å; H863-Y865 AromaticContact CG-CD2 3.41Å; H863-Y865 VanDerWaalsContact CG-CD2 3.41Å; H863-Y865 AromaticContact CG-CE2 3.98Å; H863-Y865 AromaticContact ND1-CD2 3.65Å; H863-Y865 PolarHBondContact ND1-N 2.9Å; Y865-R867 WeakPolarHBondContact O-CG 3.43Å; Y865-R867 PolarHBondContact O-N 3.26Å
866	C	88.1	Confident	69.7	Low	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.295	C	S	.	.			trans	-60.5	131.3	176.7	-64.1	0	0	0	0	110.7	Y829 R833 P876 W877 C890	Y829-C866 HydrophobicContact CD1-CB 4.39Å; Y829-C866 VanDerWaalsContact CD1-O 3.26Å; Y829-C866 WeakPolarHBondContact CD1-O 3.33Å; Y829-C866 HydrophobicContact CE1-CB 4.27Å; R833-C866 WeakPolarHBondContact O-CB 3.32Å; R833-C866 PolarHBondContact O-N 2.8Å; R833-C866 PolarHBondContact O-SG 3.43Å; C866-P876 HydrophobicContact CB-CB 4.42Å; C866-W877 WeakPolarHBondContact CA-O 3.23Å; C866-C890 HydrophobicContact CB-CB 3.54Å; C866-C890 WeakPolarHBondContact CB-SG 3.41Å; C866-C890 WeakPolarHBondContact SG-CB 3.43Å; C866-C890 CovalentContact SG-SG 2.01Å; C866-C890 PolarHBondContact SG-SG 2.85Å
867	R	85.6	Confident	72.1	Confident	8 Å²	8	51.9 Å²	51.9	3%	0.03	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-145.1	160	-178.3	-63.9	-70	178.5	-100.5	8	109.4	D782 Y829 G831 W845 Y865 Y869 W877	D782-R867 IonicContact OD2-NE 3.24Å; Y829-R867 WeakPolarHBondContact O-CD 3.47Å; G831-R867 PolarHBondContact O-NH1 3.05Å; G831-R867 PolarHBondContact O-NH2 3.08Å; G831-R867 VanDerWaalsContact O-NH2 3.13Å; W845-R867 HydrophobicContact CH2-CB 4.3Å; W845-R867 HydrophobicContact CZ2-CB 3.72Å; W845-R867 HydrophobicContact CZ2-CG 4.2Å; Y865-R867 WeakPolarHBondContact O-CG 3.43Å; Y865-R867 PolarHBondContact O-N 3.26Å; R867-Y869 HydrophobicContact CB-CD2 3.92Å; R867-Y869 HydrophobicContact CB-CE1 4.29Å; R867-Y869 HydrophobicContact CB-CE2 3.48Å; R867-Y869 VanDerWaalsContact CB-CE2 3.48Å; R867-Y869 HydrophobicContact CB-CG 4.49Å; R867-Y869 HydrophobicContact CG-CE2 3.88Å; R867-W877 PolarHBondContact N-O 3.47Å; R867-W877 PolarHBondContact O-N 3.47Å
868	N	82.2	Confident	74.5	Confident	21 Å²	21	45.9 Å²	45.9	11%	0.112	25%	0.251	C	S	.	.			trans	-116.3	74.9	176.2	-171	9.5	0	0	0	110	Q825 T827 G870 S872 G875	Q825-N868 PolarHBondContact O-ND2 3.18Å; T827-N868 WeakPolarHBondContact O-CB 3.44Å; T827-N868 PolarHBondContact O-ND2 3.36Å; N868-G870 PolarHBondContact O-N 3.39Å; N868-S872 WeakPolarHBondContact OD1-CB 3.13Å; N868-S872 PolarHBondContact OD1-N 3.14Å; N868-G875 PolarHBondContact OD1-O 3.09Å
869	Y	71	Confident	76.7	Confident	97 Å²	97	43 Å²	43	38%	0.38	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	114.9	175.1	-60.5	-57.7	0	0	0	109.6	W845 P861 R867	W845-Y869 HydrophobicContact CD2-CD2 4.43Å; W845-Y869 AromaticContact CD2-CE2 3.99Å; W845-Y869 HydrophobicContact CD2-CE2 3.99Å; W845-Y869 AromaticContact CE2-CE2 3.89Å; W845-Y869 HydrophobicContact CE3-CD2 4.09Å; W845-Y869 HydrophobicContact CE3-CE2 4.1Å; W845-Y869 AromaticContact CH2-CD2 3.87Å; W845-Y869 HydrophobicContact CH2-CD2 3.87Å; W845-Y869 HydrophobicContact CH2-CE2 4.11Å; W845-Y869 HydrophobicContact CZ2-CD2 4.23Å; W845-Y869 HydrophobicContact CZ2-CE2 4.01Å; W845-Y869 AromaticContact CZ3-CD2 3.76Å; W845-Y869 HydrophobicContact CZ3-CD2 3.76Å; W845-Y869 HydrophobicContact CZ3-CE2 4.13Å; P861-Y869 WeakPolarHBondContact CD-OH 3.37Å; P861-Y869 WeakPolarHBondContact CG-OH 3.48Å; R867-Y869 HydrophobicContact CB-CD2 3.92Å; R867-Y869 HydrophobicContact CB-CE1 4.29Å; R867-Y869 HydrophobicContact CB-CE2 3.48Å; R867-Y869 VanDerWaalsContact CB-CE2 3.48Å; R867-Y869 HydrophobicContact CB-CG 4.49Å; R867-Y869 HydrophobicContact CG-CE2 3.88Å
870	G	64.9	Low	78.8	Confident	71 Å²	71	41.5 Å²	41.5	73%	0.732	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.6	40	174.3	0	0	0	0	0	115.1	N868 S872	N868-G870 PolarHBondContact O-N 3.39Å; G870-S872 VanDerWaalsContact C-N 3.28Å; G870-S872 PolarHBondContact O-N 3.03Å; G870-S872 VanDerWaalsContact O-N 3.14Å
871	D	70.6	Confident	80.4	Confident	107 Å²	107	46.4 Å²	46.4	57%	0.572	24%	0.243	S	C	*	.			trans	47.5	45.8	171.1	-55.4	-33.9	0	0	0	114.3	Q825	Q825-D871 VanDerWaalsContact O-CA 3.26Å; Q825-D871 WeakPolarHBondContact O-CA 3.19Å
872	S	80.1	Confident	81	Confident	26 Å²	26	48.8 Å²	48.8	18%	0.182	26%	0.255	C	S	.	.			trans	-63	139.8	-176.6	-174.4	0	0	0	0	111.4	N868 G870 L874 G875	N868-S872 WeakPolarHBondContact OD1-CB 3.13Å; N868-S872 PolarHBondContact OD1-N 3.14Å; G870-S872 VanDerWaalsContact C-N 3.28Å; G870-S872 PolarHBondContact O-N 3.03Å; G870-S872 VanDerWaalsContact O-N 3.14Å; S872-L874 PolarHBondContact O-N 3.08Å; S872-L874 VanDerWaalsContact O-N 3.09Å; S872-L874 PolarHBondContact OG-N 2.92Å; S872-G875 PolarHBondContact O-N 3.39Å
873	E	83.8	Confident	81.4	Confident	152 Å²	152	52.5 Å²	52.5	71%	0.71	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.7	173.3	-45.4	-161.6	145.1	0	0	113.7	Q825 G875	Q825-E873 HydrophobicContact CG-CB 4.39Å; Q825-E873 HydrophobicContact CG-CG 4.43Å; E873-G875 PolarHBondContact O-N 3.09Å
874	L	85	Confident	81.4	Confident	72 Å²	72	53.4 Å²	53.4	38%	0.377	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-11.7	174.4	-62.1	179	0	0	0	113.1	S872 W877 R887 A889	S872-L874 PolarHBondContact O-N 3.08Å; S872-L874 VanDerWaalsContact O-N 3.09Å; S872-L874 PolarHBondContact OG-N 2.92Å; L874-W877 HydrophobicContact CB-CB 4.33Å; L874-W877 HydrophobicContact CD1-CB 4.49Å; L874-R887 HydrophobicContact CD1-CB 4.34Å; L874-A889 HydrophobicContact CB-CB 4.18Å
875	G	89.4	Confident	81.1	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.286	C	S	.	.			trans	66.3	-147.2	-166.8	0	0	0	0	0	111.3	I824 N868 S872 E873 W877	I824-G875 VanDerWaalsContact O-CA 3.23Å; I824-G875 WeakPolarHBondContact O-CA 3.25Å; N868-G875 PolarHBondContact OD1-O 3.09Å; S872-G875 PolarHBondContact O-N 3.39Å; E873-G875 PolarHBondContact O-N 3.09Å; G875-W877 PolarHBondContact O-N 3.2Å
876	P	91.3	Very high	81	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.006	30%	0.297	C	S	.	.	S	Bend	trans	-61.2	121.2	175.3	-20.6	33.2	0	0	0	111.6	I819 T827 Y829 C866 C890 F891	I819-P876 HydrophobicContact CD1-CG 3.58Å; T827-P876 HydrophobicContact CG2-CG 4.33Å; Y829-P876 VanDerWaalsContact CB-CG 3.47Å; Y829-P876 HydrophobicContact CD1-CB 4.28Å; Y829-P876 HydrophobicContact CG-CB 4.34Å; Y829-P876 HydrophobicContact CG-CG 4.25Å; C866-P876 HydrophobicContact CB-CB 4.42Å; P876-C890 WeakPolarHBondContact O-CB 3.13Å; P876-C890 PolarHBondContact O-N 2.86Å; P876-F891 HydrophobicContact CB-CD2 3.93Å; P876-F891 HydrophobicContact CB-CE2 3.96Å; P876-F891 HydrophobicContact CG-CD2 4.04Å; P876-F891 HydrophobicContact CG-CE2 4.22Å
877	W	90.5	Very high	80.9	Confident	5 Å²	5	62.8 Å²	62.8	2%	0.019	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	169.3	-175.8	63.1	-96.4	0	0	0	111	W845 C866 R867 L874 G875 Y879 R887 K888	W845-W877 HydrophobicContact CE3-CH2 4.45Å; W845-W877 HydrophobicContact CE3-CZ3 4.47Å; W845-W877 HydrophobicContact CH2-CD2 4.02Å; W845-W877 AromaticContact CH2-CE3 3.74Å; W845-W877 HydrophobicContact CH2-CE3 3.74Å; W845-W877 AromaticContact CH2-CH2 3.81Å; W845-W877 HydrophobicContact CH2-CH2 3.81Å; W845-W877 HydrophobicContact CH2-CZ2 4.1Å; W845-W877 AromaticContact CH2-CZ3 3.6Å; W845-W877 HydrophobicContact CH2-CZ3 3.6Å; W845-W877 WeakPolarHBondContact CH2-O 3.47Å; W845-W877 WeakPolarHBondContact CZ2-O 3.3Å; W845-W877 HydrophobicContact CZ3-CE3 4.03Å; W845-W877 AromaticContact CZ3-CH2 3.32Å; W845-W877 HydrophobicContact CZ3-CH2 3.32Å; W845-W877 AromaticContact CZ3-CZ2 3.9Å; W845-W877 HydrophobicContact CZ3-CZ2 3.9Å; W845-W877 AromaticContact CZ3-CZ3 3.38Å; W845-W877 HydrophobicContact CZ3-CZ3 3.38Å; C866-W877 WeakPolarHBondContact CA-O 3.23Å; R867-W877 PolarHBondContact N-O 3.47Å; R867-W877 PolarHBondContact O-N 3.47Å; L874-W877 HydrophobicContact CB-CB 4.33Å; L874-W877 HydrophobicContact CD1-CB 4.49Å; G875-W877 PolarHBondContact O-N 3.2Å; W877-Y879 HydrophobicContact CH2-CD2 4.47Å; W877-Y879 HydrophobicContact CH2-CE1 4.1Å; W877-Y879 AromaticContact CH2-CE2 3.76Å; W877-Y879 HydrophobicContact CH2-CE2 3.76Å; W877-Y879 AromaticContact CH2-CZ 3.55Å; W877-Y879 AromaticContact CZ3-CD1 3.95Å; W877-Y879 HydrophobicContact CZ3-CD1 3.95Å; W877-Y879 AromaticContact CZ3-CD2 3.88Å; W877-Y879 HydrophobicContact CZ3-CD2 3.88Å; W877-Y879 AromaticContact CZ3-CE1 3.72Å; W877-Y879 HydrophobicContact CZ3-CE1 3.72Å; W877-Y879 AromaticContact CZ3-CE2 3.6Å; W877-Y879 HydrophobicContact CZ3-CE2 3.6Å; W877-Y879 HydrophobicContact CZ3-CG 4.05Å; W877-Y879 AromaticContact CZ3-CZ 3.54Å; W877-R887 HydrophobicContact CD2-CB 4.31Å; W877-R887 HydrophobicContact CD2-CG 4.4Å; W877-R887 HydrophobicContact CE3-CB 3.76Å; W877-R887 HydrophobicContact CE3-CG 3.68Å; W877-R887 VanDerWaalsContact CH2-CD 3.45Å; W877-R887 HydrophobicContact CH2-CG 3.91Å; W877-R887 HydrophobicContact CZ3-CB 4.06Å; W877-R887 HydrophobicContact CZ3-CG 3.43Å; W877-R887 VanDerWaalsContact CZ3-CG 3.43Å; W877-K888 VanDerWaalsContact CA-O 3.28Å; W877-K888 WeakPolarHBondContact CA-O 3.41Å; W877-K888 VanDerWaalsContact CB-O 3.28Å; W877-K888 WeakPolarHBondContact CB-O 3.21Å
878	C	89.1	Confident	81.1	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	166	169.9	69.4	0	0	0	0	110.8	C842 K888	C842-C878 VanDerWaalsContact CA-SG 3.57Å; C842-C878 HydrophobicContact CB-CB 3.48Å; C842-C878 VanDerWaalsContact CB-CB 3.48Å; C842-C878 WeakPolarHBondContact CB-SG 3.37Å; C842-C878 WeakPolarHBondContact SG-CB 3.06Å; C842-C878 CovalentContact SG-SG 2.02Å; C842-C878 PolarHBondContact SG-SG 3.05Å; C878-K888 PolarHBondContact N-O 3.21Å; C878-K888 PolarHBondContact O-N 2.83Å
879	Y	86.1	Confident	81.7	Confident	23 Å²	23	64 Å²	64	9%	0.09	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	142.9	172.3	-70.5	-66.9	0	0	0	110.6	C842 L843 W845 W877 V885 E886 R887	C842-Y879 CarbonylContact C-O 3.48Å; C842-Y879 WeakPolarHBondContact CA-O 3.2Å; L843-Y879 PolarHBondContact N-O 2.98Å; W845-Y879 AromaticContact CE3-CD2 3.84Å; W845-Y879 HydrophobicContact CE3-CD2 3.84Å; W845-Y879 AromaticContact CE3-CE2 3.68Å; W845-Y879 HydrophobicContact CE3-CE2 3.68Å; W845-Y879 HydrophobicContact CZ3-CD2 4.02Å; W845-Y879 AromaticContact CZ3-CE2 3.77Å; W845-Y879 HydrophobicContact CZ3-CE2 3.77Å; W877-Y879 HydrophobicContact CH2-CD2 4.47Å; W877-Y879 HydrophobicContact CH2-CE1 4.1Å; W877-Y879 AromaticContact CH2-CE2 3.76Å; W877-Y879 HydrophobicContact CH2-CE2 3.76Å; W877-Y879 AromaticContact CH2-CZ 3.55Å; W877-Y879 AromaticContact CZ3-CD1 3.95Å; W877-Y879 HydrophobicContact CZ3-CD1 3.95Å; W877-Y879 AromaticContact CZ3-CD2 3.88Å; W877-Y879 HydrophobicContact CZ3-CD2 3.88Å; W877-Y879 AromaticContact CZ3-CE1 3.72Å; W877-Y879 HydrophobicContact CZ3-CE1 3.72Å; W877-Y879 AromaticContact CZ3-CE2 3.6Å; W877-Y879 HydrophobicContact CZ3-CE2 3.6Å; W877-Y879 HydrophobicContact CZ3-CG 4.05Å; W877-Y879 AromaticContact CZ3-CZ 3.54Å; Y879-V885 HydrophobicContact CD1-CG1 3.51Å; Y879-V885 HydrophobicContact CE1-CG1 4.17Å; Y879-V885 HydrophobicContact CG-CG1 4.01Å; Y879-E886 WeakPolarHBondContact CA-O 3.44Å; Y879-R887 HydrophobicContact CD1-CG 3.94Å; Y879-R887 HydrophobicContact CE1-CG 3.58Å; Y879-R887 PolarHBondContact OH-NE 3Å; Y879-R887 PolarHBondContact OH-NH2 3.43Å
880	V	87.1	Confident	82.8	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.024	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	151.4	172.4	-61.2	0	0	0	0	110	T836 D882 E886 K888	T836-V880 HydrophobicContact CG2-CG1 3.55Å; V880-D882 PolarHBondContact O-N 3.43Å; V880-E886 PolarHBondContact N-O 3.05Å; V880-E886 PolarHBondContact O-N 3.23Å; V880-E886 VanDerWaalsContact O-N 3.08Å; V880-K888 HydrophobicContact CG2-CB 4.26Å; V880-K888 HydrophobicContact CG2-CD 3.58Å; V880-K888 HydrophobicContact CG2-CG 3.7Å
881	F	82	Confident	84.2	Confident	119 Å²	119	56.4 Å²	56.4	52%	0.522	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	102	168.7	-86.7	-61.5	0	0	0	109.5	L843 Y849 G884 V885	L843-F881 HydrophobicContact CD1-CB 4.36Å; L843-F881 HydrophobicContact CD1-CD1 4.3Å; L843-F881 HydrophobicContact CD1-CD2 3.34Å; L843-F881 HydrophobicContact CD1-CE1 4.45Å; L843-F881 HydrophobicContact CD1-CE2 3.46Å; L843-F881 VanDerWaalsContact CD1-CE2 3.46Å; L843-F881 HydrophobicContact CD1-CG 3.74Å; L843-F881 HydrophobicContact CD1-CZ 4.04Å; L843-F881 HydrophobicContact CD2-CD2 3.26Å; L843-F881 HydrophobicContact CD2-CE2 3.69Å; L843-F881 HydrophobicContact CD2-CG 4.2Å; L843-F881 HydrophobicContact CG-CD2 3.9Å; L843-F881 HydrophobicContact CG-CE2 4.2Å; Y849-F881 HydrophobicContact CD2-CZ 4.43Å; F881-G884 CarbonylContact C-O 3.51Å; F881-G884 WeakPolarHBondContact CA-O 3.11Å; F881-V885 HydrophobicContact CD1-CG2 3.93Å; F881-V885 HydrophobicContact CE1-CG2 3.39Å; F881-V885 HydrophobicContact CZ-CG2 3.92Å
882	D	71.5	Confident	85.3	Confident	67 Å²	67	54.9 Å²	54.9	36%	0.358	27%	0.268	S	S	.	.	S	Bend	trans	-140.3	99.6	171.3	-170.7	3	0	0	0	108.7	V880 G884 K888	V880-D882 PolarHBondContact O-N 3.43Å; D882-G884 CarbonylContact C-O 3.46Å; D882-G884 PolarHBondContact N-O 2.81Å; D882-G884 PolarHBondContact O-N 2.63Å; D882-K888 IonicContact OD2-NZ 3.97Å; D882-K888 PolarHBondContact OD2-NZ 3.49Å
883	K	70.4	Confident	85.9	Confident	215 Å²	215	56.5 Å²	56.5	94%	0.935	28%	0.277	S	S	*	.	S	Bend	trans	52.8	22.6	-172.8	-57.1	177.8	-176.3	174.3	0	114.7
884	G	74.3	Confident	86.3	Confident	36 Å²	36	50 Å²	50	37%	0.371	25%	0.248	S	C	.	.	S	Bend	trans	144.2	-178.2	-169	0	0	0	0	0	109.8	F881 D882	F881-G884 CarbonylContact C-O 3.51Å; F881-G884 WeakPolarHBondContact CA-O 3.11Å; D882-G884 CarbonylContact C-O 3.46Å; D882-G884 PolarHBondContact N-O 2.81Å; D882-G884 PolarHBondContact O-N 2.63Å
885	V	74.8	Confident	86.5	Confident	59 Å²	59	50.5 Å²	50.5	36%	0.358	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	107.2	174.1	178.7	0	0	0	0	108.1	Y879 F881	Y879-V885 HydrophobicContact CD1-CG1 3.51Å; Y879-V885 HydrophobicContact CE1-CG1 4.17Å; Y879-V885 HydrophobicContact CG-CG1 4.01Å; F881-V885 HydrophobicContact CD1-CG2 3.93Å; F881-V885 HydrophobicContact CE1-CG2 3.39Å; F881-V885 HydrophobicContact CZ-CG2 3.92Å
886	E	82.7	Confident	86.3	Confident	96 Å²	96	59.1 Å²	59.1	45%	0.449	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	152.5	178.9	-67.3	-170.7	165.2	0	0	111.4	Y879 V880	Y879-E886 WeakPolarHBondContact CA-O 3.44Å; V880-E886 PolarHBondContact N-O 3.05Å; V880-E886 PolarHBondContact O-N 3.23Å; V880-E886 VanDerWaalsContact O-N 3.08Å
887	R	86.4	Confident	85.9	Confident	139 Å²	139	66.7 Å²	66.7	53%	0.525	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	126.1	172.3	-59.7	-174.6	175.4	166.1	-3.5	109.1	L874 W877 Y879	L874-R887 HydrophobicContact CD1-CB 4.34Å; W877-R887 HydrophobicContact CD2-CB 4.31Å; W877-R887 HydrophobicContact CD2-CG 4.4Å; W877-R887 HydrophobicContact CE3-CB 3.76Å; W877-R887 HydrophobicContact CE3-CG 3.68Å; W877-R887 VanDerWaalsContact CH2-CD 3.45Å; W877-R887 HydrophobicContact CH2-CG 3.91Å; W877-R887 HydrophobicContact CZ3-CB 4.06Å; W877-R887 HydrophobicContact CZ3-CG 3.43Å; W877-R887 VanDerWaalsContact CZ3-CG 3.43Å; Y879-R887 HydrophobicContact CD1-CG 3.94Å; Y879-R887 HydrophobicContact CE1-CG 3.58Å; Y879-R887 PolarHBondContact OH-NE 3Å; Y879-R887 PolarHBondContact OH-NH2 3.43Å
888	K	90.6	Very high	85.6	Confident	47 Å²	47	70.6 Å²	70.6	20%	0.204	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	140.8	175.4	-67.8	-166.3	-168.9	176.4	0	111.5	T836 W877 C878 V880 D882	T836-K888 HydrophobicContact CG2-CB 3.76Å; W877-K888 VanDerWaalsContact CA-O 3.28Å; W877-K888 WeakPolarHBondContact CA-O 3.41Å; W877-K888 VanDerWaalsContact CB-O 3.28Å; W877-K888 WeakPolarHBondContact CB-O 3.21Å; C878-K888 PolarHBondContact N-O 3.21Å; C878-K888 PolarHBondContact O-N 2.83Å; V880-K888 HydrophobicContact CG2-CB 4.26Å; V880-K888 HydrophobicContact CG2-CD 3.58Å; V880-K888 HydrophobicContact CG2-CG 3.7Å; D882-K888 IonicContact OD2-NZ 3.97Å; D882-K888 PolarHBondContact OD2-NZ 3.49Å
889	A	93.6	Very high	85.4	Confident	9 Å²	9	76.8 Å²	76.8	7%	0.074	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	143.1	176.6	0	0	0	0	0	111.6	T836 K837 L874	T836-A889 WeakPolarHBondContact CB-O 3.31Å; K837-A889 PolarHBondContact N-O 2.66Å; L874-A889 HydrophobicContact CB-CB 4.18Å
890	C	94.5	Very high	85.4	Confident	0 Å²	0	78 Å²	78	0%	0	40%	0.4	C	S	.	.	S	Bend	trans	-92.4	-26.6	178.9	-65	0	0	0	0	114.6	R833 K837 C866 P876	R833-C890 PolarHBondContact NE-O 3.04Å; R833-C890 PolarHBondContact NH2-O 3.38Å; K837-C890 PolarHBondContact N-O 2.87Å; C866-C890 HydrophobicContact CB-CB 3.54Å; C866-C890 WeakPolarHBondContact CB-SG 3.41Å; C866-C890 WeakPolarHBondContact SG-CB 3.43Å; C866-C890 CovalentContact SG-SG 2.01Å; C866-C890 PolarHBondContact SG-SG 2.85Å; P876-C890 WeakPolarHBondContact O-CB 3.13Å; P876-C890 PolarHBondContact O-N 2.86Å
891	F	94.7	Very high	85.3	Confident	7 Å²	7	80.6 Å²	80.6	3%	0.031	42%	0.415	C	S	.	.	S	Bend	trans	-121.5	154.1	-179.4	-59	-83.2	0	0	0	110.6	I813 I819 Y829 R833 P876	I813-F891 HydrophobicContact CG2-CD1 3.84Å; I813-F891 HydrophobicContact CG2-CD2 4.31Å; I813-F891 HydrophobicContact CG2-CE1 3.6Å; I813-F891 HydrophobicContact CG2-CE2 4.09Å; I813-F891 HydrophobicContact CG2-CG 4.18Å; I813-F891 HydrophobicContact CG2-CZ 3.73Å; I819-F891 HydrophobicContact CD1-CB 3.77Å; I819-F891 HydrophobicContact CD1-CD2 3.71Å; I819-F891 HydrophobicContact CD1-CG 3.92Å; I819-F891 HydrophobicContact CG1-CB 3.96Å; I819-F891 HydrophobicContact CG1-CD2 4.49Å; I819-F891 HydrophobicContact CG1-CG 4.25Å; Y829-F891 HydrophobicContact CD1-CE2 4.06Å; Y829-F891 HydrophobicContact CD1-CZ 4.44Å; Y829-F891 HydrophobicContact CD2-CE2 4Å; Y829-F891 AromaticContact CD2-CZ 3.94Å; Y829-F891 HydrophobicContact CD2-CZ 3.94Å; Y829-F891 HydrophobicContact CE1-CE2 4.15Å; Y829-F891 HydrophobicContact CE1-CZ 4.16Å; Y829-F891 HydrophobicContact CE2-CE2 4.07Å; Y829-F891 AromaticContact CE2-CZ 3.58Å; Y829-F891 HydrophobicContact CE2-CZ 3.58Å; Y829-F891 AromaticContact CG-CE2 3.99Å; Y829-F891 HydrophobicContact CG-CE2 3.99Å; Y829-F891 HydrophobicContact CG-CZ 4.35Å; Y829-F891 AromaticContact CZ-CZ 3.72Å; R833-F891 HydrophobicContact CB-CZ 4.25Å; R833-F891 VanDerWaalsContact CD-CE1 3.41Å; R833-F891 HydrophobicContact CG-CZ 4.41Å; P876-F891 HydrophobicContact CB-CD2 3.93Å; P876-F891 HydrophobicContact CB-CE2 3.96Å; P876-F891 HydrophobicContact CG-CD2 4.04Å; P876-F891 HydrophobicContact CG-CE2 4.22Å
892	D	93.3	Very high	85.4	Confident	75 Å²	75	82.4 Å²	82.4	40%	0.401	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	163.2	170.5	-75.6	-49.4	0	0	0	111.5	C818 I819 K837	C818-D892 CarbonylContact C-O 3.49Å; C818-D892 WeakPolarHBondContact CA-O 3.25Å; C818-D892 HydrophobicContact CB-CB 4.47Å; C818-D892 VanDerWaalsContact CB-O 3.25Å; C818-D892 WeakPolarHBondContact CB-O 3.39Å; I819-D892 PolarHBondContact N-O 2.75Å; K837-D892 WeakPolarHBondContact CD-OD1 3.35Å; K837-D892 IonicContact NZ-OD1 3.34Å
893	V	92	Very high	85.9	Confident	61 Å²	61	80.8 Å²	80.8	37%	0.37	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	128.9	169.2	-169.9	0	0	0	0	108.5	I819 R821 I824	I819-V893 CarbonylContact O-C 3.34Å; I819-V893 WeakPolarHBondContact O-CA 3.28Å; R821-V893 HydrophobicContact CB-CG1 3.63Å; R821-V893 HydrophobicContact CG-CG1 4.23Å; I824-V893 HydrophobicContact CD1-CG2 3.77Å
894	C	91.7	Very high	86.2	Confident	15 Å²	15	76.5 Å²	76.5	10%	0.101	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-61.9	135.3	178.7	-63.2	0	0	0	0	111	C818 I819 L900	C818-C894 HydrophobicContact CB-CB 4.02Å; C818-C894 WeakPolarHBondContact CB-SG 3.47Å; C818-C894 PolarHBondContact O-SG 2.82Å; C818-C894 WeakPolarHBondContact SG-CA 3.38Å; C818-C894 WeakPolarHBondContact SG-CB 3.33Å; C818-C894 CovalentContact SG-SG 2.05Å; C818-C894 PolarHBondContact SG-SG 3.43Å; I819-C894 PolarHBondContact N-SG 3.03Å; I819-C894 VanDerWaalsContact N-SG 3.43Å; I819-C894 PolarHBondContact O-N 2.66Å; C894-L900 HydrophobicContact CB-CD2 3.94Å; C894-L900 VanDerWaalsContact SG-CD2 3.52Å
895	P	90.4	Very high	86	Confident	82 Å²	82	75.8 Å²	75.8	53%	0.532	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-61.5	142.4	171.8	-18.9	30	0	0	0	111.1	N897 K898	P895-N897 PolarHBondContact O-N 2.05Å; P895-N897 VanDerWaalsContact O-N 3.09Å; P895-K898 HydrophobicContact CB-CB 4.21Å; P895-K898 HydrophobicContact CG-CB 4.27Å; P895-K898 WeakPolarHBondContact O-CB 3.14Å; P895-K898 PolarHBondContact O-N 3.44Å
896	E	84	Confident	85.4	Confident	181 Å²	181	76 Å²	76	85%	0.846	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.7	-177.1	-66.4	179	178.1	0	0	113.5
897	N	84	Confident	84.2	Confident	161 Å²	161	76 Å²	76	86%	0.861	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	3.7	-179.2	-64.6	-7.9	0	0	0	114	P895	P895-N897 PolarHBondContact O-N 2.05Å; P895-N897 VanDerWaalsContact O-N 3.09Å
898	K	83.6	Confident	82.7	Confident	86 Å²	86	71.5 Å²	71.5	37%	0.374	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-79.2	128.1	-179.2	-175.7	178.7	176.4	-177.9	0	109.9	N816 P895 L900	N816-K898 PolarHBondContact O-NZ 2.97Å; P895-K898 HydrophobicContact CB-CB 4.21Å; P895-K898 HydrophobicContact CG-CB 4.27Å; P895-K898 WeakPolarHBondContact O-CB 3.14Å; P895-K898 PolarHBondContact O-N 3.44Å; K898-L900 HydrophobicContact CD-CD2 4.32Å; K898-L900 HydrophobicContact CG-CD2 4.34Å; K898-L900 PolarHBondContact O-N 2.7Å
899	T	84.6	Confident	80.9	Confident	131 Å²	131	71.3 Å²	71.3	80%	0.804	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-69	120.8	167.7	47.8	0	0	0	0	109.7
900	L	86.2	Confident	78.7	Confident	48 Å²	48	73.7 Å²	73.7	25%	0.251	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-95.9	132.6	-178	-58.8	176.4	0	0	0	110.6	N816 E820 C894 K898	N816-L900 HydrophobicContact CB-CD2 4.48Å; N816-L900 WeakPolarHBondContact OD1-CA 3.05Å; E820-L900 HydrophobicContact CG-CD1 3.37Å; E820-L900 WeakPolarHBondContact OE1-CD1 3.5Å; C894-L900 HydrophobicContact CB-CD2 3.94Å; C894-L900 VanDerWaalsContact SG-CD2 3.52Å; K898-L900 HydrophobicContact CD-CD2 4.32Å; K898-L900 HydrophobicContact CG-CD2 4.34Å; K898-L900 PolarHBondContact O-N 2.7Å
901	V	85.3	Confident	76.5	Confident	59 Å²	59	77.7 Å²	77.7	36%	0.358	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-77.1	128.5	168.1	-177.4	0	0	0	0	107.8	N816	N816-V901 PolarHBondContact ND2-O 3.14Å; N816-V901 PolarHBondContact OD1-N 2.84Å
902	R	84.2	Confident	74.3	Confident	156 Å²	156	84 Å²	84	59%	0.589	43%	0.425	S	S	*	.			trans	-127.1	119.6	176.5	-67.2	-173.4	175.8	-171	2	108.1	E820	E820-R902 VanDerWaalsContact CD-NH2 3.26Å; E820-R902 IonicContact OE1-CZ 3Å; E820-R902 IonicContact OE1-NE 2.7Å; E820-R902 IonicContact OE1-NH2 3.65Å; E820-R902 PolarHBondContact OE1-NH2 3.06Å; E820-R902 IonicContact OE2-NH2 2.72Å; E820-R902 PolarHBondContact OE2-NH2 2.89Å
903	H	82	Confident	72.2	Confident	33 Å²	33	81 Å²	81	15%	0.153	41%	0.412	C	S	.	.			trans	-92.2	142.1	174.5	-63.9	-72.8	0	0	0	110.3	C808 M811 S812 E815 H908	C808-H903 HydrophobicContact CB-CB 4.37Å; M811-H903 HydrophobicContact CE-CB 3.52Å; S812-H903 PolarHBondContact OG-N 2.86Å; E815-H903 IonicContact OE2-CD2 2.83Å; E815-H903 IonicContact OE2-CE1 3.51Å; E815-H903 PolarHBondContact OE2-CE1 2.85Å; E815-H903 IonicContact OE2-NE2 3.68Å; E815-H903 PolarHBondContact OE2-NE2 3.19Å; H903-H908 AromaticContact ND1-NE2 3.73Å
904	K	77	Confident	70.6	Confident	126 Å²	126	78.3 Å²	78.3	55%	0.548	40%	0.396	S	S	.	.			trans	-130.1	152.3	167.7	-63	-179.9	179.8	176.7	0	109.6	A906 D907	K904-A906 PolarHBondContact O-N 3.42Å; K904-A906 VanDerWaalsContact O-N 3.13Å; K904-D907 PolarHBondContact N-OD2 3.04Å; K904-D907 WeakPolarHBondContact O-CB 3.48Å; K904-D907 PolarHBondContact O-N 3.37Å
905	E	70.3	Confident	69.2	Low	21 Å²	21	78.8 Å²	78.8	10%	0.098	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-55.1	-35.2	176.7	-168.9	177.3	148.3	0	0	112.5	L692 D696 H699 C808 D907 H908	L692-E905 HydrophobicContact CD2-CG 3.66Å; D696-E905 PolarHBondContact N-OE2 3.13Å; D696-E905 VanDerWaalsContact N-OE2 3.11Å; D696-E905 PolarHBondContact OD1-N 3.24Å; H699-E905 IonicContact CE1-OE1 2.72Å; H699-E905 PolarHBondContact CE1-OE1 3.28Å; H699-E905 VanDerWaalsContact CE1-OE1 3.27Å; H699-E905 IonicContact CG-OE2 3.27Å; H699-E905 VanDerWaalsContact ND1-CD 3.3Å; H699-E905 IonicContact ND1-OE1 3.46Å; H699-E905 PolarHBondContact ND1-OE1 2.82Å; H699-E905 IonicContact ND1-OE2 3.21Å; H699-E905 PolarHBondContact ND1-OE2 2.65Å; C808-E905 PolarHBondContact SG-N 3.02Å; C808-E905 VanDerWaalsContact SG-N 3.38Å; E905-D907 VanDerWaalsContact C-N 3.31Å; E905-D907 PolarHBondContact O-N 2.93Å; E905-H908 PolarHBondContact O-N 3.49Å
906	A	61.3	Low	67.7	Low	64 Å²	64	81.3 Å²	81.3	53%	0.529	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-67.3	-25.2	179.3	0	0	0	0	0	114.5	K904 H908 N909	K904-A906 PolarHBondContact O-N 3.42Å; K904-A906 VanDerWaalsContact O-N 3.13Å; A906-H908 PolarHBondContact O-N 2.96Å; A906-H908 VanDerWaalsContact O-N 3.14Å; A906-N909 PolarHBondContact O-N 3.15Å
907	D	59	Low	66.4	Low	95 Å²	95	77.4 Å²	77.4	51%	0.508	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-67.7	-15.2	-177.3	-60.1	-28.3	0	0	0	112.1	K904 E905	K904-D907 PolarHBondContact N-OD2 3.04Å; K904-D907 WeakPolarHBondContact O-CB 3.48Å; K904-D907 PolarHBondContact O-N 3.37Å; E905-D907 VanDerWaalsContact C-N 3.31Å; E905-D907 PolarHBondContact O-N 2.93Å
908	H	54.5	Low	65.5	Low	44 Å²	44	73.5 Å²	73.5	20%	0.204	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-120	3.4	-171.7	-58.3	-47.8	0	0	0	114.1	N691 L693 H903 E905 A906	N691-H908 WeakPolarHBondContact CB-O 3.16Å; L693-H908 HydrophobicContact CB-CB 4.44Å; L693-H908 HydrophobicContact CD1-CB 3.78Å; H903-H908 AromaticContact ND1-NE2 3.73Å; E905-H908 PolarHBondContact O-N 3.49Å; A906-H908 PolarHBondContact O-N 2.96Å; A906-H908 VanDerWaalsContact O-N 3.14Å
909	N	52.3	Low	64.6	Low	44 Å²	44	74.3 Å²	74.3	24%	0.235	38%	0.381	C	S	.	.	S	Bend	trans	-75.8	166.5	174.3	-80.1	-18.5	0	0	0	111.4	E688 A906 Q911	E688-N909 PolarHBondContact O-OD1 2.91Å; E688-N909 VanDerWaalsContact O-OD1 3.11Å; A906-N909 PolarHBondContact O-N 3.15Å; N909-Q911 PolarHBondContact O-N 3.33Å
910	W	46.9	Very low	63.9	Low	58 Å²	58	71.5 Å²	71.5	22%	0.22	36%	0.361	C	S	.	.	S	Bend	trans	-68.6	22.1	-176.4	-67.5	40.2	0	0	0	114.5	M603 C611 C687 R690	M603-W910 HydrophobicContact SD-CZ3 4.49Å; C611-W910 HydrophobicContact CB-CH2 3.92Å; C611-W910 HydrophobicContact CB-CZ2 4.11Å; C611-W910 WeakPolarHBondContact SG-CH2 3.35Å; C687-W910 HydrophobicContact CB-CZ2 4.22Å; C687-W910 PolarHBondContact O-NE1 2.67Å; R690-W910 HydrophobicContact CB-CZ2 3.44Å; R690-W910 VanDerWaalsContact CB-CZ2 3.44Å; R690-W910 VanDerWaalsContact CD-CE2 3.44Å; R690-W910 VanDerWaalsContact CD-CH2 3.48Å; R690-W910 HydrophobicContact CG-CZ2 3.79Å
911	Q	49.9	Very low	63.3	Low	84 Å²	84	69.2 Å²	69.2	39%	0.393	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	97.5	-168.7	-78.1	-174.6	4.4	0	0	105.3	G519 N598 N909 G913	G519-Q911 PolarHBondContact O-NE2 3.02Å; N598-Q911 HydrophobicContact CB-CB 3.53Å; N598-Q911 HydrophobicContact CB-CG 3.8Å; N598-Q911 WeakPolarHBondContact ND2-CB 3.26Å; N598-Q911 PolarHBondContact ND2-OE1 3.32Å; N909-Q911 PolarHBondContact O-N 3.33Å; Q911-G913 PolarHBondContact O-N 2.89Å
912	Y	47.9	Very low	62.5	Low	139 Å²	139	68.6 Å²	68.6	55%	0.545	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	121.2	166.2	-78	-66.8	0	0	0	107.6	N598 T599 V601 A914	N598-Y912 PolarHBondContact OD1-O 2.98Å; T599-Y912 PolarHBondContact N-O 3.48Å; T599-Y912 VanDerWaalsContact N-O 3.13Å; V601-Y912 HydrophobicContact CB-CD2 4.4Å; V601-Y912 HydrophobicContact CB-CE2 4.17Å; V601-Y912 HydrophobicContact CG1-CE2 3.83Å; V601-Y912 HydrophobicContact CG2-CD2 3.49Å; V601-Y912 VanDerWaalsContact CG2-CD2 3.49Å; V601-Y912 HydrophobicContact CG2-CE2 3.44Å; V601-Y912 VanDerWaalsContact CG2-CE2 3.44Å; Y912-A914 PolarHBondContact O-N 2.99Å; Y912-A914 VanDerWaalsContact O-N 3.13Å
913	G	50	Low	61.8	Low	13 Å²	13	65.5 Å²	65.5	13%	0.134	34%	0.34	C	S	.	.			trans	-57.6	118.2	166.5	0	0	0	0	0	108.2	Q911 C915 I916	Q911-G913 PolarHBondContact O-N 2.89Å; G913-C915 PolarHBondContact O-N 3.24Å; G913-I916 WeakPolarHBondContact O-CB 3.35Å; G913-I916 PolarHBondContact O-N 3.46Å
914	A	57.3	Low	60.8	Low	4 Å²	4	68.3 Å²	68.3	3%	0.033	36%	0.356	C	S	.	.	H	α-helix	trans	-55.9	-20.5	-179	0	0	0	0	0	112.8	P595 Y912 I916 H918 C921	P595-A914 HydrophobicContact CB-CB 4.18Å; P595-A914 HydrophobicContact CG-CB 3.9Å; Y912-A914 PolarHBondContact O-N 2.99Å; Y912-A914 VanDerWaalsContact O-N 3.13Å; A914-I916 VanDerWaalsContact C-N 3.31Å; A914-I916 PolarHBondContact O-N 2.89Å; A914-H918 PolarHBondContact O-N 3Å; A914-C921 PolarHBondContact O-SG 3.02Å
915	C	62.7	Low	59.9	Low	25 Å²	25	64.8 Å²	64.8	17%	0.169	34%	0.344	C	S	.	.	H	α-helix	trans	-73.4	-14.2	175.7	-57	0	0	0	0	115.2	G913 H918 C922	G913-C915 PolarHBondContact O-N 3.24Å; C915-H918 WeakPolarHBondContact CA-O 3.42Å; C915-H918 CarbonylContact O-C 3.56Å; C915-C922 HydrophobicContact CB-CB 3.66Å; C915-C922 WeakPolarHBondContact CB-SG 3.3Å; C915-C922 WeakPolarHBondContact SG-CB 2.97Å; C915-C922 CovalentContact SG-SG 2.02Å; C915-C922 PolarHBondContact SG-SG 3.14Å
916	I	58.7	Low	59.1	Low	136 Å²	136	72.7 Å²	72.7	70%	0.697	38%	0.382	S	S	*	.	H	α-helix	trans	-76	-43.6	175.8	-60.3	173.4	0	0	0	110.6	G913 A914	G913-I916 WeakPolarHBondContact O-CB 3.35Å; G913-I916 PolarHBondContact O-N 3.46Å; A914-I916 VanDerWaalsContact C-N 3.31Å; A914-I916 PolarHBondContact O-N 2.89Å
917	E	56.2	Low	58.5	Low	99 Å²	99	72.6 Å²	72.6	46%	0.463	38%	0.375	S	S	.	.	H	α-helix	trans	-73	-37.6	175.8	-79.1	-165.9	140.7	0	0	111.9	K523	K523-E917 VanDerWaalsContact CE-OE1 3.23Å; K523-E917 WeakPolarHBondContact CE-OE1 3.47Å; K523-E917 WeakPolarHBondContact CE-OE2 3.33Å; K523-E917 IonicContact NZ-OE1 2.66Å; K523-E917 PolarHBondContact NZ-OE1 3.03Å; K523-E917 IonicContact NZ-OE2 2.83Å
918	H	65.9	Low	57.6	Low	79 Å²	79	73.1 Å²	73.1	37%	0.366	38%	0.376	S	S	.	.			trans	-133.1	91	-170.2	-77	-70.8	0	0	0	108.5	A914 C915 D920 C921	A914-H918 PolarHBondContact O-N 3Å; C915-H918 WeakPolarHBondContact CA-O 3.42Å; C915-H918 CarbonylContact O-C 3.56Å; H918-D920 VanDerWaalsContact CA-OD1 3.3Å; H918-D920 WeakPolarHBondContact CA-OD1 3.28Å; H918-D920 VanDerWaalsContact CB-OD1 3.23Å; H918-D920 WeakPolarHBondContact CB-OD1 3.31Å; H918-D920 IonicContact CG-OD1 3.79Å; H918-D920 IonicContact ND1-OD1 3.69Å; H918-D920 PolarHBondContact O-N 3.42Å; H918-D920 VanDerWaalsContact O-N 3.09Å; H918-C921 WeakPolarHBondContact CB-SG 3.42Å; H918-C921 WeakPolarHBondContact O-CB 3.4Å; H918-C921 PolarHBondContact O-N 3.2Å; H918-C921 PolarHBondContact O-SG 3.09Å
919	S	65.2	Low	56.9	Low	102 Å²	102	75.9 Å²	75.9	71%	0.713	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-58.7	-24.4	-179.6	58.1	0	0	0	0	112.6	C921 C922	S919-C921 PolarHBondContact O-N 2.96Å; S919-C922 PolarHBondContact O-N 3.44Å
920	D	68.8	Low	56.2	Low	72 Å²	72	83 Å²	83	39%	0.385	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-66.3	-17.4	172.2	57.3	-47.6	0	0	0	114.2	H918 C922 Q923	H918-D920 VanDerWaalsContact CA-OD1 3.3Å; H918-D920 WeakPolarHBondContact CA-OD1 3.28Å; H918-D920 VanDerWaalsContact CB-OD1 3.23Å; H918-D920 WeakPolarHBondContact CB-OD1 3.31Å; H918-D920 IonicContact CG-OD1 3.79Å; H918-D920 IonicContact ND1-OD1 3.69Å; H918-D920 PolarHBondContact O-N 3.42Å; H918-D920 VanDerWaalsContact O-N 3.09Å; D920-C922 VanDerWaalsContact C-N 3.3Å; D920-C922 PolarHBondContact O-N 2.66Å; D920-Q923 VanDerWaalsContact O-CD 3.25Å; D920-Q923 VanDerWaalsContact O-CG 3.25Å; D920-Q923 WeakPolarHBondContact O-CG 3.21Å; D920-Q923 PolarHBondContact O-NE2 3.12Å
921	C	73.5	Confident	55.6	Low	1 Å²	1	83 Å²	83	1%	0.007	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-67.4	-31.1	172.8	-60.4	0	0	0	0	112.7	C579 P595 A914 H918 S919	C579-C921 HydrophobicContact CB-CB 3.83Å; C579-C921 WeakPolarHBondContact CB-SG 3.32Å; C579-C921 VanDerWaalsContact SG-CA 3.55Å; C579-C921 WeakPolarHBondContact SG-CB 3.36Å; C579-C921 CovalentContact SG-SG 2.01Å; C579-C921 PolarHBondContact SG-SG 3.03Å; P595-C921 HydrophobicContact CG-CB 3.77Å; A914-C921 PolarHBondContact O-SG 3.02Å; H918-C921 WeakPolarHBondContact CB-SG 3.42Å; H918-C921 WeakPolarHBondContact O-CB 3.4Å; H918-C921 PolarHBondContact O-N 3.2Å; H918-C921 PolarHBondContact O-SG 3.09Å; S919-C921 PolarHBondContact O-N 2.96Å
922	C	69.7	Low	55.1	Low	45 Å²	45	83.6 Å²	83.6	30%	0.304	45%	0.447	S	S	.	.	S	Bend	trans	-111.3	74.5	-179.6	-82.2	0	0	0	0	110	R593 C915 S919 D920	R593-C922 WeakPolarHBondContact O-CA 3.32Å; C915-C922 HydrophobicContact CB-CB 3.66Å; C915-C922 WeakPolarHBondContact CB-SG 3.3Å; C915-C922 WeakPolarHBondContact SG-CB 2.97Å; C915-C922 CovalentContact SG-SG 2.02Å; C915-C922 PolarHBondContact SG-SG 3.14Å; S919-C922 PolarHBondContact O-N 3.44Å; D920-C922 VanDerWaalsContact C-N 3.3Å; D920-C922 PolarHBondContact O-N 2.66Å
923	Q	68.6	Low	54.9	Low	92 Å²	92	81.6 Å²	81.6	43%	0.43	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-99.9	141.4	-178.5	-78.2	173.3	-3.7	0	0	112.6	R593 D920	R593-Q923 PolarHBondContact N-O 2.77Å; D920-Q923 VanDerWaalsContact O-CD 3.25Å; D920-Q923 VanDerWaalsContact O-CG 3.25Å; D920-Q923 WeakPolarHBondContact O-CG 3.21Å; D920-Q923 PolarHBondContact O-NE2 3.12Å
924	D	61.9	Low	55	Low	92 Å²	92	89.4 Å²	89.4	49%	0.492	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	121.8	161.6	-71.9	-9.7	0	0	0	107.8	K592 E926	K592-D924 WeakPolarHBondContact CD-OD1 3.03Å; K592-D924 WeakPolarHBondContact CE-OD1 3.4Å; K592-D924 VanDerWaalsContact CG-OD1 3.3Å; K592-D924 WeakPolarHBondContact CG-OD1 3.46Å; K592-D924 IonicContact NZ-OD1 2.65Å; K592-D924 PolarHBondContact NZ-OD1 3.05Å; K592-D924 IonicContact NZ-OD2 2.66Å; K592-D924 PolarHBondContact NZ-OD2 2.9Å; D924-E926 PolarHBondContact O-N 3.49Å
925	V	57.9	Low	54.9	Low	51 Å²	51	96.2 Å²	96.2	31%	0.309	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	117.1	173	176.8	0	0	0	0	108.1	Y584 L591 T927	Y584-V925 HydrophobicContact CD1-CG2 4.27Å; Y584-V925 HydrophobicContact CE1-CB 4.34Å; Y584-V925 HydrophobicContact CE1-CG2 3.37Å; L591-V925 PolarHBondContact O-N 3.19Å; L591-V925 VanDerWaalsContact O-N 3.14Å; V925-T927 PolarHBondContact O-N 3.24Å
926	E	53.6	Low	54.4	Low	188 Å²	188	101.8 Å²	101.8	88%	0.879	53%	0.534	S	S	*	.			trans	-55.3	109.5	171.7	-70	-179	166.5	0	0	108.8	D924 I928	D924-E926 PolarHBondContact O-N 3.49Å; E926-I928 PolarHBondContact O-N 3.49Å
927	T	48	Very low	53.9	Low	62 Å²	62	103 Å²	103	38%	0.38	53%	0.532	S	S	.	.			trans	-75.6	123.6	-166.3	41.8	0	0	0	0	112.4	L591 V925 I929	L591-T927 HydrophobicContact CB-CG2 4.29Å; V925-T927 PolarHBondContact O-N 3.24Å; T927-I929 HydrophobicContact CG2-CD1 4.35Å; T927-I929 PolarHBondContact O-N 2.99Å; T927-I929 VanDerWaalsContact O-N 3.1Å
928	I	41.2	Very low	53.7	Low	105 Å²	105	101.6 Å²	101.6	54%	0.538	53%	0.532	S	S	.	.			trans	-78.5	34.7	161.2	-56.9	165.7	0	0	0	110.4	H552 E926	H552-I928 WeakPolarHBondContact CD2-CD1 3.41Å; H552-I928 WeakPolarHBondContact NE2-CD1 3.09Å; E926-I928 PolarHBondContact O-N 3.49Å
929	I	39.2	Very low	53.8	Low	103 Å²	103	103.4 Å²	103.4	53%	0.528	54%	0.541	S	S	.	.			trans	-101.6	97	170.8	-54.3	176	0	0	0	104.2	T927 A931	T927-I929 HydrophobicContact CG2-CD1 4.35Å; T927-I929 PolarHBondContact O-N 2.99Å; T927-I929 VanDerWaalsContact O-N 3.1Å; I929-A931 PolarHBondContact O-N 3.23Å
930	E	36.5	Very low	53.2	Low	193 Å²	193	103 Å²	103	90%	0.902	53%	0.53	S	S	*	.			trans	-58.7	89.8	163.2	-74.1	179.3	173.6	0	0	107
931	A	35.4	Very low	52.3	Low	59 Å²	59	104.7 Å²	104.7	49%	0.488	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-62.9	141.9	164.3	0	0	0	0	0	107.1	I929 T933	I929-A931 PolarHBondContact O-N 3.23Å; A931-T933 PolarHBondContact O-N 3.05Å
932	P	38.1	Very low	51.9	Low	95 Å²	95	107.5 Å²	107.5	62%	0.617	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-51.4	129.8	172	-19.9	29.7	0	0	0	108.8
933	T	44.6	Very low	51.7	Low	97 Å²	97	109.6 Å²	109.6	60%	0.595	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-51.6	140.9	-176.2	41.2	0	0	0	0	111.1	A931 E935 K936	A931-T933 PolarHBondContact O-N 3.05Å; T933-E935 PolarHBondContact O-N 3.22Å; T933-K936 PolarHBondContact O-N 2.95Å
934	E	52.1	Low	50.7	Low	177 Å²	177	109.8 Å²	109.8	83%	0.827	57%	0.567	S	S	*	*	H	α-helix	trans	-47.8	-31.3	-177.6	-149.8	170.4	-160.5	0	0	112.4	K936 Y937 S938	E934-K936 VanDerWaalsContact C-N 3.3Å; E934-K936 PolarHBondContact O-N 3.17Å; E934-Y937 PolarHBondContact O-N 2.94Å; E934-S938 PolarHBondContact O-N 3.34Å; E934-S938 VanDerWaalsContact O-N 3.07Å; E934-S938 PolarHBondContact O-OG 3.03Å
935	E	55.3	Low	50.3	Low	147 Å²	147	110.2 Å²	110.2	69%	0.687	57%	0.569	S	S	*	*	H	α-helix	trans	-50.8	-43.1	173.4	-71.2	-178.4	161.3	0	0	113.3	T933 S938 E939	T933-E935 PolarHBondContact O-N 3.22Å; E935-S938 VanDerWaalsContact C-OG 3.31Å; E935-S938 VanDerWaalsContact CA-OG 3.27Å; E935-S938 WeakPolarHBondContact CA-OG 3.37Å; E935-S938 PolarHBondContact O-N 3.38Å; E935-S938 PolarHBondContact O-OG 3.44Å; E935-E939 WeakPolarHBondContact O-CB 3.28Å; E935-E939 PolarHBondContact O-N 3Å
936	K	51.7	Low	50.5	Low	142 Å²	142	115.1 Å²	115.1	62%	0.617	59%	0.586	S	S	*	*	H	α-helix	trans	-72	-33.7	-176.3	-157.4	175	-172.9	177.5	0	112.3	T933 E934 I940	T933-K936 PolarHBondContact O-N 2.95Å; E934-K936 VanDerWaalsContact C-N 3.3Å; E934-K936 PolarHBondContact O-N 3.17Å; K936-I940 WeakPolarHBondContact O-CD1 3.29Å; K936-I940 VanDerWaalsContact O-CG1 3.24Å; K936-I940 WeakPolarHBondContact O-CG1 3.35Å; K936-I940 PolarHBondContact O-N 2.92Å; K936-I940 VanDerWaalsContact O-N 3.12Å
937	Y	48.9	Very low	50.3	Low	163 Å²	163	112.2 Å²	112.2	64%	0.639	58%	0.575	S	S	*	*	H	α-helix	trans	-69.8	-42.4	174.8	-108.7	-84.1	0	0	0	111.2	E934 I940 L941	E934-Y937 PolarHBondContact O-N 2.94Å; Y937-I940 PolarHBondContact O-N 3.34Å; Y937-L941 WeakPolarHBondContact O-CB 3.5Å; Y937-L941 WeakPolarHBondContact O-CG 3.38Å; Y937-L941 PolarHBondContact O-N 3.45Å
938	S	52.5	Low	50	Low	68 Å²	68	114.9 Å²	114.9	48%	0.476	58%	0.578	S	S	.	*	H	α-helix	trans	-65.6	-35.7	174.8	41.4	0	0	0	0	113	E934 E935 S942	E934-S938 PolarHBondContact O-N 3.34Å; E934-S938 VanDerWaalsContact O-N 3.07Å; E934-S938 PolarHBondContact O-OG 3.03Å; E935-S938 VanDerWaalsContact C-OG 3.31Å; E935-S938 VanDerWaalsContact CA-OG 3.27Å; E935-S938 WeakPolarHBondContact CA-OG 3.37Å; E935-S938 PolarHBondContact O-N 3.38Å; E935-S938 PolarHBondContact O-OG 3.44Å; S938-S942 WeakPolarHBondContact O-CB 3.45Å; S938-S942 PolarHBondContact O-N 3.31Å
939	E	66.5	Low	50.4	Low	118 Å²	118	114 Å²	114	55%	0.551	58%	0.58	S	S	*	*	H	α-helix	trans	-62.6	-47.3	174	-168	87.3	-145.6	0	0	110.6	E935 S942 Q943	E935-E939 WeakPolarHBondContact O-CB 3.28Å; E935-E939 PolarHBondContact O-N 3Å; E939-S942 PolarHBondContact O-N 3Å; E939-Q943 WeakPolarHBondContact O-CB 3.47Å; E939-Q943 WeakPolarHBondContact O-CG 3.45Å; E939-Q943 PolarHBondContact O-N 3.49Å
940	I	52.5	Low	50.8	Low	92 Å²	92	114 Å²	114	47%	0.472	58%	0.581	S	S	.	*	H	α-helix	trans	-62.8	-45.5	178.7	-69.6	165.9	0	0	0	110.9	K936 Y937 Q943 L944	K936-I940 WeakPolarHBondContact O-CD1 3.29Å; K936-I940 VanDerWaalsContact O-CG1 3.24Å; K936-I940 WeakPolarHBondContact O-CG1 3.35Å; K936-I940 PolarHBondContact O-N 2.92Å; K936-I940 VanDerWaalsContact O-N 3.12Å; Y937-I940 PolarHBondContact O-N 3.34Å; I940-Q943 PolarHBondContact O-N 3.25Å; I940-L944 HydrophobicContact CG2-CD1 3.79Å; I940-L944 WeakPolarHBondContact O-CB 3.24Å; I940-L944 PolarHBondContact O-N 3.44Å
941	L	50.7	Low	51.4	Low	108 Å²	108	106.5 Å²	106.5	57%	0.565	55%	0.549	S	S	*	.	H	α-helix	trans	-65.4	-39.6	178.2	-77.2	163.7	0	0	0	112.2	Y937 L944 D945	Y937-L941 WeakPolarHBondContact O-CB 3.5Å; Y937-L941 WeakPolarHBondContact O-CG 3.38Å; Y937-L941 PolarHBondContact O-N 3.45Å; L941-L944 PolarHBondContact O-N 2.92Å; L941-D945 WeakPolarHBondContact O-CB 3.47Å; L941-D945 PolarHBondContact O-N 2.94Å
942	S	64.2	Low	52.3	Low	60 Å²	60	106.7 Å²	106.7	42%	0.42	55%	0.546	S	S	.	.	H	α-helix	trans	-63.3	-40.3	174.3	171.4	0	0	0	0	112.5	S938 E939 K946	S938-S942 WeakPolarHBondContact O-CB 3.45Å; S938-S942 PolarHBondContact O-N 3.31Å; E939-S942 PolarHBondContact O-N 3Å; S942-K946 WeakPolarHBondContact O-CG 3.38Å; S942-K946 PolarHBondContact O-N 3.45Å
943	Q	66.7	Low	53.3	Low	90 Å²	90	109.3 Å²	109.3	42%	0.421	55%	0.548	S	S	.	.	H	α-helix	trans	-68.7	-39.4	175.5	-68.9	-75.7	-20.5	0	0	111.5	E939 I940 K946 I947	E939-Q943 WeakPolarHBondContact O-CB 3.47Å; E939-Q943 WeakPolarHBondContact O-CG 3.45Å; E939-Q943 PolarHBondContact O-N 3.49Å; I940-Q943 PolarHBondContact O-N 3.25Å; Q943-K946 PolarHBondContact O-N 2.94Å; Q943-I947 WeakPolarHBondContact O-CD1 3.4Å; Q943-I947 VanDerWaalsContact O-CG1 3.31Å; Q943-I947 WeakPolarHBondContact O-CG1 3.47Å; Q943-I947 PolarHBondContact O-N 3.48Å
944	L	47.1	Very low	54	Low	96 Å²	96	110.8 Å²	110.8	50%	0.503	55%	0.548	S	S	.	.	H	α-helix	trans	-65	-43.1	175.5	-91.7	152.5	0	0	0	112.2	I940 L941 K946 I947 W948	I940-L944 HydrophobicContact CG2-CD1 3.79Å; I940-L944 WeakPolarHBondContact O-CB 3.24Å; I940-L944 PolarHBondContact O-N 3.44Å; L941-L944 PolarHBondContact O-N 2.92Å; L944-K946 VanDerWaalsContact C-N 3.28Å; L944-K946 PolarHBondContact O-N 3.02Å; L944-I947 PolarHBondContact O-N 3.03Å; L944-W948 PolarHBondContact O-N 3.43Å
945	D	54.1	Low	54	Low	100 Å²	100	106 Å²	106	54%	0.535	53%	0.527	S	S	.	.	H	α-helix	trans	-67.1	-29	179.2	-159.2	54.2	0	0	0	112.1	L941 W948	L941-D945 WeakPolarHBondContact O-CB 3.47Å; L941-D945 PolarHBondContact O-N 2.94Å; D945-W948 CarbonylContact O-C 3.46Å
946	K	61.6	Low	54	Low	155 Å²	155	108 Å²	108	67%	0.674	53%	0.529	S	S	*	.	H	α-helix	trans	-69.1	-31	170.1	-80.1	179.3	-178.6	173.7	0	113.7	S942 Q943 L944	S942-K946 WeakPolarHBondContact O-CG 3.38Å; S942-K946 PolarHBondContact O-N 3.45Å; Q943-K946 PolarHBondContact O-N 2.94Å; L944-K946 VanDerWaalsContact C-N 3.28Å; L944-K946 PolarHBondContact O-N 3.02Å
947	I	48.6	Very low	54.5	Low	126 Å²	126	106.2 Å²	106.2	65%	0.646	52%	0.523	S	S	*	.	H	α-helix	trans	-86.7	-32.9	-179.7	-63.7	165.5	0	0	0	110.1	Q943 L944	Q943-I947 WeakPolarHBondContact O-CD1 3.4Å; Q943-I947 VanDerWaalsContact O-CG1 3.31Å; Q943-I947 WeakPolarHBondContact O-CG1 3.47Å; Q943-I947 PolarHBondContact O-N 3.48Å; L944-I947 PolarHBondContact O-N 3.03Å
948	W	41.7	Very low	54.8	Low	118 Å²	118	101.5 Å²	101.5	45%	0.447	51%	0.508	S	S	.	.	S	Bend	trans	-139	85.1	-174.6	-143.1	-57.6	0	0	0	110.5	L944 D945 D950 H983 V986	L944-W948 PolarHBondContact O-N 3.43Å; D945-W948 CarbonylContact O-C 3.46Å; W948-D950 PolarHBondContact O-N 3.27Å; W948-H983 AromaticContact CZ2-CE1 3.48Å; W948-H983 VanDerWaalsContact CZ2-CE1 3.48Å; W948-H983 WeakPolarHBondContact CZ2-CE1 3.34Å; W948-H983 AromaticContact CZ2-NE2 3.49Å; W948-H983 WeakPolarHBondContact CZ2-NE2 3.47Å; W948-V986 HydrophobicContact CH2-CB 4.46Å; W948-V986 HydrophobicContact CH2-CG1 4.29Å; W948-V986 HydrophobicContact CH2-CG2 4.04Å; W948-V986 HydrophobicContact CZ3-CG1 4.43Å
949	P	50.6	Low	54.6	Low	87 Å²	87	103.4 Å²	103.4	57%	0.565	51%	0.511	S	S	*	.			trans	-63.2	135.1	176.2	25.5	-32.3	0	0	0	109.6	P951	P949-P951 WeakPolarHBondContact O-CD 3.38Å
950	D	47.5	Very low	54.3	Low	102 Å²	102	104 Å²	104	55%	0.545	52%	0.517	S	S	.	.			trans	-63	111.2	175.1	178.6	5.1	0	0	0	110.6	W948 S952	W948-D950 PolarHBondContact O-N 3.27Å; D950-S952 PolarHBondContact O-N 3.26Å; D950-S952 WeakPolarHBondContact OD1-CB 3.28Å; D950-S952 PolarHBondContact OD1-N 2.95Å; D950-S952 PolarHBondContact OD1-OG 3.41Å; D950-S952 PolarHBondContact OD2-OG 3.38Å
951	P	48.5	Very low	54.7	Low	37 Å²	37	107.9 Å²	107.9	24%	0.24	53%	0.526	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-4.8	-176	33.5	-35.2	0	0	0	112.5	P949 K953 E954 I955 Y979	P949-P951 WeakPolarHBondContact O-CD 3.38Å; P951-K953 PolarHBondContact O-N 2.99Å; P951-K953 VanDerWaalsContact O-N 3.08Å; P951-E954 PolarHBondContact O-N 3.5Å; P951-E954 VanDerWaalsContact O-N 3.09Å; P951-I955 HydrophobicContact CB-CD1 4.14Å; P951-I955 HydrophobicContact CG-CD1 4.28Å; P951-I955 VanDerWaalsContact O-CG1 3.3Å; P951-I955 WeakPolarHBondContact O-CG1 3.46Å; P951-I955 PolarHBondContact O-N 3.04Å; P951-Y979 HydrophobicContact CG-CE2 4.49Å
952	S	55.8	Low	54.6	Low	62 Å²	62	110.7 Å²	110.7	43%	0.434	54%	0.536	S	S	.	.	H	α-helix	trans	-56.2	-31	-175.6	66.2	0	0	0	0	112.7	D950 R956	D950-S952 PolarHBondContact O-N 3.26Å; D950-S952 WeakPolarHBondContact OD1-CB 3.28Å; D950-S952 PolarHBondContact OD1-N 2.95Å; D950-S952 PolarHBondContact OD1-OG 3.41Å; D950-S952 PolarHBondContact OD2-OG 3.38Å; S952-R956 WeakPolarHBondContact O-CB 3.44Å; S952-R956 PolarHBondContact O-N 3.01Å
953	K	57.7	Low	54	Low	151 Å²	151	114.8 Å²	114.8	66%	0.657	55%	0.553	S	S	*	*	H	α-helix	trans	-74.3	-43.7	177.1	-154.8	-178	-177.5	-171.9	0	112.8	P951 R956 E957	P951-K953 PolarHBondContact O-N 2.99Å; P951-K953 VanDerWaalsContact O-N 3.08Å; K953-R956 WeakPolarHBondContact O-CB 3.37Å; K953-R956 PolarHBondContact O-N 3.12Å; K953-E957 PolarHBondContact O-N 3.23Å
954	E	60.2	Low	53.2	Low	128 Å²	128	117.9 Å²	117.9	60%	0.598	57%	0.567	S	S	*	*	H	α-helix	trans	-65.7	-41.4	176.2	-73.5	173.4	156.6	0	0	111.1	P951 R956 E957 I958	P951-E954 PolarHBondContact O-N 3.5Å; P951-E954 VanDerWaalsContact O-N 3.09Å; E954-R956 VanDerWaalsContact C-N 3.3Å; E954-R956 PolarHBondContact O-N 2.95Å; E954-E957 PolarHBondContact O-N 3.49Å; E954-I958 VanDerWaalsContact O-CG1 3.26Å; E954-I958 WeakPolarHBondContact O-CG1 3.45Å; E954-I958 PolarHBondContact O-N 2.76Å
955	I	52.6	Low	53.4	Low	75 Å²	75	120.8 Å²	120.8	39%	0.385	58%	0.584	S	S	.	*	H	α-helix	trans	-60.2	-41.9	173.8	-65.2	166.9	0	0	0	110.3	P951 I958 M959	P951-I955 HydrophobicContact CB-CD1 4.14Å; P951-I955 HydrophobicContact CG-CD1 4.28Å; P951-I955 VanDerWaalsContact O-CG1 3.3Å; P951-I955 WeakPolarHBondContact O-CG1 3.46Å; P951-I955 PolarHBondContact O-N 3.04Å; I955-I958 PolarHBondContact O-N 3.34Å; I955-M959 HydrophobicContact CG2-CG 4.47Å; I955-M959 WeakPolarHBondContact O-CB 3.44Å; I955-M959 WeakPolarHBondContact O-CG 3.45Å; I955-M959 PolarHBondContact O-N 3.21Å
956	R	54.2	Low	53.4	Low	189 Å²	189	124.3 Å²	124.3	71%	0.713	60%	0.597	S	S	*	*	H	α-helix	trans	-62.7	-42.9	174.7	-114.8	-178.2	-175.5	-177.6	2.8	112.5	S952 K953 E954 M959 L960	S952-R956 WeakPolarHBondContact O-CB 3.44Å; S952-R956 PolarHBondContact O-N 3.01Å; K953-R956 WeakPolarHBondContact O-CB 3.37Å; K953-R956 PolarHBondContact O-N 3.12Å; E954-R956 VanDerWaalsContact C-N 3.3Å; E954-R956 PolarHBondContact O-N 2.95Å; R956-M959 WeakPolarHBondContact O-CB 3.48Å; R956-M959 PolarHBondContact O-N 2.94Å; R956-L960 WeakPolarHBondContact O-CB 3.21Å; R956-L960 VanDerWaalsContact O-CG 3.29Å; R956-L960 WeakPolarHBondContact O-CG 3.44Å; R956-L960 PolarHBondContact O-N 3.49Å
957	E	61.8	Low	53	Low	106 Å²	106	122.2 Å²	122.2	50%	0.495	59%	0.59	S	S	.	*	H	α-helix	trans	-66.7	-35.6	177.3	-78.3	-172.8	-175.5	0	0	112.7	K953 E954 L960 R961	K953-E957 PolarHBondContact O-N 3.23Å; E954-E957 PolarHBondContact O-N 3.49Å; E957-L960 PolarHBondContact O-N 2.98Å; E957-R961 PolarHBondContact O-N 3.38Å
958	I	55.1	Low	53	Low	64 Å²	64	119.8 Å²	119.8	33%	0.328	57%	0.574	S	S	.	*	H	α-helix	trans	-68.5	-40	173.9	-66.7	164.9	0	0	0	110.5	E954 I955 L960 K968 L972	E954-I958 VanDerWaalsContact O-CG1 3.26Å; E954-I958 WeakPolarHBondContact O-CG1 3.45Å; E954-I958 PolarHBondContact O-N 2.76Å; I955-I958 PolarHBondContact O-N 3.34Å; I958-L960 VanDerWaalsContact C-N 3.33Å; I958-L960 PolarHBondContact O-N 2.73Å; I958-K968 WeakPolarHBondContact O-CE 3.38Å; I958-K968 PolarHBondContact O-NZ 3.32Å; I958-L972 HydrophobicContact CG2-CD1 4.19Å
959	M	49.4	Very low	53.6	Low	107 Å²	107	121.5 Å²	121.5	53%	0.527	59%	0.587	S	S	.	*	H	α-helix	trans	-60.7	-42	174.5	-76.4	-102.3	163.8	0	0	111.6	I955 R956 R961 K968 L972	I955-M959 HydrophobicContact CG2-CG 4.47Å; I955-M959 WeakPolarHBondContact O-CB 3.44Å; I955-M959 WeakPolarHBondContact O-CG 3.45Å; I955-M959 PolarHBondContact O-N 3.21Å; R956-M959 WeakPolarHBondContact O-CB 3.48Å; R956-M959 PolarHBondContact O-N 2.94Å; M959-R961 PolarHBondContact O-N 3.48Å; M959-K968 PolarHBondContact O-NZ 3.49Å; M959-K968 VanDerWaalsContact O-NZ 3.13Å; M959-L972 HydrophobicContact CE-CD2 4.09Å
960	L	60	Low	53.9	Low	132 Å²	132	122.8 Å²	122.8	69%	0.691	59%	0.589	S	S	*	*	H	α-helix	trans	-76.4	-15.4	-175.4	-73.8	168.9	0	0	0	115.3	R956 E957 I958 Q962	R956-L960 WeakPolarHBondContact O-CB 3.21Å; R956-L960 VanDerWaalsContact O-CG 3.29Å; R956-L960 WeakPolarHBondContact O-CG 3.44Å; R956-L960 PolarHBondContact O-N 3.49Å; E957-L960 PolarHBondContact O-N 2.98Å; I958-L960 VanDerWaalsContact C-N 3.33Å; I958-L960 PolarHBondContact O-N 2.73Å; L960-Q962 PolarHBondContact O-N 3.41Å; L960-Q962 VanDerWaalsContact O-N 3.12Å
961	R	60.2	Low	54.4	Low	173 Å²	173	122.7 Å²	122.7	65%	0.653	58%	0.584	S	S	*	*			trans	-73.3	103.3	169.7	-89.7	178.7	-99.9	-151	-5.6	109	E957 M959 K968	E957-R961 PolarHBondContact O-N 3.38Å; M959-R961 PolarHBondContact O-N 3.48Å; R961-K968 PolarHBondContact O-NZ 2.96Å
962	Q	49	Very low	54.8	Low	166 Å²	166	123.4 Å²	123.4	78%	0.776	59%	0.586	S	S	*	*			trans	-88.7	-4.9	-167.8	-82.6	-169.9	-44.2	0	0	115.6	L960	L960-Q962 PolarHBondContact O-N 3.41Å; L960-Q962 VanDerWaalsContact O-N 3.12Å
963	D	50.7	Low	55.1	Low	147 Å²	147	125.9 Å²	125.9	79%	0.786	59%	0.593	S	S	*	*			trans	-111.7	127.6	-174.1	-58.5	-45.4	0	0	0	110.4
964	E	51.9	Low	55.5	Low	154 Å²	154	124.5 Å²	124.5	72%	0.72	59%	0.59	S	S	*	*			trans	112.6	94.8	172.3	-59.4	178	-173.2	0	0	115
965	D	50.9	Low	55.6	Low	157 Å²	157	125.3 Å²	125.3	84%	0.84	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-3.3	-151.7	-78.1	-48.3	0	0	0	118.4
966	E	53	Low	56.2	Low	174 Å²	174	127.6 Å²	127.6	81%	0.813	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131	-24.5	-179.7	-82.2	-176	156.1	0	0	114.7	K968	E966-K968 PolarHBondContact O-N 3.37Å
967	E	52.9	Low	57	Low	112 Å²	112	120.1 Å²	120.1	52%	0.523	58%	0.578	S	S	.	*	H	α-helix	trans	-75	-16.2	178.5	-133.6	-168.7	177.4	0	0	112.6	K971	E967-K971 WeakPolarHBondContact O-CB 3.23Å; E967-K971 PolarHBondContact O-N 3.43Å; E967-K971 VanDerWaalsContact O-N 3.12Å; E967-K971 IonicContact OE1-NZ 3.44Å; E967-K971 PolarHBondContact OE1-NZ 3.11Å; E967-K971 IonicContact OE2-NZ 2.69Å; E967-K971 PolarHBondContact OE2-NZ 3.37Å
968	K	50.2	Low	57.7	Low	75 Å²	75	119.8 Å²	119.8	33%	0.326	58%	0.579	S	S	.	*	H	α-helix	trans	-71.8	-42.4	-173.6	-156.1	173.1	-177.3	176	0	112.8	I958 M959 R961 E966 N970 K971 L972	I958-K968 WeakPolarHBondContact O-CE 3.38Å; I958-K968 PolarHBondContact O-NZ 3.32Å; M959-K968 PolarHBondContact O-NZ 3.49Å; M959-K968 VanDerWaalsContact O-NZ 3.13Å; R961-K968 PolarHBondContact O-NZ 2.96Å; E966-K968 PolarHBondContact O-N 3.37Å; K968-N970 PolarHBondContact O-N 3.1Å; K968-K971 PolarHBondContact O-N 3.49Å; K968-L972 WeakPolarHBondContact O-CB 3.37Å; K968-L972 PolarHBondContact O-N 3.4Å
969	E	52.6	Low	58.5	Low	154 Å²	154	122 Å²	122	72%	0.72	58%	0.584	S	S	*	*	H	α-helix	trans	-62.9	-44.4	178.4	-81.2	-166.1	152	0	0	111.3	L972 I973	E969-L972 PolarHBondContact O-N 3.27Å; E969-I973 WeakPolarHBondContact O-CB 3.4Å; E969-I973 WeakPolarHBondContact O-CD1 3.2Å; E969-I973 WeakPolarHBondContact O-CG1 3.3Å; E969-I973 PolarHBondContact O-N 3.41Å
970	N	58	Low	59.4	Low	113 Å²	113	119.6 Å²	119.6	60%	0.604	58%	0.581	S	S	*	*	H	α-helix	trans	-66.5	-41.2	179.2	-75.8	-26.2	0	0	0	112.5	K968 M974	K968-N970 PolarHBondContact O-N 3.1Å; N970-M974 WeakPolarHBondContact O-CB 3.34Å; N970-M974 VanDerWaalsContact O-CG 3.3Å; N970-M974 WeakPolarHBondContact O-CG 3.47Å; N970-M974 PolarHBondContact O-N 3.36Å
971	K	58.7	Low	60.3	Low	101 Å²	101	117.7 Å²	117.7	44%	0.439	57%	0.574	S	S	.	*	H	α-helix	trans	-66.4	-41.6	175.6	-80.3	173.6	178.5	161.3	0	111.7	E967 K968 M974 Y975	E967-K971 WeakPolarHBondContact O-CB 3.23Å; E967-K971 PolarHBondContact O-N 3.43Å; E967-K971 VanDerWaalsContact O-N 3.12Å; E967-K971 IonicContact OE1-NZ 3.44Å; E967-K971 PolarHBondContact OE1-NZ 3.11Å; E967-K971 IonicContact OE2-NZ 2.69Å; E967-K971 PolarHBondContact OE2-NZ 3.37Å; K968-K971 PolarHBondContact O-N 3.49Å; K971-M974 PolarHBondContact O-N 3.36Å; K971-Y975 HydrophobicContact CB-CD2 4.49Å; K971-Y975 HydrophobicContact CB-CE2 4.33Å; K971-Y975 WeakPolarHBondContact O-CD2 3.25Å; K971-Y975 PolarHBondContact O-N 3.15Å
972	L	56.6	Low	61.2	Low	52 Å²	52	112.1 Å²	112.1	27%	0.272	56%	0.562	S	S	.	*	H	α-helix	trans	-64	-44.4	178.5	-135.4	89.8	0	0	0	111.6	I958 M959 K968 E969 M974 Y975 F976	I958-L972 HydrophobicContact CG2-CD1 4.19Å; M959-L972 HydrophobicContact CE-CD2 4.09Å; K968-L972 WeakPolarHBondContact O-CB 3.37Å; K968-L972 PolarHBondContact O-N 3.4Å; E969-L972 PolarHBondContact O-N 3.27Å; L972-M974 VanDerWaalsContact C-N 3.3Å; L972-M974 PolarHBondContact O-N 2.88Å; L972-Y975 PolarHBondContact O-N 3.45Å; L972-F976 HydrophobicContact CD2-CE2 4.42Å; L972-F976 WeakPolarHBondContact O-CB 3.49Å; L972-F976 PolarHBondContact O-N 3.39Å
973	I	62.1	Low	62.5	Low	114 Å²	114	106.8 Å²	106.8	59%	0.585	54%	0.537	S	S	*	.	H	α-helix	trans	-61.8	-40.5	176	-68.1	166.5	0	0	0	110.4	E969 G977	E969-I973 WeakPolarHBondContact O-CB 3.4Å; E969-I973 WeakPolarHBondContact O-CD1 3.2Å; E969-I973 WeakPolarHBondContact O-CG1 3.3Å; E969-I973 PolarHBondContact O-N 3.41Å; I973-G977 PolarHBondContact O-N 2.92Å
974	M	64.5	Low	63.5	Low	122 Å²	122	105.1 Å²	105.1	60%	0.601	53%	0.528	S	S	*	.	H	α-helix	trans	-63.9	-46.3	175.2	-81	-71.9	-70.2	0	0	112.6	N970 K971 L972 G977 I978	N970-M974 WeakPolarHBondContact O-CB 3.34Å; N970-M974 VanDerWaalsContact O-CG 3.3Å; N970-M974 WeakPolarHBondContact O-CG 3.47Å; N970-M974 PolarHBondContact O-N 3.36Å; K971-M974 PolarHBondContact O-N 3.36Å; L972-M974 VanDerWaalsContact C-N 3.3Å; L972-M974 PolarHBondContact O-N 2.88Å; M974-G977 PolarHBondContact O-N 3.35Å; M974-I978 VanDerWaalsContact O-CG1 3.31Å; M974-I978 WeakPolarHBondContact O-CG1 3.46Å; M974-I978 PolarHBondContact O-N 2.88Å
975	Y	64.2	Low	64.9	Low	144 Å²	144	104.6 Å²	104.6	57%	0.565	52%	0.523	S	S	*	.	H	α-helix	trans	-64	-43.7	177.6	-76.5	-63.4	0	0	0	112.1	K971 L972 G977 I978 Y979	K971-Y975 HydrophobicContact CB-CD2 4.49Å; K971-Y975 HydrophobicContact CB-CE2 4.33Å; K971-Y975 WeakPolarHBondContact O-CD2 3.25Å; K971-Y975 PolarHBondContact O-N 3.15Å; L972-Y975 PolarHBondContact O-N 3.45Å; Y975-G977 VanDerWaalsContact C-N 3.31Å; Y975-G977 PolarHBondContact O-N 2.85Å; Y975-I978 PolarHBondContact O-N 3.47Å; Y975-Y979 WeakPolarHBondContact O-CB 3.37Å; Y975-Y979 PolarHBondContact O-N 3.3Å
976	F	63.3	Low	66	Low	123 Å²	123	100.5 Å²	100.5	54%	0.539	50%	0.504	S	S	.	.	H	α-helix	trans	-62.7	-39.4	173.7	-97.7	-80.4	0	0	0	111.9	L972 Y979 A980	L972-F976 HydrophobicContact CD2-CE2 4.42Å; L972-F976 WeakPolarHBondContact O-CB 3.49Å; L972-F976 PolarHBondContact O-N 3.39Å; F976-Y979 PolarHBondContact O-N 2.89Å; F976-A980 VanDerWaalsContact O-CB 3.25Å; F976-A980 WeakPolarHBondContact O-CB 3.5Å; F976-A980 PolarHBondContact O-N 3.49Å
977	G	71.2	Confident	66.7	Low	33 Å²	33	95.5 Å²	95.5	34%	0.34	49%	0.487	S	S	.	.	H	α-helix	trans	-61.3	-48.9	175.1	0	0	0	0	0	112.4	I973 M974 Y975 Y979 A980 V981	I973-G977 PolarHBondContact O-N 2.92Å; M974-G977 PolarHBondContact O-N 3.35Å; Y975-G977 VanDerWaalsContact C-N 3.31Å; Y975-G977 PolarHBondContact O-N 2.85Å; G977-Y979 PolarHBondContact O-N 3.3Å; G977-A980 PolarHBondContact O-N 3.29Å; G977-V981 WeakPolarHBondContact O-CB 3.48Å; G977-V981 VanDerWaalsContact O-CG2 3.26Å; G977-V981 WeakPolarHBondContact O-CG2 3.3Å; G977-V981 PolarHBondContact O-N 2.82Å
978	I	77.7	Confident	67.8	Low	98 Å²	98	94.7 Å²	94.7	50%	0.503	49%	0.485	S	S	.	.	H	α-helix	trans	-62.2	-44.6	177.5	-66.7	165.6	0	0	0	110.6	M974 Y975 V981 S982	M974-I978 VanDerWaalsContact O-CG1 3.31Å; M974-I978 WeakPolarHBondContact O-CG1 3.46Å; M974-I978 PolarHBondContact O-N 2.88Å; Y975-I978 PolarHBondContact O-N 3.47Å; I978-V981 PolarHBondContact O-N 2.84Å; I978-S982 WeakPolarHBondContact O-CB 3.38Å; I978-S982 PolarHBondContact O-N 3.22Å; I978-S982 PolarHBondContact O-OG 3.31Å
979	Y	70.7	Confident	69	Low	110 Å²	110	94.4 Å²	94.4	43%	0.431	49%	0.492	S	S	.	.	H	α-helix	trans	-61.6	-46.5	177.9	179	-90.6	0	0	0	112	P951 Y975 F976 G977 S982 H983	P951-Y979 HydrophobicContact CG-CE2 4.49Å; Y975-Y979 WeakPolarHBondContact O-CB 3.37Å; Y975-Y979 PolarHBondContact O-N 3.3Å; F976-Y979 PolarHBondContact O-N 2.89Å; G977-Y979 PolarHBondContact O-N 3.3Å; Y979-S982 WeakPolarHBondContact O-CB 3.05Å; Y979-S982 PolarHBondContact O-N 2.84Å; Y979-H983 AromaticContact CD1-CE1 3.98Å; Y979-H983 AromaticContact CD1-ND1 3.69Å; Y979-H983 AromaticContact CD2-CE1 3.61Å; Y979-H983 AromaticContact CD2-ND1 3.87Å; Y979-H983 AromaticContact CE1-CE1 3.46Å; Y979-H983 VanDerWaalsContact CE1-CE1 3.46Å; Y979-H983 WeakPolarHBondContact CE1-CE1 3.31Å; Y979-H983 AromaticContact CE1-ND1 3.52Å; Y979-H983 AromaticContact CE1-NE2 3.93Å; Y979-H983 AromaticContact CE2-CE1 3.07Å; Y979-H983 WeakPolarHBondContact CE2-CE1 3.26Å; Y979-H983 AromaticContact CE2-ND1 3.73Å; Y979-H983 AromaticContact CE2-NE2 3.87Å; Y979-H983 AromaticContact CG-ND1 3.86Å; Y979-H983 AromaticContact CZ-CE1 2.97Å; Y979-H983 AromaticContact CZ-ND1 3.55Å; Y979-H983 AromaticContact CZ-NE2 3.41Å; Y979-H983 PolarHBondContact O-N 3.09Å; Y979-H983 PolarHBondContact O-ND1 2.9Å; Y979-H983 PolarHBondContact OH-CE1 3.44Å; Y979-H983 VanDerWaalsContact OH-CE1 3.28Å; Y979-H983 PolarHBondContact OH-NE2 3.38Å
980	A	70	Confident	69.7	Low	57 Å²	57	95.2 Å²	95.2	47%	0.471	49%	0.489	S	S	.	.	H	α-helix	trans	-63.6	-41.1	178.9	0	0	0	0	0	112.2	F976 G977 H983 L984	F976-A980 VanDerWaalsContact O-CB 3.25Å; F976-A980 WeakPolarHBondContact O-CB 3.5Å; F976-A980 PolarHBondContact O-N 3.49Å; G977-A980 PolarHBondContact O-N 3.29Å; A980-H983 PolarHBondContact O-N 2.85Å; A980-L984 WeakPolarHBondContact O-CB 3.38Å; A980-L984 PolarHBondContact O-N 3.19Å
981	V	78	Confident	70	Confident	92 Å²	92	94.4 Å²	94.4	56%	0.558	48%	0.484	S	S	*	.	H	α-helix	trans	-65.7	-41.2	175.7	172.2	0	0	0	0	110.9	G977 I978 H983 L984 F985	G977-V981 WeakPolarHBondContact O-CB 3.48Å; G977-V981 VanDerWaalsContact O-CG2 3.26Å; G977-V981 WeakPolarHBondContact O-CG2 3.3Å; G977-V981 PolarHBondContact O-N 2.82Å; I978-V981 PolarHBondContact O-N 2.84Å; V981-H983 VanDerWaalsContact C-N 3.34Å; V981-H983 PolarHBondContact O-N 3.4Å; V981-L984 PolarHBondContact O-N 3.34Å; V981-F985 PolarHBondContact O-N 2.95Å
982	S	79.1	Confident	70.5	Confident	57 Å²	57	97.1 Å²	97.1	40%	0.399	49%	0.491	S	S	.	.	H	α-helix	trans	-61	-43.8	176.3	-53.7	0	0	0	0	111.3	I978 Y979 F985 V986	I978-S982 WeakPolarHBondContact O-CB 3.38Å; I978-S982 PolarHBondContact O-N 3.22Å; I978-S982 PolarHBondContact O-OG 3.31Å; Y979-S982 WeakPolarHBondContact O-CB 3.05Å; Y979-S982 PolarHBondContact O-N 2.84Å; S982-F985 PolarHBondContact O-N 3.28Å; S982-V986 WeakPolarHBondContact O-CG2 3.32Å; S982-V986 PolarHBondContact O-N 3.03Å
983	H	76.3	Confident	71.1	Confident	54 Å²	54	104.3 Å²	104.3	25%	0.25	52%	0.515	C	S	.	.	H	α-helix	trans	-67.3	-41.4	177	-80.2	67.6	0	0	0	112.3	W948 Y979 A980 V981 F985 V986 C987	W948-H983 AromaticContact CZ2-CE1 3.48Å; W948-H983 VanDerWaalsContact CZ2-CE1 3.48Å; W948-H983 WeakPolarHBondContact CZ2-CE1 3.34Å; W948-H983 AromaticContact CZ2-NE2 3.49Å; W948-H983 WeakPolarHBondContact CZ2-NE2 3.47Å; Y979-H983 AromaticContact CD1-CE1 3.98Å; Y979-H983 AromaticContact CD1-ND1 3.69Å; Y979-H983 AromaticContact CD2-CE1 3.61Å; Y979-H983 AromaticContact CD2-ND1 3.87Å; Y979-H983 AromaticContact CE1-CE1 3.46Å; Y979-H983 VanDerWaalsContact CE1-CE1 3.46Å; Y979-H983 WeakPolarHBondContact CE1-CE1 3.31Å; Y979-H983 AromaticContact CE1-ND1 3.52Å; Y979-H983 AromaticContact CE1-NE2 3.93Å; Y979-H983 AromaticContact CE2-CE1 3.07Å; Y979-H983 WeakPolarHBondContact CE2-CE1 3.26Å; Y979-H983 AromaticContact CE2-ND1 3.73Å; Y979-H983 AromaticContact CE2-NE2 3.87Å; Y979-H983 AromaticContact CG-ND1 3.86Å; Y979-H983 AromaticContact CZ-CE1 2.97Å; Y979-H983 AromaticContact CZ-ND1 3.55Å; Y979-H983 AromaticContact CZ-NE2 3.41Å; Y979-H983 PolarHBondContact O-N 3.09Å; Y979-H983 PolarHBondContact O-ND1 2.9Å; Y979-H983 PolarHBondContact OH-CE1 3.44Å; Y979-H983 VanDerWaalsContact OH-CE1 3.28Å; Y979-H983 PolarHBondContact OH-NE2 3.38Å; A980-H983 PolarHBondContact O-N 2.85Å; V981-H983 VanDerWaalsContact C-N 3.34Å; V981-H983 PolarHBondContact O-N 3.4Å; H983-F985 VanDerWaalsContact C-N 3.27Å; H983-F985 PolarHBondContact O-N 2.71Å; H983-V986 PolarHBondContact O-N 3.19Å; H983-C987 WeakPolarHBondContact O-CB 3.45Å; H983-C987 PolarHBondContact O-N 3.45Å; H983-C987 PolarHBondContact O-SG 2.96Å
984	L	71.8	Confident	70.8	Confident	112 Å²	112	103.3 Å²	103.3	59%	0.586	51%	0.51	S	S	*	.	H	α-helix	trans	-60.4	-41.4	175.9	-167.2	75.9	0	0	0	110.7	A980 V981 C987 I988	A980-L984 WeakPolarHBondContact O-CB 3.38Å; A980-L984 PolarHBondContact O-N 3.19Å; V981-L984 PolarHBondContact O-N 3.34Å; L984-C987 PolarHBondContact O-N 3.45Å; L984-I988 HydrophobicContact CG-CD1 4.16Å; L984-I988 VanDerWaalsContact O-CG1 3.23Å; L984-I988 WeakPolarHBondContact O-CG1 3.41Å; L984-I988 PolarHBondContact O-N 3.18Å
985	F	80.3	Confident	70.7	Confident	142 Å²	142	103.4 Å²	103.4	62%	0.623	51%	0.513	S	S	*	.	H	α-helix	trans	-65.6	-43.3	177.9	-139.5	-86	0	0	0	112.1	V981 S982 H983 I988 C989	V981-F985 PolarHBondContact O-N 2.95Å; S982-F985 PolarHBondContact O-N 3.28Å; H983-F985 VanDerWaalsContact C-N 3.27Å; H983-F985 PolarHBondContact O-N 2.71Å; F985-I988 PolarHBondContact O-N 3.43Å; F985-C989 WeakPolarHBondContact O-CB 3.3Å; F985-C989 PolarHBondContact O-N 2.98Å; F985-C989 PolarHBondContact O-SG 3.43Å; F985-C989 VanDerWaalsContact O-SG 3.34Å
986	V	74.8	Confident	70.8	Confident	72 Å²	72	105.4 Å²	105.4	44%	0.436	52%	0.519	S	S	.	.	H	α-helix	trans	-65.2	-41.2	175.7	173.8	0	0	0	0	111.3	W948 S982 H983 I988 C989 W990	W948-V986 HydrophobicContact CH2-CB 4.46Å; W948-V986 HydrophobicContact CH2-CG1 4.29Å; W948-V986 HydrophobicContact CH2-CG2 4.04Å; W948-V986 HydrophobicContact CZ3-CG1 4.43Å; S982-V986 WeakPolarHBondContact O-CG2 3.32Å; S982-V986 PolarHBondContact O-N 3.03Å; H983-V986 PolarHBondContact O-N 3.19Å; V986-I988 VanDerWaalsContact C-N 3.35Å; V986-I988 PolarHBondContact O-N 3.2Å; V986-C989 PolarHBondContact O-N 3.12Å; V986-W990 WeakPolarHBondContact O-CB 3.48Å; V986-W990 PolarHBondContact O-N 2.99Å
987	C	67.1	Low	70.4	Confident	68 Å²	68	101 Å²	101	46%	0.459	51%	0.509	S	S	.	.	H	α-helix	trans	-60.6	-42.9	173.5	-79.8	0	0	0	0	111.9	H983 L984 W990 I991	H983-C987 WeakPolarHBondContact O-CB 3.45Å; H983-C987 PolarHBondContact O-N 3.45Å; H983-C987 PolarHBondContact O-SG 2.96Å; L984-C987 PolarHBondContact O-N 3.45Å; C987-W990 PolarHBondContact O-N 3.49Å; C987-I991 VanDerWaalsContact O-CG1 3.29Å; C987-I991 WeakPolarHBondContact O-CG1 3.48Å; C987-I991 PolarHBondContact O-N 3.06Å
988	I	76.5	Confident	69.8	Low	95 Å²	95	103.9 Å²	103.9	49%	0.487	52%	0.522	S	S	.	.	H	α-helix	trans	-63.9	-46.6	176.1	-69.2	164.8	0	0	0	110.4	L984 F985 V986 W990 I991 W992	L984-I988 HydrophobicContact CG-CD1 4.16Å; L984-I988 VanDerWaalsContact O-CG1 3.23Å; L984-I988 WeakPolarHBondContact O-CG1 3.41Å; L984-I988 PolarHBondContact O-N 3.18Å; F985-I988 PolarHBondContact O-N 3.43Å; V986-I988 VanDerWaalsContact C-N 3.35Å; V986-I988 PolarHBondContact O-N 3.2Å; I988-W990 VanDerWaalsContact C-N 3.27Å; I988-W990 PolarHBondContact O-N 3.11Å; I988-I991 PolarHBondContact O-N 3.32Å; I988-W992 WeakPolarHBondContact O-CB 3.36Å; I988-W992 PolarHBondContact O-N 3.33Å
989	C	76.2	Confident	68.8	Low	69 Å²	69	103.4 Å²	103.4	47%	0.466	52%	0.52	S	S	.	.	H	α-helix	trans	-59	-38.2	175.1	-73.2	0	0	0	0	112.2	F985 V986 W992 W993	F985-C989 WeakPolarHBondContact O-CB 3.3Å; F985-C989 PolarHBondContact O-N 2.98Å; F985-C989 PolarHBondContact O-SG 3.43Å; F985-C989 VanDerWaalsContact O-SG 3.34Å; V986-C989 PolarHBondContact O-N 3.12Å; C989-W992 PolarHBondContact O-N 2.88Å; C989-W993 WeakPolarHBondContact O-CB 3.29Å; C989-W993 PolarHBondContact O-N 3.46Å
990	W	67.1	Low	68.2	Low	172 Å²	172	102 Å²	102	65%	0.652	53%	0.525	S	S	*	.	H	α-helix	trans	-71.3	-42.5	179.4	-164.3	49.6	0	0	0	112.1	V986 C987 I988 W992 W993 I994	V986-W990 WeakPolarHBondContact O-CB 3.48Å; V986-W990 PolarHBondContact O-N 2.99Å; C987-W990 PolarHBondContact O-N 3.49Å; I988-W990 VanDerWaalsContact C-N 3.27Å; I988-W990 PolarHBondContact O-N 3.11Å; W990-W992 VanDerWaalsContact C-N 3.26Å; W990-W992 PolarHBondContact O-N 3.25Å; W990-W993 PolarHBondContact O-N 3.27Å; W990-I994 HydrophobicContact CD2-CD1 3.89Å; W990-I994 HydrophobicContact CE3-CD1 4.17Å; W990-I994 HydrophobicContact CG-CD1 4.33Å; W990-I994 HydrophobicContact CH2-CD1 4.47Å; W990-I994 HydrophobicContact CZ2-CD1 4.2Å; W990-I994 HydrophobicContact CZ3-CD1 4.44Å; W990-I994 VanDerWaalsContact O-CG1 3.3Å; W990-I994 WeakPolarHBondContact O-CG1 3.07Å; W990-I994 PolarHBondContact O-N 2.83Å
991	I	62.8	Low	67.7	Low	96 Å²	96	105.7 Å²	105.7	49%	0.492	53%	0.532	S	S	.	.	H	α-helix	trans	-59.9	-41	171	-68.3	169.5	0	0	0	110.1	C987 I988 I994 N995	C987-I991 VanDerWaalsContact O-CG1 3.29Å; C987-I991 WeakPolarHBondContact O-CG1 3.48Å; C987-I991 PolarHBondContact O-N 3.06Å; I988-I991 PolarHBondContact O-N 3.32Å; I991-I994 PolarHBondContact O-N 3.4Å; I991-N995 WeakPolarHBondContact O-CB 3.45Å; I991-N995 PolarHBondContact O-N 3.37Å; I991-N995 PolarHBondContact O-ND2 3.49Å
992	W	70	Confident	67.2	Low	158 Å²	158	107.6 Å²	107.6	60%	0.598	53%	0.533	S	S	*	.	H	α-helix	trans	-66.1	-36.7	177.1	-139.8	62.5	0	0	0	112.6	I988 C989 W990 R996	I988-W992 WeakPolarHBondContact O-CB 3.36Å; I988-W992 PolarHBondContact O-N 3.33Å; C989-W992 PolarHBondContact O-N 2.88Å; W990-W992 VanDerWaalsContact C-N 3.26Å; W990-W992 PolarHBondContact O-N 3.25Å; W992-R996 PolarHBondContact O-N 2.97Å
993	W	68.5	Low	66.8	Low	202 Å²	202	109.9 Å²	109.9	77%	0.765	54%	0.537	S	S	*	.	H	α-helix	trans	-67.2	-47.3	173.9	-168.4	-61.2	0	0	0	111.5	C989 W990 N995 R996 G997	C989-W993 WeakPolarHBondContact O-CB 3.29Å; C989-W993 PolarHBondContact O-N 3.46Å; W990-W993 PolarHBondContact O-N 3.27Å; W993-N995 VanDerWaalsContact C-N 3.28Å; W993-N995 PolarHBondContact O-N 3.4Å; W993-R996 CarbonylContact O-C 3.53Å; W993-R996 PolarHBondContact O-N 3.47Å; W993-R996 VanDerWaalsContact O-N 3.09Å; W993-G997 PolarHBondContact O-N 3.34Å
994	I	55.9	Low	66.1	Low	94 Å²	94	114.3 Å²	114.3	48%	0.482	55%	0.552	S	S	.	*	H	α-helix	trans	-59.5	-42.2	177.6	-68.4	166.9	0	0	0	110.2	W990 I991 R996 G997	W990-I994 HydrophobicContact CD2-CD1 3.89Å; W990-I994 HydrophobicContact CE3-CD1 4.17Å; W990-I994 HydrophobicContact CG-CD1 4.33Å; W990-I994 HydrophobicContact CH2-CD1 4.47Å; W990-I994 HydrophobicContact CZ2-CD1 4.2Å; W990-I994 HydrophobicContact CZ3-CD1 4.44Å; W990-I994 VanDerWaalsContact O-CG1 3.3Å; W990-I994 WeakPolarHBondContact O-CG1 3.07Å; W990-I994 PolarHBondContact O-N 2.83Å; I991-I994 PolarHBondContact O-N 3.4Å; I994-R996 VanDerWaalsContact C-N 3.25Å; I994-R996 PolarHBondContact O-N 3.47Å; I994-G997 PolarHBondContact O-N 2.96Å
995	N	62.4	Low	66.1	Low	124 Å²	124	114.9 Å²	114.9	66%	0.663	55%	0.551	S	S	*	*	H	α-helix	trans	-71.8	-15.2	178.9	-69.6	-21.4	0	0	0	114.1	I991 W993	I991-N995 WeakPolarHBondContact O-CB 3.45Å; I991-N995 PolarHBondContact O-N 3.37Å; I991-N995 PolarHBondContact O-ND2 3.49Å; W993-N995 VanDerWaalsContact C-N 3.28Å; W993-N995 PolarHBondContact O-N 3.4Å
996	R	66.3	Low	66	Low	185 Å²	185	112.9 Å²	112.9	70%	0.698	55%	0.547	S	S	*	.	H	α-helix	trans	-101.8	-11.2	171.4	-86.2	-170.6	173.9	167.6	0.3	113.7	W992 W993 I994	W992-R996 PolarHBondContact O-N 2.97Å; W993-R996 CarbonylContact O-C 3.53Å; W993-R996 PolarHBondContact O-N 3.47Å; W993-R996 VanDerWaalsContact O-N 3.09Å; I994-R996 VanDerWaalsContact C-N 3.25Å; I994-R996 PolarHBondContact O-N 3.47Å
997	G	55.2	Low	66.1	Low	32 Å²	32	115 Å²	115	33%	0.33	56%	0.556	S	S	.	*	S	Bend	trans	-61.3	142.6	175.9	0	0	0	0	0	110	W993 I994 D999	W993-G997 PolarHBondContact O-N 3.34Å; I994-G997 PolarHBondContact O-N 2.96Å; G997-D999 PolarHBondContact O-N 3.43Å
998	P	58.8	Low	66.4	Low	93 Å²	93	117.8 Å²	117.8	60%	0.604	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-55.2	140	168	24.7	-31.4	0	0	0	109.1	P1000 E1003	P998-P1000 WeakPolarHBondContact O-CD 3.43Å; P998-P1000 VanDerWaalsContact O-N 3.15Å; P998-E1003 HydrophobicContact CG-CG 4.44Å
999	D	58	Low	66.7	Low	87 Å²	87	116.9 Å²	116.9	47%	0.465	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-51.4	118.5	-179.1	-178.9	-7.6	0	0	0	110.4	G997 E1001 K1002 E1003	G997-D999 PolarHBondContact O-N 3.43Å; D999-E1001 PolarHBondContact O-N 2.9Å; D999-E1001 PolarHBondContact OD1-N 2.92Å; D999-K1002 HydrophobicContact CB-CB 3.88Å; D999-K1002 WeakPolarHBondContact O-CA 3.48Å; D999-K1002 WeakPolarHBondContact O-CB 3.41Å; D999-K1002 PolarHBondContact O-N 3.35Å; D999-E1003 PolarHBondContact O-N 3.4Å
1000	P	56	Low	67.1	Low	82 Å²	82	118.5 Å²	118.5	53%	0.532	56%	0.561	S	S	.	*	H	α-helix	trans	-64.7	-22	-176	25.3	-34.1	0	0	0	112.9	P998 R1004	P998-P1000 WeakPolarHBondContact O-CD 3.43Å; P998-P1000 VanDerWaalsContact O-N 3.15Å; P1000-R1004 PolarHBondContact O-N 2.89Å
1001	E	59.7	Low	67.7	Low	134 Å²	134	115.7 Å²	115.7	63%	0.626	56%	0.555	S	S	*	*	H	α-helix	trans	-70.8	-40.2	169.9	-72.6	-169.2	157	0	0	111.2	D999 R1004 E1005	D999-E1001 PolarHBondContact O-N 2.9Å; D999-E1001 PolarHBondContact OD1-N 2.92Å; E1001-R1004 WeakPolarHBondContact O-CB 3.2Å; E1001-R1004 PolarHBondContact O-N 3.32Å; E1001-E1005 PolarHBondContact O-N 2.93Å
1002	K	69.3	Low	68.6	Low	131 Å²	131	117.2 Å²	117.2	57%	0.57	56%	0.56	S	S	*	*	H	α-helix	trans	-69.2	-33.7	178.2	-159.4	171.7	-170.9	170.6	0	112.9	D999 N1006	D999-K1002 HydrophobicContact CB-CB 3.88Å; D999-K1002 WeakPolarHBondContact O-CA 3.48Å; D999-K1002 WeakPolarHBondContact O-CB 3.41Å; D999-K1002 PolarHBondContact O-N 3.35Å; K1002-N1006 WeakPolarHBondContact O-CB 3.44Å; K1002-N1006 VanDerWaalsContact O-CG 3.28Å; K1002-N1006 PolarHBondContact O-N 2.93Å; K1002-N1006 PolarHBondContact O-ND2 2.67Å
1003	E	70.5	Confident	69.4	Low	106 Å²	106	114.8 Å²	114.8	50%	0.495	55%	0.554	S	S	.	*	H	α-helix	trans	-67.9	-38.9	169.7	-87.9	-162.8	162.3	0	0	112.4	P998 D999 N1006 L1007	P998-E1003 HydrophobicContact CG-CG 4.44Å; D999-E1003 PolarHBondContact O-N 3.4Å; E1003-N1006 PolarHBondContact O-N 3.28Å; E1003-L1007 WeakPolarHBondContact O-CB 3.12Å; E1003-L1007 PolarHBondContact O-N 2.93Å
1004	R	61.2	Low	70.3	Confident	147 Å²	147	111.6 Å²	111.6	56%	0.555	55%	0.548	S	S	*	.	H	α-helix	trans	-61.8	-46.3	173.7	-97.2	-171	-72.6	-99.9	-1.6	111.8	P1000 E1001 N1006 L1007 E1008	P1000-R1004 PolarHBondContact O-N 2.89Å; E1001-R1004 WeakPolarHBondContact O-CB 3.2Å; E1001-R1004 PolarHBondContact O-N 3.32Å; R1004-N1006 VanDerWaalsContact C-N 3.33Å; R1004-N1006 PolarHBondContact O-N 2.88Å; R1004-L1007 PolarHBondContact O-N 3.04Å; R1004-E1008 WeakPolarHBondContact O-CG 3.48Å; R1004-E1008 PolarHBondContact O-N 2.88Å
1005	E	70.9	Confident	71.3	Confident	124 Å²	124	114.6 Å²	114.6	58%	0.579	55%	0.553	S	S	*	*	H	α-helix	trans	-60.1	-42.8	175.2	-80	-172.2	153.6	0	0	111.7	E1001 L1007 E1008 V1009	E1001-E1005 PolarHBondContact O-N 2.93Å; E1005-L1007 VanDerWaalsContact C-N 3.34Å; E1005-L1007 PolarHBondContact O-N 3.34Å; E1005-E1008 PolarHBondContact O-N 2.74Å; E1005-V1009 WeakPolarHBondContact O-CB 3.43Å; E1005-V1009 VanDerWaalsContact O-CG2 3.24Å; E1005-V1009 WeakPolarHBondContact O-CG2 3.27Å; E1005-V1009 PolarHBondContact O-N 3.47Å
1006	N	79.1	Confident	72.2	Confident	99 Å²	99	113.9 Å²	113.9	53%	0.529	55%	0.548	S	S	.	.	H	α-helix	trans	-64.2	-38.4	177.5	-77.3	-21.2	0	0	0	112.5	K1002 E1003 R1004 V1009 E1010	K1002-N1006 WeakPolarHBondContact O-CB 3.44Å; K1002-N1006 VanDerWaalsContact O-CG 3.28Å; K1002-N1006 PolarHBondContact O-N 2.93Å; K1002-N1006 PolarHBondContact O-ND2 2.67Å; E1003-N1006 PolarHBondContact O-N 3.28Å; R1004-N1006 VanDerWaalsContact C-N 3.33Å; R1004-N1006 PolarHBondContact O-N 2.88Å; N1006-V1009 PolarHBondContact O-N 3.33Å; N1006-E1010 WeakPolarHBondContact O-CG 3.42Å; N1006-E1010 PolarHBondContact O-N 3.49Å
1007	L	75.9	Confident	73	Confident	118 Å²	118	112.3 Å²	112.3	62%	0.618	55%	0.547	S	S	*	.	H	α-helix	trans	-67	-41.9	175.6	-82.9	161.3	0	0	0	111.8	E1003 R1004 E1005 V1009 E1010 E1011	E1003-L1007 WeakPolarHBondContact O-CB 3.12Å; E1003-L1007 PolarHBondContact O-N 2.93Å; R1004-L1007 PolarHBondContact O-N 3.04Å; E1005-L1007 VanDerWaalsContact C-N 3.34Å; E1005-L1007 PolarHBondContact O-N 3.34Å; L1007-V1009 VanDerWaalsContact C-N 3.33Å; L1007-V1009 PolarHBondContact O-N 2.9Å; L1007-E1010 PolarHBondContact O-N 2.96Å; L1007-E1011 PolarHBondContact O-N 3.31Å
1008	E	74.1	Confident	74.2	Confident	126 Å²	126	117.5 Å²	117.5	59%	0.589	56%	0.562	S	S	*	*	H	α-helix	trans	-62	-41	174.4	-73.6	178.5	177.1	0	0	111.3	R1004 E1005 E1011 E1012	R1004-E1008 WeakPolarHBondContact O-CG 3.48Å; R1004-E1008 PolarHBondContact O-N 2.88Å; E1005-E1008 PolarHBondContact O-N 2.74Å; E1008-E1011 PolarHBondContact O-N 3.39Å; E1008-E1012 WeakPolarHBondContact O-CB 3.47Å; E1008-E1012 PolarHBondContact O-N 3.13Å
1009	V	83.3	Confident	75.1	Confident	76 Å²	76	116.7 Å²	116.7	46%	0.461	56%	0.555	S	S	.	*	H	α-helix	trans	-65.2	-39.2	175.9	169.6	0	0	0	0	112.3	E1005 N1006 L1007 E1012 K1013	E1005-V1009 WeakPolarHBondContact O-CB 3.43Å; E1005-V1009 VanDerWaalsContact O-CG2 3.24Å; E1005-V1009 WeakPolarHBondContact O-CG2 3.27Å; E1005-V1009 PolarHBondContact O-N 3.47Å; N1006-V1009 PolarHBondContact O-N 3.33Å; L1007-V1009 VanDerWaalsContact C-N 3.33Å; L1007-V1009 PolarHBondContact O-N 2.9Å; V1009-E1012 PolarHBondContact O-N 3.46Å; V1009-K1013 WeakPolarHBondContact O-CG 3.24Å; V1009-K1013 PolarHBondContact O-N 2.98Å
1010	E	84.6	Confident	76.1	Confident	102 Å²	102	115.2 Å²	115.2	48%	0.477	56%	0.556	S	S	.	*	H	α-helix	trans	-70.8	-39.9	176.6	-72.8	-58.7	131.8	0	0	112.2	N1006 L1007 E1012 K1013 E1014	N1006-E1010 WeakPolarHBondContact O-CG 3.42Å; N1006-E1010 PolarHBondContact O-N 3.49Å; L1007-E1010 PolarHBondContact O-N 2.96Å; E1010-E1012 VanDerWaalsContact C-N 3.31Å; E1010-E1012 PolarHBondContact O-N 2.95Å; E1010-K1013 WeakPolarHBondContact O-CB 3.42Å; E1010-K1013 PolarHBondContact O-N 3.08Å; E1010-K1013 IonicContact OE1-NZ 2.71Å; E1010-K1013 PolarHBondContact OE1-NZ 3.24Å; E1010-E1014 PolarHBondContact O-N 3.2Å
1011	E	80	Confident	77.3	Confident	113 Å²	113	117.5 Å²	117.5	53%	0.528	56%	0.559	S	S	.	*	H	α-helix	trans	-60.1	-41.7	171.5	-92	-160.2	-167.8	0	0	111.7	L1007 E1008 K1013 E1014 R1015	L1007-E1011 PolarHBondContact O-N 3.31Å; E1008-E1011 PolarHBondContact O-N 3.39Å; E1011-K1013 VanDerWaalsContact C-N 3.34Å; E1011-K1013 PolarHBondContact O-N 3.41Å; E1011-E1014 PolarHBondContact O-N 3.07Å; E1011-R1015 WeakPolarHBondContact O-CG 3.5Å; E1011-R1015 PolarHBondContact O-N 3.39Å; E1011-R1015 IonicContact OE2-CZ 3.97Å; E1011-R1015 IonicContact OE2-NH2 3.03Å; E1011-R1015 PolarHBondContact OE2-NH2 2.91Å
1012	E	80.9	Confident	77.8	Confident	128 Å²	128	113.9 Å²	113.9	60%	0.598	55%	0.548	S	S	*	.	H	α-helix	trans	-66.6	-37	178.8	-167.1	128	-168.7	0	0	111.5	E1008 V1009 E1010 R1015 L1016	E1008-E1012 WeakPolarHBondContact O-CB 3.47Å; E1008-E1012 PolarHBondContact O-N 3.13Å; V1009-E1012 PolarHBondContact O-N 3.46Å; E1010-E1012 VanDerWaalsContact C-N 3.31Å; E1010-E1012 PolarHBondContact O-N 2.95Å; E1012-R1015 PolarHBondContact O-N 3.25Å; E1012-L1016 HydrophobicContact CG-CD1 4.45Å; E1012-L1016 WeakPolarHBondContact O-CB 3.26Å; E1012-L1016 VanDerWaalsContact O-CG 3.28Å; E1012-L1016 WeakPolarHBondContact O-CG 3.31Å; E1012-L1016 PolarHBondContact O-N 3.09Å
1013	K	87.5	Confident	77.8	Confident	107 Å²	107	112.6 Å²	112.6	47%	0.465	55%	0.547	S	S	.	.	H	α-helix	trans	-62.8	-40.2	172.1	-78.6	177.2	-171.5	165.8	0	112.6	V1009 E1010 E1011 L1016 K1017	V1009-K1013 WeakPolarHBondContact O-CG 3.24Å; V1009-K1013 PolarHBondContact O-N 2.98Å; E1010-K1013 WeakPolarHBondContact O-CB 3.42Å; E1010-K1013 PolarHBondContact O-N 3.08Å; E1010-K1013 IonicContact OE1-NZ 2.71Å; E1010-K1013 PolarHBondContact OE1-NZ 3.24Å; E1011-K1013 VanDerWaalsContact C-N 3.34Å; E1011-K1013 PolarHBondContact O-N 3.41Å; K1013-L1016 PolarHBondContact O-N 2.8Å; K1013-K1017 PolarHBondContact O-N 2.84Å
1014	E	86.1	Confident	77.8	Confident	136 Å²	136	110.4 Å²	110.4	64%	0.636	55%	0.547	S	S	*	.	H	α-helix	trans	-66	-44.9	176.3	-73	-157.1	150.3	0	0	111.5	E1010 E1011 L1016 K1017 E1018	E1010-E1014 PolarHBondContact O-N 3.2Å; E1011-E1014 PolarHBondContact O-N 3.07Å; E1014-L1016 VanDerWaalsContact C-N 3.29Å; E1014-L1016 PolarHBondContact O-N 3.38Å; E1014-K1017 WeakPolarHBondContact O-CB 3.46Å; E1014-K1017 PolarHBondContact O-N 2.96Å; E1014-K1017 VanDerWaalsContact O-N 3.12Å; E1014-E1018 PolarHBondContact O-N 3.39Å
1015	R	77.3	Confident	78	Confident	156 Å²	156	111.5 Å²	111.5	59%	0.589	56%	0.556	S	S	*	*	H	α-helix	trans	-58.6	-41.1	174.9	-69.3	176.4	-160.3	-110.7	3.8	111.7	E1011 E1012 E1018 V1019	E1011-R1015 WeakPolarHBondContact O-CG 3.5Å; E1011-R1015 PolarHBondContact O-N 3.39Å; E1011-R1015 IonicContact OE2-CZ 3.97Å; E1011-R1015 IonicContact OE2-NH2 3.03Å; E1011-R1015 PolarHBondContact OE2-NH2 2.91Å; E1012-R1015 PolarHBondContact O-N 3.25Å; R1015-E1018 PolarHBondContact O-N 3.07Å; R1015-V1019 VanDerWaalsContact O-CG2 3.28Å; R1015-V1019 WeakPolarHBondContact O-CG2 3.17Å; R1015-V1019 PolarHBondContact O-N 3.34Å
1016	L	80.8	Confident	77.3	Confident	109 Å²	109	113.5 Å²	113.5	57%	0.571	56%	0.563	S	S	*	*	H	α-helix	trans	-66.6	-35.5	177.4	-73.4	170.5	0	0	0	112.6	E1012 K1013 E1014 V1019 A1020	E1012-L1016 HydrophobicContact CG-CD1 4.45Å; E1012-L1016 WeakPolarHBondContact O-CB 3.26Å; E1012-L1016 VanDerWaalsContact O-CG 3.28Å; E1012-L1016 WeakPolarHBondContact O-CG 3.31Å; E1012-L1016 PolarHBondContact O-N 3.09Å; K1013-L1016 PolarHBondContact O-N 2.8Å; E1014-L1016 VanDerWaalsContact C-N 3.29Å; E1014-L1016 PolarHBondContact O-N 3.38Å; L1016-V1019 PolarHBondContact O-N 3.12Å; L1016-A1020 WeakPolarHBondContact O-CB 3.41Å; L1016-A1020 PolarHBondContact O-N 2.89Å
1017	K	84.7	Confident	75.9	Confident	152 Å²	152	114.4 Å²	114.4	66%	0.661	57%	0.572	S	S	*	*	H	α-helix	trans	-63.2	-46.6	172.5	-86.5	179.9	178.1	171.5	0	111.8	K1013 E1014 V1019 A1020 E1021	K1013-K1017 PolarHBondContact O-N 2.84Å; E1014-K1017 WeakPolarHBondContact O-CB 3.46Å; E1014-K1017 PolarHBondContact O-N 2.96Å; E1014-K1017 VanDerWaalsContact O-N 3.12Å; K1017-V1019 VanDerWaalsContact C-N 3.32Å; K1017-V1019 PolarHBondContact O-N 2.82Å; K1017-A1020 PolarHBondContact O-N 2.96Å; K1017-E1021 PolarHBondContact O-N 2.99Å
1018	E	79.2	Confident	74.4	Confident	141 Å²	141	117.7 Å²	117.7	66%	0.659	58%	0.581	S	S	*	*	H	α-helix	trans	-61	-42.5	177.5	-70.2	-170	157.6	0	0	111.8	E1014 R1015 E1021 S1022	E1014-E1018 PolarHBondContact O-N 3.39Å; R1015-E1018 PolarHBondContact O-N 3.07Å; E1018-E1021 PolarHBondContact O-N 3.19Å; E1018-S1022 WeakPolarHBondContact O-CB 3.5Å; E1018-S1022 PolarHBondContact O-N 3.12Å
1019	V	78.6	Confident	72.8	Confident	76 Å²	76	117.3 Å²	117.3	46%	0.461	59%	0.588	S	S	.	*	H	α-helix	trans	-62.7	-44.2	176.4	172	0	0	0	0	110.8	R1015 L1016 K1017 E1021 S1022 L1023	R1015-V1019 VanDerWaalsContact O-CG2 3.28Å; R1015-V1019 WeakPolarHBondContact O-CG2 3.17Å; R1015-V1019 PolarHBondContact O-N 3.34Å; L1016-V1019 PolarHBondContact O-N 3.12Å; K1017-V1019 VanDerWaalsContact C-N 3.32Å; K1017-V1019 PolarHBondContact O-N 2.82Å; V1019-E1021 PolarHBondContact O-N 3.27Å; V1019-S1022 PolarHBondContact O-N 3.35Å; V1019-S1022 PolarHBondContact O-OG 3.41Å; V1019-L1023 HydrophobicContact CG1-CD1 4.02Å; V1019-L1023 WeakPolarHBondContact O-CG 3.46Å; V1019-L1023 PolarHBondContact O-N 2.89Å
1020	A	79.4	Confident	70.6	Confident	57 Å²	57	119.4 Å²	119.4	47%	0.471	60%	0.603	S	S	.	*	H	α-helix	trans	-61.8	-42.6	177.6	0	0	0	0	0	112.3	L1016 K1017 S1022 L1023 A1024	L1016-A1020 WeakPolarHBondContact O-CB 3.41Å; L1016-A1020 PolarHBondContact O-N 2.89Å; K1017-A1020 PolarHBondContact O-N 2.96Å; A1020-S1022 VanDerWaalsContact C-N 3.33Å; A1020-S1022 PolarHBondContact O-N 2.9Å; A1020-L1023 PolarHBondContact O-N 2.8Å; A1020-A1024 WeakPolarHBondContact O-CB 3.19Å; A1020-A1024 PolarHBondContact O-N 2.9Å
1021	E	79.3	Confident	68.2	Low	130 Å²	130	126.5 Å²	126.5	61%	0.607	63%	0.626	S	S	*	*	H	α-helix	trans	-64.1	-38.3	174.6	-74.2	-170.2	172.6	0	0	112.3	K1017 E1018 V1019 L1023 A1024 K1025	K1017-E1021 PolarHBondContact O-N 2.99Å; E1018-E1021 PolarHBondContact O-N 3.19Å; V1019-E1021 PolarHBondContact O-N 3.27Å; E1021-L1023 VanDerWaalsContact C-N 3.33Å; E1021-L1023 PolarHBondContact O-N 3.06Å; E1021-A1024 PolarHBondContact O-N 3.34Å; E1021-K1025 PolarHBondContact O-N 2.69Å; E1021-K1025 VanDerWaalsContact O-N 3.11Å
1022	S	71	Confident	66.1	Low	57 Å²	57	132.7 Å²	132.7	40%	0.399	64%	0.644	S	S	.	*	H	α-helix	trans	-65.4	-37.1	176.8	86	0	0	0	0	112.3	E1018 V1019 A1020 K1026	E1018-S1022 WeakPolarHBondContact O-CB 3.5Å; E1018-S1022 PolarHBondContact O-N 3.12Å; V1019-S1022 PolarHBondContact O-N 3.35Å; V1019-S1022 PolarHBondContact O-OG 3.41Å; A1020-S1022 VanDerWaalsContact C-N 3.33Å; A1020-S1022 PolarHBondContact O-N 2.9Å; S1022-K1026 PolarHBondContact O-N 2.9Å
1023	L	70.3	Confident	63.8	Low	105 Å²	105	138 Å²	138	55%	0.55	66%	0.659	S	S	.	*	H	α-helix	trans	-71.1	-40.9	176.8	-75.1	167.7	0	0	0	111.4	V1019 A1020 E1021 K1025 K1026 T1027	V1019-L1023 HydrophobicContact CG1-CD1 4.02Å; V1019-L1023 WeakPolarHBondContact O-CG 3.46Å; V1019-L1023 PolarHBondContact O-N 2.89Å; A1020-L1023 PolarHBondContact O-N 2.8Å; E1021-L1023 VanDerWaalsContact C-N 3.33Å; E1021-L1023 PolarHBondContact O-N 3.06Å; L1023-K1025 VanDerWaalsContact C-N 3.28Å; L1023-K1025 PolarHBondContact O-N 3.26Å; L1023-K1026 PolarHBondContact O-N 3.39Å; L1023-K1026 VanDerWaalsContact O-N 3.11Å; L1023-T1027 PolarHBondContact O-N 3.43Å; L1023-T1027 PolarHBondContact O-OG1 3.19Å
1024	A	70	Confident	61.3	Low	60 Å²	60	139.1 Å²	139.1	50%	0.496	68%	0.677	S	S	.	*	H	α-helix	trans	-63.3	-32.3	176.4	0	0	0	0	0	112.8	A1020 E1021 T1027	A1020-A1024 WeakPolarHBondContact O-CB 3.19Å; A1020-A1024 PolarHBondContact O-N 2.9Å; E1021-A1024 PolarHBondContact O-N 3.34Å; A1024-T1027 PolarHBondContact O-OG1 2.93Å
1025	K	65.2	Low	58.9	Low	170 Å²	170	138.2 Å²	138.2	74%	0.739	69%	0.686	S	S	*	*	H	α-helix	trans	-70.5	-31.8	173.4	-79.2	176	-180	166.7	0	112.8	E1021 L1023	E1021-K1025 PolarHBondContact O-N 2.69Å; E1021-K1025 VanDerWaalsContact O-N 3.11Å; L1023-K1025 VanDerWaalsContact C-N 3.28Å; L1023-K1025 PolarHBondContact O-N 3.26Å
1026	K	56.6	Low	56.7	Low	165 Å²	165	134.4 Å²	134.4	72%	0.717	70%	0.695	S	S	*	*	H	α-helix	trans	-76.4	-22.9	-178.3	-81.8	-178.3	177	174.8	0	114.2	S1022 L1023 K1028	S1022-K1026 PolarHBondContact O-N 2.9Å; L1023-K1026 PolarHBondContact O-N 3.39Å; L1023-K1026 VanDerWaalsContact O-N 3.11Å; K1026-K1028 VanDerWaalsContact C-N 3.33Å; K1026-K1028 PolarHBondContact O-N 2.9Å
1027	T	49.8	Very low	54.1	Low	118 Å²	118	134.7 Å²	134.7	72%	0.724	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	0.5	-177.7	40.4	0	0	0	0	115	L1023 A1024	L1023-T1027 PolarHBondContact O-N 3.43Å; L1023-T1027 PolarHBondContact O-OG1 3.19Å; A1024-T1027 PolarHBondContact O-OG1 2.93Å
1028	K	44.3	Very low	51.4	Low	187 Å²	187	136.6 Å²	136.6	81%	0.813	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	18	-177.9	-88.3	-170.5	177.6	179.6	0	116.8	K1026	K1026-K1028 VanDerWaalsContact C-N 3.33Å; K1026-K1028 PolarHBondContact O-N 2.9Å
1029	T	39	Very low	48.9	Very low	118 Å²	118	134 Å²	134	72%	0.724	71%	0.712	S	S	*	*			trans	-103.5	116.4	174	42.9	0	0	0	0	112.5	R1031	T1029-R1031 PolarHBondContact O-N 3.44Å
1030	P	38.1	Very low	46.5	Very low	121 Å²	121	137.2 Å²	137.2	79%	0.786	73%	0.727	S	S	*	*			trans	-71.3	129.7	-178.3	-12.2	26.3	0	0	0	112	R1032	P1030-R1032 PolarHBondContact O-N 3.37Å; P1030-R1032 VanDerWaalsContact O-N 3.15Å
1031	R	33.6	Very low	43.9	Very low	250 Å²	250	139.7 Å²	139.7	94%	0.943	74%	0.74	S	S	*	*			trans	-59.6	108.9	172.8	-72.2	177.8	174.2	168.7	-2.5	110.8	T1029	T1029-R1031 PolarHBondContact O-N 3.44Å
1032	R	36.4	Very low	41.4	Very low	244 Å²	244	136.9 Å²	136.9	92%	0.921	75%	0.746	S	S	*	*			trans	-83.3	120.8	164.2	-76.1	-173.2	175.6	-179	-0.7	109.4	P1030	P1030-R1032 PolarHBondContact O-N 3.37Å; P1030-R1032 VanDerWaalsContact O-N 3.15Å
1033	R	32.5	Very low	39.4	Very low	238 Å²	238	144.1 Å²	144.1	90%	0.898	77%	0.771	S	S	*	*			trans	-72.1	137.8	173.4	-77	179.5	174.6	168.3	-2	110.2
1034	P	34.4	Very low	37.3	Very low	131 Å²	131	144.9 Å²	144.9	85%	0.851	78%	0.784	S	S	*	*			trans	-85	109.2	172.9	30.7	-26.8	0	0	0	109.6
1035	S	36	Very low	35.3	Very low	118 Å²	118	151.1 Å²	151.1	83%	0.825	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-95.1	118.1	170	53.1	0	0	0	0	109.3
1036	G	31	Very low	33.5	Very low	75 Å²	75	148.2 Å²	148.2	77%	0.773	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-67	161.3	-179	0	0	0	0	0	114.6
1037	S	27.1	Very low	31.9	Very low	115 Å²	115	151.7 Å²	151.7	80%	0.804	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-50.9	138.7	175.2	52.1	0	0	0	0	115.7
1038	F	27.6	Very low	31	Very low	193 Å²	193	154.4 Å²	154.4	85%	0.846	82%	0.815	S	S	*	*			trans	-160.5	124.1	139.5	-139.4	-110	0	0	0	112.8
1039	S	27.9	Very low	30.1	Very low	85 Å²	85	157.1 Å²	157.1	59%	0.594	82%	0.82	S	S	*	*			trans	49.5	128.3	147.1	71.2	0	0	0	0	123.8
1040	D	28.1	Very low	29.5	Very low	145 Å²	145	160 Å²	160	78%	0.775	82%	0.823	S	S	*	*				89.8	105	125.7	-89.8	-17.1	0	0	0	122.5
1041	S	24.7	Very low	28.9	Very low	109 Å²	109	159.9 Å²	159.9	76%	0.762	82%	0.824	S	S	*	*				45.3	111.7	121.6	72.5	0	0	0	0	118.6
1042	G	26.7	Very low	28.6	Very low	71 Å²	71	151 Å²	151	73%	0.732	81%	0.811	S	S	*	*			trans	164.2	112.6	153.8	0	0	0	0	0	115.8
1043	K	29.1	Very low	28.2	Very low	209 Å²	209	149.6 Å²	149.6	91%	0.909	81%	0.812	S	S	*	*			trans	84.9	95.2	146.7	-60.3	177.5	179.2	172.1	0	118.2
1044	S	24.7	Very low	27.8	Very low	120 Å²	120	149.7 Å²	149.7	84%	0.839	81%	0.812	S	S	*	*			trans	-38.4	127.6	135.2	141.6	0	0	0	0	112.9
1045	K	28.6	Very low	27.7	Very low	192 Å²	192	154.4 Å²	154.4	84%	0.835	81%	0.813	S	S	*	*			trans	-164.2	132.1	147	-108.9	179.3	-177.2	-173.3	0	111.2
1046	S	27.4	Very low	27.3	Very low	108 Å²	108	153.5 Å²	153.5	76%	0.755	81%	0.807	S	S	*	*			trans	49	108	153	57.2	0	0	0	0	118.3
1047	R	23.5	Very low	27	Very low	239 Å²	239	161.2 Å²	161.2	90%	0.902	81%	0.813	S	S	*	*				49.4	129.7	70.5	-109.8	-174.9	-174.6	177.5	1.3	114.7
1048	E	29.6	Very low	27.1	Very low	175 Å²	175	162 Å²	162	82%	0.818	81%	0.813	S	S	*	*			trans	97	92.6	164.9	-60.8	-177.5	179.9	0	0	118.8
1049	W	26.4	Very low	27.2	Very low	244 Å²	244	158.5 Å²	158.5	92%	0.924	81%	0.809	S	S	*	*				-158.8	114.7	118	-129.6	53.2	0	0	0	112.2
1050	F	26.4	Very low	27.4	Very low	178 Å²	178	159.4 Å²	159.4	78%	0.781	82%	0.822	S	S	*	*			trans	15.7	118	158.4	-71.2	-88.3	0	0	0	122.5
1051	S	24.8	Very low	27.4	Very low	118 Å²	118	161.1 Å²	161.1	83%	0.825	83%	0.831	S	S	*	*			trans	-64.5	142	140.1	55	0	0	0	0	112.2
1052	G	27.2	Very low	27.5	Very low	65 Å²	65	159.3 Å²	159.3	67%	0.67	83%	0.829	S	S	*	*			trans	156.5	87	154.2	0	0	0	0	0	114.9
1053	F	28.3	Very low	27.8	Very low	214 Å²	214	162.5 Å²	162.5	94%	0.939	84%	0.837	S	S	*	*			trans	-159.1	122.4	130.5	-110.8	-78.8	0	0	0	109.4
1054	R	24.5	Very low	27.9	Very low	239 Å²	239	158.1 Å²	158.1	90%	0.902	83%	0.833	S	S	*	*			trans	-128.9	123.2	-172.7	-162.2	-173.3	-160.4	-171.8	6	106.1
1055	R	32.2	Very low	28.1	Very low	231 Å²	231	160.9 Å²	160.9	87%	0.872	83%	0.832	S	S	*	*			trans	-176.3	96.8	163.6	-100.9	172.5	-171.8	-171.7	2.2	105.8
1056	S	27	Very low	28	Very low	99 Å²	99	157.7 Å²	157.7	69%	0.692	83%	0.834	S	S	*	*				62.7	109.9	68.9	79.1	0	0	0	0	116.1
1057	R	25.2	Very low	28.2	Very low	237 Å²	237	158.7 Å²	158.7	89%	0.894	84%	0.836	S	S	*	*			trans	60.3	136.1	136.6	-64.6	-178.9	-176.2	-179.8	0.1	117.3
1058	T	29.4	Very low	28.4	Very low	130 Å²	130	150.6 Å²	150.6	80%	0.798	83%	0.827	S	S	*	*			cis	-172	163.6	22.9	1.4	0	0	0	0	108
1059	P	30	Very low	28.5	Very low	120 Å²	120	151.1 Å²	151.1	78%	0.779	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-92.5	148.7	-171.8	34.9	-28.9	0	0	0	113.9
1060	A	30.9	Very low	28.4	Very low	105 Å²	105	150.9 Å²	150.9	87%	0.868	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-102	131.2	174.2	0	0	0	0	0	111.3
1061	L	28.5	Very low	28.7	Very low	181 Å²	181	149 Å²	149	95%	0.948	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-75.9	152.1	169.2	-80.2	96.4	0	0	0	111.6
1062	G	27.7	Very low	28.9	Very low	71 Å²	71	156.7 Å²	156.7	73%	0.732	85%	0.845	S	S	*	*			trans	151.4	116	156.9	0	0	0	0	0	114.3
1063	P	32	Very low	29	Very low	137 Å²	137	161.3 Å²	161.3	89%	0.89	85%	0.854	S	S	*	*			trans	-93.9	150.3	-171.1	36.5	-31.7	0	0	0	112.9
1064	S	31.4	Very low	29.1	Very low	118 Å²	118	158.5 Å²	158.5	83%	0.825	85%	0.849	S	S	*	*			trans	-128.9	109	166.7	51	0	0	0	0	111.5
1065	Q	29.8	Very low	29.3	Very low	177 Å²	177	154.1 Å²	154.1	83%	0.827	85%	0.846	S	S	*	*			trans	17.2	113.5	147.1	-66.2	174.9	-15.4	0	0	118.9	V1067	Q1065-V1067 PolarHBondContact O-N 3.44Å
1066	S	26.7	Very low	29.1	Very low	126 Å²	126	149.5 Å²	149.5	88%	0.881	85%	0.845	S	S	*	*			trans	-69.2	111.6	152.3	54.5	0	0	0	0	110.1
1067	V	31.5	Very low	29.3	Very low	129 Å²	129	152.7 Å²	152.7	78%	0.782	85%	0.854	S	S	*	*			trans	-109.8	124.8	163.8	175.4	0	0	0	0	107.3	Q1065	Q1065-V1067 PolarHBondContact O-N 3.44Å
1068	G	26.7	Very low	29.6	Very low	69 Å²	69	147.1 Å²	147.1	71%	0.711	85%	0.852	S	S	*	*			trans	-69.7	146.7	-179.5	0	0	0	0	0	113
1069	Q	31.4	Very low	29.6	Very low	185 Å²	185	148.3 Å²	148.3	86%	0.864	86%	0.856	S	S	*	*			trans	-132.3	107.4	155.7	-95.9	179.3	-28.8	0	0	108
1070	R	24.1	Very low	29.5	Very low	240 Å²	240	150.5 Å²	150.5	91%	0.906	86%	0.862	S	S	*	*			trans	-60.1	136.8	154.1	-84	175.7	169.8	170.5	-4.2	108.1
1071	N	33.3	Very low	29.4	Very low	139 Å²	139	154.3 Å²	154.3	74%	0.743	86%	0.861	S	S	*	*			trans	-161	123.3	150.8	-93.4	-24.4	0	0	0	110.1
1072	F	30	Very low	29.5	Very low	279 Å²	279	151.8 Å²	151.8	100%	1.224	85%	0.853	S	S	*	*			trans	68.1	0	167.7	-78.3	-87.8	0	0	0	120.3

Retrieved 1,072 of 1,072 residues in 339.3 ms (Link to these results)

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