A0A3Q0KSF6_SCHMA Loading...

DUF3715 domain-containing protein

AlphaFold DB (A0A5K4EXG9), UniProt , Accession A0A3Q0KSF6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,722 aa.

						>A0A3Q0KSF6_SCHMA|A0A3Q0KSF6
MTSRKRSSYKRKASVLAGLEALNSFKVPKKQSNLSLLQNVDLNSVDYSEEIYPQINQSFRFPQLSSYFNVEEAWFIHNKTLEDLFSQARKRFQKNPINNIVTGVESSLCTGFLVVNSWNDVEKIASDGLIPGNDPDTWLGQQKLGLSVNQCADLTIAREQSRLLGKSSNQFLYLIMVRWIKSRAYIVSPEAEKSKDRLEPQPGYACHVSTWSRMDLLDPSKLTLEQAFHLSQVYLYEFDEDLELRTKLEHVIPYAVLKCHWKLTSDVASKLDTISVASGSILIIPPQPDISCLLSLSRTALLPTPQIPRIQKKSSRGQSSHKPVMLNFDDRPKSKIAHSNVSECKDRYRYKATALLPSPTSLSNNSVLQSPPLNNTISSTVNSVTTVGSDDNSDQLSSPVQRSKRQDSGVLNIHIANARKLQANCNLFQFSECIKSIDNNTITNTSNTCSGGLINYDNRNHANTIVDELPSTVIGVSLLVWGYPKPEYSLAVEISSFRKGEITLFFYKKNCRLQPCLHIQRLVTHTSLHYELAGLQPWTNKPFDLNGPPVLVSVPRDQEWCLPRLNPIKASSLQSDPSPFGGYRGNYFRLTLHDESGGRRTEMAQLCQALQNSAMAGVVPMPCDESSIMFLFPECQFSKSIGIPIVDNLDRNFLHAILLTPHSLHRYPYSEMCCCRPNNDVVTPTSPFAVPATIPMGTSTDKLFGQRKTTSICASSMQLKLPLSSILTTLTDGGRNLLGSALISVLAHQNIVTDNNNNTEITNTRTLLNDNDRKVQHNPHLDPRLHRRQIHSTDEPDLYALATALISSAYQKKTENPTEEQSHLEEQQNKIQETGTTIHETHVETCDPKDLIPAPSSPEVGSEYHSVSLMDAQMIPKEIPLDGQTSNATTVVMNPILASSPSNFDSCNNLSVVHQNISVDMEIDNNDPCDQSSRLDKSDMEIDHPFGQLANTSPLTLKFHEPAPNPPKTTNWSCPSQLSILVSDYRRASSPNYRRSTPPPNDSHNSSTHCSTKSAVKRAHRLSAYADSKYNHKYNDYDQDTNHRSRSPSYHRSKSNSSFRGYHRSSPISKYSSNEKPKSTYSNHYHRSSGHSRSRNVRDRGRRTPRRRVHDEESPYRYSSRRHRRSPSYSDSDCYYHSRHYQSYSNDSSPITGTDSNSVTSIKGRSDYHHSNIKKRRERHPSKSQQLVRNSHQAAQYRKNDYVEVKSGYSKENIDHCQSYISIDNENNSDRINNKNNNTNTTTTNNNKGSSLNSSDNKSQDSIGDTNQSKNLKVDDNTNIHVACNTSIDVITSTNIPSVNYNKSVVDENEEGEVLDDDDDGDDCDNVNEELMQSKHHNNTNHSNTYRNSENRQIAHTSRDREHLKTRDKVITSHSASTPRKNSDKKGEQEEEDDEDSSVDPSSFQRLQVGYILNHLAKHGNVEPEPNLDTDRQIVISLDSSQSVSRDEDEYKLIDETFNSTELSDYSIQESEISLEDEDMRQSDRRSVKHYGNFYPSNIYRHMLRTRRIQKKRNDDSFSDRDDEVSNGHKGDTDYRRPPANWSNERHHRRPSLLGTYVDSSTSSGSESQPRYSFYRPRGSNSNFPKTNRKGVYSPRSSSLLPDDDMNRHILPRFQDLSSSSNSFHQLSSEYHPEITPHYRNKPRDQPLLGPPCIPIISCVNSAISHTPNPGLLPMTVRYPPPLPSPSSQFNSAVSSSQLWSSIHPFYNQTVNIYNQPSKPWQ
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.8	Very low	37.9	Very low	237 Å²	237	187.8 Å²	187.8	100%	1.167	89%	0.886	S	S	*	*				0	163.7	0	-79.9	-176.8	165.2	0	0	111
2	T	39.6	Very low	38.2	Very low	143 Å²	143	189.6 Å²	189.6	88%	0.877	89%	0.888	S	S	*	*			trans	54	107.9	170.7	55.5	0	0	0	0	118.2
3	S	33.9	Very low	38.3	Very low	120 Å²	120	182.1 Å²	182.1	84%	0.839	88%	0.878	S	S	*	*			trans	-70.3	144.5	-178.9	-39.3	0	0	0	0	114.4
4	R	38.5	Very low	38.2	Very low	248 Å²	248	177 Å²	177	94%	0.936	87%	0.871	S	S	*	*			trans	-102	109.6	154.2	-86.4	-175	167.9	-178.9	-3.1	109.8	R6	R4-R6 PolarHBondContact O-N 2.64Å
5	K	41.3	Very low	38.8	Very low	205 Å²	205	174.2 Å²	174.2	89%	0.891	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-62.5	124.9	170.3	-72.9	-178.8	175.5	178.1	0	109.5
6	R	35.4	Very low	39.1	Very low	235 Å²	235	172.9 Å²	172.9	89%	0.887	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-74.2	137.9	163.6	-82.1	-178.9	166.1	174.2	-4.2	109.1	R4	R4-R6 PolarHBondContact O-N 2.64Å
7	S	40.6	Very low	39.2	Very low	103 Å²	103	166 Å²	166	72%	0.72	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-89.3	129.5	169.8	-173.8	0	0	0	0	109.8	Y9	S7-Y9 PolarHBondContact O-N 2.66Å
8	S	37.8	Very low	39.2	Very low	109 Å²	109	160.1 Å²	160.1	76%	0.762	83%	0.827	S	S	*	*			trans	-92.4	92.7	-170.2	-57.1	0	0	0	0	112.4	K10	S8-K10 PolarHBondContact O-N 3.16Å
9	Y	38.1	Very low	39.5	Very low	214 Å²	214	158 Å²	158	84%	0.839	82%	0.816	S	S	*	*			trans	-73.8	102	167.9	-80.6	-83.1	0	0	0	110.9	S7 R11	S7-Y9 PolarHBondContact O-N 2.66Å; Y9-R11 PolarHBondContact O-N 3.32Å; Y9-R11 VanDerWaalsContact O-N 3.1Å
10	K	38.9	Very low	39.5	Very low	207 Å²	207	156.8 Å²	156.8	90%	0.9	81%	0.807	S	S	*	*			trans	-64.7	104.9	170	-78.5	-177.1	174.3	178.4	0	110.5	S8	S8-K10 PolarHBondContact O-N 3.16Å
11	R	36.5	Very low	39.6	Very low	245 Å²	245	151.8 Å²	151.8	93%	0.925	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-92.2	123.5	154.2	-72.6	-175.3	175.7	176.5	-1.2	108.3	Y9	Y9-R11 PolarHBondContact O-N 3.32Å; Y9-R11 VanDerWaalsContact O-N 3.1Å
12	K	41	Very low	40.1	Very low	209 Å²	209	146.6 Å²	146.6	91%	0.909	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-76	127	167.7	-68.3	-179.1	177.5	-179.3	0	107.8
13	A	39.4	Very low	40.2	Very low	92 Å²	92	147.1 Å²	147.1	76%	0.76	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-83.6	125.9	171.6	0	0	0	0	0	109.9	V15	A13-V15 HydrophobicContact CB-CG2 4.43Å; A13-V15 PolarHBondContact O-N 3.27Å
14	S	36.7	Very low	40.3	Very low	111 Å²	111	145 Å²	145	78%	0.776	75%	0.748	S	S	*	*			trans	-94.2	90.9	-178.1	52.2	0	0	0	0	111
15	V	47.2	Very low	40.6	Very low	135 Å²	135	139 Å²	139	82%	0.818	73%	0.728	S	S	*	*			trans	-100.7	-9.6	-176.8	-174.1	0	0	0	0	112.8	A13	A13-V15 HydrophobicContact CB-CG2 4.43Å; A13-V15 PolarHBondContact O-N 3.27Å
16	L	44.5	Very low	40.6	Very low	153 Å²	153	138.5 Å²	138.5	80%	0.801	73%	0.726	S	S	*	*	S	Bend	trans	-81.4	-18.6	-177.5	-88.4	161.3	0	0	0	115.6	G18	L16-G18 PolarHBondContact O-N 3.04Å
17	A	40.8	Very low	40.8	Very low	56 Å²	56	133.1 Å²	133.1	46%	0.463	72%	0.72	S	S	.	*	H	α-helix	trans	-63	-17.4	-167.1	0	0	0	0	0	115.5	L19 A21	A17-L19 VanDerWaalsContact C-N 3.31Å; A17-L19 PolarHBondContact O-N 3.37Å; A17-A21 PolarHBondContact O-N 3.37Å; A17-A21 VanDerWaalsContact O-N 3.12Å
18	G	39	Very low	40.9	Very low	59 Å²	59	133 Å²	133	61%	0.608	72%	0.716	S	S	*	*	H	α-helix	trans	-75	-9	-174.1	0	0	0	0	0	116.4	L16	L16-G18 PolarHBondContact O-N 3.04Å
19	L	44.8	Very low	41.4	Very low	121 Å²	121	137.4 Å²	137.4	63%	0.634	72%	0.721	S	S	*	*	H	α-helix	trans	-105.3	-31.1	172.5	-95.5	161	0	0	0	112.3	A17 A21	A17-L19 VanDerWaalsContact C-N 3.31Å; A17-L19 PolarHBondContact O-N 3.37Å; L19-A21 PolarHBondContact O-N 2.95Å
20	E	39.7	Very low	41.8	Very low	134 Å²	134	137.1 Å²	137.1	63%	0.626	73%	0.725	S	S	*	*	H	α-helix	trans	-62.3	-32.9	168.3	-66	177.8	146.8	0	0	111	L22 N23 S24	E20-L22 PolarHBondContact O-N 3.4Å; E20-L22 VanDerWaalsContact O-N 3.08Å; E20-N23 CarbonylContact O-C 3.53Å; E20-N23 WeakPolarHBondContact O-CA 3.41Å; E20-N23 PolarHBondContact O-N 3.44Å; E20-S24 WeakPolarHBondContact O-CB 3.35Å; E20-S24 PolarHBondContact O-N 2.95Å; E20-S24 PolarHBondContact O-OG 2.88Å
21	A	42.1	Very low	42.4	Very low	51 Å²	51	134.4 Å²	134.4	42%	0.421	72%	0.715	S	S	.	*	T	Hydrogen-bonded Turn	trans	-48.9	-35	179.1	0	0	0	0	0	115.6	A17 L19 S24	A17-A21 PolarHBondContact O-N 3.37Å; A17-A21 VanDerWaalsContact O-N 3.12Å; L19-A21 PolarHBondContact O-N 2.95Å; A21-S24 WeakPolarHBondContact CA-OG 3.24Å
22	L	46.9	Very low	43.4	Very low	128 Å²	128	128.1 Å²	128.1	67%	0.67	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-20.1	178.9	-69.1	173.8	0	0	0	113.5	E20	E20-L22 PolarHBondContact O-N 3.4Å; E20-L22 VanDerWaalsContact O-N 3.08Å
23	N	40.8	Very low	44.5	Very low	154 Å²	154	125 Å²	125	82%	0.824	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	-25.2	171.9	-73.6	-29	0	0	0	112	E20 F25	E20-N23 CarbonylContact O-C 3.53Å; E20-N23 WeakPolarHBondContact O-CA 3.41Å; E20-N23 PolarHBondContact O-N 3.44Å; N23-F25 VanDerWaalsContact C-N 3.26Å; N23-F25 PolarHBondContact O-N 3.47Å
24	S	36.7	Very low	46.2	Very low	76 Å²	76	124.3 Å²	124.3	53%	0.531	69%	0.685	S	S	.	*			trans	-91	51.2	175.8	78	0	0	0	0	111.6	E20 A21 K26	E20-S24 WeakPolarHBondContact O-CB 3.35Å; E20-S24 PolarHBondContact O-N 2.95Å; E20-S24 PolarHBondContact O-OG 2.88Å; A21-S24 WeakPolarHBondContact CA-OG 3.24Å; S24-K26 PolarHBondContact O-N 2.94Å; S24-K26 VanDerWaalsContact O-N 3.08Å
25	F	45.1	Very low	48.6	Very low	121 Å²	121	122.4 Å²	122.4	53%	0.531	67%	0.672	S	S	.	*			trans	-55.5	118.7	162.5	-104.5	-84.3	0	0	0	108.2	N23 V27 E50	N23-F25 VanDerWaalsContact C-N 3.26Å; N23-F25 PolarHBondContact O-N 3.47Å; F25-V27 PolarHBondContact O-N 3.16Å; F25-E50 VanDerWaalsContact CE1-CD 3.48Å; F25-E50 WeakPolarHBondContact CE1-OE1 3.32Å; F25-E50 WeakPolarHBondContact CE1-OE2 3.45Å; F25-E50 HydrophobicContact CZ-CG 4.27Å; F25-E50 WeakPolarHBondContact CZ-OE1 3.33Å
26	K	41	Very low	50.9	Low	195 Å²	195	119 Å²	119	85%	0.848	65%	0.649	S	S	*	*			trans	-75.2	80.2	-175.9	-175.1	-172.8	176.8	-171.9	0	108.7	S24 P28	S24-K26 PolarHBondContact O-N 2.94Å; S24-K26 VanDerWaalsContact O-N 3.08Å; K26-P28 WeakPolarHBondContact O-CD 3.46Å
27	V	39.3	Very low	53.4	Low	123 Å²	123	112.9 Å²	112.9	75%	0.745	62%	0.617	S	S	*	*			trans	-41.5	116.2	178.5	-179.1	0	0	0	0	108.9	F25 K29	F25-V27 PolarHBondContact O-N 3.16Å; V27-K29 PolarHBondContact O-N 3.33Å
28	P	42.2	Very low	56	Low	99 Å²	99	113.8 Å²	113.8	64%	0.643	61%	0.611	S	S	*	*			trans	-53.9	127.1	179.4	-28.5	36.2	0	0	0	109.6	K26 K30	K26-P28 WeakPolarHBondContact O-CD 3.46Å; P28-K30 PolarHBondContact O-N 3.08Å; P28-K30 VanDerWaalsContact O-N 3.09Å
29	K	49.7	Very low	58.8	Low	202 Å²	202	115.3 Å²	115.3	88%	0.878	61%	0.606	S	S	*	*			trans	-58.8	120.4	176.9	-75.3	-170.4	174	-170.1	0	107.7	V27 Q31	V27-K29 PolarHBondContact O-N 3.33Å; K29-Q31 PolarHBondContact O-N 3.33Å
30	K	46.6	Very low	61.2	Low	208 Å²	208	109.8 Å²	109.8	90%	0.904	58%	0.577	S	S	*	*			trans	-40.7	97.3	-174.5	-68.9	-179.6	177.7	177.8	0	112.4	P28	P28-K30 PolarHBondContact O-N 3.08Å; P28-K30 VanDerWaalsContact O-N 3.09Å
31	Q	50.6	Low	63.9	Low	150 Å²	150	107.7 Å²	107.7	70%	0.701	57%	0.57	S	S	*	*			trans	-89.5	117.3	155.4	-72.2	-177.5	-36.6	0	0	105.3	K29 N33	K29-Q31 PolarHBondContact O-N 3.33Å; Q31-N33 PolarHBondContact O-N 3.11Å; Q31-N33 VanDerWaalsContact O-N 3.16Å
32	S	57.3	Low	66.5	Low	113 Å²	113	107.7 Å²	107.7	79%	0.79	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-14.1	-169.4	54.1	0	0	0	0	114.3
33	N	65.1	Low	68.9	Low	144 Å²	144	108.3 Å²	108.3	77%	0.77	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124	51.2	-170.6	-57.6	8.4	0	0	0	111	Q31	Q31-N33 PolarHBondContact O-N 3.11Å; Q31-N33 VanDerWaalsContact O-N 3.16Å
34	L	73.6	Confident	71.5	Confident	77 Å²	77	102 Å²	102	40%	0.403	54%	0.535	S	S	.	.			trans	-70.7	141.8	164.8	-70	175	0	0	0	109.5	H77	L34-H77 HydrophobicContact CB-CB 4.39Å
35	S	88.1	Confident	74.3	Confident	72 Å²	72	102.5 Å²	102.5	50%	0.503	53%	0.534	S	S	.	.			trans	-71.4	143.9	171.6	51.9	0	0	0	0	110.5	L37	S35-L37 WeakPolarHBondContact CB-O 3.46Å; S35-L37 CarbonylContact O-C 3.57Å; S35-L37 PolarHBondContact O-N 3.41Å; S35-L37 PolarHBondContact OG-O 2.89Å
36	L	95	Very high	76.7	Confident	64 Å²	64	100.9 Å²	100.9	34%	0.335	53%	0.531	S	S	.	.	S	Bend	trans	-49.3	-37.1	179.2	-179.8	64.3	0	0	0	112.6	I76 H77 N78 A125	L36-I76 WeakPolarHBondContact O-CA 3.2Å; L36-H77 PolarHBondContact O-N 2.88Å; L36-N78 HydrophobicContact CD1-CB 4.07Å; L36-A125 HydrophobicContact CD1-CB 4.26Å; L36-A125 HydrophobicContact CD2-CB 4.04Å; L36-A125 HydrophobicContact CG-CB 3.94Å
37	L	96.8	Very high	79.4	Confident	24 Å²	24	92.7 Å²	92.7	13%	0.126	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119.3	167.5	-65.6	168.2	0	0	0	108.3	S35 W74 F75 I76 W118 V121 E122 A125 V256	S35-L37 WeakPolarHBondContact CB-O 3.46Å; S35-L37 CarbonylContact O-C 3.57Å; S35-L37 PolarHBondContact O-N 3.41Å; S35-L37 PolarHBondContact OG-O 2.89Å; L37-W74 HydrophobicContact CB-CB 4.35Å; L37-W74 HydrophobicContact CB-CG 4.45Å; L37-W74 HydrophobicContact CD2-CB 4.29Å; L37-F75 WeakPolarHBondContact CA-O 3.26Å; L37-I76 HydrophobicContact CD2-CG1 3.64Å; L37-W118 HydrophobicContact CD1-CH2 3.8Å; L37-W118 HydrophobicContact CD1-CZ2 3.43Å; L37-W118 VanDerWaalsContact CD1-CZ2 3.43Å; L37-V121 HydrophobicContact CD1-CG1 4.18Å; L37-V121 HydrophobicContact CD2-CG1 4.5Å; L37-E122 HydrophobicContact CD1-CG 4.3Å; L37-A125 HydrophobicContact CD2-CB 4.14Å; L37-A125 HydrophobicContact CG-CB 4.47Å; L37-V256 HydrophobicContact CD2-CG2 4.07Å
38	Q	95.8	Very high	82.1	Confident	74 Å²	74	89.7 Å²	89.7	35%	0.346	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	118.8	170.6	179.4	-170.6	0.3	0	0	108.6	W74 F75 H77	Q38-W74 CarbonylContact O-C 3.57Å; Q38-W74 WeakPolarHBondContact O-CA 3.37Å; Q38-W74 WeakPolarHBondContact O-CB 3.24Å; Q38-F75 PolarHBondContact N-O 3.47Å; Q38-F75 PolarHBondContact O-N 3.5Å; Q38-H77 PolarHBondContact OE1-NE2 3.36Å
39	N	96.7	Very high	84.6	Confident	91 Å²	91	92.1 Å²	92.1	49%	0.487	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	141	175.4	-177.4	-103	0	0	0	111.5	A73 W74	N39-A73 PolarHBondContact ND2-O 3.1Å; N39-W74 PolarHBondContact ND2-NE1 2.91Å
40	V	96.6	Very high	86.7	Confident	6 Å²	6	84 Å²	84	4%	0.036	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	117.6	-176.8	-174.5	0	0	0	0	108.6	L42 S44 D46 I51 A73 F75	V40-L42 PolarHBondContact O-N 3.49Å; V40-S44 VanDerWaalsContact CG1-OG 3.31Å; V40-S44 WeakPolarHBondContact CG1-OG 3.47Å; V40-D46 HydrophobicContact CG1-CB 4.14Å; V40-I51 HydrophobicContact CG1-CD1 4.35Å; V40-I51 HydrophobicContact CG2-CD1 4.4Å; V40-A73 HydrophobicContact CB-CB 4.4Å; V40-A73 PolarHBondContact N-O 3.25Å; V40-F75 HydrophobicContact CG1-CE2 4.42Å; V40-F75 HydrophobicContact CG2-CD2 3.41Å; V40-F75 VanDerWaalsContact CG2-CD2 3.41Å; V40-F75 HydrophobicContact CG2-CE2 3.6Å; V40-F75 HydrophobicContact CG2-CG 3.94Å; V40-F75 HydrophobicContact CG2-CZ 4.25Å
41	D	96.4	Very high	89.1	Confident	89 Å²	89	74.1 Å²	74.1	48%	0.476	41%	0.405	S	S	.	.			trans	-59.8	131.5	173.3	174.3	10.8	0	0	0	110.1	N43 S44	D41-N43 PolarHBondContact O-N 2.88Å; D41-N43 VanDerWaalsContact O-N 3.15Å; D41-N43 WeakPolarHBondContact OD1-CB 3.45Å; D41-N43 PolarHBondContact OD1-N 3.47Å; D41-N43 PolarHBondContact OD1-ND2 2.91Å; D41-S44 WeakPolarHBondContact O-CB 3.46Å; D41-S44 PolarHBondContact O-N 2.93Å; D41-S44 PolarHBondContact O-OG 3.37Å
42	L	96.7	Very high	91.2	Very high	52 Å²	52	70.5 Å²	70.5	27%	0.272	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-15.3	178.1	-54.1	-175	0	0	0	113	V40 Y47 V70 E71 A73	V40-L42 PolarHBondContact O-N 3.49Å; L42-Y47 HydrophobicContact CB-CD1 4.24Å; L42-Y47 HydrophobicContact CB-CE1 4.31Å; L42-Y47 HydrophobicContact CD2-CD1 4.35Å; L42-Y47 HydrophobicContact CD2-CD2 3.8Å; L42-Y47 HydrophobicContact CD2-CE1 4.25Å; L42-Y47 HydrophobicContact CD2-CE2 3.71Å; L42-Y47 HydrophobicContact CD2-CG 4.13Å; L42-Y47 WeakPolarHBondContact O-CD1 3.37Å; L42-V70 HydrophobicContact CD1-CB 4.43Å; L42-V70 HydrophobicContact CD1-CG1 4.14Å; L42-V70 WeakPolarHBondContact CD1-O 3.27Å; L42-V70 HydrophobicContact CD2-CG1 3.69Å; L42-E71 WeakPolarHBondContact CD1-O 3.48Å; L42-A73 HydrophobicContact CD2-CB 3.88Å
43	N	96.2	Very high	93	Very high	141 Å²	141	66.7 Å²	66.7	75%	0.754	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-4.4	172.7	-53.2	-86.1	0	0	0	113.1	D41	D41-N43 PolarHBondContact O-N 2.88Å; D41-N43 VanDerWaalsContact O-N 3.15Å; D41-N43 WeakPolarHBondContact OD1-CB 3.45Å; D41-N43 PolarHBondContact OD1-N 3.47Å; D41-N43 PolarHBondContact OD1-ND2 2.91Å
44	S	96.3	Very high	94.4	Very high	22 Å²	22	62 Å²	62	15%	0.154	33%	0.331	C	S	.	.	S	Bend	trans	-71.8	158.1	-179	69.6	0	0	0	0	113	V40 D41 D46 Y47 S48	V40-S44 VanDerWaalsContact CG1-OG 3.31Å; V40-S44 WeakPolarHBondContact CG1-OG 3.47Å; D41-S44 WeakPolarHBondContact O-CB 3.46Å; D41-S44 PolarHBondContact O-N 2.93Å; D41-S44 PolarHBondContact O-OG 3.37Å; S44-D46 VanDerWaalsContact C-N 3.26Å; S44-Y47 PolarHBondContact OG-N 3.03Å; S44-S48 WeakPolarHBondContact O-CB 3.37Å; S44-S48 PolarHBondContact O-N 3.02Å; S44-S48 VanDerWaalsContact O-N 3.09Å; S44-S48 PolarHBondContact O-OG 3.48Å
45	V	95.2	Very high	95.4	Very high	86 Å²	86	58.4 Å²	58.4	52%	0.521	31%	0.312	S	S	.	.	H	α-helix	trans	-62.7	-37.9	168.1	-178	0	0	0	0	110.1	Y47 S48 E49	V45-Y47 PolarHBondContact O-N 3.28Å; V45-S48 PolarHBondContact O-N 3.34Å; V45-E49 HydrophobicContact CG1-CB 4.19Å; V45-E49 HydrophobicContact CG1-CG 3.89Å; V45-E49 WeakPolarHBondContact O-CB 3.35Å; V45-E49 PolarHBondContact O-N 2.88Å
46	D	96.1	Very high	95.7	Very high	86 Å²	86	57.5 Å²	57.5	46%	0.46	30%	0.302	S	S	.	.	I	π-helix	trans	-63.7	-43.3	-176.6	-47.7	-36.1	0	0	0	111.7	V40 S44 E50 I51 F75	V40-D46 HydrophobicContact CG1-CB 4.14Å; S44-D46 VanDerWaalsContact C-N 3.26Å; D46-E50 WeakPolarHBondContact O-CB 3.39Å; D46-E50 PolarHBondContact O-N 3.17Å; D46-E50 VanDerWaalsContact O-N 3.16Å; D46-I51 PolarHBondContact O-N 3.38Å; D46-F75 HydrophobicContact CB-CE2 3.78Å; D46-F75 HydrophobicContact CB-CZ 3.85Å
47	Y	97.6	Very high	95.6	Very high	23 Å²	23	60.4 Å²	60.4	9%	0.09	31%	0.314	C	S	.	.	I	π-helix	trans	-67.6	-47.1	171.4	177.6	-100.2	0	0	0	112.3	L42 S44 V45 I51 Y52 V70 A73 L257	L42-Y47 HydrophobicContact CB-CD1 4.24Å; L42-Y47 HydrophobicContact CB-CE1 4.31Å; L42-Y47 HydrophobicContact CD2-CD1 4.35Å; L42-Y47 HydrophobicContact CD2-CD2 3.8Å; L42-Y47 HydrophobicContact CD2-CE1 4.25Å; L42-Y47 HydrophobicContact CD2-CE2 3.71Å; L42-Y47 HydrophobicContact CD2-CG 4.13Å; L42-Y47 WeakPolarHBondContact O-CD1 3.37Å; S44-Y47 PolarHBondContact OG-N 3.03Å; V45-Y47 PolarHBondContact O-N 3.28Å; Y47-I51 HydrophobicContact CD2-CB 4.08Å; Y47-I51 HydrophobicContact CD2-CD1 4.28Å; Y47-I51 HydrophobicContact CD2-CG2 4.25Å; Y47-I51 HydrophobicContact CE2-CG2 4.36Å; Y47-I51 PolarHBondContact O-N 3.47Å; Y47-Y52 HydrophobicContact CE1-CD2 4.33Å; Y47-Y52 HydrophobicContact CE1-CG 4.26Å; Y47-Y52 WeakPolarHBondContact O-CB 3.31Å; Y47-Y52 PolarHBondContact O-N 2.94Å; Y47-Y52 WeakPolarHBondContact OH-CD2 3.22Å; Y47-V70 HydrophobicContact CE2-CG1 4.31Å; Y47-V70 WeakPolarHBondContact OH-CG2 3.43Å; Y47-A73 HydrophobicContact CD2-CB 3.99Å; Y47-A73 HydrophobicContact CE2-CB 4.28Å; Y47-L257 HydrophobicContact CE2-CD2 3.91Å
48	S	95.5	Very high	95.4	Very high	60 Å²	60	60.1 Å²	60.1	42%	0.42	31%	0.313	S	S	.	.	I	π-helix	trans	-81.4	-21.7	-168.9	60.2	0	0	0	0	115.3	S44 V45 P53	S44-S48 WeakPolarHBondContact O-CB 3.37Å; S44-S48 PolarHBondContact O-N 3.02Å; S44-S48 VanDerWaalsContact O-N 3.09Å; S44-S48 PolarHBondContact O-OG 3.48Å; V45-S48 PolarHBondContact O-N 3.34Å; S48-P53 WeakPolarHBondContact O-CD 3.46Å; S48-P53 WeakPolarHBondContact O-CG 3.39Å
49	E	94.4	Very high	95.3	Very high	150 Å²	150	57 Å²	57	70%	0.701	30%	0.299	S	S	*	.	I	π-helix	trans	-108.4	-29.6	177.1	-61.9	-163.6	165.6	0	0	113.8	V45 P53	V45-E49 HydrophobicContact CG1-CB 4.19Å; V45-E49 HydrophobicContact CG1-CG 3.89Å; V45-E49 WeakPolarHBondContact O-CB 3.35Å; V45-E49 PolarHBondContact O-N 2.88Å; E49-P53 WeakPolarHBondContact O-CG 3.48Å
50	E	93.9	Very high	95.1	Very high	32 Å²	32	57.3 Å²	57.3	15%	0.15	29%	0.293	C	S	.	.	I	π-helix	trans	-103.3	-53.5	178.4	-164.8	171.2	-172.5	0	0	114.2	F25 D46 Q54 R178 Y254	F25-E50 VanDerWaalsContact CE1-CD 3.48Å; F25-E50 WeakPolarHBondContact CE1-OE1 3.32Å; F25-E50 WeakPolarHBondContact CE1-OE2 3.45Å; F25-E50 HydrophobicContact CZ-CG 4.27Å; F25-E50 WeakPolarHBondContact CZ-OE1 3.33Å; D46-E50 WeakPolarHBondContact O-CB 3.39Å; D46-E50 PolarHBondContact O-N 3.17Å; D46-E50 VanDerWaalsContact O-N 3.16Å; E50-Q54 WeakPolarHBondContact O-CG 3.48Å; E50-Q54 PolarHBondContact O-NE2 3.4Å; E50-Q54 VanDerWaalsContact O-NE2 3.08Å; E50-R178 IonicContact OE1-CZ 2.76Å; E50-R178 VanDerWaalsContact OE1-CZ 3.32Å; E50-R178 IonicContact OE1-NH1 2.68Å; E50-R178 PolarHBondContact OE1-NH1 3.27Å; E50-R178 IonicContact OE1-NH2 2.98Å; E50-R178 PolarHBondContact OE1-NH2 3.12Å; E50-Y254 PolarHBondContact OE1-OH 2.76Å; E50-Y254 PolarHBondContact OE2-OH 2.93Å
51	I	96.7	Very high	94.8	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.294	C	S	.	.	I	π-helix	trans	-75.5	-65	-173.9	-55.5	177	0	0	0	112	V40 D46 Y47 Q54 I55 A73 F75 M176 A255 L257	V40-I51 HydrophobicContact CG1-CD1 4.35Å; V40-I51 HydrophobicContact CG2-CD1 4.4Å; D46-I51 PolarHBondContact O-N 3.38Å; Y47-I51 HydrophobicContact CD2-CB 4.08Å; Y47-I51 HydrophobicContact CD2-CD1 4.28Å; Y47-I51 HydrophobicContact CD2-CG2 4.25Å; Y47-I51 HydrophobicContact CE2-CG2 4.36Å; Y47-I51 PolarHBondContact O-N 3.47Å; I51-Q54 PolarHBondContact O-N 2.67Å; I51-I55 HydrophobicContact CG2-CD1 3.94Å; I51-I55 PolarHBondContact O-N 3.28Å; I51-A73 HydrophobicContact CD1-CB 4.42Å; I51-F75 HydrophobicContact CD1-CD1 4.12Å; I51-F75 HydrophobicContact CD1-CE1 3.53Å; I51-F75 HydrophobicContact CD1-CZ 3.91Å; I51-F75 HydrophobicContact CG1-CD1 4.45Å; I51-F75 HydrophobicContact CG1-CE1 3.55Å; I51-F75 HydrophobicContact CG1-CZ 4.02Å; I51-M176 HydrophobicContact CG2-CE 4.33Å; I51-A255 HydrophobicContact CD1-CB 4.35Å; I51-L257 HydrophobicContact CG2-CD1 3.99Å; I51-L257 HydrophobicContact CG2-CD2 3.96Å; I51-L257 HydrophobicContact CG2-CG 4.31Å
52	Y	95.6	Very high	94.5	Very high	74 Å²	74	55.3 Å²	55.3	29%	0.29	28%	0.284	S	S	.	.	H	α-helix	trans	-59.2	-37.9	-172.3	-178.6	-103	0	0	0	113.6	Y47 Q54 I55 N56	Y47-Y52 HydrophobicContact CE1-CD2 4.33Å; Y47-Y52 HydrophobicContact CE1-CG 4.26Å; Y47-Y52 WeakPolarHBondContact O-CB 3.31Å; Y47-Y52 PolarHBondContact O-N 2.94Å; Y47-Y52 WeakPolarHBondContact OH-CD2 3.22Å; Y52-Q54 VanDerWaalsContact C-N 3.31Å; Y52-Q54 PolarHBondContact O-N 2.83Å; Y52-I55 PolarHBondContact O-N 2.86Å; Y52-N56 HydrophobicContact CE1-CB 4.4Å; Y52-N56 WeakPolarHBondContact O-CB 3.32Å; Y52-N56 PolarHBondContact O-N 3.39Å
53	P	94.7	Very high	94	Very high	33 Å²	33	57.8 Å²	57.8	21%	0.214	29%	0.294	C	S	.	.	H	α-helix	trans	-66.2	-27.9	175.5	-26.1	39.3	0	0	0	114.1	S48 E49 Q57	S48-P53 WeakPolarHBondContact O-CD 3.46Å; S48-P53 WeakPolarHBondContact O-CG 3.39Å; E49-P53 WeakPolarHBondContact O-CG 3.48Å; P53-Q57 VanDerWaalsContact O-CB 3.29Å; P53-Q57 WeakPolarHBondContact O-CB 3.02Å; P53-Q57 WeakPolarHBondContact O-CG 3.17Å; P53-Q57 PolarHBondContact O-N 3.43Å; P53-Q57 PolarHBondContact O-NE2 3.4Å
54	Q	94.4	Very high	93.7	Very high	47 Å²	47	51.4 Å²	51.4	22%	0.22	26%	0.26	C	S	.	.	H	α-helix	trans	-71.1	-42.9	175.4	-71.3	174.8	38.3	0	0	110.3	E50 I51 Y52 Q57 S58 M176 R178	E50-Q54 WeakPolarHBondContact O-CG 3.48Å; E50-Q54 PolarHBondContact O-NE2 3.4Å; E50-Q54 VanDerWaalsContact O-NE2 3.08Å; I51-Q54 PolarHBondContact O-N 2.67Å; Y52-Q54 VanDerWaalsContact C-N 3.31Å; Y52-Q54 PolarHBondContact O-N 2.83Å; Q54-Q57 PolarHBondContact O-N 3.38Å; Q54-S58 PolarHBondContact O-N 3.29Å; Q54-M176 HydrophobicContact CB-CE 4.15Å; Q54-M176 HydrophobicContact CB-SD 3.78Å; Q54-R178 VanDerWaalsContact OE1-NH2 3.14Å
55	I	95.7	Very high	93.4	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-62.8	-52.8	176.1	-59.7	170.4	0	0	0	110.8	I51 Y52 Q57 S58 F59 F68 F112 A152 L174 M176 L257	I51-I55 HydrophobicContact CG2-CD1 3.94Å; I51-I55 PolarHBondContact O-N 3.28Å; Y52-I55 PolarHBondContact O-N 2.86Å; I55-Q57 PolarHBondContact O-N 3.22Å; I55-Q57 VanDerWaalsContact O-N 3.13Å; I55-S58 PolarHBondContact O-N 3.07Å; I55-S58 PolarHBondContact O-OG 2.83Å; I55-F59 HydrophobicContact CG2-CD1 4.07Å; I55-F59 HydrophobicContact CG2-CE1 3.51Å; I55-F59 HydrophobicContact CG2-CZ 4.39Å; I55-F59 VanDerWaalsContact O-CD1 3.26Å; I55-F59 WeakPolarHBondContact O-CD1 3.45Å; I55-F59 PolarHBondContact O-N 2.97Å; I55-F68 HydrophobicContact CD1-CE1 4.3Å; I55-F68 HydrophobicContact CG2-CD1 4.36Å; I55-F68 HydrophobicContact CG2-CE1 3.83Å; I55-F68 HydrophobicContact CG2-CZ 4.33Å; I55-F112 HydrophobicContact CG1-CE1 4.09Å; I55-A152 HydrophobicContact CG2-CB 4.12Å; I55-L174 HydrophobicContact CD1-CD2 4.35Å; I55-M176 HydrophobicContact CG1-SD 4.07Å; I55-L257 HydrophobicContact CD1-CD1 3.65Å; I55-L257 HydrophobicContact CD1-CD2 3.33Å; I55-L257 HydrophobicContact CD1-CG 4.16Å
56	N	93.4	Very high	93.2	Very high	53 Å²	53	51.3 Å²	51.3	28%	0.283	26%	0.263	S	S	.	.	H	α-helix	trans	-69	-11.5	-178.6	-164	21.4	0	0	0	113.8	Y52 S65	Y52-N56 HydrophobicContact CE1-CB 4.4Å; Y52-N56 WeakPolarHBondContact O-CB 3.32Å; Y52-N56 PolarHBondContact O-N 3.39Å; N56-S65 WeakPolarHBondContact OD1-CB 3.49Å
57	Q	92.5	Very high	93	Very high	125 Å²	125	49.3 Å²	49.3	58%	0.584	25%	0.25	S	C	*	.	H	α-helix	trans	-91.4	-15.9	169.5	-75.3	173.9	113.4	0	0	113.3	P53 Q54 I55	P53-Q57 VanDerWaalsContact O-CB 3.29Å; P53-Q57 WeakPolarHBondContact O-CB 3.02Å; P53-Q57 WeakPolarHBondContact O-CG 3.17Å; P53-Q57 PolarHBondContact O-N 3.43Å; P53-Q57 PolarHBondContact O-NE2 3.4Å; Q54-Q57 PolarHBondContact O-N 3.38Å; I55-Q57 PolarHBondContact O-N 3.22Å; I55-Q57 VanDerWaalsContact O-N 3.13Å
58	S	93.7	Very high	92.8	Very high	17 Å²	17	49 Å²	49	12%	0.119	25%	0.249	C	C	.	.	H	α-helix	trans	-90.2	-16.4	174	73.9	0	0	0	0	114	Q54 I55 R60 F112 Q150 C151 A152	Q54-S58 PolarHBondContact O-N 3.29Å; I55-S58 PolarHBondContact O-N 3.07Å; I55-S58 PolarHBondContact O-OG 2.83Å; S58-R60 PolarHBondContact O-N 2.79Å; S58-F112 VanDerWaalsContact OG-CE2 3.23Å; S58-F112 WeakPolarHBondContact OG-CE2 3.39Å; S58-F112 VanDerWaalsContact OG-CZ 3.31Å; S58-F112 WeakPolarHBondContact OG-CZ 3.34Å; S58-Q150 WeakPolarHBondContact CB-O 3.27Å; S58-C151 WeakPolarHBondContact O-CA 3.43Å; S58-A152 VanDerWaalsContact OG-CB 3.31Å; S58-A152 WeakPolarHBondContact OG-CB 3.32Å
59	F	94	Very high	92.7	Very high	10 Å²	10	48.8 Å²	48.8	4%	0.044	24%	0.243	C	C	.	.			trans	-61.5	122.8	177.7	-88.6	37.9	0	0	0	110.1	I55 F61 P62 F68 A152 D153 I156 W261	I55-F59 HydrophobicContact CG2-CD1 4.07Å; I55-F59 HydrophobicContact CG2-CE1 3.51Å; I55-F59 HydrophobicContact CG2-CZ 4.39Å; I55-F59 VanDerWaalsContact O-CD1 3.26Å; I55-F59 WeakPolarHBondContact O-CD1 3.45Å; I55-F59 PolarHBondContact O-N 2.97Å; F59-F61 PolarHBondContact O-N 3.28Å; F59-P62 HydrophobicContact CB-CG 4.36Å; F59-P62 WeakPolarHBondContact O-CD 3.43Å; F59-P62 WeakPolarHBondContact O-CG 3.23Å; F59-F68 HydrophobicContact CE2-CB 4.06Å; F59-F68 HydrophobicContact CZ-CB 3.74Å; F59-F68 HydrophobicContact CZ-CD1 4.12Å; F59-F68 HydrophobicContact CZ-CD2 4.37Å; F59-F68 AromaticContact CZ-CG 3.84Å; F59-F68 HydrophobicContact CZ-CG 3.84Å; F59-A152 HydrophobicContact CD1-CB 4.02Å; F59-A152 HydrophobicContact CE1-CB 3.76Å; F59-D153 HydrophobicContact CB-CB 4.44Å; F59-D153 HydrophobicContact CD1-CB 3.97Å; F59-D153 HydrophobicContact CD2-CB 3.78Å; F59-D153 HydrophobicContact CE1-CB 4.06Å; F59-D153 HydrophobicContact CE2-CB 3.86Å; F59-D153 HydrophobicContact CG-CB 3.82Å; F59-D153 HydrophobicContact CZ-CB 4.01Å; F59-I156 HydrophobicContact CZ-CD1 4.47Å; F59-W261 HydrophobicContact CE2-CH2 4.19Å; F59-W261 AromaticContact CE2-CZ3 3.84Å; F59-W261 HydrophobicContact CE2-CZ3 3.84Å; F59-W261 HydrophobicContact CZ-CZ3 4.15Å
60	R	90.9	Very high	92.8	Very high	97 Å²	97	42.3 Å²	42.3	37%	0.366	21%	0.214	S	C	.	.	S	Bend	trans	-66.8	-27.7	172.2	-174.8	56.1	169.8	-173.5	-3.2	111.3	S58 D153 L217	S58-R60 PolarHBondContact O-N 2.79Å; R60-D153 VanDerWaalsContact N-CG 3.28Å; R60-D153 PolarHBondContact N-OD1 3.18Å; R60-D153 PolarHBondContact N-OD2 3.27Å; R60-L217 HydrophobicContact CG-CD1 3.45Å; R60-L217 VanDerWaalsContact CG-CD1 3.45Å
61	F	90.5	Very high	92.9	Very high	12 Å²	12	44.7 Å²	44.7	5%	0.053	23%	0.225	C	C	.	.	S	Bend	trans	-124.8	74.4	176.2	-57.2	-78.6	0	0	0	111.5	F59 Q63 L64 D153 L217 S278 G279 I281 L282	F59-F61 PolarHBondContact O-N 3.28Å; F61-Q63 PolarHBondContact O-N 3.45Å; F61-L64 HydrophobicContact CB-CB 4.49Å; F61-L64 HydrophobicContact CB-CD1 3.94Å; F61-L64 HydrophobicContact CB-CG 4.21Å; F61-L64 WeakPolarHBondContact O-CB 3.29Å; F61-L64 PolarHBondContact O-N 3.31Å; F61-D153 PolarHBondContact N-OD2 2.75Å; F61-L217 HydrophobicContact CE2-CD1 3.95Å; F61-L217 HydrophobicContact CZ-CB 3.9Å; F61-L217 HydrophobicContact CZ-CD1 3.77Å; F61-L217 HydrophobicContact CZ-CG 4.43Å; F61-S278 VanDerWaalsContact CD1-C 3.42Å; F61-G279 VanDerWaalsContact CD1-CA 3.43Å; F61-G279 VanDerWaalsContact CE1-CA 3.4Å; F61-G279 VanDerWaalsContact CE1-N 3.32Å; F61-I281 HydrophobicContact CE2-CG2 3.71Å; F61-I281 HydrophobicContact CZ-CG2 3.94Å; F61-L282 HydrophobicContact CB-CD1 4.35Å; F61-L282 HydrophobicContact CD2-CD1 3.71Å; F61-L282 HydrophobicContact CD2-CG 3.94Å; F61-L282 HydrophobicContact CE2-CD1 4.49Å; F61-L282 HydrophobicContact CE2-CG 4.25Å; F61-L282 HydrophobicContact CG-CD1 4.44Å
62	P	89.8	Confident	92.9	Very high	41 Å²	41	47.9 Å²	47.9	27%	0.266	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-57.8	-25.7	-174.2	-26	35.4	0	0	0	115	F59 L64 S65	F59-P62 HydrophobicContact CB-CG 4.36Å; F59-P62 WeakPolarHBondContact O-CD 3.43Å; F59-P62 WeakPolarHBondContact O-CG 3.23Å; P62-L64 PolarHBondContact O-N 3.18Å; P62-S65 WeakPolarHBondContact O-CB 3.44Å; P62-S65 PolarHBondContact O-N 3Å; P62-S65 VanDerWaalsContact O-N 3.07Å; P62-S65 PolarHBondContact O-OG 3.27Å
63	Q	86.8	Confident	93	Very high	103 Å²	103	44.4 Å²	44.4	48%	0.481	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-62.4	-19.9	173.1	64.8	-78.1	-3.2	0	0	113.9	F61 S278	F61-Q63 PolarHBondContact O-N 3.45Å; Q63-S278 PolarHBondContact NE2-O 3.33Å
64	L	89.3	Confident	93.2	Very high	7 Å²	7	44 Å²	44	4%	0.037	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-92.4	5.3	176.1	-58	178.6	0	0	0	112.6	F61 P62 S66 Y67 W261 L263 I274 S278 L282	F61-L64 HydrophobicContact CB-CB 4.49Å; F61-L64 HydrophobicContact CB-CD1 3.94Å; F61-L64 HydrophobicContact CB-CG 4.21Å; F61-L64 WeakPolarHBondContact O-CB 3.29Å; F61-L64 PolarHBondContact O-N 3.31Å; P62-L64 PolarHBondContact O-N 3.18Å; L64-S66 PolarHBondContact O-N 3.48Å; L64-S66 VanDerWaalsContact O-N 3.1Å; L64-Y67 HydrophobicContact CB-CD2 4.08Å; L64-Y67 HydrophobicContact CD2-CD2 3.91Å; L64-Y67 HydrophobicContact CD2-CE2 3.76Å; L64-Y67 WeakPolarHBondContact O-CD2 3.46Å; L64-Y67 PolarHBondContact O-N 3.49Å; L64-W261 HydrophobicContact CB-CH2 3.95Å; L64-W261 HydrophobicContact CB-CZ2 4.35Å; L64-L263 HydrophobicContact CD1-CD2 3.85Å; L64-L263 HydrophobicContact CD2-CD2 4.16Å; L64-L263 HydrophobicContact CG-CD2 4.49Å; L64-I274 HydrophobicContact CD2-CD1 4.12Å; L64-S278 WeakPolarHBondContact CD1-O 3.41Å; L64-L282 HydrophobicContact CD1-CB 4.41Å; L64-L282 HydrophobicContact CD1-CD1 4.03Å
65	S	91.5	Very high	93.3	Very high	25 Å²	25	42.6 Å²	42.6	18%	0.175	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-16.1	176.1	74.8	0	0	0	0	114	N56 P62 Y67 F68	N56-S65 WeakPolarHBondContact OD1-CB 3.49Å; P62-S65 WeakPolarHBondContact O-CB 3.44Å; P62-S65 PolarHBondContact O-N 3Å; P62-S65 VanDerWaalsContact O-N 3.07Å; P62-S65 PolarHBondContact O-OG 3.27Å; S65-Y67 VanDerWaalsContact C-N 3.29Å; S65-F68 PolarHBondContact O-N 3.5Å
66	S	90.5	Very high	93.4	Very high	82 Å²	82	43.1 Å²	43.1	57%	0.573	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-19.1	172	50.3	0	0	0	0	113.9	L64	L64-S66 PolarHBondContact O-N 3.48Å; L64-S66 VanDerWaalsContact O-N 3.1Å
67	Y	91.2	Very high	93.5	Very high	44 Å²	44	42.9 Å²	42.9	17%	0.173	21%	0.213	C	C	.	.	S	Bend	trans	-94	-8.9	176.6	-53.4	-73.3	0	0	0	112.9	L64 S65 K262 L263 V267 L271	L64-Y67 HydrophobicContact CB-CD2 4.08Å; L64-Y67 HydrophobicContact CD2-CD2 3.91Å; L64-Y67 HydrophobicContact CD2-CE2 3.76Å; L64-Y67 WeakPolarHBondContact O-CD2 3.46Å; L64-Y67 PolarHBondContact O-N 3.49Å; S65-Y67 VanDerWaalsContact C-N 3.29Å; Y67-K262 HydrophobicContact CD1-CB 4.49Å; Y67-K262 PolarHBondContact O-N 2.93Å; Y67-L263 HydrophobicContact CD1-CB 4.46Å; Y67-L263 HydrophobicContact CD1-CD1 4.2Å; Y67-L263 HydrophobicContact CD2-CB 4.45Å; Y67-L263 HydrophobicContact CD2-CD1 4.1Å; Y67-L263 HydrophobicContact CE1-CD1 4.37Å; Y67-L263 HydrophobicContact CE2-CD1 4.27Å; Y67-L263 HydrophobicContact CG-CB 4Å; Y67-L263 HydrophobicContact CG-CD1 4.11Å; Y67-V267 HydrophobicContact CD1-CG1 3.89Å; Y67-V267 HydrophobicContact CE1-CG1 3.56Å; Y67-L271 HydrophobicContact CE1-CD1 4.09Å; Y67-L271 HydrophobicContact CE2-CD1 4.27Å; Y67-L271 WeakPolarHBondContact OH-CD1 3.43Å; Y67-L271 WeakPolarHBondContact OH-CD2 3.5Å
68	F	94	Very high	93.7	Very high	17 Å²	17	37.8 Å²	37.8	8%	0.075	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	115.5	168.4	-179.6	-125.9	0	0	0	109.8	I55 F59 S65 V70 I156 L174 L257 C259 W261	I55-F68 HydrophobicContact CD1-CE1 4.3Å; I55-F68 HydrophobicContact CG2-CD1 4.36Å; I55-F68 HydrophobicContact CG2-CE1 3.83Å; I55-F68 HydrophobicContact CG2-CZ 4.33Å; F59-F68 HydrophobicContact CE2-CB 4.06Å; F59-F68 HydrophobicContact CZ-CB 3.74Å; F59-F68 HydrophobicContact CZ-CD1 4.12Å; F59-F68 HydrophobicContact CZ-CD2 4.37Å; F59-F68 AromaticContact CZ-CG 3.84Å; F59-F68 HydrophobicContact CZ-CG 3.84Å; S65-F68 PolarHBondContact O-N 3.5Å; F68-V70 HydrophobicContact CD1-CG2 4.06Å; F68-V70 HydrophobicContact CE1-CG2 3.33Å; F68-V70 HydrophobicContact CE2-CG2 4.25Å; F68-V70 HydrophobicContact CZ-CG2 3.46Å; F68-V70 VanDerWaalsContact CZ-CG2 3.46Å; F68-I156 HydrophobicContact CD2-CD1 3.59Å; F68-I156 HydrophobicContact CE2-CD1 3.42Å; F68-I156 VanDerWaalsContact CE2-CD1 3.42Å; F68-I156 HydrophobicContact CE2-CG1 4.45Å; F68-I156 HydrophobicContact CZ-CD1 4.28Å; F68-L174 HydrophobicContact CE2-CD2 4.31Å; F68-L174 HydrophobicContact CZ-CD2 3.94Å; F68-L257 HydrophobicContact CZ-CD2 4.48Å; F68-C259 HydrophobicContact CD2-CB 4.38Å; F68-C259 HydrophobicContact CE2-CB 3.54Å; F68-C259 HydrophobicContact CZ-CB 4.05Å; F68-W261 HydrophobicContact CB-CE3 4.29Å; F68-W261 HydrophobicContact CB-CZ3 4.04Å
69	N	93.4	Very high	93.8	Very high	54 Å²	54	43.7 Å²	43.7	29%	0.289	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.6	177.2	-166.6	48.9	0	0	0	110.2	C259 H260 K262	N69-C259 CarbonylContact O-C 3.5Å; N69-C259 WeakPolarHBondContact O-CA 3.39Å; N69-C259 VanDerWaalsContact O-CB 3.26Å; N69-C259 WeakPolarHBondContact O-CB 3.26Å; N69-H260 PolarHBondContact N-O 2.93Å; N69-H260 VanDerWaalsContact N-O 3.09Å; N69-H260 PolarHBondContact ND2-CE1 2.96Å; N69-H260 PolarHBondContact ND2-NE2 3.44Å; N69-H260 PolarHBondContact O-N 2.82Å; N69-K262 HydrophobicContact CB-CD 4.19Å; N69-K262 VanDerWaalsContact CB-CE 3.5Å; N69-K262 WeakPolarHBondContact ND2-CE 3.37Å; N69-K262 PolarHBondContact ND2-NZ 2.73Å; N69-K262 PolarHBondContact OD1-NZ 2.95Å
70	V	96	Very high	93.9	Very high	15 Å²	15	47.6 Å²	47.6	9%	0.091	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.1	173.6	179.3	0	0	0	0	107.9	L42 Y47 F68 L257 C259	L42-V70 HydrophobicContact CD1-CB 4.43Å; L42-V70 HydrophobicContact CD1-CG1 4.14Å; L42-V70 WeakPolarHBondContact CD1-O 3.27Å; L42-V70 HydrophobicContact CD2-CG1 3.69Å; Y47-V70 HydrophobicContact CE2-CG1 4.31Å; Y47-V70 WeakPolarHBondContact OH-CG2 3.43Å; F68-V70 HydrophobicContact CD1-CG2 4.06Å; F68-V70 HydrophobicContact CE1-CG2 3.33Å; F68-V70 HydrophobicContact CE2-CG2 4.25Å; F68-V70 HydrophobicContact CZ-CG2 3.46Å; F68-V70 VanDerWaalsContact CZ-CG2 3.46Å; V70-L257 HydrophobicContact CG1-CB 4.32Å; V70-L257 HydrophobicContact CG1-CD2 4.01Å; V70-L257 HydrophobicContact CG2-CD2 3.78Å; V70-C259 HydrophobicContact CG2-CB 4.45Å
71	E	95.7	Very high	94.1	Very high	81 Å²	81	43.4 Å²	43.4	38%	0.379	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-43.6	175.8	-169.6	-164.7	158.7	0	0	111.1	L42 F171 K258	L42-E71 WeakPolarHBondContact CD1-O 3.48Å; E71-F171 WeakPolarHBondContact OE2-CD1 3.35Å; E71-F171 WeakPolarHBondContact OE2-CE1 3.5Å; E71-F171 WeakPolarHBondContact OE2-CZ 3.38Å; E71-K258 HydrophobicContact CB-CD 4.36Å; E71-K258 PolarHBondContact N-O 3.15Å; E71-K258 IonicContact OE1-NZ 3.52Å; E71-K258 PolarHBondContact OE1-NZ 3.15Å; E71-K258 VanDerWaalsContact OE2-CD 3.31Å; E71-K258 WeakPolarHBondContact OE2-CD 3.47Å; E71-K258 WeakPolarHBondContact OE2-CE 3.45Å; E71-K258 IonicContact OE2-NZ 3.03Å; E71-K258 PolarHBondContact OE2-NZ 2.62Å
72	E	97.2	Very high	94.4	Very high	68 Å²	68	46.3 Å²	46.3	32%	0.318	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	148.3	-176.8	-61.8	178.1	108.7	0	0	109.7	W74 L257 K258	E72-W74 HydrophobicContact CB-CE3 4.49Å; E72-W74 HydrophobicContact CB-CH2 3.25Å; E72-W74 HydrophobicContact CB-CZ2 3.71Å; E72-W74 HydrophobicContact CB-CZ3 3.7Å; E72-W74 HydrophobicContact CG-CH2 4.16Å; E72-W74 HydrophobicContact CG-CZ2 4.39Å; E72-L257 WeakPolarHBondContact O-CA 3.48Å; E72-K258 HydrophobicContact CB-CB 4.2Å; E72-K258 HydrophobicContact CB-CD 4.27Å; E72-K258 HydrophobicContact CG-CD 4.25Å; E72-K258 PolarHBondContact O-N 2.98Å; E72-K258 WeakPolarHBondContact OE2-CD 3.46Å; E72-K258 WeakPolarHBondContact OE2-CE 3.32Å; E72-K258 IonicContact OE2-NZ 3.16Å; E72-K258 PolarHBondContact OE2-NZ 3.17Å
73	A	98	Very high	94.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	151.9	176	0	0	0	0	0	111.1	N39 V40 L42 Y47 I51 V256 L257	N39-A73 PolarHBondContact ND2-O 3.1Å; V40-A73 HydrophobicContact CB-CB 4.4Å; V40-A73 PolarHBondContact N-O 3.25Å; L42-A73 HydrophobicContact CD2-CB 3.88Å; Y47-A73 HydrophobicContact CD2-CB 3.99Å; Y47-A73 HydrophobicContact CE2-CB 4.28Å; I51-A73 HydrophobicContact CD1-CB 4.42Å; A73-V256 CarbonylContact C-O 3.55Å; A73-V256 WeakPolarHBondContact CA-O 3.36Å; A73-L257 HydrophobicContact CB-CG 4.33Å
74	W	98.2	Very high	95.2	Very high	26 Å²	26	44.8 Å²	44.8	10%	0.098	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	145.8	176.3	-56.6	-104.7	0	0	0	111.4	L37 Q38 N39 E72 W118 A255 V256 K258	L37-W74 HydrophobicContact CB-CB 4.35Å; L37-W74 HydrophobicContact CB-CG 4.45Å; L37-W74 HydrophobicContact CD2-CB 4.29Å; Q38-W74 CarbonylContact O-C 3.57Å; Q38-W74 WeakPolarHBondContact O-CA 3.37Å; Q38-W74 WeakPolarHBondContact O-CB 3.24Å; N39-W74 PolarHBondContact ND2-NE1 2.91Å; E72-W74 HydrophobicContact CB-CE3 4.49Å; E72-W74 HydrophobicContact CB-CH2 3.25Å; E72-W74 HydrophobicContact CB-CZ2 3.71Å; E72-W74 HydrophobicContact CB-CZ3 3.7Å; E72-W74 HydrophobicContact CG-CH2 4.16Å; E72-W74 HydrophobicContact CG-CZ2 4.39Å; W74-W118 AromaticContact CD2-CH2 3.81Å; W74-W118 HydrophobicContact CD2-CH2 3.81Å; W74-W118 HydrophobicContact CD2-CZ3 4.29Å; W74-W118 AromaticContact CE2-CH2 3.59Å; W74-W118 HydrophobicContact CE3-CH2 4.05Å; W74-W118 HydrophobicContact CE3-CZ3 4.06Å; W74-W118 HydrophobicContact CG-CH2 4.42Å; W74-W118 AromaticContact CH2-CH2 3.88Å; W74-W118 HydrophobicContact CH2-CH2 3.88Å; W74-W118 AromaticContact CH2-CZ3 3.65Å; W74-W118 HydrophobicContact CH2-CZ3 3.65Å; W74-W118 AromaticContact CZ2-CH2 3.65Å; W74-W118 HydrophobicContact CZ2-CH2 3.65Å; W74-W118 AromaticContact CZ2-CZ3 3.92Å; W74-W118 HydrophobicContact CZ2-CZ3 3.92Å; W74-W118 HydrophobicContact CZ3-CH2 4.08Å; W74-W118 AromaticContact CZ3-CZ3 3.74Å; W74-W118 HydrophobicContact CZ3-CZ3 3.74Å; W74-A255 CarbonylContact O-C 3.53Å; W74-A255 VanDerWaalsContact O-CA 3.22Å; W74-A255 WeakPolarHBondContact O-CA 3.46Å; W74-A255 WeakPolarHBondContact O-CB 3.31Å; W74-V256 HydrophobicContact CE3-CB 4.27Å; W74-V256 HydrophobicContact CE3-CG1 4.42Å; W74-V256 PolarHBondContact N-O 3.07Å; W74-V256 PolarHBondContact O-N 3.11Å; W74-K258 HydrophobicContact CH2-CB 3.97Å; W74-K258 HydrophobicContact CH2-CD 4.31Å; W74-K258 HydrophobicContact CZ3-CB 3.79Å
75	F	97.8	Very high	95.5	Very high	17 Å²	17	45.5 Å²	45.5	8%	0.075	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	146.4	159.6	-68.3	-52.8	0	0	0	110.5	L37 Q38 V40 D46 I51 Y254 A255	L37-F75 WeakPolarHBondContact CA-O 3.26Å; Q38-F75 PolarHBondContact N-O 3.47Å; Q38-F75 PolarHBondContact O-N 3.5Å; V40-F75 HydrophobicContact CG1-CE2 4.42Å; V40-F75 HydrophobicContact CG2-CD2 3.41Å; V40-F75 VanDerWaalsContact CG2-CD2 3.41Å; V40-F75 HydrophobicContact CG2-CE2 3.6Å; V40-F75 HydrophobicContact CG2-CG 3.94Å; V40-F75 HydrophobicContact CG2-CZ 4.25Å; D46-F75 HydrophobicContact CB-CE2 3.78Å; D46-F75 HydrophobicContact CB-CZ 3.85Å; I51-F75 HydrophobicContact CD1-CD1 4.12Å; I51-F75 HydrophobicContact CD1-CE1 3.53Å; I51-F75 HydrophobicContact CD1-CZ 3.91Å; I51-F75 HydrophobicContact CG1-CD1 4.45Å; I51-F75 HydrophobicContact CG1-CE1 3.55Å; I51-F75 HydrophobicContact CG1-CZ 4.02Å; F75-Y254 HydrophobicContact CD1-CE1 4.18Å; F75-Y254 HydrophobicContact CD1-CE2 4.38Å; F75-Y254 AromaticContact CD1-CZ 3.81Å; F75-Y254 HydrophobicContact CE1-CE1 4.05Å; F75-Y254 AromaticContact CE1-CZ 3.67Å; F75-Y254 WeakPolarHBondContact CE1-OH 3.28Å; F75-A255 HydrophobicContact CD1-CB 4.25Å
76	I	97.5	Very high	95.7	Very high	12 Å²	12	46.7 Å²	46.7	6%	0.062	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	119.5	168.5	-65.5	167.1	0	0	0	107.9	L36 L37 N78 A125 P253 Y254 V256	L36-I76 WeakPolarHBondContact O-CA 3.2Å; L37-I76 HydrophobicContact CD2-CG1 3.64Å; I76-N78 HydrophobicContact CG2-CB 4.34Å; I76-A125 HydrophobicContact CD1-CB 4.23Å; I76-A125 HydrophobicContact CG1-CB 4.1Å; I76-A125 HydrophobicContact CG2-CB 3.96Å; I76-P253 HydrophobicContact CD1-CB 3.73Å; I76-P253 HydrophobicContact CD1-CG 4.29Å; I76-Y254 PolarHBondContact N-O 3Å; I76-V256 HydrophobicContact CD1-CG2 3.75Å; I76-V256 HydrophobicContact CG1-CG2 3.95Å
77	H	95.7	Very high	95.9	Very high	47 Å²	47	47.6 Å²	47.6	22%	0.218	24%	0.236	C	C	.	.			trans	-110.5	100.2	172.7	-65	-72.6	0	0	0	108.8	L34 L36 Q38	L34-H77 HydrophobicContact CB-CB 4.39Å; L36-H77 PolarHBondContact O-N 2.88Å; Q38-H77 PolarHBondContact OE1-NE2 3.36Å
78	N	96.2	Very high	96	Very high	19 Å²	19	45.5 Å²	45.5	10%	0.102	23%	0.228	C	C	.	.			trans	-133.7	88.8	177.5	-174.1	-29.3	0	0	0	108.4	L36 I76 T80 L81 E82 A125 S126	L36-N78 HydrophobicContact CD1-CB 4.07Å; I76-N78 HydrophobicContact CG2-CB 4.34Å; N78-T80 PolarHBondContact O-N 2.83Å; N78-T80 WeakPolarHBondContact OD1-CB 3.33Å; N78-T80 PolarHBondContact OD1-N 3.22Å; N78-L81 HydrophobicContact CB-CB 4.18Å; N78-L81 HydrophobicContact CB-CD1 3.95Å; N78-L81 HydrophobicContact CB-CG 4.1Å; N78-L81 WeakPolarHBondContact ND2-CD1 3.37Å; N78-L81 WeakPolarHBondContact O-CA 3.39Å; N78-L81 PolarHBondContact O-N 3.16Å; N78-L81 PolarHBondContact OD1-N 2.82Å; N78-E82 PolarHBondContact N-OE1 3.2Å; N78-E82 WeakPolarHBondContact O-CG 3.26Å; N78-E82 PolarHBondContact O-N 3.44Å; N78-A125 PolarHBondContact ND2-O 2.93Å; N78-S126 PolarHBondContact ND2-O 3.22Å
79	K	95.2	Very high	96	Very high	141 Å²	141	49.9 Å²	49.9	61%	0.613	24%	0.244	S	C	*	.	H	α-helix	trans	-48.7	-36.9	-179.5	-170.9	-169.3	169.6	-119.7	0	112.9	E82 D83	K79-E82 PolarHBondContact N-OE1 2.96Å; K79-E82 PolarHBondContact O-N 3.09Å; K79-D83 VanDerWaalsContact CE-OD2 3.28Å; K79-D83 WeakPolarHBondContact CE-OD2 3.49Å; K79-D83 IonicContact NZ-OD2 3.89Å; K79-D83 PolarHBondContact NZ-OD2 3.23Å; K79-D83 VanDerWaalsContact O-CB 3.29Å; K79-D83 WeakPolarHBondContact O-CB 3.24Å; K79-D83 PolarHBondContact O-N 3.36Å
80	T	95.8	Very high	96	Very high	91 Å²	91	53 Å²	53	56%	0.558	26%	0.255	S	S	*	.	H	α-helix	trans	-65.8	-42.6	178.2	-52.9	0	0	0	0	111.5	N78 L84	N78-T80 PolarHBondContact O-N 2.83Å; N78-T80 WeakPolarHBondContact OD1-CB 3.33Å; N78-T80 PolarHBondContact OD1-N 3.22Å; T80-L84 HydrophobicContact CG2-CD1 4.44Å; T80-L84 WeakPolarHBondContact O-CB 3.31Å; T80-L84 WeakPolarHBondContact O-CD1 3.4Å; T80-L84 WeakPolarHBondContact O-CG 3.32Å; T80-L84 PolarHBondContact O-N 3.11Å; T80-L84 VanDerWaalsContact O-N 3.15Å
81	L	96.5	Very high	95.7	Very high	10 Å²	10	56 Å²	56	5%	0.052	27%	0.265	C	S	.	.	H	α-helix	trans	-69.1	-38.7	173.4	-61.6	177.6	0	0	0	111.6	N78 L84 F85 I252 P253	N78-L81 HydrophobicContact CB-CB 4.18Å; N78-L81 HydrophobicContact CB-CD1 3.95Å; N78-L81 HydrophobicContact CB-CG 4.1Å; N78-L81 WeakPolarHBondContact ND2-CD1 3.37Å; N78-L81 WeakPolarHBondContact O-CA 3.39Å; N78-L81 PolarHBondContact O-N 3.16Å; N78-L81 PolarHBondContact OD1-N 2.82Å; L81-L84 PolarHBondContact O-N 3.06Å; L81-F85 VanDerWaalsContact O-CB 3.23Å; L81-F85 WeakPolarHBondContact O-CB 3.4Å; L81-F85 PolarHBondContact O-N 3.48Å; L81-I252 HydrophobicContact CB-CD1 3.96Å; L81-I252 HydrophobicContact CB-CG1 4.04Å; L81-P253 HydrophobicContact CD1-CG 4.17Å
82	E	96.3	Very high	95.3	Very high	72 Å²	72	53.8 Å²	53.8	34%	0.336	25%	0.253	S	S	.	.	H	α-helix	trans	-64.7	-41.5	177.3	-66.6	161.3	-131.6	0	0	112.8	N78 K79 S86 I252	N78-E82 PolarHBondContact N-OE1 3.2Å; N78-E82 WeakPolarHBondContact O-CG 3.26Å; N78-E82 PolarHBondContact O-N 3.44Å; K79-E82 PolarHBondContact N-OE1 2.96Å; K79-E82 PolarHBondContact O-N 3.09Å; E82-S86 WeakPolarHBondContact O-CB 3.47Å; E82-S86 PolarHBondContact O-N 3.48Å; E82-S86 PolarHBondContact O-OG 3.07Å; E82-I252 HydrophobicContact CB-CD1 4.34Å; E82-I252 HydrophobicContact CG-CD1 3.77Å
83	D	96.7	Very high	94.8	Very high	74 Å²	74	54.9 Å²	54.9	40%	0.396	26%	0.259	S	S	.	.	H	α-helix	trans	-68.2	-38.7	176.6	-82.3	-33.5	0	0	0	110.7	K79 Q87	K79-D83 VanDerWaalsContact CE-OD2 3.28Å; K79-D83 WeakPolarHBondContact CE-OD2 3.49Å; K79-D83 IonicContact NZ-OD2 3.89Å; K79-D83 PolarHBondContact NZ-OD2 3.23Å; K79-D83 VanDerWaalsContact O-CB 3.29Å; K79-D83 WeakPolarHBondContact O-CB 3.24Å; K79-D83 PolarHBondContact O-N 3.36Å; D83-Q87 VanDerWaalsContact O-CG 3.27Å; D83-Q87 WeakPolarHBondContact O-CG 3.48Å; D83-Q87 PolarHBondContact O-N 3.21Å; D83-Q87 PolarHBondContact O-NE2 2.84Å
84	L	95.9	Very high	94.1	Very high	39 Å²	39	62.8 Å²	62.8	20%	0.204	29%	0.293	C	S	.	.	H	α-helix	trans	-66.4	-47.8	172.5	-70.7	170.1	0	0	0	111.8	T80 L81 S86 Q87 A88 E249	T80-L84 HydrophobicContact CG2-CD1 4.44Å; T80-L84 WeakPolarHBondContact O-CB 3.31Å; T80-L84 WeakPolarHBondContact O-CD1 3.4Å; T80-L84 WeakPolarHBondContact O-CG 3.32Å; T80-L84 PolarHBondContact O-N 3.11Å; T80-L84 VanDerWaalsContact O-N 3.15Å; L81-L84 PolarHBondContact O-N 3.06Å; L84-S86 VanDerWaalsContact C-N 3.27Å; L84-S86 PolarHBondContact O-N 3.29Å; L84-Q87 CarbonylContact O-C 3.58Å; L84-Q87 WeakPolarHBondContact O-CA 3.29Å; L84-Q87 WeakPolarHBondContact O-CB 3.41Å; L84-Q87 PolarHBondContact O-N 3.21Å; L84-A88 PolarHBondContact O-N 2.85Å; L84-E249 HydrophobicContact CB-CB 4.27Å; L84-E249 HydrophobicContact CB-CG 4.06Å; L84-E249 HydrophobicContact CD2-CG 4Å; L84-E249 HydrophobicContact CG-CG 4.46Å
85	F	96.7	Very high	93	Very high	21 Å²	21	64.6 Å²	64.6	9%	0.092	31%	0.305	C	S	.	.	H	α-helix	trans	-60.2	-38	176.6	-169.7	-98.1	0	0	0	112.3	L81 Q87 A88 R89 L108 R178 I180 E249 H250 I252	L81-F85 VanDerWaalsContact O-CB 3.23Å; L81-F85 WeakPolarHBondContact O-CB 3.4Å; L81-F85 PolarHBondContact O-N 3.48Å; F85-Q87 VanDerWaalsContact C-N 3.33Å; F85-Q87 PolarHBondContact O-N 3.2Å; F85-A88 PolarHBondContact O-N 2.8Å; F85-R89 WeakPolarHBondContact O-CB 3.33Å; F85-R89 PolarHBondContact O-N 3.47Å; F85-L108 HydrophobicContact CE1-CD1 3.99Å; F85-L108 HydrophobicContact CZ-CD1 3.63Å; F85-R178 HydrophobicContact CZ-CB 4.46Å; F85-I180 HydrophobicContact CD2-CD1 4.41Å; F85-I180 HydrophobicContact CE1-CG1 4.37Å; F85-I180 HydrophobicContact CE2-CD1 4.09Å; F85-I180 HydrophobicContact CE2-CG1 3.96Å; F85-I180 HydrophobicContact CZ-CD1 4.13Å; F85-I180 HydrophobicContact CZ-CG1 3.73Å; F85-E249 VanDerWaalsContact CA-O 3.25Å; F85-E249 WeakPolarHBondContact CA-O 3.5Å; F85-H250 WeakPolarHBondContact CE2-O 3.41Å; F85-I252 HydrophobicContact CB-CB 4.28Å; F85-I252 HydrophobicContact CB-CD1 4.23Å; F85-I252 HydrophobicContact CB-CG2 4.45Å; F85-I252 HydrophobicContact CD1-CG2 4.06Å; F85-I252 HydrophobicContact CD2-CB 3.74Å; F85-I252 HydrophobicContact CD2-CG2 3.54Å; F85-I252 HydrophobicContact CE1-CG2 4.13Å; F85-I252 HydrophobicContact CE2-CB 4.23Å; F85-I252 HydrophobicContact CE2-CG2 3.62Å; F85-I252 HydrophobicContact CG-CB 4.04Å; F85-I252 HydrophobicContact CG-CG2 3.76Å; F85-I252 HydrophobicContact CZ-CG2 3.92Å
86	S	95.6	Very high	91.3	Very high	50 Å²	50	67.4 Å²	67.4	35%	0.35	32%	0.324	S	S	.	.	H	α-helix	trans	-68	-29.7	173.4	-64.6	0	0	0	0	113.1	E82 L84 K90	E82-S86 WeakPolarHBondContact O-CB 3.47Å; E82-S86 PolarHBondContact O-N 3.48Å; E82-S86 PolarHBondContact O-OG 3.07Å; L84-S86 VanDerWaalsContact C-N 3.27Å; L84-S86 PolarHBondContact O-N 3.29Å; S86-K90 VanDerWaalsContact O-CD 3.25Å; S86-K90 WeakPolarHBondContact O-CD 3.43Å; S86-K90 WeakPolarHBondContact O-CG 3.46Å; S86-K90 PolarHBondContact O-N 3.34Å
87	Q	94.7	Very high	89.9	Confident	102 Å²	102	71.5 Å²	71.5	48%	0.477	35%	0.346	S	S	.	.	H	α-helix	trans	-74.8	-47.2	172.5	-75.2	169.2	91.4	0	0	111.3	D83 L84 F85 R89 K90 R91	D83-Q87 VanDerWaalsContact O-CG 3.27Å; D83-Q87 WeakPolarHBondContact O-CG 3.48Å; D83-Q87 PolarHBondContact O-N 3.21Å; D83-Q87 PolarHBondContact O-NE2 2.84Å; L84-Q87 CarbonylContact O-C 3.58Å; L84-Q87 WeakPolarHBondContact O-CA 3.29Å; L84-Q87 WeakPolarHBondContact O-CB 3.41Å; L84-Q87 PolarHBondContact O-N 3.21Å; F85-Q87 VanDerWaalsContact C-N 3.33Å; F85-Q87 PolarHBondContact O-N 3.2Å; Q87-R89 VanDerWaalsContact C-N 3.33Å; Q87-R89 PolarHBondContact O-N 3.19Å; Q87-K90 CarbonylContact O-C 3.56Å; Q87-K90 WeakPolarHBondContact O-CB 3.32Å; Q87-K90 PolarHBondContact O-N 2.99Å; Q87-K90 VanDerWaalsContact O-N 3.12Å; Q87-R91 PolarHBondContact O-N 3.11Å
88	A	94	Very high	88.2	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-54.7	-47	172.7	0	0	0	0	0	111.8	L84 F85 K90 R91 F92 I180 E249 H250	L84-A88 PolarHBondContact O-N 2.85Å; F85-A88 PolarHBondContact O-N 2.8Å; A88-K90 VanDerWaalsContact C-N 3.3Å; A88-K90 PolarHBondContact O-N 2.69Å; A88-R91 WeakPolarHBondContact O-CA 3.47Å; A88-R91 WeakPolarHBondContact O-CB 3.33Å; A88-R91 PolarHBondContact O-N 3.19Å; A88-F92 WeakPolarHBondContact O-CD2 3.35Å; A88-F92 PolarHBondContact O-N 2.87Å; A88-I180 HydrophobicContact CB-CD1 4.04Å; A88-E249 HydrophobicContact CB-CB 3.83Å; A88-H250 HydrophobicContact CB-CB 3.93Å
89	R	92.9	Very high	86.4	Confident	109 Å²	109	72.8 Å²	72.8	41%	0.411	35%	0.354	S	S	.	.	H	α-helix	trans	-57.1	-42.7	176.3	-165.6	173.6	-177.3	-179.7	1.2	112.2	F85 Q87 Q93 I180	F85-R89 WeakPolarHBondContact O-CB 3.33Å; F85-R89 PolarHBondContact O-N 3.47Å; Q87-R89 VanDerWaalsContact C-N 3.33Å; Q87-R89 PolarHBondContact O-N 3.19Å; R89-Q93 WeakPolarHBondContact O-CB 3.28Å; R89-Q93 VanDerWaalsContact O-CG 3.26Å; R89-Q93 WeakPolarHBondContact O-CG 3.45Å; R89-Q93 PolarHBondContact O-N 2.87Å; R89-I180 HydrophobicContact CB-CD1 3.78Å; R89-I180 HydrophobicContact CG-CD1 4.37Å
90	K	93.1	Very high	84.7	Confident	120 Å²	120	72.3 Å²	72.3	52%	0.522	36%	0.357	S	S	.	.	H	α-helix	trans	-66.8	-36.4	174.6	-68.8	163	-168.7	167.4	0	112.2	S86 Q87 A88 K94	S86-K90 VanDerWaalsContact O-CD 3.25Å; S86-K90 WeakPolarHBondContact O-CD 3.43Å; S86-K90 WeakPolarHBondContact O-CG 3.46Å; S86-K90 PolarHBondContact O-N 3.34Å; Q87-K90 CarbonylContact O-C 3.56Å; Q87-K90 WeakPolarHBondContact O-CB 3.32Å; Q87-K90 PolarHBondContact O-N 2.99Å; Q87-K90 VanDerWaalsContact O-N 3.12Å; A88-K90 VanDerWaalsContact C-N 3.3Å; A88-K90 PolarHBondContact O-N 2.69Å; K90-K94 VanDerWaalsContact O-CB 3.25Å; K90-K94 WeakPolarHBondContact O-CB 3.5Å; K90-K94 WeakPolarHBondContact O-CG 3.38Å; K90-K94 PolarHBondContact O-N 2.89Å; K90-K94 VanDerWaalsContact O-N 3.09Å
91	R	90.9	Very high	82.8	Confident	78 Å²	78	72.8 Å²	72.8	29%	0.294	36%	0.359	S	S	.	.	H	α-helix	trans	-64.7	-50.2	174.4	-73.1	-171.5	-73.5	121.5	4.3	111.1	Q87 A88 Q93 K94 N95 E237 E249	Q87-R91 PolarHBondContact O-N 3.11Å; A88-R91 WeakPolarHBondContact O-CA 3.47Å; A88-R91 WeakPolarHBondContact O-CB 3.33Å; A88-R91 PolarHBondContact O-N 3.19Å; R91-Q93 PolarHBondContact O-N 3.29Å; R91-K94 PolarHBondContact O-N 2.97Å; R91-N95 PolarHBondContact O-N 3.43Å; R91-E237 IonicContact CZ-OE1 3.09Å; R91-E237 IonicContact NH1-OE1 3.91Å; R91-E237 PolarHBondContact NH1-OE1 2.77Å; R91-E237 IonicContact NH2-OE1 3.54Å; R91-E237 PolarHBondContact NH2-OE1 2.87Å; R91-E249 IonicContact CZ-OE2 2.72Å; R91-E249 IonicContact NE-OE2 2.76Å; R91-E249 VanDerWaalsContact NH2-CD 3.3Å; R91-E249 IonicContact NH2-OE2 3Å; R91-E249 PolarHBondContact NH2-OE2 2.79Å
92	F	87.3	Confident	80.7	Confident	33 Å²	33	75 Å²	75	15%	0.145	37%	0.374	C	S	.	.	H	α-helix	trans	-62.4	-41.7	178.8	-83.5	-76.3	0	0	0	113.3	A88 I180 A205 H250	A88-F92 WeakPolarHBondContact O-CD2 3.35Å; A88-F92 PolarHBondContact O-N 2.87Å; F92-I180 HydrophobicContact CB-CG2 4.17Å; F92-I180 HydrophobicContact CD2-CG2 4.21Å; F92-I180 HydrophobicContact CG-CG2 4.16Å; F92-A205 HydrophobicContact CE1-CB 4.16Å; F92-A205 HydrophobicContact CZ-CB 4.08Å; F92-H250 HydrophobicContact CD2-CB 4.33Å; F92-H250 HydrophobicContact CE2-CB 3.7Å
93	Q	85	Confident	78.7	Confident	91 Å²	91	74.5 Å²	74.5	43%	0.425	39%	0.387	S	S	.	.	H	α-helix	trans	-67.7	-35	176.5	-74.2	176.5	-29.5	0	0	113.5	R89 R91 N99 S106	R89-Q93 WeakPolarHBondContact O-CB 3.28Å; R89-Q93 VanDerWaalsContact O-CG 3.26Å; R89-Q93 WeakPolarHBondContact O-CG 3.45Å; R89-Q93 PolarHBondContact O-N 2.87Å; R91-Q93 PolarHBondContact O-N 3.29Å; Q93-N99 PolarHBondContact O-ND2 3.35Å; Q93-S106 VanDerWaalsContact CG-OG 3.27Å; Q93-S106 WeakPolarHBondContact CG-OG 3.04Å
94	K	84.9	Confident	76.9	Confident	167 Å²	167	73.7 Å²	73.7	73%	0.726	39%	0.385	S	S	*	.	H	α-helix	trans	-77.5	-26.3	179	-78.5	176.8	177.5	-175.7	0	113.7	K90 R91 P96	K90-K94 VanDerWaalsContact O-CB 3.25Å; K90-K94 WeakPolarHBondContact O-CB 3.5Å; K90-K94 WeakPolarHBondContact O-CG 3.38Å; K90-K94 PolarHBondContact O-N 2.89Å; K90-K94 VanDerWaalsContact O-N 3.09Å; R91-K94 PolarHBondContact O-N 2.97Å; K94-P96 WeakPolarHBondContact O-CD 3.49Å; K94-P96 VanDerWaalsContact O-N 3.1Å
95	N	74.7	Confident	75.4	Confident	64 Å²	64	79.9 Å²	79.9	34%	0.342	41%	0.413	S	S	.	.			trans	-66.4	109.4	-171.9	-172.7	-21.8	0	0	0	110.6	R91 I97 N98	R91-N95 PolarHBondContact O-N 3.43Å; N95-I97 PolarHBondContact O-N 2.85Å; N95-I97 WeakPolarHBondContact OD1-CB 3.48Å; N95-I97 WeakPolarHBondContact OD1-CG1 3.35Å; N95-I97 PolarHBondContact OD1-N 3.36Å; N95-I97 VanDerWaalsContact OD1-N 3.15Å; N95-N98 PolarHBondContact O-N 3.29Å
96	P	62.7	Low	74.5	Confident	75 Å²	75	80.2 Å²	80.2	49%	0.487	42%	0.418	S	S	.	.	H	α-helix	trans	-68.3	-21.3	-171.3	29.6	-35.7	0	0	0	112.4	K94 N98 N99 I100	K94-P96 WeakPolarHBondContact O-CD 3.49Å; K94-P96 VanDerWaalsContact O-N 3.1Å; P96-N98 VanDerWaalsContact C-N 3.31Å; P96-N98 PolarHBondContact O-N 2.91Å; P96-N99 PolarHBondContact O-N 3.22Å; P96-I100 HydrophobicContact CB-CD1 3.89Å; P96-I100 VanDerWaalsContact O-CB 3.27Å; P96-I100 WeakPolarHBondContact O-CB 3.43Å; P96-I100 VanDerWaalsContact O-CG1 3.24Å; P96-I100 WeakPolarHBondContact O-CG1 3.38Å; P96-I100 PolarHBondContact O-N 3.21Å
97	I	66.3	Low	74.2	Confident	99 Å²	99	80.3 Å²	80.3	51%	0.508	42%	0.418	S	S	.	.	H	α-helix	trans	-63.1	-39.1	-179.7	-57	174.4	0	0	0	110.6	N95 V101	N95-I97 PolarHBondContact O-N 2.85Å; N95-I97 WeakPolarHBondContact OD1-CB 3.48Å; N95-I97 WeakPolarHBondContact OD1-CG1 3.35Å; N95-I97 PolarHBondContact OD1-N 3.36Å; N95-I97 VanDerWaalsContact OD1-N 3.15Å; I97-V101 WeakPolarHBondContact O-CB 3.48Å; I97-V101 WeakPolarHBondContact O-CG2 3.49Å; I97-V101 PolarHBondContact O-N 3.47Å
98	N	60.6	Low	74.1	Confident	12 Å²	12	79.4 Å²	79.4	6%	0.064	42%	0.416	C	S	.	.	H	α-helix	trans	-68.6	-48.1	178.6	-61.6	-27.2	0	0	0	111.1	N95 P96 T102	N95-N98 PolarHBondContact O-N 3.29Å; P96-N98 VanDerWaalsContact C-N 3.31Å; P96-N98 PolarHBondContact O-N 2.91Å; N98-T102 PolarHBondContact O-N 2.79Å; N98-T102 PolarHBondContact O-OG1 3.22Å
99	N	58.4	Low	74.1	Confident	80 Å²	80	80.9 Å²	80.9	43%	0.428	43%	0.426	S	S	.	.	H	α-helix	trans	-71.4	-42.7	-173.6	-62.8	-13.6	0	0	0	112.1	Q93 P96 G103	Q93-N99 PolarHBondContact O-ND2 3.35Å; P96-N99 PolarHBondContact O-N 3.22Å; N99-G103 PolarHBondContact O-N 3.43Å
100	I	59.8	Low	74.3	Confident	131 Å²	131	77.7 Å²	77.7	67%	0.672	42%	0.419	S	S	*	.	H	α-helix	trans	-77.1	-42.2	-174.4	-64.2	172	0	0	0	112.1	P96	P96-I100 HydrophobicContact CB-CD1 3.89Å; P96-I100 VanDerWaalsContact O-CB 3.27Å; P96-I100 WeakPolarHBondContact O-CB 3.43Å; P96-I100 VanDerWaalsContact O-CG1 3.24Å; P96-I100 WeakPolarHBondContact O-CG1 3.38Å; P96-I100 PolarHBondContact O-N 3.21Å
101	V	56	Low	74.4	Confident	101 Å²	101	72 Å²	72	61%	0.612	40%	0.395	S	S	*	.	H	α-helix	trans	-89.1	-27.5	-168.5	-175.4	0	0	0	0	112.6	I97	I97-V101 WeakPolarHBondContact O-CB 3.48Å; I97-V101 WeakPolarHBondContact O-CG2 3.49Å; I97-V101 PolarHBondContact O-N 3.47Å
102	T	53.2	Low	74.8	Confident	58 Å²	58	68.5 Å²	68.5	36%	0.356	38%	0.381	S	S	.	.	H	α-helix	trans	-128.4	-12.5	-171.5	57.2	0	0	0	0	116.3	N98 V104	N98-T102 PolarHBondContact O-N 2.79Å; N98-T102 PolarHBondContact O-OG1 3.22Å; T102-V104 PolarHBondContact O-N 2.88Å
103	G	53.9	Low	75.2	Confident	60 Å²	60	68.1 Å²	68.1	62%	0.619	38%	0.381	S	S	*	.			trans	60.5	12.5	-175.6	0	0	0	0	0	114.5	N99 E105	N99-G103 PolarHBondContact O-N 3.43Å; G103-E105 PolarHBondContact O-N 3.19Å; G103-E105 VanDerWaalsContact O-N 3.14Å
104	V	59.1	Low	75.8	Confident	58 Å²	58	64.5 Å²	64.5	35%	0.352	37%	0.365	S	S	.	.			trans	-79.6	99.7	-177	174.9	0	0	0	0	108.7	T102 S106	T102-V104 PolarHBondContact O-N 2.88Å; V104-S106 PolarHBondContact O-N 3.27Å
105	E	64.2	Low	76.3	Confident	169 Å²	169	57.3 Å²	57.3	79%	0.79	34%	0.335	S	S	*	.			trans	-58.7	132.9	169	-63.6	-163.9	146.6	0	0	110.4	G103 S107	G103-E105 PolarHBondContact O-N 3.19Å; G103-E105 VanDerWaalsContact O-N 3.14Å; E105-S107 PolarHBondContact O-N 2.79Å; E105-S107 PolarHBondContact O-OG 3.15Å
106	S	77.3	Confident	77.1	Confident	28 Å²	28	57.1 Å²	57.1	20%	0.196	33%	0.334	C	S	.	.			trans	-63.7	101.3	177.6	63.1	0	0	0	0	109.9	Q93 V104 K181	Q93-S106 VanDerWaalsContact CG-OG 3.27Å; Q93-S106 WeakPolarHBondContact CG-OG 3.04Å; V104-S106 PolarHBondContact O-N 3.27Å; S106-K181 WeakPolarHBondContact CA-O 3.47Å
107	S	88.7	Confident	78.6	Confident	51 Å²	51	55.5 Å²	55.5	36%	0.357	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	144.4	-171.7	31.9	0	0	0	0	111	E105 K181	E105-S107 PolarHBondContact O-N 2.79Å; E105-S107 PolarHBondContact O-OG 3.15Å; S107-K181 PolarHBondContact N-O 3.48Å; S107-K181 VanDerWaalsContact N-O 3.13Å; S107-K181 PolarHBondContact O-N 3.41Å
108	L	93.2	Very high	80	Confident	84 Å²	84	53.9 Å²	53.9	44%	0.44	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	119	174.9	-173.5	65.1	0	0	0	108.7	F85 R178	F85-L108 HydrophobicContact CE1-CD1 3.99Å; F85-L108 HydrophobicContact CZ-CD1 3.63Å; L108-R178 HydrophobicContact CD1-CB 4.2Å
109	C	94.7	Very high	81.7	Confident	30 Å²	30	59 Å²	59	20%	0.203	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	155.6	176.9	-72.3	0	0	0	0	111	R178 W179 K181	C109-R178 WeakPolarHBondContact O-CA 3.37Å; C109-W179 HydrophobicContact CB-CD2 4Å; C109-W179 VanDerWaalsContact CB-CE2 3.45Å; C109-W179 HydrophobicContact CB-CG 4.36Å; C109-W179 HydrophobicContact CB-CH2 4.49Å; C109-W179 HydrophobicContact CB-CZ2 3.73Å; C109-W179 PolarHBondContact N-O 2.97Å; C109-W179 PolarHBondContact O-N 3.01Å; C109-K181 HydrophobicContact CB-CB 4.39Å
110	T	95.8	Very high	83.5	Confident	43 Å²	43	58.6 Å²	58.6	26%	0.264	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	142.4	174.2	-56	0	0	0	0	108.8	F112 M176 V177	T110-F112 HydrophobicContact CG2-CE1 4.27Å; T110-F112 HydrophobicContact CG2-CE2 4.23Å; T110-F112 HydrophobicContact CG2-CZ 3.76Å; T110-M176 HydrophobicContact CG2-CG 3.37Å; T110-M176 HydrophobicContact CG2-SD 3.86Å; T110-V177 CarbonylContact C-O 3.57Å; T110-V177 VanDerWaalsContact CA-O 3.28Å; T110-V177 WeakPolarHBondContact CA-O 3.37Å
111	G	96.9	Very high	85.3	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	173.2	172.6	0	0	0	0	0	110.6	N149 V177	G111-N149 CarbonylContact C-O 3.55Å; G111-N149 VanDerWaalsContact CA-O 3.3Å; G111-N149 WeakPolarHBondContact CA-O 3.14Å; G111-V177 PolarHBondContact N-O 3.25Å; G111-V177 PolarHBondContact O-N 3.32Å
112	F	97.7	Very high	87.2	Confident	3 Å²	3	52 Å²	52	1%	0.013	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	143.8	-168.1	-57.9	-82.8	0	0	0	111.7	I55 S58 T110 N149 A152 L174 M176	I55-F112 HydrophobicContact CG1-CE1 4.09Å; S58-F112 VanDerWaalsContact OG-CE2 3.23Å; S58-F112 WeakPolarHBondContact OG-CE2 3.39Å; S58-F112 VanDerWaalsContact OG-CZ 3.31Å; S58-F112 WeakPolarHBondContact OG-CZ 3.34Å; T110-F112 HydrophobicContact CG2-CE1 4.27Å; T110-F112 HydrophobicContact CG2-CE2 4.23Å; T110-F112 HydrophobicContact CG2-CZ 3.76Å; F112-N149 PolarHBondContact N-O 2.86Å; F112-N149 PolarHBondContact O-N 3.01Å; F112-A152 HydrophobicContact CD1-CB 3.85Å; F112-A152 HydrophobicContact CD2-CB 3.97Å; F112-A152 HydrophobicContact CE1-CB 4.04Å; F112-A152 HydrophobicContact CE2-CB 4.2Å; F112-A152 HydrophobicContact CG-CB 3.81Å; F112-A152 HydrophobicContact CZ-CB 4.21Å; F112-L174 HydrophobicContact CB-CD1 4.05Å; F112-L174 HydrophobicContact CD1-CD1 4.05Å; F112-L174 HydrophobicContact CD1-CD2 4.35Å; F112-L174 HydrophobicContact CD1-CG 4.3Å; F112-L174 HydrophobicContact CG-CD1 4.44Å; F112-M176 HydrophobicContact CD1-CG 4.35Å; F112-M176 HydrophobicContact CE1-CB 4.25Å; F112-M176 HydrophobicContact CE1-CG 3.71Å; F112-M176 HydrophobicContact CE1-SD 3.96Å; F112-M176 HydrophobicContact CZ-CG 4.33Å; F112-M176 HydrophobicContact CZ-SD 4.39Å
113	L	97	Very high	89.3	Confident	26 Å²	26	54.7 Å²	54.7	14%	0.136	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	147.5	170.8	179.4	63.2	0	0	0	107.4	I124 L129 I175	L113-I124 HydrophobicContact CD2-CD1 4.24Å; L113-L129 HydrophobicContact CD2-CD2 3.73Å; L113-I175 PolarHBondContact N-O 2.86Å; L113-I175 VanDerWaalsContact N-O 3.09Å; L113-I175 PolarHBondContact O-N 2.74Å
114	V	96.4	Very high	91.3	Very high	14 Å²	14	53 Å²	53	9%	0.085	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.9	172.6	164.4	0	0	0	0	109	T155 I156 E159 L172 Y173 L174	V114-T155 HydrophobicContact CB-CG2 4.2Å; V114-T155 HydrophobicContact CG2-CG2 3.69Å; V114-I156 HydrophobicContact CG2-CG1 4.47Å; V114-E159 HydrophobicContact CB-CB 4.3Å; V114-E159 HydrophobicContact CB-CG 3.96Å; V114-E159 HydrophobicContact CG1-CB 3.78Å; V114-E159 HydrophobicContact CG1-CG 3.91Å; V114-L172 HydrophobicContact CG1-CB 3.96Å; V114-L172 HydrophobicContact CG1-CD1 4.25Å; V114-L172 HydrophobicContact CG1-CD2 3.79Å; V114-L172 HydrophobicContact CG1-CG 4.22Å; V114-Y173 WeakPolarHBondContact CA-O 3.39Å; V114-L174 HydrophobicContact CG2-CB 4.33Å; V114-L174 HydrophobicContact CG2-CD1 3.64Å
115	V	95.1	Very high	93.2	Very high	17 Å²	17	50.2 Å²	50.2	10%	0.103	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	152.3	172.3	-57.8	0	0	0	0	111.1	D120 V121 I124 Y173 I175	V115-D120 HydrophobicContact CB-CB 3.95Å; V115-D120 HydrophobicContact CG1-CB 4.22Å; V115-D120 HydrophobicContact CG2-CB 4.07Å; V115-V121 HydrophobicContact CG2-CG2 3.51Å; V115-I124 HydrophobicContact CG1-CD1 3.88Å; V115-Y173 PolarHBondContact N-O 2.77Å; V115-Y173 PolarHBondContact O-N 3.32Å; V115-I175 HydrophobicContact CG1-CD1 4.08Å; V115-I175 HydrophobicContact CG2-CD1 3.93Å; V115-I175 HydrophobicContact CG2-CG1 4.41Å
116	N	92.8	Very high	94.7	Very high	60 Å²	60	44.5 Å²	44.5	32%	0.321	24%	0.242	S	C	.	.	S	Bend	trans	-100.7	-6	-170.3	-68.9	-48.7	0	0	0	113.9	Q170 L172	N116-Q170 PolarHBondContact O-NE2 2.82Å; N116-L172 WeakPolarHBondContact OD1-CD2 3.41Å
117	S	93.3	Very high	95.6	Very high	40 Å²	40	46.3 Å²	46.3	28%	0.28	25%	0.249	S	C	.	.	S	Bend	trans	-132.6	152.3	176	93.5	0	0	0	0	111.7	N119 D120	S117-N119 VanDerWaalsContact C-N 3.33Å; S117-N119 PolarHBondContact OG-N 3.45Å; S117-D120 WeakPolarHBondContact CB-OD2 3.37Å; S117-D120 PolarHBondContact O-N 2.86Å; S117-D120 PolarHBondContact OG-N 3.24Å; S117-D120 PolarHBondContact OG-OD2 2.92Å
118	W	95.6	Very high	95.9	Very high	66 Å²	66	44.1 Å²	44.1	25%	0.25	24%	0.235	C	C	.	.	H	α-helix	trans	-70.3	-30.4	175.3	-174.6	-99.3	0	0	0	112.3	L37 W74 D120 V121 E122 Y173	L37-W118 HydrophobicContact CD1-CH2 3.8Å; L37-W118 HydrophobicContact CD1-CZ2 3.43Å; L37-W118 VanDerWaalsContact CD1-CZ2 3.43Å; W74-W118 AromaticContact CD2-CH2 3.81Å; W74-W118 HydrophobicContact CD2-CH2 3.81Å; W74-W118 HydrophobicContact CD2-CZ3 4.29Å; W74-W118 AromaticContact CE2-CH2 3.59Å; W74-W118 HydrophobicContact CE3-CH2 4.05Å; W74-W118 HydrophobicContact CE3-CZ3 4.06Å; W74-W118 HydrophobicContact CG-CH2 4.42Å; W74-W118 AromaticContact CH2-CH2 3.88Å; W74-W118 HydrophobicContact CH2-CH2 3.88Å; W74-W118 AromaticContact CH2-CZ3 3.65Å; W74-W118 HydrophobicContact CH2-CZ3 3.65Å; W74-W118 AromaticContact CZ2-CH2 3.65Å; W74-W118 HydrophobicContact CZ2-CH2 3.65Å; W74-W118 AromaticContact CZ2-CZ3 3.92Å; W74-W118 HydrophobicContact CZ2-CZ3 3.92Å; W74-W118 HydrophobicContact CZ3-CH2 4.08Å; W74-W118 AromaticContact CZ3-CZ3 3.74Å; W74-W118 HydrophobicContact CZ3-CZ3 3.74Å; W118-D120 PolarHBondContact O-N 2.93Å; W118-V121 HydrophobicContact CE3-CB 4.31Å; W118-V121 HydrophobicContact CE3-CG1 4.38Å; W118-V121 HydrophobicContact CE3-CG2 4.31Å; W118-V121 HydrophobicContact CZ3-CG1 4.28Å; W118-V121 WeakPolarHBondContact O-CA 3.18Å; W118-V121 VanDerWaalsContact O-CB 3.27Å; W118-V121 WeakPolarHBondContact O-CB 3.31Å; W118-V121 PolarHBondContact O-N 3.28Å; W118-E122 VanDerWaalsContact CD1-CD 3.49Å; W118-E122 VanDerWaalsContact NE1-CD 3.25Å; W118-E122 PolarHBondContact NE1-OE1 2.9Å; W118-E122 PolarHBondContact O-N 3.14Å; W118-Y173 AromaticContact CE3-CD1 3.9Å; W118-Y173 HydrophobicContact CE3-CD1 3.9Å; W118-Y173 AromaticContact CE3-CE1 3.57Å; W118-Y173 HydrophobicContact CE3-CE1 3.57Å; W118-Y173 HydrophobicContact CZ3-CD1 4.14Å; W118-Y173 HydrophobicContact CZ3-CE1 4Å
119	N	96.4	Very high	96	Very high	118 Å²	118	40.7 Å²	40.7	63%	0.631	22%	0.217	S	C	*	.	H	α-helix	trans	-62	-34.9	176.9	-57.9	19.3	0	0	0	111.5	S117 K123	S117-N119 VanDerWaalsContact C-N 3.33Å; S117-N119 PolarHBondContact OG-N 3.45Å; N119-K123 WeakPolarHBondContact O-CB 3.15Å; N119-K123 PolarHBondContact O-N 2.89Å
120	D	96.1	Very high	96	Very high	73 Å²	73	43.3 Å²	43.3	39%	0.39	23%	0.228	S	C	.	.	H	α-helix	trans	-69.2	-35.4	173.8	-58.4	-55.1	0	0	0	111.5	V115 S117 W118 I124	V115-D120 HydrophobicContact CB-CB 3.95Å; V115-D120 HydrophobicContact CG1-CB 4.22Å; V115-D120 HydrophobicContact CG2-CB 4.07Å; S117-D120 WeakPolarHBondContact CB-OD2 3.37Å; S117-D120 PolarHBondContact O-N 2.86Å; S117-D120 PolarHBondContact OG-N 3.24Å; S117-D120 PolarHBondContact OG-OD2 2.92Å; W118-D120 PolarHBondContact O-N 2.93Å; D120-I124 VanDerWaalsContact O-CB 3.32Å; D120-I124 WeakPolarHBondContact O-CB 3.45Å; D120-I124 WeakPolarHBondContact O-CD1 3.47Å; D120-I124 WeakPolarHBondContact O-CG1 3.41Å; D120-I124 PolarHBondContact O-N 3.42Å
121	V	97.2	Very high	95.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.4	-51.5	173.2	177.8	0	0	0	0	110.7	L37 V115 W118 K123 I124 A125 Y173 V256	L37-V121 HydrophobicContact CD1-CG1 4.18Å; L37-V121 HydrophobicContact CD2-CG1 4.5Å; V115-V121 HydrophobicContact CG2-CG2 3.51Å; W118-V121 HydrophobicContact CE3-CB 4.31Å; W118-V121 HydrophobicContact CE3-CG1 4.38Å; W118-V121 HydrophobicContact CE3-CG2 4.31Å; W118-V121 HydrophobicContact CZ3-CG1 4.28Å; W118-V121 WeakPolarHBondContact O-CA 3.18Å; W118-V121 VanDerWaalsContact O-CB 3.27Å; W118-V121 WeakPolarHBondContact O-CB 3.31Å; W118-V121 PolarHBondContact O-N 3.28Å; V121-K123 VanDerWaalsContact C-N 3.33Å; V121-K123 PolarHBondContact O-N 3.48Å; V121-I124 PolarHBondContact O-N 3.4Å; V121-A125 WeakPolarHBondContact O-CB 3.26Å; V121-A125 PolarHBondContact O-N 2.87Å; V121-Y173 HydrophobicContact CG2-CD1 4.33Å; V121-Y173 HydrophobicContact CG2-CD2 4.32Å; V121-Y173 HydrophobicContact CG2-CG 3.83Å; V121-V256 HydrophobicContact CG1-CB 4.25Å; V121-V256 HydrophobicContact CG1-CG1 3.75Å; V121-V256 HydrophobicContact CG1-CG2 3.66Å; V121-V256 HydrophobicContact CG2-CG1 4.15Å
122	E	97.1	Very high	95.8	Very high	92 Å²	92	44 Å²	44	43%	0.43	24%	0.24	S	C	.	.	H	α-helix	trans	-61	-43	-179.4	-70.1	-177.5	156.7	0	0	111.5	L37 W118 A125 S126	L37-E122 HydrophobicContact CD1-CG 4.3Å; W118-E122 VanDerWaalsContact CD1-CD 3.49Å; W118-E122 VanDerWaalsContact NE1-CD 3.25Å; W118-E122 PolarHBondContact NE1-OE1 2.9Å; W118-E122 PolarHBondContact O-N 3.14Å; E122-A125 PolarHBondContact O-N 2.94Å; E122-S126 PolarHBondContact O-N 3.09Å; E122-S126 PolarHBondContact O-OG 2.97Å
123	K	96.8	Very high	95.6	Very high	115 Å²	115	46.2 Å²	46.2	50%	0.5	25%	0.252	S	S	.	.	H	α-helix	trans	-63.7	-44.6	175.7	-173.5	-175.1	176.5	-173.2	0	112.7	N119 V121 A125 S126 D127	N119-K123 WeakPolarHBondContact O-CB 3.15Å; N119-K123 PolarHBondContact O-N 2.89Å; V121-K123 VanDerWaalsContact C-N 3.33Å; V121-K123 PolarHBondContact O-N 3.48Å; K123-A125 VanDerWaalsContact C-N 3.27Å; K123-A125 PolarHBondContact O-N 3.41Å; K123-S126 PolarHBondContact O-N 3.37Å; K123-S126 PolarHBondContact O-OG 3.4Å; K123-S126 VanDerWaalsContact O-OG 3.13Å; K123-D127 WeakPolarHBondContact CG-OD2 3.03Å; K123-D127 VanDerWaalsContact O-CB 3.3Å; K123-D127 WeakPolarHBondContact O-CB 3.48Å; K123-D127 PolarHBondContact O-N 3.47Å
124	I	97.2	Very high	95.4	Very high	24 Å²	24	45.6 Å²	45.6	12%	0.123	25%	0.248	C	C	.	.	H	α-helix	trans	-66.3	-34.7	177.3	-72.5	167.4	0	0	0	110.6	L113 V115 D120 V121 G128 L129 I175 P253	L113-I124 HydrophobicContact CD2-CD1 4.24Å; V115-I124 HydrophobicContact CG1-CD1 3.88Å; D120-I124 VanDerWaalsContact O-CB 3.32Å; D120-I124 WeakPolarHBondContact O-CB 3.45Å; D120-I124 WeakPolarHBondContact O-CD1 3.47Å; D120-I124 WeakPolarHBondContact O-CG1 3.41Å; D120-I124 PolarHBondContact O-N 3.42Å; V121-I124 PolarHBondContact O-N 3.4Å; I124-G128 CarbonylContact O-C 3.57Å; I124-G128 WeakPolarHBondContact O-CA 3.47Å; I124-G128 PolarHBondContact O-N 3.03Å; I124-L129 HydrophobicContact CD1-CD2 4.14Å; I124-L129 HydrophobicContact CG1-CD2 4.19Å; I124-L129 HydrophobicContact CG2-CD2 3.61Å; I124-L129 HydrophobicContact CG2-CG 3.93Å; I124-I175 HydrophobicContact CB-CD1 4.15Å; I124-I175 HydrophobicContact CD1-CD1 3.62Å; I124-I175 HydrophobicContact CG1-CD1 4.49Å; I124-I175 HydrophobicContact CG2-CD1 3.92Å; I124-I175 HydrophobicContact CG2-CG2 4.45Å; I124-P253 HydrophobicContact CG2-CB 3.81Å; I124-P253 HydrophobicContact CG2-CG 3.97Å; I124-P253 WeakPolarHBondContact O-CG 3.39Å
125	A	97.3	Very high	95.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.3	-41.1	174.3	0	0	0	0	0	112.4	L36 L37 I76 N78 V121 E122 K123	L36-A125 HydrophobicContact CD1-CB 4.26Å; L36-A125 HydrophobicContact CD2-CB 4.04Å; L36-A125 HydrophobicContact CG-CB 3.94Å; L37-A125 HydrophobicContact CD2-CB 4.14Å; L37-A125 HydrophobicContact CG-CB 4.47Å; I76-A125 HydrophobicContact CD1-CB 4.23Å; I76-A125 HydrophobicContact CG1-CB 4.1Å; I76-A125 HydrophobicContact CG2-CB 3.96Å; N78-A125 PolarHBondContact ND2-O 2.93Å; V121-A125 WeakPolarHBondContact O-CB 3.26Å; V121-A125 PolarHBondContact O-N 2.87Å; E122-A125 PolarHBondContact O-N 2.94Å; K123-A125 VanDerWaalsContact C-N 3.27Å; K123-A125 PolarHBondContact O-N 3.41Å
126	S	96.2	Very high	94.8	Very high	49 Å²	49	49.8 Å²	49.8	34%	0.343	27%	0.274	S	S	.	.	H	α-helix	trans	-77.4	-47.7	-180	63.8	0	0	0	0	113.6	N78 E122 K123	N78-S126 PolarHBondContact ND2-O 3.22Å; E122-S126 PolarHBondContact O-N 3.09Å; E122-S126 PolarHBondContact O-OG 2.97Å; K123-S126 PolarHBondContact O-N 3.37Å; K123-S126 PolarHBondContact O-OG 3.4Å; K123-S126 VanDerWaalsContact O-OG 3.13Å
127	D	95.4	Very high	94.8	Very high	66 Å²	66	47 Å²	47	35%	0.353	26%	0.259	S	S	.	.	H	α-helix	trans	-94.3	-24.3	-167.3	-58.6	-1.6	0	0	0	111.2	K123 K247	K123-D127 WeakPolarHBondContact CG-OD2 3.03Å; K123-D127 VanDerWaalsContact O-CB 3.3Å; K123-D127 WeakPolarHBondContact O-CB 3.48Å; K123-D127 PolarHBondContact O-N 3.47Å; D127-K247 VanDerWaalsContact O-CE 3.32Å; D127-K247 WeakPolarHBondContact O-CE 3.28Å; D127-K247 PolarHBondContact O-NZ 3.16Å
128	G	95.9	Very high	94.7	Very high	6 Å²	6	46 Å²	46	6%	0.062	25%	0.249	C	C	.	.			trans	88.6	-168.2	-167.4	0	0	0	0	0	112.3	I124	I124-G128 CarbonylContact O-C 3.57Å; I124-G128 WeakPolarHBondContact O-CA 3.47Å; I124-G128 PolarHBondContact O-N 3.03Å
129	L	95.7	Very high	94.6	Very high	11 Å²	11	42.8 Å²	42.8	6%	0.058	24%	0.237	C	C	.	.			trans	-95.3	134	178.9	-71.5	161.8	0	0	0	110.3	L113 I124 L146 V177 V251 P253	L113-L129 HydrophobicContact CD2-CD2 3.73Å; I124-L129 HydrophobicContact CD1-CD2 4.14Å; I124-L129 HydrophobicContact CG1-CD2 4.19Å; I124-L129 HydrophobicContact CG2-CD2 3.61Å; I124-L129 HydrophobicContact CG2-CG 3.93Å; L129-L146 HydrophobicContact CB-CD1 3.74Å; L129-L146 HydrophobicContact CB-CD2 3.56Å; L129-L146 HydrophobicContact CB-CG 4.3Å; L129-L146 HydrophobicContact CD1-CD2 4.11Å; L129-L146 HydrophobicContact CD2-CD1 4.41Å; L129-L146 HydrophobicContact CG-CD2 4.38Å; L129-V177 HydrophobicContact CD1-CB 4.19Å; L129-V177 HydrophobicContact CD1-CG1 3.46Å; L129-V177 VanDerWaalsContact CD1-CG1 3.46Å; L129-V177 HydrophobicContact CD1-CG2 3.59Å; L129-V251 HydrophobicContact CD1-CG1 4.13Å; L129-P253 HydrophobicContact CD1-CB 4.19Å; L129-P253 HydrophobicContact CG-CB 4.44Å
130	I	93.9	Very high	94.5	Very high	85 Å²	85	37.2 Å²	37.2	44%	0.436	21%	0.207	S	C	.	.			trans	-117.3	141.6	-172.9	-55.7	175.7	0	0	0	108.8	L146	I130-L146 VanDerWaalsContact O-CD1 3.24Å; I130-L146 WeakPolarHBondContact O-CD1 3.49Å
131	P	95.1	Very high	94.4	Very high	24 Å²	24	37 Å²	37	16%	0.156	20%	0.204	C	C	.	.	S	Bend	trans	-49.2	149.7	171.9	-31.7	38.8	0	0	0	114.5	K143 G145 T246	P131-K143 WeakPolarHBondContact CB-O 3.28Å; P131-G145 VanDerWaalsContact CA-O 3.27Å; P131-G145 WeakPolarHBondContact CA-O 3.42Å; P131-T246 WeakPolarHBondContact CD-O 3.46Å
132	G	93.4	Very high	94.2	Very high	36 Å²	36	40.5 Å²	40.5	37%	0.371	22%	0.22	S	C	.	.			trans	82.1	19.4	-178.2	0	0	0	0	0	115.1	Q142 G145	G132-Q142 WeakPolarHBondContact CA-O 3.36Å; G132-Q142 PolarHBondContact N-O 3.26Å; G132-G145 PolarHBondContact N-O 3.2Å; G132-G145 VanDerWaalsContact N-O 3.09Å
133	N	93.9	Very high	94.1	Very high	49 Å²	49	44.5 Å²	44.5	26%	0.262	24%	0.236	S	C	.	.	S	Bend	trans	-70.7	-25.2	179.7	73.8	-51.2	0	0	0	114.6	L146 S147	N133-L146 HydrophobicContact CB-CD1 3.89Å; N133-L146 VanDerWaalsContact CG-CD1 3.43Å; N133-L146 WeakPolarHBondContact OD1-CD1 3.27Å; N133-S147 PolarHBondContact ND2-O 2.83Å; N133-S147 PolarHBondContact OD1-N 2.9Å
134	D	92.5	Very high	94	Very high	12 Å²	12	41.4 Å²	41.4	6%	0.064	23%	0.225	C	C	.	.			trans	-125.1	113.9	174.5	-171.3	-17.4	0	0	0	109.2	D136 T137 R158 Q232	D134-D136 PolarHBondContact O-N 3.21Å; D134-D136 WeakPolarHBondContact OD1-CB 3.46Å; D134-D136 PolarHBondContact OD1-N 3.17Å; D134-T137 VanDerWaalsContact O-CG2 3.3Å; D134-T137 WeakPolarHBondContact O-CG2 3.2Å; D134-R158 IonicContact OD2-NH1 3.27Å; D134-Q232 PolarHBondContact OD2-NE2 3.04Å
135	P	90.8	Very high	93.9	Very high	67 Å²	67	40.3 Å²	40.3	44%	0.435	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-23.6	177.8	29.4	-34.3	0	0	0	112.4	T137 Q142 R197	P135-T137 VanDerWaalsContact C-N 3.31Å; P135-T137 PolarHBondContact O-N 3.1Å; P135-Q142 WeakPolarHBondContact O-CG 3.43Å; P135-Q142 PolarHBondContact O-NE2 3.02Å; P135-R197 PolarHBondContact O-NH1 2.83Å; P135-R197 PolarHBondContact O-NH2 3.02Å
136	D	89.2	Confident	93.9	Very high	53 Å²	53	40.3 Å²	40.3	28%	0.283	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-4.4	-169	-52.4	-37.2	0	0	0	111.8	D134 W138 R158 R162 H229	D134-D136 PolarHBondContact O-N 3.21Å; D134-D136 WeakPolarHBondContact OD1-CB 3.46Å; D134-D136 PolarHBondContact OD1-N 3.17Å; D136-W138 PolarHBondContact O-N 3.33Å; D136-R158 IonicContact OD2-NH2 3.37Å; D136-R158 PolarHBondContact OD2-NH2 2.88Å; D136-R158 VanDerWaalsContact OD2-NH2 3.16Å; D136-R162 IonicContact OD2-CZ 2.8Å; D136-R162 VanDerWaalsContact OD2-CZ 3.27Å; D136-R162 IonicContact OD2-NH1 3.74Å; D136-R162 PolarHBondContact OD2-NH1 3.32Å; D136-R162 IonicContact OD2-NH2 2.66Å; D136-R162 PolarHBondContact OD2-NH2 2.94Å; D136-H229 VanDerWaalsContact CB-CE1 3.49Å; D136-H229 WeakPolarHBondContact CB-CE1 3.49Å; D136-H229 PolarHBondContact O-CE1 3.29Å
137	T	91.5	Very high	93.9	Very high	1 Å²	1	38 Å²	38	1%	0.006	20%	0.203	C	C	.	.			trans	-61.2	112.4	-177.1	-169.7	0	0	0	0	114.7	D134 P135 Q142 S147 R197 Y234	D134-T137 VanDerWaalsContact O-CG2 3.3Å; D134-T137 WeakPolarHBondContact O-CG2 3.2Å; P135-T137 VanDerWaalsContact C-N 3.31Å; P135-T137 PolarHBondContact O-N 3.1Å; T137-Q142 HydrophobicContact CG2-CG 4.32Å; T137-S147 WeakPolarHBondContact CB-OG 3.43Å; T137-S147 WeakPolarHBondContact CG2-OG 3.38Å; T137-S147 PolarHBondContact OG1-OG 3.5Å; T137-R197 WeakPolarHBondContact O-CD 3.34Å; T137-R197 PolarHBondContact O-NE 2.92Å; T137-R197 PolarHBondContact O-NH1 3.44Å; T137-Y234 HydrophobicContact CG2-CD2 4.33Å
138	W	91.9	Very high	93.9	Very high	18 Å²	18	35 Å²	35	7%	0.068	19%	0.187	C	C	.	.			trans	-82.5	-22.4	-178.4	68.7	-77.8	0	0	0	113.6	D136 G140 V187 A191 E192 H229 L230	D136-W138 PolarHBondContact O-N 3.33Å; W138-G140 PolarHBondContact O-N 3.1Å; W138-G140 VanDerWaalsContact O-N 3.17Å; W138-V187 HydrophobicContact CE3-CG1 4.34Å; W138-V187 HydrophobicContact CH2-CG1 4.17Å; W138-V187 HydrophobicContact CZ3-CB 4.42Å; W138-V187 HydrophobicContact CZ3-CG1 3.63Å; W138-A191 HydrophobicContact CZ3-CB 4.24Å; W138-E192 HydrophobicContact CB-CG 4.42Å; W138-E192 HydrophobicContact CD2-CB 4.19Å; W138-E192 HydrophobicContact CD2-CG 4.39Å; W138-E192 HydrophobicContact CE3-CB 3.85Å; W138-E192 HydrophobicContact CG-CG 4.34Å; W138-E192 HydrophobicContact CZ3-CB 4.29Å; W138-H229 AromaticContact CD1-ND1 3.99Å; W138-H229 PolarHBondContact NE1-O 3.33Å; W138-L230 HydrophobicContact CH2-CD2 4.35Å; W138-L230 HydrophobicContact CZ2-CD2 3.82Å
139	L	93.9	Very high	93.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-65.6	-17.6	-174.1	-70.4	173.3	0	0	0	114.4	V187 H207 Q232 Y234	L139-V187 HydrophobicContact CD2-CB 3.86Å; L139-V187 HydrophobicContact CD2-CG1 4.32Å; L139-V187 HydrophobicContact CD2-CG2 4.12Å; L139-H207 HydrophobicContact CB-CB 4.17Å; L139-H207 PolarHBondContact O-ND1 3.24Å; L139-Q232 HydrophobicContact CD1-CB 3.8Å; L139-Q232 WeakPolarHBondContact CD1-O 3.43Å; L139-Y234 HydrophobicContact CB-CG 4.28Å
140	G	94	Very high	93.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-177.3	178.8	175.4	0	0	0	0	0	113.8	W138 Q142 R197 L198	W138-G140 PolarHBondContact O-N 3.1Å; W138-G140 VanDerWaalsContact O-N 3.17Å; G140-Q142 PolarHBondContact O-N 2.7Å; G140-R197 WeakPolarHBondContact O-CD 3.26Å; G140-L198 CarbonylContact C-O 3.46Å; G140-L198 WeakPolarHBondContact CA-O 3.39Å
141	Q	93.8	Very high	93.9	Very high	70 Å²	70	34.7 Å²	34.7	33%	0.327	18%	0.183	S	C	.	.			trans	-63.9	122	-179.7	-62.9	-170	16.6	0	0	111.6	K143 L144 R197 L198 E199 Y234	Q141-K143 VanDerWaalsContact C-N 3.28Å; Q141-K143 PolarHBondContact O-N 2.91Å; Q141-K143 VanDerWaalsContact O-N 3.11Å; Q141-L144 HydrophobicContact CB-CB 4.29Å; Q141-L144 HydrophobicContact CB-CD1 4Å; Q141-L144 HydrophobicContact CB-CG 4.01Å; Q141-L144 HydrophobicContact CG-CD1 4.34Å; Q141-L144 PolarHBondContact O-N 3.25Å; Q141-R197 HydrophobicContact CG-CB 4.35Å; Q141-R197 VanDerWaalsContact CG-O 3.27Å; Q141-R197 WeakPolarHBondContact CG-O 2.92Å; Q141-L198 PolarHBondContact N-O 2.83Å; Q141-E199 HydrophobicContact CG-CG 4.31Å; Q141-E199 PolarHBondContact NE2-OE1 3.48Å; Q141-Y234 PolarHBondContact N-OH 3Å; Q141-Y234 WeakPolarHBondContact O-CE2 3.26Å; Q141-Y234 PolarHBondContact O-OH 2.91Å
142	Q	93.1	Very high	94	Very high	73 Å²	73	33.6 Å²	33.6	34%	0.341	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-43.7	-51.2	-176.6	-58.3	166.1	10.3	0	0	112.9	G132 P135 T137 G140 L144 R197	G132-Q142 WeakPolarHBondContact CA-O 3.36Å; G132-Q142 PolarHBondContact N-O 3.26Å; P135-Q142 WeakPolarHBondContact O-CG 3.43Å; P135-Q142 PolarHBondContact O-NE2 3.02Å; T137-Q142 HydrophobicContact CG2-CG 4.32Å; G140-Q142 PolarHBondContact O-N 2.7Å; Q142-L144 PolarHBondContact O-N 2.88Å; Q142-R197 VanDerWaalsContact CG-NH1 3.25Å
143	K	93.8	Very high	94	Very high	175 Å²	175	31.9 Å²	31.9	76%	0.761	16%	0.158	S	C	*	.	G	3₁₀ helix	trans	-71.4	-15.2	-172.1	-61	179.9	-178.6	177.2	0	114.3	P131 Q141	P131-K143 WeakPolarHBondContact CB-O 3.28Å; Q141-K143 VanDerWaalsContact C-N 3.28Å; Q141-K143 PolarHBondContact O-N 2.91Å; Q141-K143 VanDerWaalsContact O-N 3.11Å
144	L	95.2	Very high	94	Very high	51 Å²	51	29.5 Å²	29.5	27%	0.267	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-102.7	-4.8	-172.8	-58	-172.6	0	0	0	113.5	Q141 Q142 E199 P200 L244	Q141-L144 HydrophobicContact CB-CB 4.29Å; Q141-L144 HydrophobicContact CB-CD1 4Å; Q141-L144 HydrophobicContact CB-CG 4.01Å; Q141-L144 HydrophobicContact CG-CD1 4.34Å; Q141-L144 PolarHBondContact O-N 3.25Å; Q142-L144 PolarHBondContact O-N 2.88Å; L144-E199 HydrophobicContact CD1-CG 4.22Å; L144-P200 HydrophobicContact CB-CG 3.81Å; L144-L244 HydrophobicContact CB-CD1 4.14Å; L144-L244 HydrophobicContact CD1-CD1 4.17Å; L144-L244 HydrophobicContact CD2-CD1 4.13Å; L144-L244 HydrophobicContact CG-CD1 4.38Å
145	G	95.7	Very high	94.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.143	C	C	.	.			trans	-158.9	170	179.6	0	0	0	0	0	114.1	P131 G132 Y234 L235	P131-G145 VanDerWaalsContact CA-O 3.27Å; P131-G145 WeakPolarHBondContact CA-O 3.42Å; G132-G145 PolarHBondContact N-O 3.2Å; G132-G145 VanDerWaalsContact N-O 3.09Å; G145-Y234 PolarHBondContact N-OH 2.98Å; G145-L235 CarbonylContact C-O 3.54Å; G145-L235 WeakPolarHBondContact CA-O 3.23Å
146	L	96.2	Very high	94.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	130.7	-176.6	178.3	79.9	0	0	0	109.8	L129 I130 N133 V148 Y234 L235 L248 V251	L129-L146 HydrophobicContact CB-CD1 3.74Å; L129-L146 HydrophobicContact CB-CD2 3.56Å; L129-L146 HydrophobicContact CB-CG 4.3Å; L129-L146 HydrophobicContact CD1-CD2 4.11Å; L129-L146 HydrophobicContact CD2-CD1 4.41Å; L129-L146 HydrophobicContact CG-CD2 4.38Å; I130-L146 VanDerWaalsContact O-CD1 3.24Å; I130-L146 WeakPolarHBondContact O-CD1 3.49Å; N133-L146 HydrophobicContact CB-CD1 3.89Å; N133-L146 VanDerWaalsContact CG-CD1 3.43Å; N133-L146 WeakPolarHBondContact OD1-CD1 3.27Å; L146-V148 HydrophobicContact CD2-CG1 4.48Å; L146-Y234 CarbonylContact O-C 3.49Å; L146-Y234 WeakPolarHBondContact O-CA 3.42Å; L146-L235 HydrophobicContact CB-CB 4.37Å; L146-L235 HydrophobicContact CD2-CD1 4.32Å; L146-L235 PolarHBondContact N-O 3Å; L146-L235 PolarHBondContact O-N 3.48Å; L146-L248 HydrophobicContact CB-CD1 3.66Å; L146-L248 HydrophobicContact CD2-CD1 4.19Å; L146-V251 HydrophobicContact CD2-CG1 3.82Å
147	S	96.2	Very high	94.5	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.014	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129.8	178.1	-57.3	0	0	0	0	112.2	N133 T137 V233	N133-S147 PolarHBondContact ND2-O 2.83Å; N133-S147 PolarHBondContact OD1-N 2.9Å; T137-S147 WeakPolarHBondContact CB-OG 3.43Å; T137-S147 WeakPolarHBondContact CG2-OG 3.38Å; T137-S147 PolarHBondContact OG1-OG 3.5Å; S147-V233 WeakPolarHBondContact CA-O 3.12Å
148	V	96.7	Very high	94.6	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.018	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	149.5	170	-61.1	0	0	0	0	109.2	L146 V177 Q232 V233 L235	L146-V148 HydrophobicContact CD2-CG1 4.48Å; V148-V177 HydrophobicContact CG1-CB 4.43Å; V148-V177 HydrophobicContact CG1-CG1 4.41Å; V148-V177 HydrophobicContact CG1-CG2 4.34Å; V148-Q232 CarbonylContact O-C 3.43Å; V148-V233 HydrophobicContact CG2-CB 4.18Å; V148-V233 PolarHBondContact N-O 3.03Å; V148-V233 PolarHBondContact O-N 3.22Å; V148-L235 HydrophobicContact CG1-CD1 4.29Å; V148-L235 HydrophobicContact CG2-CD1 3.68Å
149	N	96.2	Very high	94.6	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.011	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	148	177.2	-164.4	-71.4	0	0	0	111	G111 F112 C151 T155 F228 S231	G111-N149 CarbonylContact C-O 3.55Å; G111-N149 VanDerWaalsContact CA-O 3.3Å; G111-N149 WeakPolarHBondContact CA-O 3.14Å; F112-N149 PolarHBondContact N-O 2.86Å; F112-N149 PolarHBondContact O-N 3.01Å; N149-C151 WeakPolarHBondContact OD1-CA 3.33Å; N149-C151 PolarHBondContact OD1-N 3.12Å; N149-C151 PolarHBondContact OD1-O 3.03Å; N149-T155 VanDerWaalsContact CB-OG1 3.24Å; N149-T155 WeakPolarHBondContact CB-OG1 3.46Å; N149-F228 HydrophobicContact CB-CD2 4.36Å; N149-F228 HydrophobicContact CB-CE2 3.78Å; N149-F228 HydrophobicContact CB-CZ 4.36Å; N149-F228 WeakPolarHBondContact ND2-CD2 3.23Å; N149-F228 WeakPolarHBondContact ND2-CE2 3.32Å; N149-F228 PolarHBondContact ND2-O 3.01Å; N149-S231 PolarHBondContact ND2-OG 3.16Å; N149-S231 PolarHBondContact OD1-OG 3.39Å
150	Q	94.6	Very high	94.4	Very high	81 Å²	81	25 Å²	25	38%	0.379	12%	0.117	S	C	.	.	S	Bend	trans	-78.1	-24.7	177	-61	-178.8	34.2	0	0	113.2	S58 S231 V233	S58-Q150 WeakPolarHBondContact CB-O 3.27Å; Q150-S231 WeakPolarHBondContact CG-O 3.34Å; Q150-S231 PolarHBondContact N-O 3.33Å; Q150-V233 HydrophobicContact CG-CG2 3.59Å
151	C	94.7	Very high	94.1	Very high	12 Å²	12	27 Å²	27	8%	0.081	13%	0.131	C	C	.	.			trans	-115	110.1	-170.2	-62.7	0	0	0	0	111.4	S58 N149 D153 L154 T155	S58-C151 WeakPolarHBondContact O-CA 3.43Å; N149-C151 WeakPolarHBondContact OD1-CA 3.33Å; N149-C151 PolarHBondContact OD1-N 3.12Å; N149-C151 PolarHBondContact OD1-O 3.03Å; C151-D153 VanDerWaalsContact C-N 3.33Å; C151-D153 PolarHBondContact O-N 2.93Å; C151-L154 HydrophobicContact CB-CB 4.08Å; C151-L154 HydrophobicContact CB-CD1 3.85Å; C151-L154 HydrophobicContact CB-CG 4.22Å; C151-T155 PolarHBondContact O-N 2.81Å; C151-T155 VanDerWaalsContact O-N 3.17Å; C151-T155 PolarHBondContact O-OG1 2.89Å
152	A	96.1	Very high	93.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.5	-38.2	-179.9	0	0	0	0	0	112.6	I55 S58 F59 F112 T155 I156 L174	I55-A152 HydrophobicContact CG2-CB 4.12Å; S58-A152 VanDerWaalsContact OG-CB 3.31Å; S58-A152 WeakPolarHBondContact OG-CB 3.32Å; F59-A152 HydrophobicContact CD1-CB 4.02Å; F59-A152 HydrophobicContact CE1-CB 3.76Å; F112-A152 HydrophobicContact CD1-CB 3.85Å; F112-A152 HydrophobicContact CD2-CB 3.97Å; F112-A152 HydrophobicContact CE1-CB 4.04Å; F112-A152 HydrophobicContact CE2-CB 4.2Å; F112-A152 HydrophobicContact CG-CB 3.81Å; F112-A152 HydrophobicContact CZ-CB 4.21Å; A152-T155 WeakPolarHBondContact O-CB 3.35Å; A152-T155 PolarHBondContact O-N 3.15Å; A152-I156 HydrophobicContact CB-CD1 4.48Å; A152-I156 WeakPolarHBondContact O-CD1 3.49Å; A152-I156 WeakPolarHBondContact O-CG1 3.44Å; A152-I156 PolarHBondContact O-N 2.88Å; A152-L174 HydrophobicContact CB-CD2 4.47Å
153	D	94.6	Very high	93.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.9	-45.8	-179.2	57.4	-16.8	0	0	0	113.2	F59 R60 F61 C151 T155 A157 W261 L282	F59-D153 HydrophobicContact CB-CB 4.44Å; F59-D153 HydrophobicContact CD1-CB 3.97Å; F59-D153 HydrophobicContact CD2-CB 3.78Å; F59-D153 HydrophobicContact CE1-CB 4.06Å; F59-D153 HydrophobicContact CE2-CB 3.86Å; F59-D153 HydrophobicContact CG-CB 3.82Å; F59-D153 HydrophobicContact CZ-CB 4.01Å; R60-D153 VanDerWaalsContact N-CG 3.28Å; R60-D153 PolarHBondContact N-OD1 3.18Å; R60-D153 PolarHBondContact N-OD2 3.27Å; F61-D153 PolarHBondContact N-OD2 2.75Å; C151-D153 VanDerWaalsContact C-N 3.33Å; C151-D153 PolarHBondContact O-N 2.93Å; D153-T155 VanDerWaalsContact C-N 3.3Å; D153-T155 PolarHBondContact O-N 2.87Å; D153-A157 VanDerWaalsContact O-CB 3.24Å; D153-A157 WeakPolarHBondContact O-CB 3.21Å; D153-A157 PolarHBondContact O-N 2.83Å; D153-W261 HydrophobicContact CB-CH2 4.34Å; D153-L282 HydrophobicContact CB-CD1 3.77Å
154	L	94.1	Very high	92.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.6	-40.3	171.3	-74.7	168.8	0	0	0	112	C151 R158 W211 L224 A227 L282	C151-L154 HydrophobicContact CB-CB 4.08Å; C151-L154 HydrophobicContact CB-CD1 3.85Å; C151-L154 HydrophobicContact CB-CG 4.22Å; L154-R158 WeakPolarHBondContact O-CB 3.4Å; L154-R158 PolarHBondContact O-N 2.85Å; L154-W211 HydrophobicContact CD1-CZ2 4.03Å; L154-L224 HydrophobicContact CD2-CD1 3.69Å; L154-A227 HydrophobicContact CD2-CB 3.9Å; L154-L282 HydrophobicContact CD2-CD2 3.69Å; L154-L282 HydrophobicContact CG-CD2 4.23Å
155	T	95.2	Very high	90.6	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.018	12%	0.117	C	C	.	.	H	α-helix	trans	-63.9	-49.9	-179.8	-52.7	0	0	0	0	112.1	V114 N149 C151 A152 D153 R158 E159 F228	V114-T155 HydrophobicContact CB-CG2 4.2Å; V114-T155 HydrophobicContact CG2-CG2 3.69Å; N149-T155 VanDerWaalsContact CB-OG1 3.24Å; N149-T155 WeakPolarHBondContact CB-OG1 3.46Å; C151-T155 PolarHBondContact O-N 2.81Å; C151-T155 VanDerWaalsContact O-N 3.17Å; C151-T155 PolarHBondContact O-OG1 2.89Å; A152-T155 WeakPolarHBondContact O-CB 3.35Å; A152-T155 PolarHBondContact O-N 3.15Å; D153-T155 VanDerWaalsContact C-N 3.3Å; D153-T155 PolarHBondContact O-N 2.87Å; T155-R158 PolarHBondContact O-N 2.97Å; T155-E159 PolarHBondContact O-N 2.83Å; T155-E159 VanDerWaalsContact O-N 3.16Å; T155-F228 HydrophobicContact CG2-CE2 4.15Å
156	I	94.6	Very high	89	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-68.5	-42.8	-178.3	-54.9	150.3	0	0	0	110	F59 F68 V114 A152 R158 Q160 L172 L174 W261	F59-I156 HydrophobicContact CZ-CD1 4.47Å; F68-I156 HydrophobicContact CD2-CD1 3.59Å; F68-I156 HydrophobicContact CE2-CD1 3.42Å; F68-I156 VanDerWaalsContact CE2-CD1 3.42Å; F68-I156 HydrophobicContact CE2-CG1 4.45Å; F68-I156 HydrophobicContact CZ-CD1 4.28Å; V114-I156 HydrophobicContact CG2-CG1 4.47Å; A152-I156 HydrophobicContact CB-CD1 4.48Å; A152-I156 WeakPolarHBondContact O-CD1 3.49Å; A152-I156 WeakPolarHBondContact O-CG1 3.44Å; A152-I156 PolarHBondContact O-N 2.88Å; I156-R158 PolarHBondContact O-N 3.35Å; I156-Q160 WeakPolarHBondContact O-CB 3.41Å; I156-Q160 PolarHBondContact O-N 2.79Å; I156-L172 HydrophobicContact CG2-CD1 3.84Å; I156-L174 HydrophobicContact CD1-CD2 4.17Å; I156-L174 HydrophobicContact CG1-CD1 4.11Å; I156-L174 HydrophobicContact CG1-CD2 4.48Å; I156-W261 HydrophobicContact CG2-CB 3.98Å
157	A	92.6	Very high	87.5	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.8	-42.3	178.5	0	0	0	0	0	111.7	D153 S161 L224 L282	D153-A157 VanDerWaalsContact O-CB 3.24Å; D153-A157 WeakPolarHBondContact O-CB 3.21Å; D153-A157 PolarHBondContact O-N 2.83Å; A157-S161 VanDerWaalsContact O-CB 3.28Å; A157-S161 WeakPolarHBondContact O-CB 3.41Å; A157-S161 PolarHBondContact O-N 3.05Å; A157-L224 HydrophobicContact CB-CD1 4.21Å; A157-L224 HydrophobicContact CB-CD2 4.1Å; A157-L282 HydrophobicContact CB-CB 4.47Å; A157-L282 HydrophobicContact CB-CD2 3.93Å
158	R	92.7	Very high	85.9	Confident	5 Å²	5	36.3 Å²	36.3	2%	0.019	21%	0.207	C	C	.	.	H	α-helix	trans	-59.9	-58	175.4	175.8	-176.3	-175.8	-129.5	33.3	111.6	D134 D136 L154 T155 I156 Q160 S161 R162 E225 F228	D134-R158 IonicContact OD2-NH1 3.27Å; D136-R158 IonicContact OD2-NH2 3.37Å; D136-R158 PolarHBondContact OD2-NH2 2.88Å; D136-R158 VanDerWaalsContact OD2-NH2 3.16Å; L154-R158 WeakPolarHBondContact O-CB 3.4Å; L154-R158 PolarHBondContact O-N 2.85Å; T155-R158 PolarHBondContact O-N 2.97Å; I156-R158 PolarHBondContact O-N 3.35Å; R158-Q160 VanDerWaalsContact C-N 3.31Å; R158-Q160 PolarHBondContact O-N 2.9Å; R158-S161 WeakPolarHBondContact O-CA 3.5Å; R158-S161 WeakPolarHBondContact O-CB 3.03Å; R158-S161 PolarHBondContact O-N 3.45Å; R158-S161 PolarHBondContact O-OG 2.92Å; R158-R162 WeakPolarHBondContact O-CG 3.46Å; R158-R162 PolarHBondContact O-N 2.88Å; R158-E225 IonicContact CZ-OE1 2.73Å; R158-E225 VanDerWaalsContact NE-CD 3.28Å; R158-E225 IonicContact NE-OE1 2.69Å; R158-E225 PolarHBondContact NE-OE1 3.41Å; R158-E225 IonicContact NE-OE2 2.87Å; R158-E225 PolarHBondContact NE-OE2 3.35Å; R158-E225 VanDerWaalsContact NE-OE2 3.09Å; R158-E225 IonicContact NH2-OE1 3.21Å; R158-E225 PolarHBondContact NH2-OE1 2.89Å; R158-F228 HydrophobicContact CB-CD2 4.31Å; R158-F228 HydrophobicContact CG-CG 4.48Å; R158-F228 VanDerWaalsContact CZ-CD1 3.48Å; R158-F228 VanDerWaalsContact NH1-CE1 3.31Å
159	E	92.4	Very high	84.6	Confident	25 Å²	25	42.9 Å²	42.9	12%	0.117	24%	0.242	C	C	.	.	H	α-helix	trans	-66.9	-34.5	-174.3	-67.1	-48.8	131	0	0	111.9	V114 T155 S161 R162 L163 L172	V114-E159 HydrophobicContact CB-CB 4.3Å; V114-E159 HydrophobicContact CB-CG 3.96Å; V114-E159 HydrophobicContact CG1-CB 3.78Å; V114-E159 HydrophobicContact CG1-CG 3.91Å; T155-E159 PolarHBondContact O-N 2.83Å; T155-E159 VanDerWaalsContact O-N 3.16Å; E159-S161 VanDerWaalsContact C-N 3.35Å; E159-S161 PolarHBondContact O-N 2.81Å; E159-R162 PolarHBondContact O-N 2.85Å; E159-R162 WeakPolarHBondContact OE1-CD 3.45Å; E159-R162 IonicContact OE1-NE 2.7Å; E159-R162 IonicContact OE1-NH1 3.35Å; E159-R162 WeakPolarHBondContact OE2-CD 3.13Å; E159-L163 WeakPolarHBondContact O-CG 3.49Å; E159-L163 PolarHBondContact O-N 2.83Å; E159-L163 VanDerWaalsContact O-N 3.11Å; E159-L172 HydrophobicContact CB-CD1 4.41Å; E159-L172 HydrophobicContact CB-CD2 4.38Å
160	Q	90	Very high	83.9	Confident	23 Å²	23	45.8 Å²	45.8	11%	0.107	26%	0.255	C	S	.	.	H	α-helix	trans	-65.6	-38.5	171.1	-164.7	169.6	-53.1	0	0	111.6	I156 R158 R162 L163 L164 L172 W261 I284	I156-Q160 WeakPolarHBondContact O-CB 3.41Å; I156-Q160 PolarHBondContact O-N 2.79Å; R158-Q160 VanDerWaalsContact C-N 3.31Å; R158-Q160 PolarHBondContact O-N 2.9Å; Q160-R162 VanDerWaalsContact C-N 3.28Å; Q160-R162 PolarHBondContact O-N 3.06Å; Q160-L163 PolarHBondContact O-N 3.46Å; Q160-L164 WeakPolarHBondContact O-CD1 3.26Å; Q160-L172 HydrophobicContact CB-CD1 3.9Å; Q160-W261 PolarHBondContact NE2-O 2.81Å; Q160-W261 VanDerWaalsContact OE1-CB 3.32Å; Q160-W261 PolarHBondContact OE1-O 2.9Å; Q160-I284 HydrophobicContact CB-CD1 3.7Å; Q160-I284 HydrophobicContact CG-CD1 3.77Å
161	S	88.3	Confident	83.7	Confident	41 Å²	41	45.1 Å²	45.1	29%	0.287	25%	0.251	S	S	.	.	H	α-helix	trans	-59.8	-37.5	174.2	83.1	0	0	0	0	112.6	A157 R158 E159 L163 L164	A157-S161 VanDerWaalsContact O-CB 3.28Å; A157-S161 WeakPolarHBondContact O-CB 3.41Å; A157-S161 PolarHBondContact O-N 3.05Å; R158-S161 WeakPolarHBondContact O-CA 3.5Å; R158-S161 WeakPolarHBondContact O-CB 3.03Å; R158-S161 PolarHBondContact O-N 3.45Å; R158-S161 PolarHBondContact O-OG 2.92Å; E159-S161 VanDerWaalsContact C-N 3.35Å; E159-S161 PolarHBondContact O-N 2.81Å; S161-L163 VanDerWaalsContact C-N 3.28Å; S161-L163 PolarHBondContact O-N 3.17Å; S161-L164 VanDerWaalsContact CA-CD1 3.49Å; S161-L164 WeakPolarHBondContact O-CD1 3.15Å
162	R	88	Confident	83.7	Confident	111 Å²	111	44.5 Å²	44.5	42%	0.419	25%	0.247	S	C	.	.	H	α-helix	trans	-69.3	-23.3	174.8	-69.5	172.2	164.3	-137.6	-14.1	112.5	D136 R158 E159 Q160 E225	D136-R162 IonicContact OD2-CZ 2.8Å; D136-R162 VanDerWaalsContact OD2-CZ 3.27Å; D136-R162 IonicContact OD2-NH1 3.74Å; D136-R162 PolarHBondContact OD2-NH1 3.32Å; D136-R162 IonicContact OD2-NH2 2.66Å; D136-R162 PolarHBondContact OD2-NH2 2.94Å; R158-R162 WeakPolarHBondContact O-CG 3.46Å; R158-R162 PolarHBondContact O-N 2.88Å; E159-R162 PolarHBondContact O-N 2.85Å; E159-R162 WeakPolarHBondContact OE1-CD 3.45Å; E159-R162 IonicContact OE1-NE 2.7Å; E159-R162 IonicContact OE1-NH1 3.35Å; E159-R162 WeakPolarHBondContact OE2-CD 3.13Å; Q160-R162 VanDerWaalsContact C-N 3.28Å; Q160-R162 PolarHBondContact O-N 3.06Å; R162-E225 IonicContact CZ-OE1 3.88Å; R162-E225 IonicContact CZ-OE2 2.68Å; R162-E225 IonicContact NE-OE1 3.18Å; R162-E225 IonicContact NE-OE2 3.94Å; R162-E225 PolarHBondContact NE-OE2 2.9Å; R162-E225 IonicContact NH2-OE1 3.55Å; R162-E225 PolarHBondContact NH2-OE1 3.48Å; R162-E225 IonicContact NH2-OE2 2.69Å
163	L	83.8	Confident	83.7	Confident	21 Å²	21	46.3 Å²	46.3	11%	0.11	26%	0.255	C	S	.	.	H	α-helix	trans	-85.8	-13.3	179.2	-73.2	-174	0	0	0	116	E159 Q160 S161 G165 K166 Q170 L172	E159-L163 WeakPolarHBondContact O-CG 3.49Å; E159-L163 PolarHBondContact O-N 2.83Å; E159-L163 VanDerWaalsContact O-N 3.11Å; Q160-L163 PolarHBondContact O-N 3.46Å; S161-L163 VanDerWaalsContact C-N 3.28Å; S161-L163 PolarHBondContact O-N 3.17Å; L163-G165 PolarHBondContact O-N 3.24Å; L163-K166 WeakPolarHBondContact O-CA 3.16Å; L163-K166 PolarHBondContact O-N 2.81Å; L163-Q170 HydrophobicContact CD1-CB 4.43Å; L163-Q170 HydrophobicContact CD1-CG 4.23Å; L163-L172 HydrophobicContact CD1-CD2 3.55Å
164	L	67.9	Low	83.9	Confident	46 Å²	46	46.3 Å²	46.3	24%	0.241	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-3.9	-173.2	-75.9	98.7	0	0	0	116.4	Q160 S161 K166 I284 Q287	Q160-L164 WeakPolarHBondContact O-CD1 3.26Å; S161-L164 VanDerWaalsContact CA-CD1 3.49Å; S161-L164 WeakPolarHBondContact O-CD1 3.15Å; L164-K166 PolarHBondContact O-N 3.36Å; L164-I284 HydrophobicContact CD1-CG2 3.38Å; L164-I284 HydrophobicContact CD2-CG2 3.79Å; L164-I284 HydrophobicContact CG-CG2 4.23Å; L164-Q287 HydrophobicContact CB-CG 4.03Å
165	G	62.2	Low	84.1	Confident	62 Å²	62	46.4 Å²	46.4	64%	0.639	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-1.2	164.3	0	0	0	0	0	114.2	L163	L163-G165 PolarHBondContact O-N 3.24Å
166	K	63	Low	84.2	Confident	148 Å²	148	46.2 Å²	46.2	64%	0.643	25%	0.254	S	S	*	.	S	Bend	trans	-134.8	171.8	-177.4	-62.4	173.8	-174.9	170.4	0	108.9	L163 L164 S168	L163-K166 WeakPolarHBondContact O-CA 3.16Å; L163-K166 PolarHBondContact O-N 2.81Å; L164-K166 PolarHBondContact O-N 3.36Å; K166-S168 PolarHBondContact O-N 3.35Å; K166-S168 VanDerWaalsContact O-N 3.09Å
167	S	63.6	Low	84.4	Confident	88 Å²	88	46.2 Å²	46.2	62%	0.615	25%	0.254	S	S	*	.			trans	-52.8	115.6	-174.9	51	0	0	0	0	112.5	N169 Q170	S167-N169 PolarHBondContact O-N 2.84Å; S167-Q170 WeakPolarHBondContact O-CB 3.45Å; S167-Q170 PolarHBondContact O-N 2.71Å
168	S	63.2	Low	84.6	Confident	92 Å²	92	47.8 Å²	47.8	64%	0.643	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-7.2	-176.2	48.5	0	0	0	0	115.5	K166	K166-S168 PolarHBondContact O-N 3.35Å; K166-S168 VanDerWaalsContact O-N 3.09Å
169	N	68.3	Low	84.8	Confident	141 Å²	141	48.1 Å²	48.1	75%	0.754	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	8.3	173.5	-62.1	-12.2	0	0	0	113.1	S167 F171	S167-N169 PolarHBondContact O-N 2.84Å; N169-F171 PolarHBondContact O-N 3.23Å
170	Q	83	Confident	84.9	Confident	62 Å²	62	47.1 Å²	47.1	29%	0.29	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-71.3	126.4	174.7	-180	169.2	-4.7	0	0	110.5	N116 L163 S167	N116-Q170 PolarHBondContact O-NE2 2.82Å; L163-Q170 HydrophobicContact CD1-CB 4.43Å; L163-Q170 HydrophobicContact CD1-CG 4.23Å; S167-Q170 WeakPolarHBondContact O-CB 3.45Å; S167-Q170 PolarHBondContact O-N 2.71Å
171	F	89.3	Confident	85	Confident	67 Å²	67	50.4 Å²	50.4	29%	0.294	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-72.9	146.5	174.9	-63	-84.5	0	0	0	112.1	E71 N169 K258 H260	E71-F171 WeakPolarHBondContact OE2-CD1 3.35Å; E71-F171 WeakPolarHBondContact OE2-CE1 3.5Å; E71-F171 WeakPolarHBondContact OE2-CZ 3.38Å; N169-F171 PolarHBondContact O-N 3.23Å; F171-K258 HydrophobicContact CB-CG 3.98Å; F171-K258 HydrophobicContact CD1-CG 4.13Å; F171-K258 HydrophobicContact CG-CG 4.12Å; F171-H260 AromaticContact CD1-ND1 3.54Å; F171-H260 AromaticContact CE1-CE1 3.73Å; F171-H260 AromaticContact CE1-ND1 3.32Å; F171-H260 VanDerWaalsContact CE1-ND1 3.32Å; F171-H260 WeakPolarHBondContact CE1-ND1 3.44Å
172	L	94.6	Very high	85	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	142.7	171.2	-66.5	178	0	0	0	109.9	V114 N116 I156 E159 Q160 L163 C259	V114-L172 HydrophobicContact CG1-CB 3.96Å; V114-L172 HydrophobicContact CG1-CD1 4.25Å; V114-L172 HydrophobicContact CG1-CD2 3.79Å; V114-L172 HydrophobicContact CG1-CG 4.22Å; N116-L172 WeakPolarHBondContact OD1-CD2 3.41Å; I156-L172 HydrophobicContact CG2-CD1 3.84Å; E159-L172 HydrophobicContact CB-CD1 4.41Å; E159-L172 HydrophobicContact CB-CD2 4.38Å; Q160-L172 HydrophobicContact CB-CD1 3.9Å; L163-L172 HydrophobicContact CD1-CD2 3.55Å; L172-C259 PolarHBondContact N-O 2.71Å; L172-C259 PolarHBondContact O-N 2.98Å; L172-C259 PolarHBondContact O-SG 3.13Å; L172-C259 VanDerWaalsContact O-SG 3.33Å
173	Y	97.2	Very high	85.2	Confident	38 Å²	38	47.2 Å²	47.2	15%	0.149	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	102.1	172.2	-58.4	-77.4	0	0	0	109.4	V114 V115 W118 V121 I175 L257 K258	V114-Y173 WeakPolarHBondContact CA-O 3.39Å; V115-Y173 PolarHBondContact N-O 2.77Å; V115-Y173 PolarHBondContact O-N 3.32Å; W118-Y173 AromaticContact CE3-CD1 3.9Å; W118-Y173 HydrophobicContact CE3-CD1 3.9Å; W118-Y173 AromaticContact CE3-CE1 3.57Å; W118-Y173 HydrophobicContact CE3-CE1 3.57Å; W118-Y173 HydrophobicContact CZ3-CD1 4.14Å; W118-Y173 HydrophobicContact CZ3-CE1 4Å; V121-Y173 HydrophobicContact CG2-CD1 4.33Å; V121-Y173 HydrophobicContact CG2-CD2 4.32Å; V121-Y173 HydrophobicContact CG2-CG 3.83Å; Y173-I175 PolarHBondContact O-N 3.22Å; Y173-L257 WeakPolarHBondContact CA-O 3.46Å; Y173-K258 HydrophobicContact CD1-CB 4.07Å; Y173-K258 HydrophobicContact CD1-CG 4.33Å; Y173-K258 HydrophobicContact CE1-CB 3.93Å; Y173-K258 HydrophobicContact CE1-CD 4.28Å; Y173-K258 HydrophobicContact CE1-CG 3.79Å
174	L	98	Very high	85.6	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	113.1	175.7	179.4	71.8	0	0	0	109.1	I55 F68 F112 V114 A152 I156 V256 L257	I55-L174 HydrophobicContact CD1-CD2 4.35Å; F68-L174 HydrophobicContact CE2-CD2 4.31Å; F68-L174 HydrophobicContact CZ-CD2 3.94Å; F112-L174 HydrophobicContact CB-CD1 4.05Å; F112-L174 HydrophobicContact CD1-CD1 4.05Å; F112-L174 HydrophobicContact CD1-CD2 4.35Å; F112-L174 HydrophobicContact CD1-CG 4.3Å; F112-L174 HydrophobicContact CG-CD1 4.44Å; V114-L174 HydrophobicContact CG2-CB 4.33Å; V114-L174 HydrophobicContact CG2-CD1 3.64Å; A152-L174 HydrophobicContact CB-CD2 4.47Å; I156-L174 HydrophobicContact CD1-CD2 4.17Å; I156-L174 HydrophobicContact CG1-CD1 4.11Å; I156-L174 HydrophobicContact CG1-CD2 4.48Å; L174-V256 CarbonylContact O-C 3.58Å; L174-V256 WeakPolarHBondContact O-CA 3.31Å; L174-L257 HydrophobicContact CB-CB 4.41Å; L174-L257 HydrophobicContact CD2-CD1 4.47Å; L174-L257 PolarHBondContact N-O 2.81Å; L174-L257 PolarHBondContact O-N 2.58Å
175	I	98.2	Very high	86.9	Confident	1 Å²	1	49 Å²	49	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	120.4	174.5	-55.6	-180	0	0	0	108.3	L113 V115 I124 Y173 V177 P253 A255	L113-I175 PolarHBondContact N-O 2.86Å; L113-I175 VanDerWaalsContact N-O 3.09Å; L113-I175 PolarHBondContact O-N 2.74Å; V115-I175 HydrophobicContact CG1-CD1 4.08Å; V115-I175 HydrophobicContact CG2-CD1 3.93Å; V115-I175 HydrophobicContact CG2-CG1 4.41Å; I124-I175 HydrophobicContact CB-CD1 4.15Å; I124-I175 HydrophobicContact CD1-CD1 3.62Å; I124-I175 HydrophobicContact CG1-CD1 4.49Å; I124-I175 HydrophobicContact CG2-CD1 3.92Å; I124-I175 HydrophobicContact CG2-CG2 4.45Å; Y173-I175 PolarHBondContact O-N 3.22Å; I175-V177 HydrophobicContact CG2-CG2 4.12Å; I175-P253 HydrophobicContact CG2-CB 4.01Å; I175-A255 WeakPolarHBondContact CA-O 3.23Å
176	M	98.2	Very high	88.4	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	120.1	173.9	-168.9	164.8	80.4	0	0	109.4	I51 Q54 I55 T110 F112 Y254 A255	I51-M176 HydrophobicContact CG2-CE 4.33Å; Q54-M176 HydrophobicContact CB-CE 4.15Å; Q54-M176 HydrophobicContact CB-SD 3.78Å; I55-M176 HydrophobicContact CG1-SD 4.07Å; T110-M176 HydrophobicContact CG2-CG 3.37Å; T110-M176 HydrophobicContact CG2-SD 3.86Å; F112-M176 HydrophobicContact CD1-CG 4.35Å; F112-M176 HydrophobicContact CE1-CB 4.25Å; F112-M176 HydrophobicContact CE1-CG 3.71Å; F112-M176 HydrophobicContact CE1-SD 3.96Å; F112-M176 HydrophobicContact CZ-CG 4.33Å; F112-M176 HydrophobicContact CZ-SD 4.39Å; M176-Y254 HydrophobicContact CE-CD1 3.56Å; M176-Y254 HydrophobicContact CE-CE1 3.55Å; M176-Y254 PolarHBondContact O-N 3.22Å; M176-A255 HydrophobicContact CB-CB 4.32Å; M176-A255 HydrophobicContact CE-CB 4.28Å; M176-A255 PolarHBondContact N-O 3.02Å; M176-A255 PolarHBondContact O-N 3.04Å
177	V	98.1	Very high	89.7	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.3	-171.4	-173.9	0	0	0	0	109.6	T110 G111 L129 V148 I175 V251	T110-V177 CarbonylContact C-O 3.57Å; T110-V177 VanDerWaalsContact CA-O 3.28Å; T110-V177 WeakPolarHBondContact CA-O 3.37Å; G111-V177 PolarHBondContact N-O 3.25Å; G111-V177 PolarHBondContact O-N 3.32Å; L129-V177 HydrophobicContact CD1-CB 4.19Å; L129-V177 HydrophobicContact CD1-CG1 3.46Å; L129-V177 VanDerWaalsContact CD1-CG1 3.46Å; L129-V177 HydrophobicContact CD1-CG2 3.59Å; V148-V177 HydrophobicContact CG1-CB 4.43Å; V148-V177 HydrophobicContact CG1-CG1 4.41Å; V148-V177 HydrophobicContact CG1-CG2 4.34Å; I175-V177 HydrophobicContact CG2-CG2 4.12Å; V177-V251 HydrophobicContact CG1-CG1 3.45Å; V177-V251 VanDerWaalsContact CG1-CG1 3.45Å
178	R	97.3	Very high	90.9	Very high	33 Å²	33	43 Å²	43	13%	0.125	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	137	172.2	-70.5	-179.7	175.4	176.8	4.4	109.7	E50 Q54 F85 L108 C109 I252 Y254	E50-R178 IonicContact OE1-CZ 2.76Å; E50-R178 VanDerWaalsContact OE1-CZ 3.32Å; E50-R178 IonicContact OE1-NH1 2.68Å; E50-R178 PolarHBondContact OE1-NH1 3.27Å; E50-R178 IonicContact OE1-NH2 2.98Å; E50-R178 PolarHBondContact OE1-NH2 3.12Å; Q54-R178 VanDerWaalsContact OE1-NH2 3.14Å; F85-R178 HydrophobicContact CZ-CB 4.46Å; L108-R178 HydrophobicContact CD1-CB 4.2Å; C109-R178 WeakPolarHBondContact O-CA 3.37Å; R178-I252 HydrophobicContact CB-CG2 3.87Å; R178-I252 PolarHBondContact N-O 2.72Å; R178-I252 PolarHBondContact O-N 2.72Å; R178-Y254 HydrophobicContact CG-CD1 4.48Å; R178-Y254 HydrophobicContact CG-CG 4.14Å; R178-Y254 VanDerWaalsContact CZ-CE1 3.49Å; R178-Y254 VanDerWaalsContact CZ-CE2 3.48Å; R178-Y254 VanDerWaalsContact NH1-CE2 3.26Å; R178-Y254 PolarHBondContact NH2-OH 3.38Å
179	W	96.7	Very high	91.8	Very high	12 Å²	12	40.5 Å²	40.5	5%	0.045	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	155.2	179.4	65.7	-81.6	0	0	0	112	C109 K181 V233 L235 H250 V251	C109-W179 HydrophobicContact CB-CD2 4Å; C109-W179 VanDerWaalsContact CB-CE2 3.45Å; C109-W179 HydrophobicContact CB-CG 4.36Å; C109-W179 HydrophobicContact CB-CH2 4.49Å; C109-W179 HydrophobicContact CB-CZ2 3.73Å; C109-W179 PolarHBondContact N-O 2.97Å; C109-W179 PolarHBondContact O-N 3.01Å; W179-K181 HydrophobicContact CE3-CB 4.22Å; W179-K181 HydrophobicContact CH2-CB 3.9Å; W179-K181 HydrophobicContact CH2-CD 4.23Å; W179-K181 HydrophobicContact CH2-CG 3.92Å; W179-K181 HydrophobicContact CZ3-CB 3.69Å; W179-K181 HydrophobicContact CZ3-CG 4Å; W179-V233 HydrophobicContact CH2-CG1 3.93Å; W179-V233 HydrophobicContact CZ2-CG1 3.95Å; W179-V233 HydrophobicContact CZ2-CG2 4.25Å; W179-V233 HydrophobicContact CZ3-CG1 4.5Å; W179-L235 HydrophobicContact CB-CD1 4.38Å; W179-L235 HydrophobicContact CB-CD2 4.32Å; W179-L235 HydrophobicContact CD2-CD2 3.71Å; W179-L235 HydrophobicContact CE3-CD2 3.36Å; W179-L235 HydrophobicContact CG-CD1 4.32Å; W179-L235 HydrophobicContact CG-CD2 4.14Å; W179-L235 HydrophobicContact CZ3-CD2 3.85Å; W179-H250 WeakPolarHBondContact CA-O 3.25Å; W179-V251 HydrophobicContact CB-CG1 4.4Å; W179-V251 HydrophobicContact CB-CG2 4.2Å
180	I	95.1	Very high	92.4	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.015	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	110.5	-179	-59.7	155.3	0	0	0	109.2	F85 A88 R89 F92 S182 H250	F85-I180 HydrophobicContact CD2-CD1 4.41Å; F85-I180 HydrophobicContact CE1-CG1 4.37Å; F85-I180 HydrophobicContact CE2-CD1 4.09Å; F85-I180 HydrophobicContact CE2-CG1 3.96Å; F85-I180 HydrophobicContact CZ-CD1 4.13Å; F85-I180 HydrophobicContact CZ-CG1 3.73Å; A88-I180 HydrophobicContact CB-CD1 4.04Å; R89-I180 HydrophobicContact CB-CD1 3.78Å; R89-I180 HydrophobicContact CG-CD1 4.37Å; F92-I180 HydrophobicContact CB-CG2 4.17Å; F92-I180 HydrophobicContact CD2-CG2 4.21Å; F92-I180 HydrophobicContact CG-CG2 4.16Å; I180-S182 PolarHBondContact O-N 3Å; I180-H250 HydrophobicContact CB-CB 4.38Å; I180-H250 HydrophobicContact CD1-CB 4.08Å; I180-H250 PolarHBondContact N-O 2.89Å
181	K	91.1	Very high	92.4	Very high	92 Å²	92	38.1 Å²	38.1	40%	0.4	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	121.4	174.7	-176.3	174.9	178.3	-179.3	0	110.5	S106 S107 C109 W179	S106-K181 WeakPolarHBondContact CA-O 3.47Å; S107-K181 PolarHBondContact N-O 3.48Å; S107-K181 VanDerWaalsContact N-O 3.13Å; S107-K181 PolarHBondContact O-N 3.41Å; C109-K181 HydrophobicContact CB-CB 4.39Å; W179-K181 HydrophobicContact CE3-CB 4.22Å; W179-K181 HydrophobicContact CH2-CB 3.9Å; W179-K181 HydrophobicContact CH2-CD 4.23Å; W179-K181 HydrophobicContact CH2-CG 3.92Å; W179-K181 HydrophobicContact CZ3-CB 3.69Å; W179-K181 HydrophobicContact CZ3-CG 4Å
182	S	88.7	Confident	92	Very high	10 Å²	10	38.3 Å²	38.3	7%	0.07	19%	0.192	C	C	.	.			trans	-121.3	-150.2	173.2	-172.5	0	0	0	0	108.5	I180 A184	I180-S182 PolarHBondContact O-N 3Å; S182-A184 PolarHBondContact O-N 3.31Å
183	R	91.1	Very high	91.3	Very high	75 Å²	75	47.2 Å²	47.2	28%	0.283	23%	0.23	S	C	.	.			trans	-58.1	121.4	169.5	-52.1	-175.4	79.6	-160.7	3.9	109.6	Y204 A205	R183-Y204 HydrophobicContact CB-CD1 3.86Å; R183-Y204 HydrophobicContact CB-CE1 4.37Å; R183-Y204 WeakPolarHBondContact O-CA 3.05Å; R183-A205 PolarHBondContact O-N 2.76Å
184	A	92.9	Very high	90.6	Very high	30 Å²	30	47.8 Å²	47.8	25%	0.248	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	135	174.2	0	0	0	0	0	109.6	S182 Y204 C206 V208	S182-A184 PolarHBondContact O-N 3.31Å; A184-Y204 VanDerWaalsContact C-CD1 3.5Å; A184-C206 WeakPolarHBondContact CA-O 3.44Å; A184-C206 VanDerWaalsContact CB-SG 3.58Å; A184-V208 HydrophobicContact CB-CG1 4.32Å; A184-V208 HydrophobicContact CB-CG2 4.03Å
185	Y	94.7	Very high	89.7	Confident	75 Å²	75	57.3 Å²	57.3	29%	0.294	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	135.4	171.2	-174.7	-95.1	0	0	0	108.8	V187 L198 Q201 Y204 C206 H207 V208	Y185-V187 HydrophobicContact CD1-CG2 3.89Å; Y185-V187 HydrophobicContact CE1-CG2 4.15Å; Y185-L198 HydrophobicContact CE1-CD1 4.16Å; Y185-Q201 HydrophobicContact CD1-CG 4.26Å; Y185-Q201 HydrophobicContact CD2-CB 4.3Å; Y185-Q201 HydrophobicContact CD2-CG 3.96Å; Y185-Q201 HydrophobicContact CE1-CG 4.41Å; Y185-Q201 HydrophobicContact CE2-CG 4.11Å; Y185-Q201 HydrophobicContact CG-CB 4.46Å; Y185-Q201 HydrophobicContact CG-CG 4.04Å; Y185-Y204 HydrophobicContact CD2-CD2 4.31Å; Y185-Y204 HydrophobicContact CD2-CE1 4.37Å; Y185-Y204 AromaticContact CD2-CE2 3.95Å; Y185-Y204 HydrophobicContact CD2-CE2 3.95Å; Y185-Y204 AromaticContact CD2-CZ 3.98Å; Y185-C206 PolarHBondContact N-O 2.96Å; Y185-H207 AromaticContact CD1-CD2 3.9Å; Y185-H207 WeakPolarHBondContact O-CA 3.36Å; Y185-V208 PolarHBondContact O-N 3.1Å
186	I	93.3	Very high	89	Confident	106 Å²	106	63.7 Å²	63.7	54%	0.544	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	117.8	-177.5	-57.8	178.9	0	0	0	108.6	V208 T210	I186-V208 CarbonylContact C-O 3.38Å; I186-V208 WeakPolarHBondContact CA-O 3.12Å; I186-V208 HydrophobicContact CG1-CG2 4.21Å; I186-T210 HydrophobicContact CG2-CG2 3.59Å
187	V	92	Very high	88.5	Confident	4 Å²	4	67.4 Å²	67.4	2%	0.024	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	124.5	176.7	-175.1	0	0	0	0	108.8	W138 L139 Y185 A191 L198 H207 V208 S209	W138-V187 HydrophobicContact CE3-CG1 4.34Å; W138-V187 HydrophobicContact CH2-CG1 4.17Å; W138-V187 HydrophobicContact CZ3-CB 4.42Å; W138-V187 HydrophobicContact CZ3-CG1 3.63Å; L139-V187 HydrophobicContact CD2-CB 3.86Å; L139-V187 HydrophobicContact CD2-CG1 4.32Å; L139-V187 HydrophobicContact CD2-CG2 4.12Å; Y185-V187 HydrophobicContact CD1-CG2 3.89Å; Y185-V187 HydrophobicContact CE1-CG2 4.15Å; V187-A191 HydrophobicContact CG1-CB 3.76Å; V187-L198 HydrophobicContact CB-CD1 4.48Å; V187-L198 HydrophobicContact CG1-CD1 3.86Å; V187-L198 HydrophobicContact CG2-CD1 3.85Å; V187-H207 HydrophobicContact CG2-CB 3.79Å; V187-V208 PolarHBondContact N-O 3.3Å; V187-S209 WeakPolarHBondContact O-CA 3.4Å
188	S	88.3	Confident	88.2	Confident	63 Å²	63	70.1 Å²	70.1	44%	0.441	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-73.6	142.2	178	-38.2	0	0	0	0	110.9	E190 A191	S188-E190 WeakPolarHBondContact CB-OE2 2.99Å; S188-E190 PolarHBondContact O-N 3.08Å; S188-A191 WeakPolarHBondContact O-CB 2.93Å; S188-A191 PolarHBondContact O-N 2.75Å
189	P	82.9	Confident	88	Confident	38 Å²	38	74.1 Å²	74.1	25%	0.247	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-59.5	-21.7	-176.3	-24.5	35.8	0	0	0	114.4	A191 E192 T210 L230	P189-A191 PolarHBondContact O-N 3.08Å; P189-E192 WeakPolarHBondContact O-CB 3.41Å; P189-E192 PolarHBondContact O-N 3.2Å; P189-T210 VanDerWaalsContact CD-OG1 3.29Å; P189-T210 WeakPolarHBondContact CD-OG1 3.4Å; P189-T210 VanDerWaalsContact CG-OG1 3.31Å; P189-T210 WeakPolarHBondContact CG-OG1 3.4Å; P189-L230 HydrophobicContact CB-CD2 4.24Å; P189-L230 HydrophobicContact CG-CD2 4.45Å
190	E	80.8	Confident	88	Confident	129 Å²	129	73.9 Å²	73.9	60%	0.603	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-57.9	-27.9	173.7	-61.9	71.8	-156.8	0	0	112.1	S188 E192 K193	S188-E190 WeakPolarHBondContact CB-OE2 2.99Å; S188-E190 PolarHBondContact O-N 3.08Å; E190-E192 VanDerWaalsContact C-N 3.26Å; E190-E192 PolarHBondContact O-N 2.69Å; E190-K193 WeakPolarHBondContact O-CB 3.31Å; E190-K193 PolarHBondContact O-N 2.88Å; E190-K193 VanDerWaalsContact O-N 3.17Å
191	A	82.5	Confident	88	Confident	24 Å²	24	76.8 Å²	76.8	20%	0.198	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-68.5	-19.2	175.5	0	0	0	0	0	113.5	W138 V187 S188 P189 K193 S194	W138-A191 HydrophobicContact CZ3-CB 4.24Å; V187-A191 HydrophobicContact CG1-CB 3.76Å; S188-A191 WeakPolarHBondContact O-CB 2.93Å; S188-A191 PolarHBondContact O-N 2.75Å; P189-A191 PolarHBondContact O-N 3.08Å; A191-K193 PolarHBondContact O-N 2.78Å; A191-S194 WeakPolarHBondContact O-CB 3.12Å; A191-S194 PolarHBondContact O-N 3.23Å; A191-S194 PolarHBondContact O-OG 3.09Å
192	E	80	Confident	88.1	Confident	72 Å²	72	76.1 Å²	76.1	34%	0.336	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-58.6	-30.4	170.6	-168	-168.9	167.8	0	0	111.4	W138 P189 E190	W138-E192 HydrophobicContact CB-CG 4.42Å; W138-E192 HydrophobicContact CD2-CB 4.19Å; W138-E192 HydrophobicContact CD2-CG 4.39Å; W138-E192 HydrophobicContact CE3-CB 3.85Å; W138-E192 HydrophobicContact CG-CG 4.34Å; W138-E192 HydrophobicContact CZ3-CB 4.29Å; P189-E192 WeakPolarHBondContact O-CB 3.41Å; P189-E192 PolarHBondContact O-N 3.2Å; E190-E192 VanDerWaalsContact C-N 3.26Å; E190-E192 PolarHBondContact O-N 2.69Å
193	K	81.2	Confident	88.1	Confident	186 Å²	186	78.1 Å²	78.1	81%	0.809	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-84.4	-12.4	177.7	-58.7	172.7	-175.8	169.4	0	113	E190 A191	E190-K193 WeakPolarHBondContact O-CB 3.31Å; E190-K193 PolarHBondContact O-N 2.88Å; E190-K193 VanDerWaalsContact O-N 3.17Å; A191-K193 PolarHBondContact O-N 2.78Å
194	S	81	Confident	88.2	Confident	50 Å²	50	78.2 Å²	78.2	35%	0.35	41%	0.406	S	S	.	.			trans	-80.6	139.1	176.3	76.4	0	0	0	0	110.3	A191 D196	A191-S194 WeakPolarHBondContact O-CB 3.12Å; A191-S194 PolarHBondContact O-N 3.23Å; A191-S194 PolarHBondContact O-OG 3.09Å; S194-D196 VanDerWaalsContact C-N 3.31Å
195	K	80.2	Confident	88.3	Confident	200 Å²	200	76.8 Å²	76.8	87%	0.87	39%	0.394	S	S	*	.	S	Bend	trans	-77.1	-24.9	174.7	-67.5	-179.8	-179.2	175.3	0	111.8	R197	K195-R197 PolarHBondContact O-N 3.37Å; K195-R197 VanDerWaalsContact O-N 3.13Å
196	D	82.2	Confident	88.3	Confident	136 Å²	136	73.2 Å²	73.2	73%	0.727	38%	0.38	S	S	*	.	S	Bend	trans	-88	79.3	-172.6	-52.1	-50.4	0	0	0	109.8	S194 L198	S194-D196 VanDerWaalsContact C-N 3.31Å; D196-L198 PolarHBondContact O-N 3.22Å
197	R	87.8	Confident	88.4	Confident	77 Å²	77	68.2 Å²	68.2	29%	0.291	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-57.2	128.3	179.3	-62.3	-168.7	-174.5	-179.1	4.7	110.2	P135 T137 G140 Q141 Q142 K195	P135-R197 PolarHBondContact O-NH1 2.83Å; P135-R197 PolarHBondContact O-NH2 3.02Å; T137-R197 WeakPolarHBondContact O-CD 3.34Å; T137-R197 PolarHBondContact O-NE 2.92Å; T137-R197 PolarHBondContact O-NH1 3.44Å; G140-R197 WeakPolarHBondContact O-CD 3.26Å; Q141-R197 HydrophobicContact CG-CB 4.35Å; Q141-R197 VanDerWaalsContact CG-O 3.27Å; Q141-R197 WeakPolarHBondContact CG-O 2.92Å; Q142-R197 VanDerWaalsContact CG-NH1 3.25Å; K195-R197 PolarHBondContact O-N 3.37Å; K195-R197 VanDerWaalsContact O-N 3.13Å
198	L	92.4	Very high	88.5	Confident	58 Å²	58	69.2 Å²	69.2	30%	0.304	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-57.4	144.7	-174.6	-64.9	175.2	0	0	0	113	G140 Q141 Y185 V187 D196	G140-L198 CarbonylContact C-O 3.46Å; G140-L198 WeakPolarHBondContact CA-O 3.39Å; Q141-L198 PolarHBondContact N-O 2.83Å; Y185-L198 HydrophobicContact CE1-CD1 4.16Å; V187-L198 HydrophobicContact CB-CD1 4.48Å; V187-L198 HydrophobicContact CG1-CD1 3.86Å; V187-L198 HydrophobicContact CG2-CD1 3.85Å; D196-L198 PolarHBondContact O-N 3.22Å
199	E	94	Very high	88.6	Confident	116 Å²	116	66.6 Å²	66.6	54%	0.542	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-81.7	148.9	169.6	-70	-177.7	171.4	0	0	110.8	Q141 L144 Q201 H207	Q141-E199 HydrophobicContact CG-CG 4.31Å; Q141-E199 PolarHBondContact NE2-OE1 3.48Å; L144-E199 HydrophobicContact CD1-CG 4.22Å; E199-Q201 PolarHBondContact O-N 2.62Å; E199-Q201 PolarHBondContact O-NE2 3.44Å; E199-H207 PolarHBondContact O-CE1 2.96Å
200	P	95.9	Very high	88.6	Confident	8 Å²	8	67.6 Å²	67.6	5%	0.052	35%	0.348	C	S	.	.			trans	-44.1	132.5	169.8	-34.7	40.3	0	0	0	113.3	L144 P202 Y234 Y236 F238 L244	L144-P200 HydrophobicContact CB-CG 3.81Å; P200-P202 WeakPolarHBondContact O-CD 3.39Å; P200-Y234 HydrophobicContact CG-CE1 4.22Å; P200-Y236 HydrophobicContact CB-CD1 3.8Å; P200-Y236 HydrophobicContact CB-CD2 3.69Å; P200-Y236 HydrophobicContact CB-CE1 3.98Å; P200-Y236 HydrophobicContact CB-CE2 3.91Å; P200-Y236 HydrophobicContact CB-CG 3.62Å; P200-Y236 HydrophobicContact CG-CD1 3.97Å; P200-Y236 HydrophobicContact CG-CE1 4.46Å; P200-Y236 HydrophobicContact CG-CG 3.98Å; P200-F238 HydrophobicContact CB-CE2 3.92Å; P200-F238 HydrophobicContact CB-CZ 3.76Å; P200-L244 HydrophobicContact CB-CD1 4.2Å; P200-L244 HydrophobicContact CB-CD2 3.75Å; P200-L244 HydrophobicContact CG-CD1 3.87Å; P200-L244 HydrophobicContact CG-CD2 3.91Å
201	Q	95	Very high	88	Confident	64 Å²	64	62.4 Å²	62.4	30%	0.299	32%	0.322	S	S	.	.			trans	-95.8	117.6	-177	-63.9	-60.4	-65.5	0	0	110.7	Y185 E199 G203 Y204 Y236	Y185-Q201 HydrophobicContact CD1-CG 4.26Å; Y185-Q201 HydrophobicContact CD2-CB 4.3Å; Y185-Q201 HydrophobicContact CD2-CG 3.96Å; Y185-Q201 HydrophobicContact CE1-CG 4.41Å; Y185-Q201 HydrophobicContact CE2-CG 4.11Å; Y185-Q201 HydrophobicContact CG-CB 4.46Å; Y185-Q201 HydrophobicContact CG-CG 4.04Å; E199-Q201 PolarHBondContact O-N 2.62Å; E199-Q201 PolarHBondContact O-NE2 3.44Å; Q201-G203 PolarHBondContact O-N 3.47Å; Q201-Y204 HydrophobicContact CB-CD2 3.66Å; Q201-Y204 HydrophobicContact CB-CE2 4.26Å; Q201-Y204 HydrophobicContact CB-CG 4.47Å; Q201-Y204 PolarHBondContact O-N 3.13Å; Q201-Y236 PolarHBondContact N-OH 3.14Å; Q201-Y236 PolarHBondContact O-OH 3.14Å
202	P	92.9	Very high	86.6	Confident	78 Å²	78	65.3 Å²	65.3	51%	0.506	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	138.9	178.3	-27.4	35.6	0	0	0	113	P200 Y204 F238	P200-P202 WeakPolarHBondContact O-CD 3.39Å; P202-Y204 VanDerWaalsContact C-N 3.31Å; P202-F238 HydrophobicContact CB-CE2 4.34Å; P202-F238 HydrophobicContact CB-CZ 4.43Å; P202-F238 HydrophobicContact CG-CE1 4.19Å; P202-F238 HydrophobicContact CG-CE2 4.14Å; P202-F238 HydrophobicContact CG-CZ 3.78Å
203	G	90.1	Very high	85.3	Confident	52 Å²	52	71.1 Å²	71.1	54%	0.536	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	0.8	-177.2	0	0	0	0	0	115.5	Q201	Q201-G203 PolarHBondContact O-N 3.47Å
204	Y	93	Very high	83.8	Confident	76 Å²	76	69.4 Å²	69.4	30%	0.298	36%	0.357	S	S	.	.			trans	-110.6	162.6	166.2	-59.4	-90.4	0	0	0	110.2	R183 A184 Y185 Q201 P202 Y236	R183-Y204 HydrophobicContact CB-CD1 3.86Å; R183-Y204 HydrophobicContact CB-CE1 4.37Å; R183-Y204 WeakPolarHBondContact O-CA 3.05Å; A184-Y204 VanDerWaalsContact C-CD1 3.5Å; Y185-Y204 HydrophobicContact CD2-CD2 4.31Å; Y185-Y204 HydrophobicContact CD2-CE1 4.37Å; Y185-Y204 AromaticContact CD2-CE2 3.95Å; Y185-Y204 HydrophobicContact CD2-CE2 3.95Å; Y185-Y204 AromaticContact CD2-CZ 3.98Å; Q201-Y204 HydrophobicContact CB-CD2 3.66Å; Q201-Y204 HydrophobicContact CB-CE2 4.26Å; Q201-Y204 HydrophobicContact CB-CG 4.47Å; Q201-Y204 PolarHBondContact O-N 3.13Å; P202-Y204 VanDerWaalsContact C-N 3.31Å; Y204-Y236 WeakPolarHBondContact O-CE2 3Å
205	A	93.4	Very high	82.6	Confident	1 Å²	1	71 Å²	71	1%	0.008	36%	0.362	C	S	.	.	S	Bend	trans	-109.7	-16.5	176.4	0	0	0	0	0	113.4	F92 R183 Y236	F92-A205 HydrophobicContact CE1-CB 4.16Å; F92-A205 HydrophobicContact CZ-CB 4.08Å; R183-A205 PolarHBondContact O-N 2.76Å; A205-Y236 PolarHBondContact O-N 3.1Å; A205-Y236 VanDerWaalsContact O-O 3.13Å
206	C	95.8	Very high	81.6	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	160.3	176.3	59.5	0	0	0	0	112.9	A184 Y185 V233 Y234 L235	A184-C206 WeakPolarHBondContact CA-O 3.44Å; A184-C206 VanDerWaalsContact CB-SG 3.58Å; Y185-C206 PolarHBondContact N-O 2.96Å; C206-V233 HydrophobicContact CB-CG1 3.76Å; C206-Y234 CarbonylContact C-O 3.34Å; C206-Y234 WeakPolarHBondContact CA-O 3.26Å; C206-Y234 VanDerWaalsContact CB-O 3.22Å; C206-Y234 WeakPolarHBondContact CB-O 3.48Å; C206-L235 HydrophobicContact CB-CD2 3.94Å; C206-L235 HydrophobicContact CB-CG 4.49Å
207	H	95.8	Very high	81.2	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	140.4	159	-64.8	174.4	0	0	0	109.7	L139 Y185 V187 E199 Y234 Y236	L139-H207 HydrophobicContact CB-CB 4.17Å; L139-H207 PolarHBondContact O-ND1 3.24Å; Y185-H207 AromaticContact CD1-CD2 3.9Å; Y185-H207 WeakPolarHBondContact O-CA 3.36Å; V187-H207 HydrophobicContact CG2-CB 3.79Å; E199-H207 PolarHBondContact O-CE1 2.96Å; H207-Y234 HydrophobicContact CB-CD1 4.05Å; H207-Y234 PolarHBondContact N-O 3.07Å; H207-Y234 AromaticContact ND1-CD1 3.88Å; H207-Y234 PolarHBondContact O-N 3.47Å; H207-Y236 AromaticContact CD2-CE1 3.38Å; H207-Y236 WeakPolarHBondContact CD2-CE1 3.19Å; H207-Y236 AromaticContact CD2-CZ 3.63Å; H207-Y236 PolarHBondContact CD2-OH 3.46Å; H207-Y236 AromaticContact CG-CE1 3.98Å; H207-Y236 AromaticContact NE2-CE1 3.41Å; H207-Y236 WeakPolarHBondContact NE2-CE1 3.29Å; H207-Y236 AromaticContact NE2-CZ 3.51Å; H207-Y236 PolarHBondContact NE2-OH 2.98Å
208	V	93.9	Very high	80.4	Confident	25 Å²	25	57.7 Å²	57.7	15%	0.152	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153.7	169.7	-62.5	0	0	0	0	109.2	A184 Y185 I186 V187 V233	A184-V208 HydrophobicContact CB-CG1 4.32Å; A184-V208 HydrophobicContact CB-CG2 4.03Å; Y185-V208 PolarHBondContact O-N 3.1Å; I186-V208 CarbonylContact C-O 3.38Å; I186-V208 WeakPolarHBondContact CA-O 3.12Å; I186-V208 HydrophobicContact CG1-CG2 4.21Å; V187-V208 PolarHBondContact N-O 3.3Å; V208-V233 HydrophobicContact CG1-CG1 4.04Å; V208-V233 HydrophobicContact CG1-CG2 4.16Å
209	S	90.7	Very high	79.5	Confident	8 Å²	8	58 Å²	58	6%	0.056	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	174.5	170.7	63.6	0	0	0	0	112.2	V187 W211 L230	V187-S209 WeakPolarHBondContact O-CA 3.4Å; S209-W211 PolarHBondContact O-N 3.35Å; S209-W211 WeakPolarHBondContact OG-CB 3.49Å; S209-W211 PolarHBondContact OG-N 3.22Å; S209-L230 WeakPolarHBondContact CB-O 3.43Å; S209-L230 PolarHBondContact OG-O 3.06Å
210	T	82.6	Confident	78.8	Confident	59 Å²	59	57.1 Å²	57.1	36%	0.362	32%	0.317	S	S	.	.	S	Bend	trans	-76.2	-2.4	171	53.7	0	0	0	0	114.8	I186 P189 S212	I186-T210 HydrophobicContact CG2-CG2 3.59Å; P189-T210 VanDerWaalsContact CD-OG1 3.29Å; P189-T210 WeakPolarHBondContact CD-OG1 3.4Å; P189-T210 VanDerWaalsContact CG-OG1 3.31Å; P189-T210 WeakPolarHBondContact CG-OG1 3.4Å; T210-S212 PolarHBondContact O-N 3.41Å; T210-S212 PolarHBondContact O-OG 3.08Å
211	W	68.2	Low	78.2	Confident	20 Å²	20	63.2 Å²	63.2	8%	0.076	34%	0.343	C	S	.	.			trans	-43.5	-11.7	-172	176	-107.5	0	0	0	118.6	L154 S209 R213 L217 A227 L230	L154-W211 HydrophobicContact CD1-CZ2 4.03Å; S209-W211 PolarHBondContact O-N 3.35Å; S209-W211 WeakPolarHBondContact OG-CB 3.49Å; S209-W211 PolarHBondContact OG-N 3.22Å; W211-R213 PolarHBondContact O-N 2.93Å; W211-L217 HydrophobicContact CH2-CD1 4.34Å; W211-L217 HydrophobicContact CH2-CD2 3.3Å; W211-L217 HydrophobicContact CH2-CG 4.46Å; W211-L217 HydrophobicContact CZ2-CD1 4.44Å; W211-L217 HydrophobicContact CZ2-CD2 4.1Å; W211-L217 HydrophobicContact CZ3-CD2 3.64Å; W211-A227 HydrophobicContact CH2-CB 3.94Å; W211-A227 WeakPolarHBondContact CH2-O 3.26Å; W211-A227 WeakPolarHBondContact CZ2-O 3.26Å; W211-L230 WeakPolarHBondContact CB-O 3.36Å; W211-L230 HydrophobicContact CD2-CB 3.89Å; W211-L230 HydrophobicContact CE3-CB 3.26Å; W211-L230 HydrophobicContact CE3-CD1 4.05Å; W211-L230 HydrophobicContact CE3-CG 4.27Å; W211-L230 HydrophobicContact CH2-CB 4.21Å; W211-L230 HydrophobicContact CZ3-CB 3.45Å; W211-L230 VanDerWaalsContact CZ3-CB 3.45Å; W211-L230 HydrophobicContact CZ3-CD1 3.84Å; W211-L230 HydrophobicContact CZ3-CG 4.3Å
212	S	53.3	Low	77.7	Confident	86 Å²	86	61.3 Å²	61.3	60%	0.601	34%	0.335	S	S	*	.	S	Bend	trans	-68.2	12.9	-176.6	63.4	0	0	0	0	117.6	T210	T210-S212 PolarHBondContact O-N 3.41Å; T210-S212 PolarHBondContact O-OG 3.08Å
213	R	52.5	Low	77.5	Confident	194 Å²	194	61.1 Å²	61.1	73%	0.732	33%	0.332	S	S	*	.	S	Bend	trans	-127.4	-89.1	-169.4	-65.5	-168	171.4	-168.8	-7.5	117.3	W211	W211-R213 PolarHBondContact O-N 2.93Å
214	M	48.9	Very low	77.6	Confident	150 Å²	150	60 Å²	60	74%	0.739	31%	0.314	S	S	*	.			trans	-134.7	9.5	-160.4	-68	-157.5	75.1	0	0	117.3	L216	M214-L216 PolarHBondContact O-N 2.76Å
215	D	56.5	Low	77.5	Confident	84 Å²	84	58.8 Å²	58.8	45%	0.449	31%	0.311	S	S	.	.			trans	-68.7	112.6	-178.4	-63.4	-46	0	0	0	112.1	L217 L222	D215-L217 PolarHBondContact O-N 2.77Å; D215-L222 HydrophobicContact CB-CD1 4.24Å
216	L	58.2	Low	77.3	Confident	101 Å²	101	61.7 Å²	61.7	53%	0.529	32%	0.324	S	S	.	.			trans	-57.9	115.5	163.3	-76.8	159.3	0	0	0	107.9	M214 D218	M214-L216 PolarHBondContact O-N 2.76Å; L216-D218 HydrophobicContact CB-CB 4.31Å; L216-D218 PolarHBondContact O-N 3.02Å
217	L	74.2	Confident	77.1	Confident	9 Å²	9	61.7 Å²	61.7	5%	0.047	32%	0.324	C	S	.	.			trans	-77.3	55.5	176.1	-60.4	-174.8	0	0	0	111.1	R60 F61 W211 D215 L222 A227 I281	R60-L217 HydrophobicContact CG-CD1 3.45Å; R60-L217 VanDerWaalsContact CG-CD1 3.45Å; F61-L217 HydrophobicContact CE2-CD1 3.95Å; F61-L217 HydrophobicContact CZ-CB 3.9Å; F61-L217 HydrophobicContact CZ-CD1 3.77Å; F61-L217 HydrophobicContact CZ-CG 4.43Å; W211-L217 HydrophobicContact CH2-CD1 4.34Å; W211-L217 HydrophobicContact CH2-CD2 3.3Å; W211-L217 HydrophobicContact CH2-CG 4.46Å; W211-L217 HydrophobicContact CZ2-CD1 4.44Å; W211-L217 HydrophobicContact CZ2-CD2 4.1Å; W211-L217 HydrophobicContact CZ3-CD2 3.64Å; D215-L217 PolarHBondContact O-N 2.77Å; L217-L222 HydrophobicContact CD2-CD1 3.93Å; L217-A227 HydrophobicContact CD2-CB 4.45Å; L217-I281 HydrophobicContact CB-CD1 4.43Å; L217-I281 HydrophobicContact CB-CG2 4.39Å
218	D	70.5	Confident	77	Confident	22 Å²	22	62.2 Å²	62.2	12%	0.118	33%	0.326	C	S	.	.			trans	-84.1	117.2	-176.9	-179	-12.5	0	0	0	108.9	L216 S220 K221 L222 V276	L216-D218 HydrophobicContact CB-CB 4.31Å; L216-D218 PolarHBondContact O-N 3.02Å; D218-S220 PolarHBondContact O-N 2.79Å; D218-S220 VanDerWaalsContact OD1-CB 3.31Å; D218-S220 WeakPolarHBondContact OD1-CB 3.47Å; D218-S220 PolarHBondContact OD1-N 3.06Å; D218-S220 PolarHBondContact OD1-OG 2.9Å; D218-S220 PolarHBondContact OD2-OG 2.87Å; D218-K221 HydrophobicContact CB-CB 4.35Å; D218-K221 HydrophobicContact CB-CD 4.26Å; D218-K221 HydrophobicContact CB-CG 4.24Å; D218-K221 PolarHBondContact O-N 3.01Å; D218-K221 WeakPolarHBondContact OD2-CE 3.49Å; D218-L222 PolarHBondContact O-N 3.23Å; D218-V276 HydrophobicContact CB-CG1 3.65Å
219	P	75.4	Confident	76.9	Confident	65 Å²	65	61.9 Å²	61.9	42%	0.422	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-10.5	178.2	26.2	-35.6	0	0	0	114	L222 S280	P219-L222 WeakPolarHBondContact CA-O 3.29Å; P219-S280 WeakPolarHBondContact CG-OG 3.2Å
220	S	78.3	Confident	76.9	Confident	97 Å²	97	62 Å²	62	68%	0.678	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-14.8	169.1	74.5	0	0	0	0	114.1	D218	D218-S220 PolarHBondContact O-N 2.79Å; D218-S220 VanDerWaalsContact OD1-CB 3.31Å; D218-S220 WeakPolarHBondContact OD1-CB 3.47Å; D218-S220 PolarHBondContact OD1-N 3.06Å; D218-S220 PolarHBondContact OD1-OG 2.9Å; D218-S220 PolarHBondContact OD2-OG 2.87Å
221	K	82.4	Confident	77.4	Confident	136 Å²	136	59.2 Å²	59.2	59%	0.591	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.4	-36.4	-176.9	-57.9	-179	-172.3	177.3	0	113.5	D218	D218-K221 HydrophobicContact CB-CB 4.35Å; D218-K221 HydrophobicContact CB-CD 4.26Å; D218-K221 HydrophobicContact CB-CG 4.24Å; D218-K221 PolarHBondContact O-N 3.01Å; D218-K221 WeakPolarHBondContact OD2-CE 3.49Å
222	L	85.5	Confident	78.6	Confident	25 Å²	25	58.3 Å²	58.3	13%	0.131	30%	0.303	C	S	.	.			trans	-129.6	122.4	-177	-73.5	171.7	0	0	0	109.9	D215 L217 D218 P219 Q226 L230 I281	D215-L222 HydrophobicContact CB-CD1 4.24Å; L217-L222 HydrophobicContact CD2-CD1 3.93Å; D218-L222 PolarHBondContact O-N 3.23Å; P219-L222 WeakPolarHBondContact CA-O 3.29Å; L222-Q226 HydrophobicContact CD2-CB 4.1Å; L222-L230 HydrophobicContact CD2-CD1 3.98Å; L222-I281 HydrophobicContact CB-CD1 4.46Å; L222-I281 VanDerWaalsContact O-CD1 3.3Å; L222-I281 WeakPolarHBondContact O-CD1 3.47Å
223	T	89.6	Confident	80.7	Confident	73 Å²	73	54.3 Å²	54.3	45%	0.448	27%	0.274	S	S	.	.			trans	-71.5	158.6	169.1	61	0	0	0	0	111.1	E225 Q226 A227	T223-E225 PolarHBondContact O-N 3.05Å; T223-Q226 PolarHBondContact O-N 3.23Å; T223-Q226 WeakPolarHBondContact OG1-CG 3.33Å; T223-Q226 PolarHBondContact OG1-N 3.03Å; T223-Q226 PolarHBondContact OG1-OE1 3.12Å; T223-A227 WeakPolarHBondContact O-CB 3.39Å; T223-A227 PolarHBondContact O-N 2.87Å
224	L	91.1	Very high	82.8	Confident	28 Å²	28	45 Å²	45	15%	0.147	24%	0.24	C	C	.	.	H	α-helix	trans	-54.6	-34.9	173.3	177	59	0	0	0	112.4	L154 A157 F228 I281 L282	L154-L224 HydrophobicContact CD2-CD1 3.69Å; A157-L224 HydrophobicContact CB-CD1 4.21Å; A157-L224 HydrophobicContact CB-CD2 4.1Å; L224-F228 WeakPolarHBondContact O-CB 3.42Å; L224-F228 PolarHBondContact O-N 3.38Å; L224-I281 HydrophobicContact CB-CG1 4.29Å; L224-L282 HydrophobicContact CD1-CD2 4.04Å
225	E	91.3	Very high	85.1	Confident	52 Å²	52	37.9 Å²	37.9	24%	0.243	20%	0.204	C	C	.	.	H	α-helix	trans	-68.4	-45.9	177.9	-166	66.4	-154.3	0	0	111.7	R158 R162 T223 F228 H229	R158-E225 IonicContact CZ-OE1 2.73Å; R158-E225 VanDerWaalsContact NE-CD 3.28Å; R158-E225 IonicContact NE-OE1 2.69Å; R158-E225 PolarHBondContact NE-OE1 3.41Å; R158-E225 IonicContact NE-OE2 2.87Å; R158-E225 PolarHBondContact NE-OE2 3.35Å; R158-E225 VanDerWaalsContact NE-OE2 3.09Å; R158-E225 IonicContact NH2-OE1 3.21Å; R158-E225 PolarHBondContact NH2-OE1 2.89Å; R162-E225 IonicContact CZ-OE1 3.88Å; R162-E225 IonicContact CZ-OE2 2.68Å; R162-E225 IonicContact NE-OE1 3.18Å; R162-E225 IonicContact NE-OE2 3.94Å; R162-E225 PolarHBondContact NE-OE2 2.9Å; R162-E225 IonicContact NH2-OE1 3.55Å; R162-E225 PolarHBondContact NH2-OE1 3.48Å; R162-E225 IonicContact NH2-OE2 2.69Å; T223-E225 PolarHBondContact O-N 3.05Å; E225-F228 WeakPolarHBondContact O-CB 3.22Å; E225-F228 PolarHBondContact O-N 3.24Å; E225-H229 PolarHBondContact O-CD2 3.45Å; E225-H229 PolarHBondContact O-N 2.98Å; E225-H229 IonicContact OE1-CE1 3.76Å; E225-H229 IonicContact OE1-NE2 2.8Å; E225-H229 PolarHBondContact OE1-NE2 3.09Å
226	Q	89.8	Confident	87	Confident	62 Å²	62	34 Å²	34	29%	0.29	18%	0.183	S	C	.	.	H	α-helix	trans	-64.7	-40.9	174.1	-70.5	164.2	-60.8	0	0	112	L222 T223 F228 H229 L230	L222-Q226 HydrophobicContact CD2-CB 4.1Å; T223-Q226 PolarHBondContact O-N 3.23Å; T223-Q226 WeakPolarHBondContact OG1-CG 3.33Å; T223-Q226 PolarHBondContact OG1-N 3.03Å; T223-Q226 PolarHBondContact OG1-OE1 3.12Å; Q226-F228 VanDerWaalsContact C-N 3.3Å; Q226-F228 PolarHBondContact O-N 2.68Å; Q226-H229 PolarHBondContact O-N 2.78Å; Q226-L230 WeakPolarHBondContact O-CB 3.41Å; Q226-L230 WeakPolarHBondContact O-CG 3.45Å; Q226-L230 PolarHBondContact O-N 3.24Å
227	A	90.9	Very high	88.8	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.6	-36.5	176	0	0	0	0	0	112	L154 W211 L217 T223 S231 I281	L154-A227 HydrophobicContact CD2-CB 3.9Å; W211-A227 HydrophobicContact CH2-CB 3.94Å; W211-A227 WeakPolarHBondContact CH2-O 3.26Å; W211-A227 WeakPolarHBondContact CZ2-O 3.26Å; L217-A227 HydrophobicContact CD2-CB 4.45Å; T223-A227 WeakPolarHBondContact O-CB 3.39Å; T223-A227 PolarHBondContact O-N 2.87Å; A227-S231 WeakPolarHBondContact O-CB 3.41Å; A227-S231 PolarHBondContact O-N 2.72Å; A227-S231 PolarHBondContact O-OG 3.05Å; A227-I281 HydrophobicContact CB-CD1 3.6Å
228	F	93.1	Very high	89.7	Confident	10 Å²	10	31 Å²	31	4%	0.044	17%	0.166	C	C	.	.	H	α-helix	trans	-64.7	-49.1	168.9	175.1	-92.1	0	0	0	111.6	N149 T155 R158 L224 E225 Q226 L230 S231 Q232	N149-F228 HydrophobicContact CB-CD2 4.36Å; N149-F228 HydrophobicContact CB-CE2 3.78Å; N149-F228 HydrophobicContact CB-CZ 4.36Å; N149-F228 WeakPolarHBondContact ND2-CD2 3.23Å; N149-F228 WeakPolarHBondContact ND2-CE2 3.32Å; N149-F228 PolarHBondContact ND2-O 3.01Å; T155-F228 HydrophobicContact CG2-CE2 4.15Å; R158-F228 HydrophobicContact CB-CD2 4.31Å; R158-F228 HydrophobicContact CG-CG 4.48Å; R158-F228 VanDerWaalsContact CZ-CD1 3.48Å; R158-F228 VanDerWaalsContact NH1-CE1 3.31Å; L224-F228 WeakPolarHBondContact O-CB 3.42Å; L224-F228 PolarHBondContact O-N 3.38Å; E225-F228 WeakPolarHBondContact O-CB 3.22Å; E225-F228 PolarHBondContact O-N 3.24Å; Q226-F228 VanDerWaalsContact C-N 3.3Å; Q226-F228 PolarHBondContact O-N 2.68Å; F228-L230 PolarHBondContact O-N 2.77Å; F228-S231 WeakPolarHBondContact CA-OG 3.32Å; F228-S231 PolarHBondContact O-N 2.82Å; F228-S231 VanDerWaalsContact O-N 3.1Å; F228-S231 PolarHBondContact O-OG 3.19Å; F228-Q232 HydrophobicContact CD1-CG 4.41Å; F228-Q232 HydrophobicContact CE1-CG 4.1Å; F228-Q232 WeakPolarHBondContact O-CG 3.37Å; F228-Q232 PolarHBondContact O-N 2.93Å
229	H	91.9	Very high	90.8	Very high	19 Å²	19	32 Å²	32	9%	0.088	17%	0.171	C	C	.	.	H	α-helix	trans	-58.3	-46.8	-179.3	-81.3	-46	0	0	0	113.5	D136 W138 E225 Q226 S231 Q232	D136-H229 VanDerWaalsContact CB-CE1 3.49Å; D136-H229 WeakPolarHBondContact CB-CE1 3.49Å; D136-H229 PolarHBondContact O-CE1 3.29Å; W138-H229 AromaticContact CD1-ND1 3.99Å; W138-H229 PolarHBondContact NE1-O 3.33Å; E225-H229 PolarHBondContact O-CD2 3.45Å; E225-H229 PolarHBondContact O-N 2.98Å; E225-H229 IonicContact OE1-CE1 3.76Å; E225-H229 IonicContact OE1-NE2 2.8Å; E225-H229 PolarHBondContact OE1-NE2 3.09Å; Q226-H229 PolarHBondContact O-N 2.78Å; H229-S231 PolarHBondContact O-N 3.08Å; H229-Q232 PolarHBondContact ND1-OE1 3.07Å; H229-Q232 WeakPolarHBondContact O-CB 3.43Å; H229-Q232 WeakPolarHBondContact O-CG 2.94Å; H229-Q232 PolarHBondContact O-N 3.34Å; H229-Q232 PolarHBondContact O-OE1 3.05Å
230	L	90.7	Very high	91.5	Very high	11 Å²	11	37.2 Å²	37.2	6%	0.058	19%	0.19	C	C	.	.	H	α-helix	trans	-69.4	-19.8	179.8	-64	166.3	0	0	0	112.2	W138 P189 S209 W211 L222 Q226 F228	W138-L230 HydrophobicContact CH2-CD2 4.35Å; W138-L230 HydrophobicContact CZ2-CD2 3.82Å; P189-L230 HydrophobicContact CB-CD2 4.24Å; P189-L230 HydrophobicContact CG-CD2 4.45Å; S209-L230 WeakPolarHBondContact CB-O 3.43Å; S209-L230 PolarHBondContact OG-O 3.06Å; W211-L230 WeakPolarHBondContact CB-O 3.36Å; W211-L230 HydrophobicContact CD2-CB 3.89Å; W211-L230 HydrophobicContact CE3-CB 3.26Å; W211-L230 HydrophobicContact CE3-CD1 4.05Å; W211-L230 HydrophobicContact CE3-CG 4.27Å; W211-L230 HydrophobicContact CH2-CB 4.21Å; W211-L230 HydrophobicContact CZ3-CB 3.45Å; W211-L230 VanDerWaalsContact CZ3-CB 3.45Å; W211-L230 HydrophobicContact CZ3-CD1 3.84Å; W211-L230 HydrophobicContact CZ3-CG 4.3Å; L222-L230 HydrophobicContact CD2-CD1 3.98Å; Q226-L230 WeakPolarHBondContact O-CB 3.41Å; Q226-L230 WeakPolarHBondContact O-CG 3.45Å; Q226-L230 PolarHBondContact O-N 3.24Å; F228-L230 PolarHBondContact O-N 2.77Å
231	S	92.7	Very high	92.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	7	173.1	48.9	0	0	0	0	115	N149 Q150 A227 F228 H229	N149-S231 PolarHBondContact ND2-OG 3.16Å; N149-S231 PolarHBondContact OD1-OG 3.39Å; Q150-S231 WeakPolarHBondContact CG-O 3.34Å; Q150-S231 PolarHBondContact N-O 3.33Å; A227-S231 WeakPolarHBondContact O-CB 3.41Å; A227-S231 PolarHBondContact O-N 2.72Å; A227-S231 PolarHBondContact O-OG 3.05Å; F228-S231 WeakPolarHBondContact CA-OG 3.32Å; F228-S231 PolarHBondContact O-N 2.82Å; F228-S231 VanDerWaalsContact O-N 3.1Å; F228-S231 PolarHBondContact O-OG 3.19Å; H229-S231 PolarHBondContact O-N 3.08Å
232	Q	94.7	Very high	92.6	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	156.2	174.8	-67	179.4	-60.5	0	0	113.1	D134 L139 V148 F228 H229	D134-Q232 PolarHBondContact OD2-NE2 3.04Å; L139-Q232 HydrophobicContact CD1-CB 3.8Å; L139-Q232 WeakPolarHBondContact CD1-O 3.43Å; V148-Q232 CarbonylContact O-C 3.43Å; F228-Q232 HydrophobicContact CD1-CG 4.41Å; F228-Q232 HydrophobicContact CE1-CG 4.1Å; F228-Q232 WeakPolarHBondContact O-CG 3.37Å; F228-Q232 PolarHBondContact O-N 2.93Å; H229-Q232 PolarHBondContact ND1-OE1 3.07Å; H229-Q232 WeakPolarHBondContact O-CB 3.43Å; H229-Q232 WeakPolarHBondContact O-CG 2.94Å; H229-Q232 PolarHBondContact O-N 3.34Å; H229-Q232 PolarHBondContact O-OE1 3.05Å
233	V	95.8	Very high	93	Very high	1 Å²	1	44 Å²	44	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.2	163.1	-177	0	0	0	0	106.9	S147 V148 Q150 W179 C206 V208 L235	S147-V233 WeakPolarHBondContact CA-O 3.12Å; V148-V233 HydrophobicContact CG2-CB 4.18Å; V148-V233 PolarHBondContact N-O 3.03Å; V148-V233 PolarHBondContact O-N 3.22Å; Q150-V233 HydrophobicContact CG-CG2 3.59Å; W179-V233 HydrophobicContact CH2-CG1 3.93Å; W179-V233 HydrophobicContact CZ2-CG1 3.95Å; W179-V233 HydrophobicContact CZ2-CG2 4.25Å; W179-V233 HydrophobicContact CZ3-CG1 4.5Å; C206-V233 HydrophobicContact CB-CG1 3.76Å; V208-V233 HydrophobicContact CG1-CG1 4.04Å; V208-V233 HydrophobicContact CG1-CG2 4.16Å; V233-L235 HydrophobicContact CG1-CD2 4.19Å; V233-L235 HydrophobicContact CG1-CG 4.16Å
234	Y	97	Very high	93.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	107.5	179.2	169.2	-92.6	0	0	0	109.1	T137 L139 Q141 G145 L146 P200 C206 H207 Y236	T137-Y234 HydrophobicContact CG2-CD2 4.33Å; L139-Y234 HydrophobicContact CB-CG 4.28Å; Q141-Y234 PolarHBondContact N-OH 3Å; Q141-Y234 WeakPolarHBondContact O-CE2 3.26Å; Q141-Y234 PolarHBondContact O-OH 2.91Å; G145-Y234 PolarHBondContact N-OH 2.98Å; L146-Y234 CarbonylContact O-C 3.49Å; L146-Y234 WeakPolarHBondContact O-CA 3.42Å; P200-Y234 HydrophobicContact CG-CE1 4.22Å; C206-Y234 CarbonylContact C-O 3.34Å; C206-Y234 WeakPolarHBondContact CA-O 3.26Å; C206-Y234 VanDerWaalsContact CB-O 3.22Å; C206-Y234 WeakPolarHBondContact CB-O 3.48Å; H207-Y234 HydrophobicContact CB-CD1 4.05Å; H207-Y234 PolarHBondContact N-O 3.07Å; H207-Y234 AromaticContact ND1-CD1 3.88Å; H207-Y234 PolarHBondContact O-N 3.47Å; Y234-Y236 AromaticContact CD1-CD1 3.72Å; Y234-Y236 HydrophobicContact CD1-CD1 3.72Å; Y234-Y236 AromaticContact CD1-CE1 3.92Å; Y234-Y236 HydrophobicContact CD1-CE1 3.92Å; Y234-Y236 AromaticContact CE1-CD1 3.54Å; Y234-Y236 HydrophobicContact CE1-CD1 3.54Å; Y234-Y236 AromaticContact CE1-CE1 3.92Å; Y234-Y236 HydrophobicContact CE1-CE1 3.92Å
235	L	97.6	Very high	93.3	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	141.7	-171.5	-65.9	155.1	0	0	0	110.9	G145 L146 V148 W179 C206 V233 L248 V251	G145-L235 CarbonylContact C-O 3.54Å; G145-L235 WeakPolarHBondContact CA-O 3.23Å; L146-L235 HydrophobicContact CB-CB 4.37Å; L146-L235 HydrophobicContact CD2-CD1 4.32Å; L146-L235 PolarHBondContact N-O 3Å; L146-L235 PolarHBondContact O-N 3.48Å; V148-L235 HydrophobicContact CG1-CD1 4.29Å; V148-L235 HydrophobicContact CG2-CD1 3.68Å; W179-L235 HydrophobicContact CB-CD1 4.38Å; W179-L235 HydrophobicContact CB-CD2 4.32Å; W179-L235 HydrophobicContact CD2-CD2 3.71Å; W179-L235 HydrophobicContact CE3-CD2 3.36Å; W179-L235 HydrophobicContact CG-CD1 4.32Å; W179-L235 HydrophobicContact CG-CD2 4.14Å; W179-L235 HydrophobicContact CZ3-CD2 3.85Å; C206-L235 HydrophobicContact CB-CD2 3.94Å; C206-L235 HydrophobicContact CB-CG 4.49Å; V233-L235 HydrophobicContact CG1-CD2 4.19Å; V233-L235 HydrophobicContact CG1-CG 4.16Å; L235-L248 HydrophobicContact CB-CD1 3.91Å; L235-V251 HydrophobicContact CB-CG2 4.31Å; L235-V251 HydrophobicContact CD1-CG1 4.36Å; L235-V251 HydrophobicContact CD1-CG2 3.95Å; L235-V251 HydrophobicContact CD2-CG2 4.43Å; L235-V251 HydrophobicContact CG-CG2 4.46Å
236	Y	97.1	Very high	93.3	Very high	1 Å²	1	48 Å²	48	0%	0.004	24%	0.24	C	C	.	.			trans	-155.9	163	174.9	50.6	-102.1	0	0	0	110.7	P200 Q201 Y204 A205 H207 Y234 F238 H250	P200-Y236 HydrophobicContact CB-CD1 3.8Å; P200-Y236 HydrophobicContact CB-CD2 3.69Å; P200-Y236 HydrophobicContact CB-CE1 3.98Å; P200-Y236 HydrophobicContact CB-CE2 3.91Å; P200-Y236 HydrophobicContact CB-CG 3.62Å; P200-Y236 HydrophobicContact CG-CD1 3.97Å; P200-Y236 HydrophobicContact CG-CE1 4.46Å; P200-Y236 HydrophobicContact CG-CG 3.98Å; Q201-Y236 PolarHBondContact N-OH 3.14Å; Q201-Y236 PolarHBondContact O-OH 3.14Å; Y204-Y236 WeakPolarHBondContact O-CE2 3Å; A205-Y236 PolarHBondContact O-N 3.1Å; A205-Y236 VanDerWaalsContact O-O 3.13Å; H207-Y236 AromaticContact CD2-CE1 3.38Å; H207-Y236 WeakPolarHBondContact CD2-CE1 3.19Å; H207-Y236 AromaticContact CD2-CZ 3.63Å; H207-Y236 PolarHBondContact CD2-OH 3.46Å; H207-Y236 AromaticContact CG-CE1 3.98Å; H207-Y236 AromaticContact NE2-CE1 3.41Å; H207-Y236 WeakPolarHBondContact NE2-CE1 3.29Å; H207-Y236 AromaticContact NE2-CZ 3.51Å; H207-Y236 PolarHBondContact NE2-OH 2.98Å; Y234-Y236 AromaticContact CD1-CD1 3.72Å; Y234-Y236 HydrophobicContact CD1-CD1 3.72Å; Y234-Y236 AromaticContact CD1-CE1 3.92Å; Y234-Y236 HydrophobicContact CD1-CE1 3.92Å; Y234-Y236 AromaticContact CE1-CD1 3.54Å; Y234-Y236 HydrophobicContact CE1-CD1 3.54Å; Y234-Y236 AromaticContact CE1-CE1 3.92Å; Y234-Y236 HydrophobicContact CE1-CE1 3.92Å; Y236-F238 HydrophobicContact CD2-CD2 4.28Å; Y236-F238 AromaticContact CD2-CE2 3.95Å; Y236-F238 HydrophobicContact CD2-CE2 3.95Å; Y236-F238 HydrophobicContact CE2-CD2 4.48Å; Y236-F238 AromaticContact CE2-CE2 3.96Å; Y236-F238 HydrophobicContact CE2-CE2 3.96Å; Y236-H250 PolarHBondContact O-CE1 2.97Å
237	E	95.5	Very high	93.5	Very high	7 Å²	7	48.7 Å²	48.7	3%	0.033	24%	0.242	C	C	.	.			trans	-143	126.3	-179.5	-158.6	-179.5	141.8	0	0	110	R91 R245 L248 E249 H250	R91-E237 IonicContact CZ-OE1 3.09Å; R91-E237 IonicContact NH1-OE1 3.91Å; R91-E237 PolarHBondContact NH1-OE1 2.77Å; R91-E237 IonicContact NH2-OE1 3.54Å; R91-E237 PolarHBondContact NH2-OE1 2.87Å; E237-R245 HydrophobicContact CB-CB 4.33Å; E237-R245 WeakPolarHBondContact O-CB 3.36Å; E237-R245 PolarHBondContact O-N 3.09Å; E237-R245 IonicContact OE1-NE 3.49Å; E237-L248 HydrophobicContact CB-CD2 3.78Å; E237-E249 PolarHBondContact OE2-N 2.93Å; E237-H250 IonicContact OE2-CE1 2.71Å; E237-H250 IonicContact OE2-CG 3.32Å; E237-H250 PolarHBondContact OE2-N 3.41Å; E237-H250 VanDerWaalsContact OE2-N 3.08Å; E237-H250 IonicContact OE2-ND1 3.85Å; E237-H250 PolarHBondContact OE2-ND1 2.9Å
238	F	94.1	Very high	93.7	Very high	40 Å²	40	49.1 Å²	49.1	18%	0.175	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-87.1	144.4	166.8	-67.4	-86.8	0	0	0	109.3	P200 P202 Y236 L242 E243 L244	P200-F238 HydrophobicContact CB-CE2 3.92Å; P200-F238 HydrophobicContact CB-CZ 3.76Å; P202-F238 HydrophobicContact CB-CE2 4.34Å; P202-F238 HydrophobicContact CB-CZ 4.43Å; P202-F238 HydrophobicContact CG-CE1 4.19Å; P202-F238 HydrophobicContact CG-CE2 4.14Å; P202-F238 HydrophobicContact CG-CZ 3.78Å; Y236-F238 HydrophobicContact CD2-CD2 4.28Å; Y236-F238 AromaticContact CD2-CE2 3.95Å; Y236-F238 HydrophobicContact CD2-CE2 3.95Å; Y236-F238 HydrophobicContact CE2-CD2 4.48Å; Y236-F238 AromaticContact CE2-CE2 3.96Å; Y236-F238 HydrophobicContact CE2-CE2 3.96Å; F238-L242 WeakPolarHBondContact CD1-O 3.39Å; F238-E243 WeakPolarHBondContact CA-O 3.4Å; F238-L244 HydrophobicContact CD1-CD2 3.94Å; F238-L244 HydrophobicContact CD1-CG 4.09Å; F238-L244 HydrophobicContact CD2-CD2 4.32Å; F238-L244 HydrophobicContact CE1-CD1 4.41Å; F238-L244 HydrophobicContact CE1-CD2 3.67Å; F238-L244 HydrophobicContact CE1-CG 3.71Å; F238-L244 HydrophobicContact CE2-CD2 4.04Å; F238-L244 HydrophobicContact CG-CD2 4.28Å; F238-L244 HydrophobicContact CZ-CD2 3.73Å; F238-L244 HydrophobicContact CZ-CG 4.18Å
239	D	92.4	Very high	93.9	Very high	44 Å²	44	49.9 Å²	49.9	24%	0.235	25%	0.248	C	C	.	.			trans	-84.3	-162.6	168.1	60.8	29.9	0	0	0	112.6	D241 L242 E243 R245	D239-D241 VanDerWaalsContact C-N 3.35Å; D239-D241 PolarHBondContact OD1-N 3.49Å; D239-L242 PolarHBondContact OD1-N 3.08Å; D239-L242 VanDerWaalsContact OD1-N 3.11Å; D239-E243 PolarHBondContact N-O 3.03Å; D239-E243 PolarHBondContact OD1-N 3.09Å; D239-R245 HydrophobicContact CB-CG 4.06Å
240	E	89.5	Confident	94	Very high	174 Å²	174	49 Å²	49	81%	0.813	24%	0.244	S	C	*	.	S	Bend	trans	-79.8	-19	-176.8	-58.1	-170	177.4	0	0	112.5
241	D	92.9	Very high	94.4	Very high	144 Å²	144	48.9 Å²	48.9	77%	0.77	24%	0.244	S	C	*	.	S	Bend	trans	-95	0.7	176.2	-65.8	-61.9	0	0	0	112.4	D239 E243	D239-D241 VanDerWaalsContact C-N 3.35Å; D239-D241 PolarHBondContact OD1-N 3.49Å; D241-E243 VanDerWaalsContact C-N 3.34Å
242	L	91.1	Very high	94.6	Very high	118 Å²	118	49.8 Å²	49.8	62%	0.618	25%	0.248	S	C	*	.	S	Bend	trans	67.6	24.8	-174.5	-53.8	174.5	0	0	0	114.4	F238 D239	F238-L242 WeakPolarHBondContact CD1-O 3.39Å; D239-L242 PolarHBondContact OD1-N 3.08Å; D239-L242 VanDerWaalsContact OD1-N 3.11Å
243	E	93.8	Very high	94.7	Very high	138 Å²	138	49.8 Å²	49.8	65%	0.645	25%	0.248	S	C	*	.	P	Polyproline II helix	trans	-83.4	152.7	166.4	-62.3	-161.7	173.5	0	0	111.3	F238 D239 D241	F238-E243 WeakPolarHBondContact CA-O 3.4Å; D239-E243 PolarHBondContact N-O 3.03Å; D239-E243 PolarHBondContact OD1-N 3.09Å; D241-E243 VanDerWaalsContact C-N 3.34Å
244	L	94.8	Very high	94.8	Very high	57 Å²	57	51.4 Å²	51.4	30%	0.298	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-85.3	116.9	-178.4	-82.8	167.2	0	0	0	111.2	L144 P200 F238 T246	L144-L244 HydrophobicContact CB-CD1 4.14Å; L144-L244 HydrophobicContact CD1-CD1 4.17Å; L144-L244 HydrophobicContact CD2-CD1 4.13Å; L144-L244 HydrophobicContact CG-CD1 4.38Å; P200-L244 HydrophobicContact CB-CD1 4.2Å; P200-L244 HydrophobicContact CB-CD2 3.75Å; P200-L244 HydrophobicContact CG-CD1 3.87Å; P200-L244 HydrophobicContact CG-CD2 3.91Å; F238-L244 HydrophobicContact CD1-CD2 3.94Å; F238-L244 HydrophobicContact CD1-CG 4.09Å; F238-L244 HydrophobicContact CD2-CD2 4.32Å; F238-L244 HydrophobicContact CE1-CD1 4.41Å; F238-L244 HydrophobicContact CE1-CD2 3.67Å; F238-L244 HydrophobicContact CE1-CG 3.71Å; F238-L244 HydrophobicContact CE2-CD2 4.04Å; F238-L244 HydrophobicContact CG-CD2 4.28Å; F238-L244 HydrophobicContact CZ-CD2 3.73Å; F238-L244 HydrophobicContact CZ-CG 4.18Å; L244-T246 PolarHBondContact O-N 2.75Å
245	R	93.8	Very high	94.9	Very high	65 Å²	65	51.4 Å²	51.4	25%	0.245	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-69.2	119.1	-177.3	-69.4	170	158.3	-103.8	-2	111.5	E237 D239 K247 L248 E249	E237-R245 HydrophobicContact CB-CB 4.33Å; E237-R245 WeakPolarHBondContact O-CB 3.36Å; E237-R245 PolarHBondContact O-N 3.09Å; E237-R245 IonicContact OE1-NE 3.49Å; D239-R245 HydrophobicContact CB-CG 4.06Å; R245-K247 PolarHBondContact O-N 2.91Å; R245-L248 WeakPolarHBondContact O-CD2 3.44Å; R245-E249 IonicContact CZ-OE1 2.81Å; R245-E249 VanDerWaalsContact NH1-CD 3.27Å; R245-E249 IonicContact NH1-OE1 3.93Å; R245-E249 PolarHBondContact NH1-OE1 3.26Å; R245-E249 IonicContact NH2-OE1 3.92Å
246	T	91.3	Very high	94.9	Very high	115 Å²	115	51.4 Å²	51.4	71%	0.706	26%	0.255	S	S	*	.	S	Bend	trans	-65.9	-16.3	172.2	54.9	0	0	0	0	113.6	P131 L244	P131-T246 WeakPolarHBondContact CD-O 3.46Å; L244-T246 PolarHBondContact O-N 2.75Å
247	K	93.4	Very high	94.9	Very high	77 Å²	77	51.4 Å²	51.4	34%	0.335	25%	0.254	S	S	.	.	S	Bend	trans	-129.1	111.4	172	-179.7	162	175.9	159.3	0	109.3	D127 R245 E249	D127-K247 VanDerWaalsContact O-CE 3.32Å; D127-K247 WeakPolarHBondContact O-CE 3.28Å; D127-K247 PolarHBondContact O-NZ 3.16Å; R245-K247 PolarHBondContact O-N 2.91Å; K247-E249 PolarHBondContact O-N 2.84Å
248	L	95.3	Very high	95	Very high	9 Å²	9	52.4 Å²	52.4	5%	0.047	26%	0.259	C	S	.	.			trans	-75.6	119.7	-178.9	-50.8	-176.1	0	0	0	108.9	L146 L235 E237 R245 V251	L146-L248 HydrophobicContact CB-CD1 3.66Å; L146-L248 HydrophobicContact CD2-CD1 4.19Å; L235-L248 HydrophobicContact CB-CD1 3.91Å; E237-L248 HydrophobicContact CB-CD2 3.78Å; R245-L248 WeakPolarHBondContact O-CD2 3.44Å; L248-V251 HydrophobicContact CB-CB 4.27Å; L248-V251 HydrophobicContact CB-CG2 3.91Å; L248-V251 HydrophobicContact CD1-CG2 4.03Å
249	E	95.8	Very high	95.1	Very high	26 Å²	26	50.5 Å²	50.5	12%	0.121	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-29.9	177.8	-66.4	-174.1	-164.6	0	0	111	L84 F85 A88 R91 E237 R245 K247 V251	L84-E249 HydrophobicContact CB-CB 4.27Å; L84-E249 HydrophobicContact CB-CG 4.06Å; L84-E249 HydrophobicContact CD2-CG 4Å; L84-E249 HydrophobicContact CG-CG 4.46Å; F85-E249 VanDerWaalsContact CA-O 3.25Å; F85-E249 WeakPolarHBondContact CA-O 3.5Å; A88-E249 HydrophobicContact CB-CB 3.83Å; R91-E249 IonicContact CZ-OE2 2.72Å; R91-E249 IonicContact NE-OE2 2.76Å; R91-E249 VanDerWaalsContact NH2-CD 3.3Å; R91-E249 IonicContact NH2-OE2 3Å; R91-E249 PolarHBondContact NH2-OE2 2.79Å; E237-E249 PolarHBondContact OE2-N 2.93Å; R245-E249 IonicContact CZ-OE1 2.81Å; R245-E249 VanDerWaalsContact NH1-CD 3.27Å; R245-E249 IonicContact NH1-OE1 3.93Å; R245-E249 PolarHBondContact NH1-OE1 3.26Å; R245-E249 IonicContact NH2-OE1 3.92Å; K247-E249 PolarHBondContact O-N 2.84Å; E249-V251 PolarHBondContact O-N 3.23Å; E249-V251 VanDerWaalsContact O-N 3.12Å
250	H	95.6	Very high	95	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	11.7	-178	76.3	-80.1	0	0	0	115.1	F85 A88 F92 W179 I180 Y236 E237	F85-H250 WeakPolarHBondContact CE2-O 3.41Å; A88-H250 HydrophobicContact CB-CB 3.93Å; F92-H250 HydrophobicContact CD2-CB 4.33Å; F92-H250 HydrophobicContact CE2-CB 3.7Å; W179-H250 WeakPolarHBondContact CA-O 3.25Å; I180-H250 HydrophobicContact CB-CB 4.38Å; I180-H250 HydrophobicContact CD1-CB 4.08Å; I180-H250 PolarHBondContact N-O 2.89Å; Y236-H250 PolarHBondContact O-CE1 2.97Å; E237-H250 IonicContact OE2-CE1 2.71Å; E237-H250 IonicContact OE2-CG 3.32Å; E237-H250 PolarHBondContact OE2-N 3.41Å; E237-H250 VanDerWaalsContact OE2-N 3.08Å; E237-H250 IonicContact OE2-ND1 3.85Å; E237-H250 PolarHBondContact OE2-ND1 2.9Å
251	V	97.4	Very high	95.1	Very high	10 Å²	10	42.5 Å²	42.5	6%	0.061	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	134.8	-178.4	-171.7	0	0	0	0	109.3	L129 L146 V177 W179 L235 L248 E249	L129-V251 HydrophobicContact CD1-CG1 4.13Å; L146-V251 HydrophobicContact CD2-CG1 3.82Å; V177-V251 HydrophobicContact CG1-CG1 3.45Å; V177-V251 VanDerWaalsContact CG1-CG1 3.45Å; W179-V251 HydrophobicContact CB-CG1 4.4Å; W179-V251 HydrophobicContact CB-CG2 4.2Å; L235-V251 HydrophobicContact CB-CG2 4.31Å; L235-V251 HydrophobicContact CD1-CG1 4.36Å; L235-V251 HydrophobicContact CD1-CG2 3.95Å; L235-V251 HydrophobicContact CD2-CG2 4.43Å; L235-V251 HydrophobicContact CG-CG2 4.46Å; L248-V251 HydrophobicContact CB-CB 4.27Å; L248-V251 HydrophobicContact CB-CG2 3.91Å; L248-V251 HydrophobicContact CD1-CG2 4.03Å; E249-V251 PolarHBondContact O-N 3.23Å; E249-V251 VanDerWaalsContact O-N 3.12Å
252	I	97.5	Very high	94.9	Very high	19 Å²	19	40.1 Å²	40.1	10%	0.097	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	126.4	178.2	-169.9	168.9	0	0	0	111.4	L81 E82 F85 R178	L81-I252 HydrophobicContact CB-CD1 3.96Å; L81-I252 HydrophobicContact CB-CG1 4.04Å; E82-I252 HydrophobicContact CB-CD1 4.34Å; E82-I252 HydrophobicContact CG-CD1 3.77Å; F85-I252 HydrophobicContact CB-CB 4.28Å; F85-I252 HydrophobicContact CB-CD1 4.23Å; F85-I252 HydrophobicContact CB-CG2 4.45Å; F85-I252 HydrophobicContact CD1-CG2 4.06Å; F85-I252 HydrophobicContact CD2-CB 3.74Å; F85-I252 HydrophobicContact CD2-CG2 3.54Å; F85-I252 HydrophobicContact CE1-CG2 4.13Å; F85-I252 HydrophobicContact CE2-CB 4.23Å; F85-I252 HydrophobicContact CE2-CG2 3.62Å; F85-I252 HydrophobicContact CG-CB 4.04Å; F85-I252 HydrophobicContact CG-CG2 3.76Å; F85-I252 HydrophobicContact CZ-CG2 3.92Å; R178-I252 HydrophobicContact CB-CG2 3.87Å; R178-I252 PolarHBondContact N-O 2.72Å; R178-I252 PolarHBondContact O-N 2.72Å
253	P	97.9	Very high	94.7	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	129.1	167.5	32.6	-33.2	0	0	0	108.4	I76 L81 I124 L129 I175	I76-P253 HydrophobicContact CD1-CB 3.73Å; I76-P253 HydrophobicContact CD1-CG 4.29Å; L81-P253 HydrophobicContact CD1-CG 4.17Å; I124-P253 HydrophobicContact CG2-CB 3.81Å; I124-P253 HydrophobicContact CG2-CG 3.97Å; I124-P253 WeakPolarHBondContact O-CG 3.39Å; L129-P253 HydrophobicContact CD1-CB 4.19Å; L129-P253 HydrophobicContact CG-CB 4.44Å; I175-P253 HydrophobicContact CG2-CB 4.01Å
254	Y	97.4	Very high	94.2	Very high	35 Å²	35	30.1 Å²	30.1	14%	0.137	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	-38	-163.3	163	-93.3	0	0	0	113.6	E50 F75 I76 M176 R178	E50-Y254 PolarHBondContact OE1-OH 2.76Å; E50-Y254 PolarHBondContact OE2-OH 2.93Å; F75-Y254 HydrophobicContact CD1-CE1 4.18Å; F75-Y254 HydrophobicContact CD1-CE2 4.38Å; F75-Y254 AromaticContact CD1-CZ 3.81Å; F75-Y254 HydrophobicContact CE1-CE1 4.05Å; F75-Y254 AromaticContact CE1-CZ 3.67Å; F75-Y254 WeakPolarHBondContact CE1-OH 3.28Å; I76-Y254 PolarHBondContact N-O 3Å; M176-Y254 HydrophobicContact CE-CD1 3.56Å; M176-Y254 HydrophobicContact CE-CE1 3.55Å; M176-Y254 PolarHBondContact O-N 3.22Å; R178-Y254 HydrophobicContact CG-CD1 4.48Å; R178-Y254 HydrophobicContact CG-CG 4.14Å; R178-Y254 VanDerWaalsContact CZ-CE1 3.49Å; R178-Y254 VanDerWaalsContact CZ-CE2 3.48Å; R178-Y254 VanDerWaalsContact NH1-CE2 3.26Å; R178-Y254 PolarHBondContact NH2-OH 3.38Å
255	A	98	Very high	93.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	160.1	176	0	0	0	0	0	111.4	I51 W74 F75 I175 M176	I51-A255 HydrophobicContact CD1-CB 4.35Å; W74-A255 CarbonylContact O-C 3.53Å; W74-A255 VanDerWaalsContact O-CA 3.22Å; W74-A255 WeakPolarHBondContact O-CA 3.46Å; W74-A255 WeakPolarHBondContact O-CB 3.31Å; F75-A255 HydrophobicContact CD1-CB 4.25Å; I175-A255 WeakPolarHBondContact CA-O 3.23Å; M176-A255 HydrophobicContact CB-CB 4.32Å; M176-A255 HydrophobicContact CE-CB 4.28Å; M176-A255 PolarHBondContact N-O 3.02Å; M176-A255 PolarHBondContact O-N 3.04Å
256	V	98.1	Very high	93.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	140.2	179	-169.8	0	0	0	0	109.1	L37 A73 W74 I76 V121 L174	L37-V256 HydrophobicContact CD2-CG2 4.07Å; A73-V256 CarbonylContact C-O 3.55Å; A73-V256 WeakPolarHBondContact CA-O 3.36Å; W74-V256 HydrophobicContact CE3-CB 4.27Å; W74-V256 HydrophobicContact CE3-CG1 4.42Å; W74-V256 PolarHBondContact N-O 3.07Å; W74-V256 PolarHBondContact O-N 3.11Å; I76-V256 HydrophobicContact CD1-CG2 3.75Å; I76-V256 HydrophobicContact CG1-CG2 3.95Å; V121-V256 HydrophobicContact CG1-CB 4.25Å; V121-V256 HydrophobicContact CG1-CG1 3.75Å; V121-V256 HydrophobicContact CG1-CG2 3.66Å; V121-V256 HydrophobicContact CG2-CG1 4.15Å; L174-V256 CarbonylContact O-C 3.58Å; L174-V256 WeakPolarHBondContact O-CA 3.31Å
257	L	97.9	Very high	92.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	124.5	174.9	-59.4	91.9	0	0	0	110.7	Y47 I51 I55 F68 V70 E72 A73 Y173 L174	Y47-L257 HydrophobicContact CE2-CD2 3.91Å; I51-L257 HydrophobicContact CG2-CD1 3.99Å; I51-L257 HydrophobicContact CG2-CD2 3.96Å; I51-L257 HydrophobicContact CG2-CG 4.31Å; I55-L257 HydrophobicContact CD1-CD1 3.65Å; I55-L257 HydrophobicContact CD1-CD2 3.33Å; I55-L257 HydrophobicContact CD1-CG 4.16Å; F68-L257 HydrophobicContact CZ-CD2 4.48Å; V70-L257 HydrophobicContact CG1-CB 4.32Å; V70-L257 HydrophobicContact CG1-CD2 4.01Å; V70-L257 HydrophobicContact CG2-CD2 3.78Å; E72-L257 WeakPolarHBondContact O-CA 3.48Å; A73-L257 HydrophobicContact CB-CG 4.33Å; Y173-L257 WeakPolarHBondContact CA-O 3.46Å; L174-L257 HydrophobicContact CB-CB 4.41Å; L174-L257 HydrophobicContact CD2-CD1 4.47Å; L174-L257 PolarHBondContact N-O 2.81Å; L174-L257 PolarHBondContact O-N 2.58Å
258	K	97.2	Very high	92.4	Very high	29 Å²	29	24.5 Å²	24.5	13%	0.126	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	116.6	169.1	-178.7	-171.2	-175.1	-161.7	0	108	E71 E72 W74 F171 Y173	E71-K258 HydrophobicContact CB-CD 4.36Å; E71-K258 PolarHBondContact N-O 3.15Å; E71-K258 IonicContact OE1-NZ 3.52Å; E71-K258 PolarHBondContact OE1-NZ 3.15Å; E71-K258 VanDerWaalsContact OE2-CD 3.31Å; E71-K258 WeakPolarHBondContact OE2-CD 3.47Å; E71-K258 WeakPolarHBondContact OE2-CE 3.45Å; E71-K258 IonicContact OE2-NZ 3.03Å; E71-K258 PolarHBondContact OE2-NZ 2.62Å; E72-K258 HydrophobicContact CB-CB 4.2Å; E72-K258 HydrophobicContact CB-CD 4.27Å; E72-K258 HydrophobicContact CG-CD 4.25Å; E72-K258 PolarHBondContact O-N 2.98Å; E72-K258 WeakPolarHBondContact OE2-CD 3.46Å; E72-K258 WeakPolarHBondContact OE2-CE 3.32Å; E72-K258 IonicContact OE2-NZ 3.16Å; E72-K258 PolarHBondContact OE2-NZ 3.17Å; W74-K258 HydrophobicContact CH2-CB 3.97Å; W74-K258 HydrophobicContact CH2-CD 4.31Å; W74-K258 HydrophobicContact CZ3-CB 3.79Å; F171-K258 HydrophobicContact CB-CG 3.98Å; F171-K258 HydrophobicContact CD1-CG 4.13Å; F171-K258 HydrophobicContact CG-CG 4.12Å; Y173-K258 HydrophobicContact CD1-CB 4.07Å; Y173-K258 HydrophobicContact CD1-CG 4.33Å; Y173-K258 HydrophobicContact CE1-CB 3.93Å; Y173-K258 HydrophobicContact CE1-CD 4.28Å; Y173-K258 HydrophobicContact CE1-CG 3.79Å
259	C	95.2	Very high	91.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	170.8	-164.7	63.8	0	0	0	0	113.5	F68 N69 V70 L172	F68-C259 HydrophobicContact CD2-CB 4.38Å; F68-C259 HydrophobicContact CE2-CB 3.54Å; F68-C259 HydrophobicContact CZ-CB 4.05Å; N69-C259 CarbonylContact O-C 3.5Å; N69-C259 WeakPolarHBondContact O-CA 3.39Å; N69-C259 VanDerWaalsContact O-CB 3.26Å; N69-C259 WeakPolarHBondContact O-CB 3.26Å; V70-C259 HydrophobicContact CG2-CB 4.45Å; L172-C259 PolarHBondContact N-O 2.71Å; L172-C259 PolarHBondContact O-N 2.98Å; L172-C259 PolarHBondContact O-SG 3.13Å; L172-C259 VanDerWaalsContact O-SG 3.33Å
260	H	91.3	Very high	91.1	Very high	45 Å²	45	34.5 Å²	34.5	21%	0.208	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	156.7	168.8	51.6	-104.4	0	0	0	111.5	N69 F171 K262	N69-H260 PolarHBondContact N-O 2.93Å; N69-H260 VanDerWaalsContact N-O 3.09Å; N69-H260 PolarHBondContact ND2-CE1 2.96Å; N69-H260 PolarHBondContact ND2-NE2 3.44Å; N69-H260 PolarHBondContact O-N 2.82Å; F171-H260 AromaticContact CD1-ND1 3.54Å; F171-H260 AromaticContact CE1-CE1 3.73Å; F171-H260 AromaticContact CE1-ND1 3.32Å; F171-H260 VanDerWaalsContact CE1-ND1 3.32Å; F171-H260 WeakPolarHBondContact CE1-ND1 3.44Å; H260-K262 WeakPolarHBondContact NE2-CE 3.18Å
261	W	90.8	Very high	90.3	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.015	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.4	178.2	-167.6	-120.7	0	0	0	110.4	F59 L64 F68 D153 I156 Q160 L263 L282	F59-W261 HydrophobicContact CE2-CH2 4.19Å; F59-W261 AromaticContact CE2-CZ3 3.84Å; F59-W261 HydrophobicContact CE2-CZ3 3.84Å; F59-W261 HydrophobicContact CZ-CZ3 4.15Å; L64-W261 HydrophobicContact CB-CH2 3.95Å; L64-W261 HydrophobicContact CB-CZ2 4.35Å; F68-W261 HydrophobicContact CB-CE3 4.29Å; F68-W261 HydrophobicContact CB-CZ3 4.04Å; D153-W261 HydrophobicContact CB-CH2 4.34Å; I156-W261 HydrophobicContact CG2-CB 3.98Å; Q160-W261 PolarHBondContact NE2-O 2.81Å; Q160-W261 VanDerWaalsContact OE1-CB 3.32Å; Q160-W261 PolarHBondContact OE1-O 2.9Å; W261-L263 HydrophobicContact CZ2-CB 4.12Å; W261-L263 HydrophobicContact CZ2-CD2 4.08Å; W261-L282 HydrophobicContact CH2-CD1 3.99Å; W261-L282 HydrophobicContact CZ2-CB 3.88Å; W261-L282 HydrophobicContact CZ2-CD1 3.65Å; W261-L282 HydrophobicContact CZ2-CG 4.42Å; W261-L282 PolarHBondContact NE1-O 3.44Å
262	K	88.9	Confident	88.9	Confident	95 Å²	95	44.2 Å²	44.2	41%	0.413	23%	0.234	S	C	.	.			trans	-92.6	-3.4	-177.5	-66.3	-177.1	177.6	167.3	0	114.3	Y67 N69 H260 T264 V267	Y67-K262 HydrophobicContact CD1-CB 4.49Å; Y67-K262 PolarHBondContact O-N 2.93Å; N69-K262 HydrophobicContact CB-CD 4.19Å; N69-K262 VanDerWaalsContact CB-CE 3.5Å; N69-K262 WeakPolarHBondContact ND2-CE 3.37Å; N69-K262 PolarHBondContact ND2-NZ 2.73Å; N69-K262 PolarHBondContact OD1-NZ 2.95Å; H260-K262 WeakPolarHBondContact NE2-CE 3.18Å; K262-T264 PolarHBondContact O-N 3.42Å; K262-V267 WeakPolarHBondContact O-CG2 3.35Å
263	L	86.5	Confident	87.6	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.254	C	S	.	.			trans	-85.1	77.7	-176.6	-169	67.4	0	0	0	111.9	L64 Y67 W261 V267 A268 L271 I274 L282 I283 I284	L64-L263 HydrophobicContact CD1-CD2 3.85Å; L64-L263 HydrophobicContact CD2-CD2 4.16Å; L64-L263 HydrophobicContact CG-CD2 4.49Å; Y67-L263 HydrophobicContact CD1-CB 4.46Å; Y67-L263 HydrophobicContact CD1-CD1 4.2Å; Y67-L263 HydrophobicContact CD2-CB 4.45Å; Y67-L263 HydrophobicContact CD2-CD1 4.1Å; Y67-L263 HydrophobicContact CE1-CD1 4.37Å; Y67-L263 HydrophobicContact CE2-CD1 4.27Å; Y67-L263 HydrophobicContact CG-CB 4Å; Y67-L263 HydrophobicContact CG-CD1 4.11Å; W261-L263 HydrophobicContact CZ2-CB 4.12Å; W261-L263 HydrophobicContact CZ2-CD2 4.08Å; L263-V267 HydrophobicContact CD1-CG1 4.18Å; L263-A268 HydrophobicContact CD1-CB 4.29Å; L263-L271 HydrophobicContact CD1-CD1 4.16Å; L263-I274 HydrophobicContact CD1-CD1 3.78Å; L263-I274 HydrophobicContact CD2-CD1 4.33Å; L263-L282 HydrophobicContact CD2-CB 4.38Å; L263-I283 HydrophobicContact CD2-CG1 4.22Å; L263-I283 HydrophobicContact CG-CG1 4.4Å; L263-I284 PolarHBondContact O-N 3.06Å; L263-I284 VanDerWaalsContact O-N 3.1Å
264	T	84.1	Confident	86.6	Confident	45 Å²	45	49 Å²	49	28%	0.276	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-85.8	166.7	166	68.2	0	0	0	0	110.8	K262 D266 V267 A268	K262-T264 PolarHBondContact O-N 3.42Å; T264-D266 PolarHBondContact O-N 3.42Å; T264-D266 PolarHBondContact OG1-N 3.18Å; T264-V267 PolarHBondContact O-N 2.71Å; T264-A268 PolarHBondContact O-N 3.13Å
265	S	82.8	Confident	85.6	Confident	47 Å²	47	50.1 Å²	50.1	33%	0.329	28%	0.276	S	S	.	.	H	α-helix	trans	-53.3	-34.4	171.4	-162.3	0	0	0	0	113.6	V267 A268 S269 I284	S265-V267 PolarHBondContact O-N 2.93Å; S265-A268 PolarHBondContact O-N 3.33Å; S265-S269 VanDerWaalsContact O-CB 3.29Å; S265-S269 WeakPolarHBondContact O-CB 3.21Å; S265-S269 PolarHBondContact O-N 3.22Å; S265-S269 PolarHBondContact O-OG 2.69Å; S265-I284 PolarHBondContact N-O 2.9Å
266	D	83.4	Confident	84.3	Confident	95 Å²	95	52.7 Å²	52.7	51%	0.508	29%	0.291	S	S	.	.	H	α-helix	trans	-71.9	-15.7	178	-49.5	-49.3	0	0	0	113.7	T264 S269 K270	T264-D266 PolarHBondContact O-N 3.42Å; T264-D266 PolarHBondContact OG1-N 3.18Å; D266-S269 WeakPolarHBondContact CA-OG 3.42Å; D266-K270 WeakPolarHBondContact O-CD 3.16Å; D266-K270 WeakPolarHBondContact O-CE 3.24Å; D266-K270 PolarHBondContact O-NZ 3.37Å
267	V	84.8	Confident	83.1	Confident	44 Å²	44	56.1 Å²	56.1	27%	0.267	32%	0.32	S	S	.	.	H	α-helix	trans	-95.5	-41.7	172.6	176.3	0	0	0	0	109.6	Y67 K262 L263 T264 S265 S269 K270 L271	Y67-V267 HydrophobicContact CD1-CG1 3.89Å; Y67-V267 HydrophobicContact CE1-CG1 3.56Å; K262-V267 WeakPolarHBondContact O-CG2 3.35Å; L263-V267 HydrophobicContact CD1-CG1 4.18Å; T264-V267 PolarHBondContact O-N 2.71Å; S265-V267 PolarHBondContact O-N 2.93Å; V267-S269 PolarHBondContact O-N 3.34Å; V267-K270 PolarHBondContact O-N 2.88Å; V267-K270 VanDerWaalsContact O-N 3.14Å; V267-L271 HydrophobicContact CG1-CD1 4.2Å; V267-L271 WeakPolarHBondContact O-CD1 3.45Å; V267-L271 WeakPolarHBondContact O-CG 3.29Å
268	A	83.9	Confident	82.1	Confident	11 Å²	11	57.2 Å²	57.2	9%	0.091	33%	0.327	C	S	.	.	H	α-helix	trans	-61.8	-39.5	176.1	0	0	0	0	0	113.3	L263 T264 S265 K270 L271 I274 I283	L263-A268 HydrophobicContact CD1-CB 4.29Å; T264-A268 PolarHBondContact O-N 3.13Å; S265-A268 PolarHBondContact O-N 3.33Å; A268-K270 PolarHBondContact O-N 2.89Å; A268-K270 VanDerWaalsContact O-N 3.14Å; A268-L271 WeakPolarHBondContact O-CB 3.28Å; A268-L271 PolarHBondContact O-N 2.98Å; A268-I274 HydrophobicContact CB-CD1 4.23Å; A268-I283 HydrophobicContact CB-CB 4.41Å; A268-I283 HydrophobicContact CB-CD1 3.62Å; A268-I283 HydrophobicContact CB-CG1 3.74Å; A268-I283 HydrophobicContact CB-CG2 3.76Å
269	S	80.8	Confident	81.5	Confident	90 Å²	90	55.9 Å²	55.9	63%	0.629	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-7.4	175.5	51.7	0	0	0	0	114.8	S265 D266 V267	S265-S269 VanDerWaalsContact O-CB 3.29Å; S265-S269 WeakPolarHBondContact O-CB 3.21Å; S265-S269 PolarHBondContact O-N 3.22Å; S265-S269 PolarHBondContact O-OG 2.69Å; D266-S269 WeakPolarHBondContact CA-OG 3.42Å; V267-S269 PolarHBondContact O-N 3.34Å
270	K	82.8	Confident	81.2	Confident	154 Å²	154	56.9 Å²	56.9	67%	0.67	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	11.1	173	-61	175.2	-177.5	121.9	0	112.4	D266 V267 A268	D266-K270 WeakPolarHBondContact O-CD 3.16Å; D266-K270 WeakPolarHBondContact O-CE 3.24Å; D266-K270 PolarHBondContact O-NZ 3.37Å; V267-K270 PolarHBondContact O-N 2.88Å; V267-K270 VanDerWaalsContact O-N 3.14Å; A268-K270 PolarHBondContact O-N 2.89Å; A268-K270 VanDerWaalsContact O-N 3.14Å
271	L	80.6	Confident	81.1	Confident	50 Å²	50	55.1 Å²	55.1	26%	0.262	32%	0.32	S	S	.	.			trans	-126	100	-176	-64.2	165.4	0	0	0	108.6	Y67 L263 V267 A268 T273 I274	Y67-L271 HydrophobicContact CE1-CD1 4.09Å; Y67-L271 HydrophobicContact CE2-CD1 4.27Å; Y67-L271 WeakPolarHBondContact OH-CD1 3.43Å; Y67-L271 WeakPolarHBondContact OH-CD2 3.5Å; L263-L271 HydrophobicContact CD1-CD1 4.16Å; V267-L271 HydrophobicContact CG1-CD1 4.2Å; V267-L271 WeakPolarHBondContact O-CD1 3.45Å; V267-L271 WeakPolarHBondContact O-CG 3.29Å; A268-L271 WeakPolarHBondContact O-CB 3.28Å; A268-L271 PolarHBondContact O-N 2.98Å; L271-T273 PolarHBondContact O-N 3.21Å; L271-I274 HydrophobicContact CB-CD1 4.17Å; L271-I274 HydrophobicContact CB-CG1 4.01Å; L271-I274 HydrophobicContact CD1-CD1 3.69Å; L271-I274 HydrophobicContact CD1-CG1 4.38Å
272	D	67	Low	81.1	Confident	164 Å²	164	54.9 Å²	54.9	88%	0.877	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	12.7	-173.3	-46.3	-45.2	0	0	0	115.3
273	T	69.7	Low	81	Confident	85 Å²	85	52.3 Å²	52.3	52%	0.521	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.5	2.1	-163.9	52.8	0	0	0	0	115.8	L271 S275 S278	L271-T273 PolarHBondContact O-N 3.21Å; T273-S275 VanDerWaalsContact C-N 3.35Å; T273-S275 PolarHBondContact O-N 2.71Å; T273-S278 PolarHBondContact O-OG 2.95Å
274	I	78.1	Confident	80.7	Confident	35 Å²	35	52.5 Å²	52.5	18%	0.179	31%	0.311	C	S	.	.			trans	-79.5	83.3	176.8	-51.4	-171.3	0	0	0	111.6	L64 L263 A268 L271 S278 I283	L64-I274 HydrophobicContact CD2-CD1 4.12Å; L263-I274 HydrophobicContact CD1-CD1 3.78Å; L263-I274 HydrophobicContact CD2-CD1 4.33Å; A268-I274 HydrophobicContact CB-CD1 4.23Å; L271-I274 HydrophobicContact CB-CD1 4.17Å; L271-I274 HydrophobicContact CB-CG1 4.01Å; L271-I274 HydrophobicContact CD1-CD1 3.69Å; L271-I274 HydrophobicContact CD1-CG1 4.38Å; I274-S278 VanDerWaalsContact CA-OG 3.26Å; I274-S278 WeakPolarHBondContact CA-OG 3.33Å; I274-I283 HydrophobicContact CG2-CD1 3.93Å; I274-I283 HydrophobicContact CG2-CG1 4.37Å
275	S	76.8	Confident	80.3	Confident	60 Å²	60	54.5 Å²	54.5	42%	0.42	33%	0.325	S	S	.	.			trans	-84	170.2	168.3	74.6	0	0	0	0	112.8	T273 A277 S278 G279	T273-S275 VanDerWaalsContact C-N 3.35Å; T273-S275 PolarHBondContact O-N 2.71Å; S275-A277 VanDerWaalsContact C-N 3.32Å; S275-A277 PolarHBondContact O-N 2.87Å; S275-S278 PolarHBondContact N-OG 2.87Å; S275-S278 PolarHBondContact O-N 3.31Å; S275-S278 PolarHBondContact O-OG 2.85Å; S275-G279 PolarHBondContact O-N 2.86Å
276	V	69.9	Low	79.3	Confident	53 Å²	53	55.9 Å²	55.9	32%	0.321	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-36.6	-58.4	166.7	163.9	0	0	0	0	112.7	D218 S278 G279 S280	D218-V276 HydrophobicContact CB-CG1 3.65Å; V276-S278 PolarHBondContact O-N 2.89Å; V276-S278 VanDerWaalsContact O-N 3.11Å; V276-G279 PolarHBondContact O-N 3.33Å; V276-S280 WeakPolarHBondContact CA-OG 3.35Å
277	A	72.4	Confident	78.1	Confident	73 Å²	73	56.5 Å²	56.5	60%	0.603	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-69.3	-11.4	-174.5	0	0	0	0	0	114.1	S275	S275-A277 VanDerWaalsContact C-N 3.32Å; S275-A277 PolarHBondContact O-N 2.87Å
278	S	78.4	Confident	76.4	Confident	23 Å²	23	58.6 Å²	58.6	16%	0.161	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-105.4	-2.9	-174.8	75	0	0	0	0	114.7	F61 Q63 L64 T273 I274 S275 V276	F61-S278 VanDerWaalsContact CD1-C 3.42Å; Q63-S278 PolarHBondContact NE2-O 3.33Å; L64-S278 WeakPolarHBondContact CD1-O 3.41Å; T273-S278 PolarHBondContact O-OG 2.95Å; I274-S278 VanDerWaalsContact CA-OG 3.26Å; I274-S278 WeakPolarHBondContact CA-OG 3.33Å; S275-S278 PolarHBondContact N-OG 2.87Å; S275-S278 PolarHBondContact O-N 3.31Å; S275-S278 PolarHBondContact O-OG 2.85Å; V276-S278 PolarHBondContact O-N 2.89Å; V276-S278 VanDerWaalsContact O-N 3.11Å
279	G	84.2	Confident	74.6	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	110.8	30.3	174.2	0	0	0	0	0	115.5	F61 S275 V276 I281 L282	F61-G279 VanDerWaalsContact CD1-CA 3.43Å; F61-G279 VanDerWaalsContact CE1-CA 3.4Å; F61-G279 VanDerWaalsContact CE1-N 3.32Å; S275-G279 PolarHBondContact O-N 2.86Å; V276-G279 PolarHBondContact O-N 3.33Å; G279-I281 PolarHBondContact O-N 2.84Å; G279-I281 VanDerWaalsContact O-N 3.15Å; G279-L282 WeakPolarHBondContact O-CB 3.48Å; G279-L282 PolarHBondContact O-N 2.81Å
280	S	87.5	Confident	73.3	Confident	21 Å²	21	63.8 Å²	63.8	15%	0.147	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-57.4	-25.8	173.3	57.6	0	0	0	0	113.4	P219 V276 L282 I283	P219-S280 WeakPolarHBondContact CG-OG 3.2Å; V276-S280 WeakPolarHBondContact CA-OG 3.35Å; S280-L282 PolarHBondContact O-N 3.4Å; S280-I283 WeakPolarHBondContact O-CB 3.27Å; S280-I283 WeakPolarHBondContact O-CG1 3.43Å; S280-I283 PolarHBondContact O-N 3.06Å; S280-I283 VanDerWaalsContact O-N 3.08Å
281	I	89.3	Confident	71.5	Confident	8 Å²	8	60.7 Å²	60.7	4%	0.041	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-60.1	-21	171.1	-163.2	168.9	0	0	0	114.1	F61 L217 L222 L224 A227 G279	F61-I281 HydrophobicContact CE2-CG2 3.71Å; F61-I281 HydrophobicContact CZ-CG2 3.94Å; L217-I281 HydrophobicContact CB-CD1 4.43Å; L217-I281 HydrophobicContact CB-CG2 4.39Å; L222-I281 HydrophobicContact CB-CD1 4.46Å; L222-I281 VanDerWaalsContact O-CD1 3.3Å; L222-I281 WeakPolarHBondContact O-CD1 3.47Å; L224-I281 HydrophobicContact CB-CG1 4.29Å; A227-I281 HydrophobicContact CB-CD1 3.6Å; G279-I281 PolarHBondContact O-N 2.84Å; G279-I281 VanDerWaalsContact O-N 3.15Å
282	L	90.5	Very high	69.6	Low	0 Å²	0	63 Å²	63	0%	0	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-91.4	-2.1	175.6	-57.3	-170.3	0	0	0	113.9	F61 L64 D153 L154 A157 L224 W261 L263 G279 S280 I284	F61-L282 HydrophobicContact CB-CD1 4.35Å; F61-L282 HydrophobicContact CD2-CD1 3.71Å; F61-L282 HydrophobicContact CD2-CG 3.94Å; F61-L282 HydrophobicContact CE2-CD1 4.49Å; F61-L282 HydrophobicContact CE2-CG 4.25Å; F61-L282 HydrophobicContact CG-CD1 4.44Å; L64-L282 HydrophobicContact CD1-CB 4.41Å; L64-L282 HydrophobicContact CD1-CD1 4.03Å; D153-L282 HydrophobicContact CB-CD1 3.77Å; L154-L282 HydrophobicContact CD2-CD2 3.69Å; L154-L282 HydrophobicContact CG-CD2 4.23Å; A157-L282 HydrophobicContact CB-CB 4.47Å; A157-L282 HydrophobicContact CB-CD2 3.93Å; L224-L282 HydrophobicContact CD1-CD2 4.04Å; W261-L282 HydrophobicContact CH2-CD1 3.99Å; W261-L282 HydrophobicContact CZ2-CB 3.88Å; W261-L282 HydrophobicContact CZ2-CD1 3.65Å; W261-L282 HydrophobicContact CZ2-CG 4.42Å; W261-L282 PolarHBondContact NE1-O 3.44Å; L263-L282 HydrophobicContact CD2-CB 4.38Å; G279-L282 WeakPolarHBondContact O-CB 3.48Å; G279-L282 PolarHBondContact O-N 2.81Å; S280-L282 PolarHBondContact O-N 3.4Å; L282-I284 PolarHBondContact O-N 2.94Å
283	I	87.6	Confident	68.4	Low	41 Å²	41	61 Å²	61	21%	0.21	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-72	117.9	175.9	-59.1	166.8	0	0	0	107.8	L263 A268 I274 S280 P285	L263-I283 HydrophobicContact CD2-CG1 4.22Å; L263-I283 HydrophobicContact CG-CG1 4.4Å; A268-I283 HydrophobicContact CB-CB 4.41Å; A268-I283 HydrophobicContact CB-CD1 3.62Å; A268-I283 HydrophobicContact CB-CG1 3.74Å; A268-I283 HydrophobicContact CB-CG2 3.76Å; I274-I283 HydrophobicContact CG2-CD1 3.93Å; I274-I283 HydrophobicContact CG2-CG1 4.37Å; S280-I283 WeakPolarHBondContact O-CB 3.27Å; S280-I283 WeakPolarHBondContact O-CG1 3.43Å; S280-I283 PolarHBondContact O-N 3.06Å; S280-I283 VanDerWaalsContact O-N 3.08Å; I283-P285 VanDerWaalsContact O-CD 3.27Å; I283-P285 WeakPolarHBondContact O-CD 3.39Å
284	I	81.1	Confident	67.1	Low	3 Å²	3	63.7 Å²	63.7	2%	0.015	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-77.1	116.7	173.8	-65.2	-177.5	0	0	0	108.7	Q160 L164 L263 S265 L282	Q160-I284 HydrophobicContact CB-CD1 3.7Å; Q160-I284 HydrophobicContact CG-CD1 3.77Å; L164-I284 HydrophobicContact CD1-CG2 3.38Å; L164-I284 HydrophobicContact CD2-CG2 3.79Å; L164-I284 HydrophobicContact CG-CG2 4.23Å; L263-I284 PolarHBondContact O-N 3.06Å; L263-I284 VanDerWaalsContact O-N 3.1Å; S265-I284 PolarHBondContact N-O 2.9Å; L282-I284 PolarHBondContact O-N 2.94Å
285	P	74.6	Confident	65.1	Low	88 Å²	88	67 Å²	67	57%	0.571	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-71	140.6	173.4	30.6	-33.9	0	0	0	109.7	I283	I283-P285 VanDerWaalsContact O-CD 3.27Å; I283-P285 WeakPolarHBondContact O-CD 3.39Å
286	P	63	Low	63.4	Low	75 Å²	75	72.1 Å²	72.1	49%	0.487	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-61.2	141.1	167.2	28	-34.4	0	0	0	109
287	Q	57.2	Low	61.8	Low	108 Å²	108	75.1 Å²	75.1	51%	0.505	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-62.5	133.6	170.1	-77.3	-160.5	9.2	0	0	109.2	L164 D289	L164-Q287 HydrophobicContact CB-CG 4.03Å; Q287-D289 PolarHBondContact O-N 3.48Å
288	P	48.5	Very low	59.8	Low	89 Å²	89	83.4 Å²	83.4	58%	0.578	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-65.8	123.6	171.1	28.2	-33	0	0	0	108.4	I290 L293	P288-I290 WeakPolarHBondContact O-CG1 3.43Å; P288-I290 PolarHBondContact O-N 2.87Å; P288-L293 HydrophobicContact CB-CD1 4.03Å; P288-L293 HydrophobicContact CG-CD1 4.49Å
289	D	46.5	Very low	57.6	Low	120 Å²	120	89.1 Å²	89.1	64%	0.642	50%	0.502	S	S	*	.			trans	-61.6	103.1	-174.3	-139.7	-37.7	0	0	0	110.2	Q287 S291 C292	Q287-D289 PolarHBondContact O-N 3.48Å; D289-S291 VanDerWaalsContact CG-OG 3.22Å; D289-S291 PolarHBondContact O-N 2.98Å; D289-S291 PolarHBondContact OD1-OG 3.24Å; D289-C292 PolarHBondContact O-N 3.46Å
290	I	53	Low	55.1	Low	89 Å²	89	93.3 Å²	93.3	46%	0.456	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-17	-170.5	-56.3	-178.7	0	0	0	111	P288 C292 L293	P288-I290 WeakPolarHBondContact O-CG1 3.43Å; P288-I290 PolarHBondContact O-N 2.87Å; I290-C292 PolarHBondContact O-N 2.97Å; I290-L293 PolarHBondContact O-N 3.24Å
291	S	46.2	Very low	52.5	Low	89 Å²	89	100.2 Å²	100.2	62%	0.622	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	-31.5	167.5	56	0	0	0	0	114	D289	D289-S291 VanDerWaalsContact CG-OG 3.22Å; D289-S291 PolarHBondContact O-N 2.98Å; D289-S291 PolarHBondContact OD1-OG 3.24Å
292	C	39.4	Very low	50	Low	98 Å²	98	107.5 Å²	107.5	66%	0.662	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	-17.4	-178.6	-72.5	0	0	0	0	115.1	D289 I290	D289-C292 PolarHBondContact O-N 3.46Å; I290-C292 PolarHBondContact O-N 2.97Å
293	L	42.2	Very low	47.4	Very low	122 Å²	122	113.1 Å²	113.1	64%	0.639	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-90.1	0.5	-171.2	-69.2	178.8	0	0	0	115.5	P288 I290 S295	P288-L293 HydrophobicContact CB-CD1 4.03Å; P288-L293 HydrophobicContact CG-CD1 4.49Å; I290-L293 PolarHBondContact O-N 3.24Å; L293-S295 VanDerWaalsContact C-N 3.31Å; L293-S295 PolarHBondContact O-N 3.48Å
294	L	42.4	Very low	45.1	Very low	143 Å²	143	117 Å²	117	75%	0.749	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-85.9	10.4	177	-77.9	168.4	0	0	0	114.5
295	S	37.1	Very low	42.8	Very low	105 Å²	105	122.8 Å²	122.8	73%	0.734	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-135.4	26.2	-172.6	-149.5	0	0	0	0	116.4	L293	L293-S295 VanDerWaalsContact C-N 3.31Å; L293-S295 PolarHBondContact O-N 3.48Å
296	L	40.1	Very low	40.9	Very low	166 Å²	166	127.2 Å²	127.2	87%	0.869	72%	0.723	S	S	*	*			trans	-131.9	101.4	161.7	-85.8	102.5	0	0	0	111.6
297	S	35.7	Very low	39.8	Very low	117 Å²	117	131.3 Å²	131.3	82%	0.818	74%	0.739	S	S	*	*			trans	-74.3	143.4	169.4	42.6	0	0	0	0	111.3	T299	S297-T299 PolarHBondContact O-N 2.95Å
298	R	31	Very low	38.7	Very low	246 Å²	246	131.7 Å²	131.7	93%	0.928	75%	0.751	S	S	*	*			trans	-52.4	120.8	-176.2	-69.9	174	165.7	-173.2	-5.9	113.8
299	T	32.4	Very low	38.2	Very low	143 Å²	143	132.4 Å²	132.4	88%	0.877	74%	0.742	S	S	*	*			trans	-177	152.7	139.5	14.4	0	0	0	0	108.6	S297	S297-T299 PolarHBondContact O-N 2.95Å
300	A	32.8	Very low	37.9	Very low	88 Å²	88	133.9 Å²	133.9	73%	0.727	75%	0.748	S	S	*	*			cis	-139.1	169.5	1.7	0	0	0	0	0	111.6
301	L	31.9	Very low	37	Very low	167 Å²	167	135 Å²	135	87%	0.874	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-65.6	151.8	165.3	-67.7	160.4	0	0	0	110.3
302	L	37.5	Very low	36.6	Very low	161 Å²	161	139.9 Å²	139.9	84%	0.843	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-66.8	127.1	174.5	-78.3	165.4	0	0	0	110.4
303	P	36	Very low	36.6	Very low	117 Å²	117	144.7 Å²	144.7	76%	0.76	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-82	134.6	178.7	31.8	-33.4	0	0	0	112
304	T	39.3	Very low	36.2	Very low	122 Å²	122	144 Å²	144	75%	0.748	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-61.1	134.9	171.2	-37.5	0	0	0	0	110.6	Q306	T304-Q306 PolarHBondContact O-N 3.31Å
305	P	31.5	Very low	35.8	Very low	125 Å²	125	141.9 Å²	141.9	81%	0.812	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-70.6	128.9	-179.8	28.1	-34.5	0	0	0	111.5
306	Q	34.5	Very low	35.7	Very low	182 Å²	182	148.8 Å²	148.8	85%	0.85	78%	0.783	S	S	*	*			trans	-129.2	152.6	170.6	-73.1	-163.2	-5.7	0	0	112.4	T304	T304-Q306 PolarHBondContact O-N 3.31Å
307	I	41.6	Very low	35.4	Very low	161 Å²	161	143.7 Å²	143.7	83%	0.826	77%	0.772	S	S	*	*			trans	-96.6	128.4	-160.4	-60.6	163.7	0	0	0	110.7
308	P	32.5	Very low	35.6	Very low	115 Å²	115	147.3 Å²	147.3	75%	0.747	78%	0.775	S	S	*	*			trans	-89.8	129.7	-178.6	33.2	-33.1	0	0	0	113.4
309	R	39.5	Very low	35.7	Very low	104 Å²	104	141 Å²	141	39%	0.392	77%	0.769	S	S	.	*			trans	-129.2	97.2	163.8	-91	-174.2	171.4	156.4	-3.3	112.9	G861 Y864	R309-G861 PolarHBondContact NH1-O 2.82Å; R309-Y864 PolarHBondContact O-OH 3.17Å
310	I	38.9	Very low	35.8	Very low	152 Å²	152	138.1 Å²	138.1	78%	0.779	76%	0.755	S	S	*	*			trans	48.8	133.2	130.6	-60	174.1	0	0	0	119.5
311	Q	34.3	Very low	36	Very low	113 Å²	113	141.5 Å²	141.5	53%	0.528	76%	0.755	S	S	.	*			trans	-87	162.5	177.4	-49.1	160.3	-20.3	0	0	112.8
312	K	37.9	Very low	36	Very low	191 Å²	191	142.4 Å²	142.4	83%	0.83	75%	0.752	S	S	*	*				-175.5	158.1	118.9	-108.1	162.3	-174.7	170.5	0	116.5
313	K	38.7	Very low	36.3	Very low	199 Å²	199	140.2 Å²	140.2	87%	0.865	75%	0.747	S	S	*	*			trans	70.4	154.5	168.7	-63.9	159.9	-176.5	175.8	0	113.3
314	S	34.9	Very low	36.1	Very low	106 Å²	106	140.6 Å²	140.6	74%	0.741	75%	0.747	S	S	*	*			cis	156.6	140.8	-6.1	-173.9	0	0	0	0	103.2
315	S	34.8	Very low	35.7	Very low	99 Å²	99	142.1 Å²	142.1	69%	0.692	75%	0.748	S	S	*	*			cis	-175.6	174.7	-1.9	49.3	0	0	0	0	110.4
316	R	33.2	Very low	35.9	Very low	250 Å²	250	142.8 Å²	142.8	94%	0.943	74%	0.744	S	S	*	*			trans	84.3	136.9	144.9	-159.3	178.5	-170	164.4	1.5	119.6
317	G	35.3	Very low	35.7	Very low	60 Å²	60	139.6 Å²	139.6	62%	0.619	73%	0.733	S	S	*	*			trans	125.1	96.3	175.1	0	0	0	0	0	111.6
318	Q	38.3	Very low	35.3	Very low	192 Å²	192	139.6 Å²	139.6	90%	0.897	73%	0.727	S	S	*	*				57.6	135.3	84.4	-66	-178.3	-13.6	0	0	113.5
319	S	33.6	Very low	35.2	Very low	114 Å²	114	140.4 Å²	140.4	80%	0.797	73%	0.725	S	S	*	*			cis	-168.2	-179.3	-12.9	70	0	0	0	0	107.7
320	S	34.6	Very low	34.9	Very low	83 Å²	83	142.1 Å²	142.1	58%	0.58	74%	0.742	S	S	*	*			cis	-161	178.2	5.5	65.3	0	0	0	0	111.1
321	H	37	Very low	34.6	Very low	158 Å²	158	145.5 Å²	145.5	73%	0.731	75%	0.745	S	S	*	*			trans	47.8	143.5	150.7	-58.7	-43	0	0	0	124
322	K	33.1	Very low	34.8	Very low	186 Å²	186	145 Å²	145	81%	0.809	75%	0.752	S	S	*	*			cis	-165.5	160.8	-32.5	-122	-170.4	178.4	-175.6	0	109.6
323	P	42.2	Very low	34.5	Very low	115 Å²	115	144.9 Å²	144.9	75%	0.747	75%	0.751	S	S	*	*			trans	-116.8	-173.9	-172	44	-34.5	0	0	0	114.6
324	V	33.3	Very low	33.9	Very low	125 Å²	125	140.7 Å²	140.7	76%	0.758	75%	0.747	S	S	*	*			trans	-162.1	128.6	153.5	136.3	0	0	0	0	106.7
325	M	30.1	Very low	33.6	Very low	155 Å²	155	143.8 Å²	143.8	76%	0.764	75%	0.747	S	S	*	*				70.1	143.7	67.1	-76.4	175.3	63.7	0	0	113.7
326	L	35	Very low	33.2	Very low	138 Å²	138	146.1 Å²	146.1	72%	0.723	75%	0.75	S	S	*	*			cis	-116.4	-128.4	31.1	-99.8	174.3	0	0	0	116.7	F328	L326-F328 HydrophobicContact CD2-CE2 4.46Å
327	N	30.8	Very low	32.8	Very low	116 Å²	116	137.1 Å²	137.1	62%	0.62	73%	0.729	S	S	*	*			trans	-169.2	-172.7	-154.6	-173.6	65.5	0	0	0	111.5
328	F	32.8	Very low	32.4	Very low	160 Å²	160	142.3 Å²	142.3	70%	0.702	74%	0.737	S	S	*	*			trans	86.2	145.4	163.1	-54.8	-74.4	0	0	0	118.5	L326	L326-F328 HydrophobicContact CD2-CE2 4.46Å
329	D	30.8	Very low	31.8	Very low	132 Å²	132	137.9 Å²	137.9	71%	0.706	73%	0.727	S	S	*	*			cis	-164.7	176.1	-35.2	-137.3	-37.3	0	0	0	112.5
330	D	33.5	Very low	31.4	Very low	140 Å²	140	139.1 Å²	139.1	75%	0.749	73%	0.725	S	S	*	*			trans	83.2	163.8	148.7	-118.4	-37.2	0	0	0	124
331	R	31.9	Very low	31	Very low	223 Å²	223	141.5 Å²	141.5	84%	0.842	74%	0.736	S	S	*	*			trans	-102.2	-175.3	-171	-75.1	174	160.4	-174.1	-3.7	110.3
332	P	39.3	Very low	30.5	Very low	104 Å²	104	138 Å²	138	68%	0.675	73%	0.729	S	S	*	*			cis	-153	169.3	19.7	45.9	-24.5	0	0	0	121.5
333	K	30.8	Very low	30.3	Very low	188 Å²	188	136.6 Å²	136.6	82%	0.817	73%	0.725	S	S	*	*			trans	53.8	126.7	137.5	-73.3	170.7	-178.2	173.2	0	122.2
334	S	27.4	Very low	29.6	Very low	110 Å²	110	135.1 Å²	135.1	77%	0.769	72%	0.717	S	S	*	*			trans	77.5	163.9	132.5	87	0	0	0	0	117.2
335	K	28.6	Very low	29.6	Very low	172 Å²	172	135.9 Å²	135.9	75%	0.748	71%	0.71	S	S	*	*			cis	-163.3	158.9	-6.8	-137.8	179.7	171.2	-171.7	0	108.2
336	I	26.2	Very low	30	Very low	147 Å²	147	133.4 Å²	133.4	75%	0.754	70%	0.7	S	S	*	*			trans	67	152.6	154.6	-71.3	162.5	0	0	0	115.7
337	A	25.4	Very low	29.8	Very low	61 Å²	61	134 Å²	134	50%	0.504	69%	0.693	S	S	.	*			cis	-172.4	179.5	-37	0	0	0	0	0	107.5
338	H	26	Very low	30	Very low	169 Å²	169	138.4 Å²	138.4	78%	0.782	70%	0.702	S	S	*	*			trans	59	110.5	155.8	-57.7	-53	0	0	0	117.1
339	S	25.1	Very low	30.1	Very low	99 Å²	99	138.8 Å²	138.8	69%	0.692	70%	0.699	S	S	*	*				82.3	157.5	97.8	88.9	0	0	0	0	112.7
340	N	24.8	Very low	30.3	Very low	140 Å²	140	141.4 Å²	141.4	75%	0.749	70%	0.7	S	S	*	*			cis	-169.4	170.5	-7.1	-119.2	-0.7	0	0	0	105.1
341	V	26.3	Very low	30.4	Very low	133 Å²	133	142.3 Å²	142.3	81%	0.806	70%	0.697	S	S	*	*			trans	68.8	144	153.5	153.2	0	0	0	0	115.1
342	S	27.2	Very low	30.6	Very low	86 Å²	86	135.8 Å²	135.8	60%	0.601	69%	0.691	S	S	*	*			cis	-172.2	163.5	-12.2	55.7	0	0	0	0	111.4
343	E	28.1	Very low	30.4	Very low	155 Å²	155	135.8 Å²	135.8	72%	0.724	69%	0.689	S	S	*	*			trans	67.4	164	152.2	-78.1	-163.7	-163.3	0	0	116.6	K345	E343-K345 IonicContact OE2-NZ 3.73Å; E343-K345 PolarHBondContact OE2-NZ 3.32Å
344	C	28.8	Very low	30.5	Very low	84 Å²	84	130.7 Å²	130.7	57%	0.568	68%	0.682	S	S	*	*			cis	-156.1	131.8	21.2	-147.3	0	0	0	0	113.9
345	K	33.2	Very low	30.8	Very low	142 Å²	142	132.3 Å²	132.3	62%	0.617	68%	0.681	S	S	*	*			trans	60.2	155.1	140.1	-68.3	177.6	-169.7	90.6	0	119.1	E343	E343-K345 IonicContact OE2-NZ 3.73Å; E343-K345 PolarHBondContact OE2-NZ 3.32Å
346	D	37.4	Very low	30.9	Very low	103 Å²	103	131.2 Å²	131.2	55%	0.551	68%	0.683	S	S	*	*			cis	-154.5	149.2	8.7	-119.5	-18	0	0	0	114.7
347	R	31.6	Very low	31.3	Very low	151 Å²	151	129.6 Å²	129.6	57%	0.57	68%	0.682	S	S	*	*			trans	40.2	149.1	142.8	-65.4	166	-130.6	177.9	20.7	121.6
348	Y	35	Very low	31.5	Very low	207 Å²	207	131.9 Å²	131.9	81%	0.812	69%	0.694	S	S	*	*			cis	-130.8	134.6	24.5	-66.3	-110.3	0	0	0	110.3
349	R	33.7	Very low	32.1	Very low	169 Å²	169	128.9 Å²	128.9	64%	0.638	69%	0.69	S	S	*	*				55.1	134.7	70.7	-65.4	-165.9	176.9	-166.7	1	113.9
350	Y	36	Very low	32.3	Very low	186 Å²	186	130.3 Å²	130.3	73%	0.729	69%	0.694	S	S	*	*			cis	-147.2	170.4	20.3	-74.6	-83.9	0	0	0	110.2
351	K	36.1	Very low	32.5	Very low	160 Å²	160	128 Å²	128	70%	0.696	69%	0.689	S	S	*	*			cis	-173.2	149.2	-24.1	-180	-95	179.7	-162.4	0	109	T353	K351-T353 PolarHBondContact NZ-OG1 2.8Å
352	A	35	Very low	32.9	Very low	85 Å²	85	129.1 Å²	129.1	70%	0.702	69%	0.69	S	S	*	*			trans	-127.6	177.8	179.6	0	0	0	0	0	114.2
353	T	36	Very low	32.9	Very low	105 Å²	105	128.8 Å²	128.8	64%	0.644	69%	0.687	S	S	*	*			trans	-155.1	115.9	166.5	-27.8	0	0	0	0	106.6	K351	K351-T353 PolarHBondContact NZ-OG1 2.8Å
354	A	32.3	Very low	33.1	Very low	81 Å²	81	127.5 Å²	127.5	67%	0.669	69%	0.686	S	S	*	*				70.5	144.7	63.7	0	0	0	0	0	112.7
355	L	33.1	Very low	33.1	Very low	144 Å²	144	130.6 Å²	130.6	75%	0.754	70%	0.696	S	S	*	*			cis	-156.8	139.8	49.5	-64.7	158.7	0	0	0	114.1
356	L	31.3	Very low	32.8	Very low	148 Å²	148	128.4 Å²	128.4	78%	0.775	70%	0.699	S	S	*	*				44.8	164.7	125.1	-78.7	85.2	0	0	0	124
357	P	34.7	Very low	32.3	Very low	113 Å²	113	129.4 Å²	129.4	73%	0.734	71%	0.709	S	S	*	*			cis	-145.5	-171.2	-34.3	41.9	-22.5	0	0	0	116.8
358	S	30.2	Very low	32.1	Very low	110 Å²	110	128.9 Å²	128.9	77%	0.769	72%	0.717	S	S	*	*			trans	-71.7	-156.8	176.3	-35	0	0	0	0	115.6
359	P	37.3	Very low	31.8	Very low	106 Å²	106	127.3 Å²	127.3	69%	0.688	72%	0.716	S	S	*	*			cis	-149.2	-168.6	2.2	37.5	-12.1	0	0	0	119.7
360	T	30.2	Very low	31.6	Very low	128 Å²	128	124.4 Å²	124.4	79%	0.785	72%	0.722	S	S	*	*			trans	71.9	153.8	146.3	41.8	0	0	0	0	121.9
361	S	29.6	Very low	31.5	Very low	91 Å²	91	121.1 Å²	121.1	64%	0.636	72%	0.724	S	S	*	*			cis	-178.1	176.9	-12.1	53.7	0	0	0	0	114.9
362	L	33.2	Very low	31.5	Very low	158 Å²	158	118.5 Å²	118.5	83%	0.827	72%	0.723	S	S	*	*			trans	74.1	161.5	165.3	-85.5	84.8	0	0	0	118.9
363	S	27.9	Very low	31.3	Very low	78 Å²	78	121.1 Å²	121.1	55%	0.545	73%	0.725	S	S	.	*				177.2	159.6	-58.1	55.5	0	0	0	0	112.8
364	N	32.7	Very low	30.8	Very low	129 Å²	129	122.2 Å²	122.2	69%	0.69	73%	0.726	S	S	*	*			trans	87.6	116.6	155	-59.1	-24.4	0	0	0	121.1
365	N	29.1	Very low	30.7	Very low	148 Å²	148	125.2 Å²	125.2	79%	0.791	73%	0.731	S	S	*	*				47.3	143.3	108.4	-57.2	-10.8	0	0	0	120.5
366	S	27.4	Very low	30.6	Very low	97 Å²	97	123.1 Å²	123.1	68%	0.678	73%	0.725	S	S	*	*			cis	177.5	161.9	-2	50	0	0	0	0	113.7
367	V	26.1	Very low	30.9	Very low	124 Å²	124	123.5 Å²	123.5	75%	0.752	73%	0.726	S	S	*	*			trans	81.4	122.8	133.9	149.8	0	0	0	0	122.4
368	L	26.7	Very low	30.8	Very low	140 Å²	140	122.8 Å²	122.8	73%	0.733	72%	0.723	S	S	*	*			trans	75.4	143.6	146.7	-76.5	173.5	0	0	0	125.1
369	Q	29.4	Very low	31	Very low	173 Å²	173	123 Å²	123	81%	0.808	72%	0.724	S	S	*	*			trans	84.1	118.5	143	-80.6	159.3	-0.9	0	0	122.5
370	S	29.3	Very low	30.8	Very low	109 Å²	109	123.7 Å²	123.7	76%	0.762	73%	0.727	S	S	*	*			trans	-83.6	-174.5	160.2	60.3	0	0	0	0	110
371	P	33.2	Very low	31.2	Very low	117 Å²	117	123 Å²	123	76%	0.76	72%	0.723	S	S	*	*			cis	-132.3	-109.4	14.7	26.9	2.4	0	0	0	117.7
372	P	36.5	Very low	31.5	Very low	104 Å²	104	125.4 Å²	125.4	68%	0.675	73%	0.728	S	S	*	*				-130.8	-169.5	-127.5	39.4	-17.9	0	0	0	116.9
373	L	30.1	Very low	31.4	Very low	141 Å²	141	122.5 Å²	122.5	74%	0.738	72%	0.721	S	S	*	*			trans	110.3	119.4	154.9	-66.2	157.8	0	0	0	119.7
374	N	27.4	Very low	31.6	Very low	127 Å²	127	124.8 Å²	124.8	68%	0.679	73%	0.732	S	S	*	*			trans	73.4	144.2	132.9	-68.9	4.6	0	0	0	123.5
375	N	29.3	Very low	31.4	Very low	145 Å²	145	124.1 Å²	124.1	78%	0.775	73%	0.733	S	S	*	*			trans	74.4	145.3	150.1	-67.8	4.7	0	0	0	117.9
376	T	31.3	Very low	31.4	Very low	100 Å²	100	122.8 Å²	122.8	61%	0.613	73%	0.73	S	S	*	*			cis	-169.7	149.7	-6.2	-104.4	0	0	0	0	110.4
377	I	36.3	Very low	31.4	Very low	156 Å²	156	125.2 Å²	125.2	80%	0.8	74%	0.74	S	S	*	*			trans	64	127.6	168	-78.5	161.2	0	0	0	114.8
378	S	32.7	Very low	31.7	Very low	98 Å²	98	122.3 Å²	122.3	69%	0.685	74%	0.736	S	S	*	*			cis	-157.1	-173	0.2	-103.6	0	0	0	0	108.2
379	S	34.6	Very low	31.8	Very low	113 Å²	113	120.3 Å²	120.3	79%	0.79	73%	0.733	S	S	*	*			cis	-157.1	174.5	31.7	-46.5	0	0	0	0	114.8
380	T	34	Very low	31.8	Very low	121 Å²	121	118.4 Å²	118.4	74%	0.742	73%	0.729	S	S	*	*			trans	-70.1	165.4	170.4	27.7	0	0	0	0	114.9
381	V	39	Very low	32	Very low	115 Å²	115	120.1 Å²	120.1	70%	0.697	73%	0.729	S	S	*	*			cis	-144.2	133.3	6.9	-115.6	0	0	0	0	111.7
382	N	35.1	Very low	31.9	Very low	140 Å²	140	119.9 Å²	119.9	75%	0.749	72%	0.721	S	S	*	*				49.5	153.9	118.6	-58	16.2	0	0	0	121.4
383	S	31.6	Very low	31.8	Very low	98 Å²	98	119.8 Å²	119.8	69%	0.685	72%	0.724	S	S	*	*			cis	-168.4	149.5	-9.6	43.4	0	0	0	0	107.4
384	V	31	Very low	32	Very low	125 Å²	125	119 Å²	119	76%	0.758	72%	0.72	S	S	*	*				55.4	126.8	66.2	179.9	0	0	0	0	110.7
385	T	30	Very low	32.1	Very low	116 Å²	116	119.3 Å²	119.3	71%	0.712	72%	0.717	S	S	*	*			cis	-158.2	138.2	35.5	3.5	0	0	0	0	109.1
386	T	28.4	Very low	32.2	Very low	119 Å²	119	118.8 Å²	118.8	73%	0.73	71%	0.714	S	S	*	*				58.1	141	95.4	74	0	0	0	0	121.1
387	V	27.8	Very low	32.2	Very low	148 Å²	148	118.5 Å²	118.5	90%	0.897	72%	0.716	S	S	*	*			trans	85.7	143.8	160.1	-167	0	0	0	0	118.3
388	G	32.1	Very low	32	Very low	64 Å²	64	116.6 Å²	116.6	66%	0.66	72%	0.716	S	S	*	*			trans	96.3	107.2	180	0	0	0	0	0	111.8
389	S	28.4	Very low	32.1	Very low	97 Å²	97	117.6 Å²	117.6	68%	0.678	72%	0.72	S	S	*	*			cis	94.4	132.3	25	95.9	0	0	0	0	115.7
390	D	30.8	Very low	31.9	Very low	134 Å²	134	118.2 Å²	118.2	72%	0.717	72%	0.719	S	S	*	*			trans	74	140.5	155.9	-42	-44.7	0	0	0	121.2
391	D	33.5	Very low	31.9	Very low	144 Å²	144	118.9 Å²	118.9	77%	0.77	71%	0.714	S	S	*	*			trans	60.8	153	155.4	-66.2	-28.7	0	0	0	121.8
392	N	31	Very low	31.5	Very low	112 Å²	112	124.9 Å²	124.9	60%	0.599	72%	0.724	S	S	*	*			cis	-170.9	164.6	-41.8	-124.6	-39	0	0	0	107.4
393	S	33.5	Very low	31.2	Very low	103 Å²	103	123.1 Å²	123.1	72%	0.72	72%	0.723	S	S	*	*			trans	65.6	157.1	168.8	84.8	0	0	0	0	116.2
394	D	33.1	Very low	31	Very low	124 Å²	124	128.1 Å²	128.1	66%	0.663	73%	0.732	S	S	*	*			cis	-158.3	157.7	-14.4	-125	1.8	0	0	0	113.8
395	Q	31.2	Very low	30.9	Very low	133 Å²	133	133.6 Å²	133.6	62%	0.621	74%	0.739	S	S	*	*			trans	58.1	121	142.6	-72.2	-178.9	64.3	0	0	123.7
396	L	31	Very low	30.9	Very low	135 Å²	135	137 Å²	137	71%	0.707	75%	0.747	S	S	*	*				93.3	135.8	123	-74.9	175.4	0	0	0	124
397	S	30.6	Very low	31	Very low	94 Å²	94	138.9 Å²	138.9	66%	0.657	75%	0.753	S	S	*	*			trans	87	70.4	139.2	-66	0	0	0	0	122.6
398	S	31.5	Very low	31.2	Very low	115 Å²	115	137.3 Å²	137.3	80%	0.804	75%	0.749	S	S	*	*				92.4	151.7	114.4	79.1	0	0	0	0	121
399	P	36.3	Very low	31.1	Very low	119 Å²	119	137.8 Å²	137.8	77%	0.773	75%	0.753	S	S	*	*			trans	-132.6	155	-155.8	39.8	-21.5	0	0	0	117
400	V	30.8	Very low	31.4	Very low	127 Å²	127	138.1 Å²	138.1	77%	0.77	75%	0.751	S	S	*	*			trans	-142.3	145	167.6	176.1	0	0	0	0	112
401	Q	32.2	Very low	31.5	Very low	134 Å²	134	138 Å²	138	63%	0.626	75%	0.749	S	S	*	*			trans	72.8	85.9	167.2	-85.6	160.4	84.3	0	0	119
402	R	31.4	Very low	31.6	Very low	242 Å²	242	136.9 Å²	136.9	91%	0.913	74%	0.744	S	S	*	*				36.7	138.1	111.6	-65.7	-179.9	179.8	177.9	-0.4	118.7
403	S	29.1	Very low	31.7	Very low	103 Å²	103	136.9 Å²	136.9	72%	0.72	74%	0.743	S	S	*	*			cis	-165.9	142.1	-7.9	-172	0	0	0	0	111.5
404	K	28	Very low	31.6	Very low	203 Å²	203	138.5 Å²	138.5	88%	0.883	74%	0.739	S	S	*	*			trans	-16.6	117.3	170.7	-58.4	179.7	178.2	-175.6	0	116.9
405	R	27.8	Very low	31.7	Very low	239 Å²	239	135.1 Å²	135.1	90%	0.902	72%	0.72	S	S	*	*			trans	-149.7	74.9	161.6	-91.3	-164.2	171.7	-166.4	-0.7	111.6
406	Q	31.2	Very low	31.7	Very low	187 Å²	187	131.4 Å²	131.4	87%	0.874	71%	0.712	S	S	*	*			trans	-167.9	118.5	164.3	-110.4	153.2	-5.8	0	0	109.1
407	D	29.7	Very low	31.7	Very low	159 Å²	159	129.3 Å²	129.3	85%	0.85	70%	0.701	S	S	*	*	S	Bend	trans	-178.6	167.6	135.3	-92.8	-29.4	0	0	0	109.6	G409	D407-G409 PolarHBondContact O-N 3.49Å
408	S	31.9	Very low	31.8	Very low	116 Å²	116	127.5 Å²	127.5	81%	0.811	69%	0.693	S	S	*	*			trans	53.7	46.4	-177.4	68.9	0	0	0	0	116.7	V410	S408-V410 PolarHBondContact O-N 3.27Å
409	G	30.1	Very low	31.8	Very low	74 Å²	74	129.2 Å²	129.2	76%	0.763	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	74.3	179	0	0	0	0	0	116.4	D407	D407-G409 PolarHBondContact O-N 3.49Å
410	V	34.5	Very low	31.6	Very low	104 Å²	104	131.7 Å²	131.7	63%	0.63	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.3	-50.4	163.2	-175.1	0	0	0	0	111.8	S408 N412 I413	S408-V410 PolarHBondContact O-N 3.27Å; V410-N412 PolarHBondContact O-N 3.46Å; V410-I413 PolarHBondContact O-N 3.5Å
411	L	32.2	Very low	31.6	Very low	130 Å²	130	131.9 Å²	131.9	68%	0.681	68%	0.676	S	S	*	*	H	α-helix	trans	-60.9	-36.4	-170.1	-123.6	69.9	0	0	0	114.6	I413 H414 I415	L411-I413 VanDerWaalsContact C-N 3.27Å; L411-I413 PolarHBondContact O-N 3.25Å; L411-H414 PolarHBondContact O-N 3.1Å; L411-I415 PolarHBondContact O-N 2.89Å
412	N	35.7	Very low	31.7	Very low	122 Å²	122	132.4 Å²	132.4	65%	0.652	68%	0.678	S	S	*	*	H	α-helix	trans	-67	-20.9	-173.2	-90.9	-58.3	0	0	0	114.5	V410 A416	V410-N412 PolarHBondContact O-N 3.46Å; N412-A416 VanDerWaalsContact O-CB 3.22Å; N412-A416 WeakPolarHBondContact O-CB 3.23Å; N412-A416 PolarHBondContact O-N 2.87Å
413	I	33.8	Very low	31.5	Very low	112 Å²	112	124.9 Å²	124.9	57%	0.574	67%	0.668	S	S	*	*	H	α-helix	trans	-72.4	-37.8	178.3	-65.2	176.8	0	0	0	110.7	V410 L411 N417	V410-I413 PolarHBondContact O-N 3.5Å; L411-I413 VanDerWaalsContact C-N 3.27Å; L411-I413 PolarHBondContact O-N 3.25Å; I413-N417 WeakPolarHBondContact O-CB 3.16Å; I413-N417 PolarHBondContact O-N 3.03Å; I413-N417 VanDerWaalsContact O-N 3.07Å
414	H	31.3	Very low	31.4	Very low	137 Å²	137	126.1 Å²	126.1	63%	0.634	67%	0.666	S	S	*	*	H	α-helix	trans	-73.4	-38.4	176.5	-67.1	-44.7	0	0	0	112.2	L411 N417 A418	L411-H414 PolarHBondContact O-N 3.1Å; H414-N417 PolarHBondContact O-N 2.87Å; H414-A418 PolarHBondContact O-N 3.44Å
415	I	35.8	Very low	31.3	Very low	52 Å²	52	121.1 Å²	121.1	27%	0.267	66%	0.656	S	S	.	*	H	α-helix	trans	-65.6	-39	174.8	-61.1	171.1	0	0	0	111.2	L411 A418 R419	L411-I415 PolarHBondContact O-N 2.89Å; I415-A418 PolarHBondContact O-N 3.24Å; I415-R419 WeakPolarHBondContact O-CG 3.49Å; I415-R419 PolarHBondContact O-N 3.43Å
416	A	30.4	Very low	31.1	Very low	56 Å²	56	116.2 Å²	116.2	46%	0.463	65%	0.647	S	S	.	*	H	α-helix	trans	-65.9	-37.5	174.3	0	0	0	0	0	112.9	N412 K420	N412-A416 VanDerWaalsContact O-CB 3.22Å; N412-A416 WeakPolarHBondContact O-CB 3.23Å; N412-A416 PolarHBondContact O-N 2.87Å; A416-K420 PolarHBondContact O-N 3.28Å; A416-K420 VanDerWaalsContact O-N 3.11Å
417	N	31.7	Very low	30.9	Very low	90 Å²	90	114.4 Å²	114.4	48%	0.481	64%	0.643	S	S	.	*	H	α-helix	trans	-70.3	-38.3	175.1	-76.9	-16.1	0	0	0	112.3	I413 H414 R419 K420 L421	I413-N417 WeakPolarHBondContact O-CB 3.16Å; I413-N417 PolarHBondContact O-N 3.03Å; I413-N417 VanDerWaalsContact O-N 3.07Å; H414-N417 PolarHBondContact O-N 2.87Å; N417-R419 PolarHBondContact O-N 3.11Å; N417-K420 PolarHBondContact O-N 2.9Å; N417-L421 PolarHBondContact O-N 2.93Å
418	A	32.3	Very low	30.8	Very low	57 Å²	57	113.4 Å²	113.4	47%	0.471	63%	0.631	S	S	.	*	H	α-helix	trans	-59.5	-45.2	172.6	0	0	0	0	0	111.7	H414 I415 K420 L421	H414-A418 PolarHBondContact O-N 3.44Å; I415-A418 PolarHBondContact O-N 3.24Å; A418-K420 VanDerWaalsContact C-N 3.28Å; A418-K420 PolarHBondContact O-N 2.83Å; A418-L421 PolarHBondContact O-N 3.23Å
419	R	30.9	Very low	30.4	Very low	151 Å²	151	116.7 Å²	116.7	57%	0.57	63%	0.634	S	S	*	*	H	α-helix	trans	-72.7	-16.1	178.8	-66.2	178.9	-173.2	-173.8	2.1	113.7	I415 N417 E595	I415-R419 WeakPolarHBondContact O-CG 3.49Å; I415-R419 PolarHBondContact O-N 3.43Å; N417-R419 PolarHBondContact O-N 3.11Å; R419-E595 IonicContact NH2-OE2 3.73Å; R419-E595 PolarHBondContact NH2-OE2 2.96Å
420	K	31.7	Very low	30.2	Very low	171 Å²	171	120.6 Å²	120.6	74%	0.743	63%	0.63	S	S	*	*	H	α-helix	trans	-78.2	-17.2	169.7	-98.3	-175	174.7	-180	0	114.6	A416 N417 A418 Q422	A416-K420 PolarHBondContact O-N 3.28Å; A416-K420 VanDerWaalsContact O-N 3.11Å; N417-K420 PolarHBondContact O-N 2.9Å; A418-K420 VanDerWaalsContact C-N 3.28Å; A418-K420 PolarHBondContact O-N 2.83Å; K420-Q422 VanDerWaalsContact C-N 3.34Å
421	L	31.7	Very low	29.8	Very low	130 Å²	130	121 Å²	121	68%	0.681	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-79.9	-14.5	177.1	-72.3	168.1	0	0	0	113.4	N417 A418 A423	N417-L421 PolarHBondContact O-N 2.93Å; A418-L421 PolarHBondContact O-N 3.23Å; L421-A423 PolarHBondContact O-N 3.15Å; L421-A423 VanDerWaalsContact O-N 3.16Å
422	Q	33.6	Very low	29.5	Very low	146 Å²	146	123.1 Å²	123.1	68%	0.682	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-72.9	-1	179.1	-63	-174	-86.3	0	0	114.5	K420	K420-Q422 VanDerWaalsContact C-N 3.34Å
423	A	28.8	Very low	29.2	Very low	83 Å²	83	123 Å²	123	69%	0.686	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-96.8	0.5	179.6	0	0	0	0	0	114.5	L421	L421-A423 PolarHBondContact O-N 3.15Å; L421-A423 VanDerWaalsContact O-N 3.16Å
424	N	25.5	Very low	29	Very low	130 Å²	130	124 Å²	124	70%	0.695	66%	0.656	S	S	*	*			trans	-149.5	60.4	-178.3	-101.9	-48.8	0	0	0	112	N426	N424-N426 PolarHBondContact O-N 3.08Å
425	C	26.1	Very low	28.8	Very low	97 Å²	97	127.7 Å²	127.7	66%	0.655	67%	0.671	S	S	*	*			trans	-74.6	44.2	-178.8	-63	0	0	0	0	114.5	L427	C425-L427 PolarHBondContact O-N 2.74Å
426	N	24	Very low	28.4	Very low	137 Å²	137	130 Å²	130	73%	0.733	69%	0.692	S	S	*	*			trans	-80.3	87.4	163.8	-72.9	-46.4	0	0	0	108.3	N424 F428	N424-N426 PolarHBondContact O-N 3.08Å; N426-F428 PolarHBondContact O-N 2.87Å
427	L	27.6	Very low	28.4	Very low	149 Å²	149	135.2 Å²	135.2	78%	0.78	71%	0.71	S	S	*	*			trans	-76	80.3	-163.6	-151.3	77.7	0	0	0	114.3	C425	C425-L427 PolarHBondContact O-N 2.74Å
428	F	26.8	Very low	28.3	Very low	137 Å²	137	137.8 Å²	137.8	60%	0.601	72%	0.724	S	S	*	*			trans	47.8	86.6	153.7	-64.8	-79.1	0	0	0	118.8	N426 F430 F505	N426-F428 PolarHBondContact O-N 2.87Å; F428-F430 HydrophobicContact CB-CD2 4.12Å; F428-F430 HydrophobicContact CB-CE2 3.8Å; F428-F430 HydrophobicContact CD1-CE2 4.12Å; F428-F430 HydrophobicContact CD1-CZ 4.18Å; F428-F430 HydrophobicContact CG-CE2 4.21Å; F428-F430 PolarHBondContact O-N 3.32Å; F428-F505 WeakPolarHBondContact O-CZ 3.43Å
429	Q	23	Very low	28.3	Very low	186 Å²	186	141.2 Å²	141.2	87%	0.869	73%	0.734	S	S	*	*			trans	-79.6	103.9	157.1	-177.2	179.8	17.2	0	0	110
430	F	26.5	Very low	28.2	Very low	155 Å²	155	140.8 Å²	140.8	68%	0.68	74%	0.743	S	S	*	*			trans	-85.6	115.7	172.4	-80.7	-80.2	0	0	0	110.9	F428 F505	F428-F430 HydrophobicContact CB-CD2 4.12Å; F428-F430 HydrophobicContact CB-CE2 3.8Å; F428-F430 HydrophobicContact CD1-CE2 4.12Å; F428-F430 HydrophobicContact CD1-CZ 4.18Å; F428-F430 HydrophobicContact CG-CE2 4.21Å; F428-F430 PolarHBondContact O-N 3.32Å; F430-F505 HydrophobicContact CB-CE2 4.29Å; F430-F505 HydrophobicContact CB-CZ 4.24Å; F430-F505 HydrophobicContact CD2-CE2 4.35Å; F430-F505 HydrophobicContact CD2-CZ 4.37Å
431	S	26.5	Very low	28.1	Very low	112 Å²	112	139 Å²	139	78%	0.783	75%	0.747	S	S	*	*			trans	-95	167.6	-177.5	55.4	0	0	0	0	113.7
432	E	26.4	Very low	28	Very low	176 Å²	176	140.3 Å²	140.3	82%	0.822	75%	0.753	S	S	*	*			trans	-67.4	136.5	-169.5	-60.9	175.7	104.1	0	0	115.9
433	C	28.5	Very low	27.7	Very low	120 Å²	120	138.4 Å²	138.4	81%	0.811	75%	0.751	S	S	*	*			trans	-130.8	111.2	138.3	-93.8	0	0	0	0	106.2
434	I	29.7	Very low	27.6	Very low	132 Å²	132	141.2 Å²	141.2	68%	0.677	76%	0.755	S	S	*	*				55.1	100.7	75.9	-54.4	169	0	0	0	109
435	K	27.1	Very low	27.8	Very low	214 Å²	214	140.4 Å²	140.4	93%	0.93	76%	0.755	S	S	*	*			cis	72.8	45.6	26.8	-142.6	-156.8	-173.3	-158.2	0	115.3
436	S	27	Very low	27.8	Very low	102 Å²	102	139.7 Å²	139.7	71%	0.713	75%	0.751	S	S	*	*			trans	-169.4	131.7	154.6	-176.6	0	0	0	0	111
437	I	31.1	Very low	28	Very low	164 Å²	164	138.1 Å²	138.1	84%	0.841	74%	0.742	S	S	*	*			trans	-177.2	104.7	132	-89.9	151.9	0	0	0	106.1
438	D	30.6	Very low	28.1	Very low	145 Å²	145	134.9 Å²	134.9	78%	0.775	73%	0.729	S	S	*	*			trans	-112.4	136.6	164	-86.2	-60	0	0	0	108
439	N	30.7	Very low	28.1	Very low	128 Å²	128	131.1 Å²	131.1	68%	0.684	72%	0.719	S	S	*	*			trans	42.6	109.7	154.7	-56	-44.2	0	0	0	119.7
440	N	30.2	Very low	28.3	Very low	143 Å²	143	125.4 Å²	125.4	77%	0.765	70%	0.7	S	S	*	*				167.8	150.3	100.4	-88.7	-54	0	0	0	114.8
441	T	28	Very low	28.3	Very low	133 Å²	133	122.1 Å²	122.1	82%	0.816	71%	0.709	S	S	*	*			trans	64.5	144.3	157.7	33.7	0	0	0	0	118.4
442	I	30.5	Very low	28.3	Very low	157 Å²	157	119.7 Å²	119.7	81%	0.805	70%	0.702	S	S	*	*			cis	-129.2	160.3	7.4	-64.8	-174.5	0	0	0	111.1
443	T	26.8	Very low	28.2	Very low	107 Å²	107	119.6 Å²	119.6	66%	0.656	71%	0.706	S	S	*	*			trans	-82	160.3	-176.2	54.5	0	0	0	0	117.6
444	N	27.4	Very low	28.1	Very low	142 Å²	142	120.9 Å²	120.9	76%	0.759	70%	0.703	S	S	*	*			trans	75.1	149.2	142.7	-71	-3.6	0	0	0	119.3
445	T	28.7	Very low	27.9	Very low	112 Å²	112	120 Å²	120	69%	0.687	70%	0.7	S	S	*	*			cis	-153.4	139.1	7.3	-3.9	0	0	0	0	112.8
446	S	27.8	Very low	27.9	Very low	82 Å²	82	119.7 Å²	119.7	57%	0.573	69%	0.694	S	S	*	*			trans	31.8	129.5	132.4	75.5	0	0	0	0	119.8
447	N	28	Very low	27.8	Very low	105 Å²	105	120 Å²	120	56%	0.561	69%	0.688	S	S	*	*				169.3	171.8	63.5	-105.9	-13.4	0	0	0	108.7	I1280	N447-I1280 WeakPolarHBondContact ND2-CD1 3.18Å; N447-I1280 VanDerWaalsContact OD1-CD1 3.29Å; N447-I1280 WeakPolarHBondContact OD1-CD1 3.37Å; N447-I1280 WeakPolarHBondContact OD1-CG1 3.36Å
448	T	28.1	Very low	27.7	Very low	81 Å²	81	120 Å²	120	50%	0.497	69%	0.69	S	S	.	*			cis	-163.3	157.9	-1.8	6.9	0	0	0	0	109.5	I1280	T448-I1280 HydrophobicContact CG2-CD1 4.31Å; T448-I1280 HydrophobicContact CG2-CG1 4.01Å
449	C	27	Very low	27.6	Very low	57 Å²	57	122.1 Å²	122.1	39%	0.385	69%	0.687	S	S	.	*			trans	57	149.6	142.7	-63.6	0	0	0	0	123.4	T1278 N1279	C449-T1278 VanDerWaalsContact SG-CA 3.55Å; C449-T1278 WeakPolarHBondContact SG-CB 3.34Å; C449-N1279 PolarHBondContact SG-N 2.84Å
450	S	27.2	Very low	27.5	Very low	67 Å²	67	122 Å²	122	47%	0.469	69%	0.686	S	S	.	*			cis	-173.5	135.1	-18.9	46.2	0	0	0	0	112.1	N1277	S450-N1277 PolarHBondContact OG-OD1 2.83Å
451	G	26.9	Very low	27.5	Very low	85 Å²	85	123.7 Å²	123.7	88%	0.876	69%	0.689	S	S	*	*			trans	77.4	148.4	161.6	0	0	0	0	0	117.5
452	G	26	Very low	27.5	Very low	61 Å²	61	121.7 Å²	121.7	63%	0.629	69%	0.686	S	S	*	*			cis	159.3	131.3	-11.9	0	0	0	0	0	114.6
453	L	25.2	Very low	27.4	Very low	175 Å²	175	121.8 Å²	121.8	92%	0.916	69%	0.688	S	S	*	*			trans	61.4	163.6	172.3	-61.1	89	0	0	0	115.1
454	I	25.7	Very low	27.5	Very low	147 Å²	147	123.3 Å²	123.3	75%	0.754	70%	0.697	S	S	*	*			cis	-131.5	145.6	11.8	-62.9	167	0	0	0	111.3
455	N	26.1	Very low	27.6	Very low	114 Å²	114	123.6 Å²	123.6	61%	0.61	70%	0.697	S	S	*	*			trans	-20.1	150.1	155.8	-166.9	30.3	0	0	0	119.2
456	Y	26.6	Very low	27.7	Very low	206 Å²	206	123.7 Å²	123.7	81%	0.808	70%	0.698	S	S	*	*				-165.5	144.3	119.6	-107.5	-65.7	0	0	0	113.4
457	D	25.7	Very low	27.9	Very low	109 Å²	109	127 Å²	127	58%	0.583	71%	0.709	S	S	*	*			trans	-59.4	157.5	174.7	-59.2	-105.6	0	0	0	114.4
458	N	29.4	Very low	28.2	Very low	164 Å²	164	128.2 Å²	128.2	88%	0.877	71%	0.711	S	S	*	*				-149.5	152	119.1	-127.7	-33.5	0	0	0	113.6
459	R	27.8	Very low	28.9	Very low	189 Å²	189	130.6 Å²	130.6	71%	0.713	72%	0.72	S	S	*	*			trans	-103	156.5	-176.7	-54.2	171	-175.1	163.9	-0.7	110.6
460	N	28.2	Very low	29.7	Very low	125 Å²	125	131.6 Å²	131.6	67%	0.668	73%	0.726	S	S	*	*				159.2	169	111.9	-83.4	-26.8	0	0	0	113.8
461	H	31.1	Very low	30.6	Very low	180 Å²	180	131.2 Å²	131.2	83%	0.833	72%	0.723	S	S	*	*			trans	85.1	105	163.6	-57.2	-63.4	0	0	0	117.2
462	A	26.8	Very low	31.7	Very low	90 Å²	90	129.4 Å²	129.4	74%	0.744	70%	0.695	S	S	*	*			trans	-72.7	167.7	169.2	0	0	0	0	0	112.1
463	N	29.9	Very low	33	Very low	159 Å²	159	129.9 Å²	129.9	85%	0.85	69%	0.686	S	S	*	*			trans	-149.1	149.7	134	-100.8	-26.8	0	0	0	109.9
464	T	27.1	Very low	34.5	Very low	139 Å²	139	123.5 Å²	123.5	85%	0.853	65%	0.652	S	S	*	*			trans	-79	122.7	-173.9	-44.8	0	0	0	0	110.9
465	I	30.6	Very low	35.6	Very low	148 Å²	148	117.9 Å²	117.9	76%	0.759	63%	0.631	S	S	*	*			trans	-131.9	139.1	166.9	-59.8	-178.3	0	0	0	107.5
466	V	29.7	Very low	36.8	Very low	114 Å²	114	116.6 Å²	116.6	69%	0.691	63%	0.627	S	S	*	*			trans	-84.8	121.4	176.6	178	0	0	0	0	108.4	E468	V466-E468 PolarHBondContact O-N 3.27Å
467	D	33.6	Very low	38	Very low	153 Å²	153	108.9 Å²	108.9	82%	0.818	60%	0.603	S	S	*	*			trans	-68.9	93.4	176.2	-83.8	-31.8	0	0	0	111
468	E	33.9	Very low	39.6	Very low	130 Å²	130	108.4 Å²	108.4	61%	0.607	60%	0.6	S	S	*	*			trans	-62.1	139.1	164.4	-67.9	-167.4	116.4	0	0	110.5	V466 P470	V466-E468 PolarHBondContact O-N 3.27Å; E468-P470 VanDerWaalsContact O-CD 3.27Å; E468-P470 WeakPolarHBondContact O-CD 3.49Å
469	L	41.9	Very low	41	Very low	130 Å²	130	103.3 Å²	103.3	68%	0.681	57%	0.573	S	S	*	*			trans	-64.2	114.9	166.9	-84.8	167.5	0	0	0	108.7	S471	L469-S471 PolarHBondContact O-N 2.89Å
470	P	44.5	Very low	42.4	Very low	79 Å²	79	97.8 Å²	97.8	51%	0.513	56%	0.559	S	S	.	*			trans	-69.2	108.3	-167.8	25.8	-34.4	0	0	0	111.1	E468 T472	E468-P470 VanDerWaalsContact O-CD 3.27Å; E468-P470 WeakPolarHBondContact O-CD 3.49Å; P470-T472 PolarHBondContact O-N 2.95Å; P470-T472 PolarHBondContact O-OG1 3.23Å
471	S	46.3	Very low	43.9	Very low	58 Å²	58	93.8 Å²	93.8	41%	0.406	54%	0.535	S	S	.	.			trans	-60.7	106.7	166.8	65.6	0	0	0	0	108.8	L469 V473 S496	L469-S471 PolarHBondContact O-N 2.89Å; S471-V473 PolarHBondContact O-N 3.01Å; S471-S496 CarbonylContact C-O 3.58Å; S471-S496 WeakPolarHBondContact CA-O 3.43Å
472	T	49.8	Very low	44.7	Very low	47 Å²	47	86.4 Å²	86.4	29%	0.288	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	100.3	-179.7	-56.3	0	0	0	0	107.4	P470 I474 S496	P470-T472 PolarHBondContact O-N 2.95Å; P470-T472 PolarHBondContact O-OG1 3.23Å; T472-I474 PolarHBondContact O-N 3.43Å; T472-S496 PolarHBondContact N-O 2.84Å; T472-S496 WeakPolarHBondContact O-CB 3.18Å; T472-S496 PolarHBondContact O-N 2.76Å
473	V	53.5	Low	45.3	Very low	71 Å²	71	91.8 Å²	91.8	43%	0.43	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	110.3	172.3	-177.4	0	0	0	0	108.2	S471 G475 E493	S471-V473 PolarHBondContact O-N 3.01Å; V473-G475 PolarHBondContact O-N 2.99Å; V473-E493 HydrophobicContact CG1-CG 3.66Å; V473-E493 HydrophobicContact CG2-CG 4.33Å; V473-E493 WeakPolarHBondContact CG2-OE1 3.48Å
474	I	56.5	Low	45.7	Very low	41 Å²	41	89.9 Å²	89.9	21%	0.21	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	-33.3	179	-43.9	-179.6	0	0	0	109.1	T472 I494 I502 L504	T472-I474 PolarHBondContact O-N 3.43Å; I474-I494 HydrophobicContact CD1-CG2 3.91Å; I474-I494 HydrophobicContact CG1-CG2 4.4Å; I474-I494 WeakPolarHBondContact CG1-O 3.25Å; I474-I494 PolarHBondContact N-O 2.96Å; I474-I502 HydrophobicContact CD1-CD1 4.28Å; I474-I502 HydrophobicContact CD1-CG2 4.45Å; I474-I502 HydrophobicContact CG2-CB 4.31Å; I474-I502 HydrophobicContact CG2-CG2 4.39Å; I474-L504 HydrophobicContact CG2-CD1 3.76Å; I474-L504 HydrophobicContact CG2-CG 4.15Å
475	G	49.2	Very low	46.4	Very low	30 Å²	30	90.4 Å²	90.4	31%	0.309	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	164.9	168.7	171.5	0	0	0	0	0	111.2	V473 I494	V473-G475 PolarHBondContact O-N 2.99Å; G475-I494 PolarHBondContact O-N 2.87Å
476	V	51.6	Low	47.4	Very low	87 Å²	87	88.2 Å²	88.2	53%	0.527	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	124	160.2	-179.4	0	0	0	0	107.2	A491 V492	V476-A491 HydrophobicContact CG1-CB 4.22Å; V476-V492 CarbonylContact C-O 3.41Å; V476-V492 WeakPolarHBondContact CA-O 3.21Å
477	S	52.2	Low	48.8	Very low	43 Å²	43	89.1 Å²	89.1	30%	0.301	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	144.9	179.5	-170.3	0	0	0	0	110.4	A491 V492	S477-A491 WeakPolarHBondContact O-CA 3.39Å; S477-V492 PolarHBondContact N-O 3.29Å; S477-V492 PolarHBondContact O-N 3.1Å
478	L	59.1	Low	50.1	Low	99 Å²	99	86.4 Å²	86.4	52%	0.518	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	102	173.2	-163.2	73.9	0	0	0	108.5	V480 A491	L478-V480 HydrophobicContact CB-CG2 4.35Å; L478-V480 HydrophobicContact CD2-CG2 3.76Å; L478-V480 HydrophobicContact CG-CG2 3.72Å; L478-A491 HydrophobicContact CD1-CB 4.05Å
479	L	58.1	Low	51.2	Low	58 Å²	58	83.2 Å²	83.2	30%	0.304	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	126.1	167.5	-76.8	172.6	0	0	0	108.3	W481 S489 L490 V492 L590 L606	L479-W481 HydrophobicContact CB-CZ3 4.46Å; L479-S489 CarbonylContact O-C 3.5Å; L479-S489 VanDerWaalsContact O-CA 3.29Å; L479-S489 WeakPolarHBondContact O-CA 3.26Å; L479-L490 HydrophobicContact CB-CB 4.49Å; L479-L490 PolarHBondContact N-O 3.37Å; L479-L490 PolarHBondContact O-N 2.81Å; L479-V492 HydrophobicContact CD1-CG1 3.99Å; L479-V492 HydrophobicContact CD1-CG2 3.76Å; L479-V492 HydrophobicContact CG-CG2 3.93Å; L479-L590 HydrophobicContact CD1-CD1 4.33Å; L479-L606 HydrophobicContact CD1-CD2 3.74Å
480	V	58.2	Low	52.3	Low	72 Å²	72	77 Å²	77	44%	0.436	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	131.5	-174.2	-174.6	0	0	0	0	110.2	L478 P486 Y488	L478-V480 HydrophobicContact CB-CG2 4.35Å; L478-V480 HydrophobicContact CD2-CG2 3.76Å; L478-V480 HydrophobicContact CG-CG2 3.72Å; V480-P486 HydrophobicContact CG1-CB 3.24Å; V480-Y488 WeakPolarHBondContact CA-O 3.37Å; V480-Y488 WeakPolarHBondContact CG1-O 3.49Å
481	W	58.9	Low	53	Low	42 Å²	42	74 Å²	74	16%	0.159	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	173.6	-179.6	68.5	99.1	0	0	0	112.5	L479 E487 Y488 L490 E602 Q605 L606 A609	L479-W481 HydrophobicContact CB-CZ3 4.46Å; W481-E487 PolarHBondContact O-N 3.04Å; W481-Y488 AromaticContact CD1-CD2 3.95Å; W481-Y488 AromaticContact CE2-CG 3.97Å; W481-Y488 HydrophobicContact CZ2-CG 4.22Å; W481-Y488 PolarHBondContact N-O 2.81Å; W481-Y488 AromaticContact NE1-CD2 3.74Å; W481-Y488 AromaticContact NE1-CG 3.75Å; W481-Y488 PolarHBondContact O-N 2.89Å; W481-Y488 VanDerWaalsContact O-N 3.09Å; W481-L490 HydrophobicContact CH2-CB 3.78Å; W481-L490 HydrophobicContact CZ3-CB 3.62Å; W481-E602 WeakPolarHBondContact CH2-O 3.47Å; W481-Q605 HydrophobicContact CZ2-CB 3.94Å; W481-L606 HydrophobicContact CD2-CD1 4.16Å; W481-L606 HydrophobicContact CE3-CD1 3.9Å; W481-L606 HydrophobicContact CH2-CB 3.67Å; W481-L606 HydrophobicContact CH2-CD1 4.4Å; W481-L606 HydrophobicContact CZ2-CB 3.77Å; W481-L606 HydrophobicContact CZ3-CB 4.13Å; W481-L606 HydrophobicContact CZ3-CD1 4.03Å; W481-A609 VanDerWaalsContact CD1-CB 3.5Å; W481-A609 HydrophobicContact CG-CB 4.31Å
482	G	47.8	Very low	53.3	Low	24 Å²	24	71.2 Å²	71.2	25%	0.247	39%	0.39	C	S	.	.			trans	116.9	9.6	-174.2	0	0	0	0	0	115.8	K485	G482-K485 CarbonylContact C-O 2.91Å; G482-K485 WeakPolarHBondContact CA-O 3.27Å; G482-K485 PolarHBondContact O-N 3.35Å
483	Y	40.1	Very low	53.9	Low	204 Å²	204	71.1 Å²	71.1	80%	0.8	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40.8	125	-174.7	-141.5	-91.3	0	0	0	112.9	K485	Y483-K485 PolarHBondContact N-O 2.89Å
484	P	37.6	Very low	54	Low	118 Å²	118	69 Å²	69	77%	0.766	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	cis	-90.2	-2.5	26.5	35.2	-38	0	0	0	117.1
485	K	42.1	Very low	53.6	Low	150 Å²	150	67.2 Å²	67.2	65%	0.652	36%	0.363	S	S	*	.	S	Bend	trans	-120.6	144.2	173.9	-74.8	-176.1	177.9	178.4	0	111	G482 Y483 E487	G482-K485 CarbonylContact C-O 2.91Å; G482-K485 WeakPolarHBondContact CA-O 3.27Å; G482-K485 PolarHBondContact O-N 3.35Å; Y483-K485 PolarHBondContact N-O 2.89Å; K485-E487 VanDerWaalsContact C-N 3.28Å; K485-E487 HydrophobicContact CB-CG 4.36Å; K485-E487 PolarHBondContact O-N 3.18Å
486	P	50.5	Low	53.6	Low	102 Å²	102	66.4 Å²	66.4	66%	0.662	35%	0.352	S	S	*	.			trans	-72.4	83.7	172.3	30.3	-34.4	0	0	0	110.2	V480	V480-P486 HydrophobicContact CG1-CB 3.24Å
487	E	59.5	Low	53.5	Low	134 Å²	134	65.5 Å²	65.5	63%	0.626	34%	0.342	S	S	*	.			trans	-80.4	-29.4	179.2	-67.9	-176.5	165	0	0	112.4	W481 K485	W481-E487 PolarHBondContact O-N 3.04Å; K485-E487 VanDerWaalsContact C-N 3.28Å; K485-E487 HydrophobicContact CB-CG 4.36Å; K485-E487 PolarHBondContact O-N 3.18Å
488	Y	61.7	Low	53.4	Low	95 Å²	95	68.4 Å²	68.4	37%	0.373	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.8	-175.4	-55.9	-80.5	0	0	0	110.7	V480 W481 Q605	V480-Y488 WeakPolarHBondContact CA-O 3.37Å; V480-Y488 WeakPolarHBondContact CG1-O 3.49Å; W481-Y488 AromaticContact CD1-CD2 3.95Å; W481-Y488 AromaticContact CE2-CG 3.97Å; W481-Y488 HydrophobicContact CZ2-CG 4.22Å; W481-Y488 PolarHBondContact N-O 2.81Å; W481-Y488 AromaticContact NE1-CD2 3.74Å; W481-Y488 AromaticContact NE1-CG 3.75Å; W481-Y488 PolarHBondContact O-N 2.89Å; W481-Y488 VanDerWaalsContact O-N 3.09Å; Y488-Q605 VanDerWaalsContact CD1-OE1 3.25Å
489	S	57.3	Low	52.4	Low	63 Å²	63	71.3 Å²	71.3	44%	0.441	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	120.4	177.7	68.2	0	0	0	0	111.9	L479	L479-S489 CarbonylContact O-C 3.5Å; L479-S489 VanDerWaalsContact O-CA 3.29Å; L479-S489 WeakPolarHBondContact O-CA 3.26Å
490	L	62.9	Low	51.6	Low	0 Å²	0	70.7 Å²	70.7	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	117.1	178.4	-174.3	65.8	0	0	0	110	L479 W481 V492 L592 R599 E602 M603 L606	L479-L490 HydrophobicContact CB-CB 4.49Å; L479-L490 PolarHBondContact N-O 3.37Å; L479-L490 PolarHBondContact O-N 2.81Å; W481-L490 HydrophobicContact CH2-CB 3.78Å; W481-L490 HydrophobicContact CZ3-CB 3.62Å; L490-V492 HydrophobicContact CD2-CG1 3.59Å; L490-V492 HydrophobicContact CG-CG1 3.73Å; L490-V492 PolarHBondContact O-N 2.78Å; L490-L592 HydrophobicContact CD1-CD2 3.31Å; L490-L592 HydrophobicContact CD2-CD2 3.89Å; L490-L592 HydrophobicContact CG-CD2 3.92Å; L490-R599 HydrophobicContact CD1-CB 4.36Å; L490-E602 HydrophobicContact CD1-CB 3.52Å; L490-E602 WeakPolarHBondContact CD1-OE2 3.49Å; L490-M603 HydrophobicContact CD2-CB 4.49Å; L490-M603 HydrophobicContact CD2-CE 4.09Å; L490-M603 HydrophobicContact CD2-SD 4.14Å; L490-L606 HydrophobicContact CD2-CB 4.46Å; L490-L606 HydrophobicContact CD2-CD2 3.72Å
491	A	59.8	Low	50.5	Low	16 Å²	16	76.3 Å²	76.3	13%	0.132	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	104.9	170.2	0	0	0	0	0	109.2	V476 S477 L478	V476-A491 HydrophobicContact CG1-CB 4.22Å; S477-A491 WeakPolarHBondContact O-CA 3.39Å; L478-A491 HydrophobicContact CD1-CB 4.05Å
492	V	53.7	Low	49.3	Very low	0 Å²	0	77.9 Å²	77.9	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	139.8	177.4	-66	0	0	0	0	110.6	V476 S477 L479 L490 I494 L590 T591	V476-V492 CarbonylContact C-O 3.41Å; V476-V492 WeakPolarHBondContact CA-O 3.21Å; S477-V492 PolarHBondContact N-O 3.29Å; S477-V492 PolarHBondContact O-N 3.1Å; L479-V492 HydrophobicContact CD1-CG1 3.99Å; L479-V492 HydrophobicContact CD1-CG2 3.76Å; L479-V492 HydrophobicContact CG-CG2 3.93Å; L490-V492 HydrophobicContact CD2-CG1 3.59Å; L490-V492 HydrophobicContact CG-CG1 3.73Å; L490-V492 PolarHBondContact O-N 2.78Å; V492-I494 HydrophobicContact CG2-CG1 4.18Å; V492-L590 HydrophobicContact CG2-CD2 4.32Å; V492-T591 WeakPolarHBondContact CA-O 3.31Å
493	E	62.4	Low	48.3	Very low	45 Å²	45	81.5 Å²	81.5	21%	0.21	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	132.5	161.5	-165.1	-164.8	111.7	0	0	109.2	V473 S495 T591	V473-E493 HydrophobicContact CG1-CG 3.66Å; V473-E493 HydrophobicContact CG2-CG 4.33Å; V473-E493 WeakPolarHBondContact CG2-OE1 3.48Å; E493-S495 PolarHBondContact OE1-OG 3.04Å; E493-T591 PolarHBondContact N-O 3.49Å; E493-T591 PolarHBondContact O-N 2.77Å; E493-T591 VanDerWaalsContact O-N 3.17Å
494	I	54.1	Low	47.6	Very low	25 Å²	25	77.6 Å²	77.6	13%	0.128	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	106.3	173.3	-52.8	-177.4	0	0	0	108.6	I474 G475 V492 F588 L590	I474-I494 HydrophobicContact CD1-CG2 3.91Å; I474-I494 HydrophobicContact CG1-CG2 4.4Å; I474-I494 WeakPolarHBondContact CG1-O 3.25Å; I474-I494 PolarHBondContact N-O 2.96Å; G475-I494 PolarHBondContact O-N 2.87Å; V492-I494 HydrophobicContact CG2-CG1 4.18Å; I494-F588 HydrophobicContact CG2-CD1 4.24Å; I494-L590 HydrophobicContact CG1-CD2 4.1Å
495	S	49.3	Very low	47.1	Very low	5 Å²	5	77.1 Å²	77.1	4%	0.035	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	125.1	-176.2	-20	0	0	0	0	111.3	E493	E493-S495 PolarHBondContact OE1-OG 3.04Å
496	S	49	Very low	46.3	Very low	12 Å²	12	79.1 Å²	79.1	8%	0.084	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	129.7	170.6	170	0	0	0	0	110.4	S471 T472 R498 I502	S471-S496 CarbonylContact C-O 3.58Å; S471-S496 WeakPolarHBondContact CA-O 3.43Å; T472-S496 PolarHBondContact N-O 2.84Å; T472-S496 WeakPolarHBondContact O-CB 3.18Å; T472-S496 PolarHBondContact O-N 2.76Å; S496-R498 PolarHBondContact O-N 2.87Å; S496-R498 PolarHBondContact OG-N 3.3Å; S496-R498 VanDerWaalsContact OG-N 3.12Å; S496-R498 PolarHBondContact OG-O 3.44Å; S496-I502 WeakPolarHBondContact OG-CD1 3.38Å
497	F	49.3	Very low	45.2	Very low	69 Å²	69	83.8 Å²	83.8	30%	0.303	41%	0.405	S	S	.	.	S	Bend	trans	-85.8	26.4	172.1	-68.2	-84.8	0	0	0	113.5	Y587 R589	F497-Y587 HydrophobicContact CD2-CE2 4.33Å; F497-Y587 HydrophobicContact CE2-CE2 4.49Å; F497-R589 HydrophobicContact CE2-CB 4.27Å
498	R	49	Very low	43.7	Very low	103 Å²	103	86 Å²	86	39%	0.389	41%	0.412	S	S	.	.	S	Bend	trans	-138.5	130.7	170	-75	-167.4	169.1	-138.5	-15.3	112.3	S496 G500 Q514	S496-R498 PolarHBondContact O-N 2.87Å; S496-R498 PolarHBondContact OG-N 3.3Å; S496-R498 VanDerWaalsContact OG-N 3.12Å; S496-R498 PolarHBondContact OG-O 3.44Å; R498-G500 PolarHBondContact O-N 2.94Å; R498-Q514 PolarHBondContact NE-O 3.09Å; R498-Q514 PolarHBondContact NH2-O 2.86Å
499	K	40.1	Very low	42.2	Very low	161 Å²	161	89.7 Å²	89.7	70%	0.7	43%	0.43	S	S	*	.			trans	-69.8	108.4	173.2	-172.2	175.3	-176.4	176.9	0	110.1
500	G	40.1	Very low	40.9	Very low	44 Å²	44	93.5 Å²	93.5	45%	0.454	45%	0.446	S	S	.	.	S	Bend	trans	171.1	149.5	177.8	0	0	0	0	0	110.3	R498 I502	R498-G500 PolarHBondContact O-N 2.94Å; G500-I502 VanDerWaalsContact C-N 3.33Å; G500-I502 PolarHBondContact O-N 3.03Å
501	E	36	Very low	39.4	Very low	191 Å²	191	99.2 Å²	99.2	89%	0.893	48%	0.484	S	S	*	.			trans	-72.1	83.9	-177.9	-64.6	-175.7	148.2	0	0	111.2	T503	E501-T503 PolarHBondContact O-N 2.93Å
502	I	32.2	Very low	38.1	Very low	74 Å²	74	106.8 Å²	106.8	38%	0.379	51%	0.509	S	S	.	.			trans	-72.8	82.5	168.4	-56.5	-179	0	0	0	107.8	I474 S496 G500 L504	I474-I502 HydrophobicContact CD1-CD1 4.28Å; I474-I502 HydrophobicContact CD1-CG2 4.45Å; I474-I502 HydrophobicContact CG2-CB 4.31Å; I474-I502 HydrophobicContact CG2-CG2 4.39Å; S496-I502 WeakPolarHBondContact OG-CD1 3.38Å; G500-I502 VanDerWaalsContact C-N 3.33Å; G500-I502 PolarHBondContact O-N 3.03Å; I502-L504 PolarHBondContact O-N 2.78Å
503	T	27.9	Very low	36.9	Very low	100 Å²	100	109.9 Å²	109.9	61%	0.613	53%	0.525	S	S	*	.			trans	-63	118.6	166.8	-6.3	0	0	0	0	107.9	E501 F505	E501-T503 PolarHBondContact O-N 2.93Å; T503-F505 HydrophobicContact CG2-CD2 3.78Å; T503-F505 HydrophobicContact CG2-CE2 4.01Å; T503-F505 PolarHBondContact O-N 3.01Å
504	L	25.6	Very low	35.4	Very low	122 Å²	122	111.8 Å²	111.8	64%	0.639	53%	0.534	S	S	*	.			trans	-75.3	60.2	-179.1	-100.5	167.4	0	0	0	112.1	I474 I502	I474-L504 HydrophobicContact CG2-CD1 3.76Å; I474-L504 HydrophobicContact CG2-CG 4.15Å; I502-L504 PolarHBondContact O-N 2.78Å
505	F	25.8	Very low	34.2	Very low	109 Å²	109	112.4 Å²	112.4	48%	0.478	54%	0.54	S	S	.	.			trans	-119.1	138.4	170.7	-71.7	-79.9	0	0	0	110.4	F428 F430 T503 Y507	F428-F505 WeakPolarHBondContact O-CZ 3.43Å; F430-F505 HydrophobicContact CB-CE2 4.29Å; F430-F505 HydrophobicContact CB-CZ 4.24Å; F430-F505 HydrophobicContact CD2-CE2 4.35Å; F430-F505 HydrophobicContact CD2-CZ 4.37Å; T503-F505 HydrophobicContact CG2-CD2 3.78Å; T503-F505 HydrophobicContact CG2-CE2 4.01Å; T503-F505 PolarHBondContact O-N 3.01Å; F505-Y507 PolarHBondContact O-N 3.31Å
506	F	27.1	Very low	33.3	Very low	191 Å²	191	114.3 Å²	114.3	84%	0.838	55%	0.553	S	S	*	*	S	Bend	trans	-73.9	45.5	179.9	-83.2	-96.6	0	0	0	113.7
507	Y	26.5	Very low	32.3	Very low	201 Å²	201	116 Å²	116	79%	0.788	56%	0.561	S	S	*	*			trans	-157.4	137.5	173.5	-115.7	-74	0	0	0	116.8	F505	F505-Y507 PolarHBondContact O-N 3.31Å
508	K	27.7	Very low	31.6	Very low	180 Å²	180	114.8 Å²	114.8	78%	0.783	56%	0.556	S	S	*	*			trans	92.6	105.8	142.2	-151.3	175.3	-173.4	178	0	120.9
509	K	30.4	Very low	30.7	Very low	172 Å²	172	111.7 Å²	111.7	75%	0.748	55%	0.547	S	S	*	.			trans	70.3	125.2	152.5	-82.9	-161.1	169.2	-166.7	0	121
510	N	30.9	Very low	30.2	Very low	144 Å²	144	108.4 Å²	108.4	77%	0.77	53%	0.534	S	S	*	.			trans	68.8	46.2	139	-62.1	27.6	0	0	0	120.1
511	C	30.5	Very low	29.8	Very low	119 Å²	119	113.3 Å²	113.3	80%	0.804	54%	0.539	S	S	*	.			trans	-127.9	110.5	159.6	-82.5	0	0	0	0	111.8	L513	C511-L513 PolarHBondContact O-N 2.98Å
512	R	32.9	Very low	29.6	Very low	176 Å²	176	107.4 Å²	107.4	66%	0.664	51%	0.513	S	S	*	.			trans	-80.8	97.6	167.1	-79.2	-174	176.7	-169.6	0.3	109	Q514	R512-Q514 PolarHBondContact O-N 2.95Å
513	L	27.8	Very low	29.9	Very low	64 Å²	64	105.6 Å²	105.6	34%	0.335	51%	0.505	S	S	.	.			trans	-63.7	122.8	172.9	-71.4	166.8	0	0	0	110.9	C511 R556	C511-L513 PolarHBondContact O-N 2.98Å; L513-R556 PolarHBondContact O-NH2 3.02Å
514	Q	31.1	Very low	30.7	Very low	85 Å²	85	103.5 Å²	103.5	40%	0.397	49%	0.493	S	S	.	.			trans	-101.5	109.2	154.9	-48	149.9	-72.9	0	0	106.6	R498 R512	R498-Q514 PolarHBondContact NE-O 3.09Å; R498-Q514 PolarHBondContact NH2-O 2.86Å; R512-Q514 PolarHBondContact O-N 2.95Å
515	P	28.9	Very low	31.5	Very low	38 Å²	38	100.9 Å²	100.9	25%	0.247	48%	0.477	C	S	.	.			trans	-82.9	137	167.2	31.1	-26.8	0	0	0	109.2	G585 Y587	P515-G585 VanDerWaalsContact CG-O 3.23Å; P515-G585 WeakPolarHBondContact CG-O 3.28Å; P515-Y587 HydrophobicContact CB-CD1 3.85Å; P515-Y587 HydrophobicContact CB-CE1 3.83Å
516	C	29.8	Very low	32.5	Very low	45 Å²	45	98.7 Å²	98.7	30%	0.304	47%	0.472	S	S	.	.			trans	-108.8	126.8	160.8	-56.8	0	0	0	0	107.1	V554 Y587	C516-V554 WeakPolarHBondContact CA-O 3.24Å; C516-Y587 VanDerWaalsContact O-CE1 3.32Å; C516-Y587 WeakPolarHBondContact O-CE1 3.3Å; C516-Y587 PolarHBondContact O-OH 3.4Å
517	L	29.7	Very low	33.6	Very low	49 Å²	49	89.9 Å²	89.9	26%	0.257	43%	0.434	S	S	.	.			trans	-63.2	142.9	175.1	-166	75.5	0	0	0	109.4	I519 L528 V552 Y587	L517-I519 HydrophobicContact CD2-CD1 4.32Å; L517-I519 HydrophobicContact CD2-CG1 4.45Å; L517-L528 HydrophobicContact CD2-CD2 4.35Å; L517-V552 VanDerWaalsContact O-O 3.1Å; L517-Y587 HydrophobicContact CD1-CD1 4.22Å; L517-Y587 HydrophobicContact CD1-CE1 4.21Å; L517-Y587 HydrophobicContact CD1-CG 4.4Å
518	H	33.9	Very low	34.6	Very low	43 Å²	43	81.3 Å²	81.3	20%	0.199	40%	0.402	C	S	.	.			trans	-139.9	123.8	177.1	-138.5	135.7	0	0	0	109.7	L551	H518-L551 WeakPolarHBondContact NE2-CA 3.47Å; H518-L551 WeakPolarHBondContact NE2-CB 3.32Å; H518-L551 WeakPolarHBondContact NE2-CD2 3.34Å
519	I	29.5	Very low	35.5	Very low	37 Å²	37	73.8 Å²	73.8	19%	0.19	37%	0.37	C	S	.	.			trans	-116.7	117.7	178	-58.7	-178.2	0	0	0	108	L517 R521 L528	L517-I519 HydrophobicContact CD2-CD1 4.32Å; L517-I519 HydrophobicContact CD2-CG1 4.45Å; I519-R521 PolarHBondContact O-N 3.13Å; I519-L528 HydrophobicContact CD1-CD1 3.71Å; I519-L528 HydrophobicContact CD1-CD2 3.69Å; I519-L528 HydrophobicContact CD1-CG 4.36Å
520	Q	30.7	Very low	36.3	Very low	93 Å²	93	67.4 Å²	67.4	44%	0.435	34%	0.341	S	S	.	.			trans	-93.8	63.9	178.9	-75.1	178.1	-51.2	0	0	111.1
521	R	31.8	Very low	37.1	Very low	147 Å²	147	63.3 Å²	63.3	56%	0.555	32%	0.318	S	S	*	.	S	Bend	trans	-167.2	162.3	164.2	-107.9	155.2	-172	171.4	3.9	110.3	I519 V523 D624 S626	I519-R521 PolarHBondContact O-N 3.13Å; R521-V523 VanDerWaalsContact C-N 3.3Å; R521-V523 PolarHBondContact O-N 2.95Å; R521-D624 IonicContact NH1-OD1 2.74Å; R521-S626 PolarHBondContact NH1-OG 3.43Å
522	L	30.2	Very low	37.8	Very low	66 Å²	66	58.8 Å²	58.8	35%	0.346	29%	0.285	S	S	.	.	S	Bend	trans	-72.6	69	-165.5	-76.8	165	0	0	0	114.4	D544	L522-D544 WeakPolarHBondContact CD1-O 3.3Å
523	V	39.8	Very low	38.3	Very low	37 Å²	37	51.7 Å²	51.7	22%	0.224	26%	0.264	C	S	.	.			trans	-123.2	116.2	166	178.1	0	0	0	0	108.6	R521 L528 C623	R521-V523 VanDerWaalsContact C-N 3.3Å; R521-V523 PolarHBondContact O-N 2.95Å; V523-L528 HydrophobicContact CG1-CB 4.2Å; V523-C623 HydrophobicContact CB-CB 4.16Å; V523-C623 HydrophobicContact CG1-CB 3.91Å; V523-C623 HydrophobicContact CG2-CB 3.8Å; V523-C623 WeakPolarHBondContact CG2-O 3.42Å
524	T	44.8	Very low	38.6	Very low	56 Å²	56	52.1 Å²	52.1	34%	0.344	28%	0.284	S	S	.	.			trans	-64.4	154.1	-176.8	75.5	0	0	0	0	110.8	T526 S527 L528 F543	T524-T526 PolarHBondContact O-N 3.43Å; T524-T526 VanDerWaalsContact O-N 3.12Å; T524-T526 PolarHBondContact OG1-N 2.84Å; T524-S527 WeakPolarHBondContact O-CB 3.49Å; T524-S527 PolarHBondContact O-N 3.14Å; T524-S527 PolarHBondContact OG1-N 3.16Å; T524-S527 PolarHBondContact OG1-OG 2.91Å; T524-L528 PolarHBondContact O-N 3.37Å; T524-F543 HydrophobicContact CG2-CE1 3.81Å; T524-F543 HydrophobicContact CG2-CZ 4.45Å
525	H	42.2	Very low	38.9	Very low	66 Å²	66	52 Å²	52	31%	0.306	29%	0.285	S	S	.	.	H	α-helix	trans	-47.9	-40.8	170.8	175.1	-77.4	0	0	0	111.7	H529 V552	H525-H529 AromaticContact CE1-CD2 3.94Å; H525-H529 AromaticContact CE1-CE1 3.5Å; H525-H529 AromaticContact CE1-CG 3.92Å; H525-H529 AromaticContact CE1-ND1 3.65Å; H525-H529 AromaticContact CE1-NE2 3.71Å; H525-H529 AromaticContact NE2-CE1 3.65Å; H525-H529 AromaticContact NE2-NE2 3.57Å; H525-H529 WeakPolarHBondContact O-CB 3.35Å; H525-H529 PolarHBondContact O-CD2 2.86Å; H525-H529 PolarHBondContact O-N 3.36Å; H525-V552 HydrophobicContact CB-CG1 4.11Å; H525-V552 HydrophobicContact CB-CG2 4.43Å
526	T	47.3	Very low	39.7	Very low	63 Å²	63	58.5 Å²	58.5	39%	0.387	31%	0.313	S	S	.	.	H	α-helix	trans	-65.5	-46.2	177.9	-24.8	0	0	0	0	112.1	T524 H529 Y530 P563	T524-T526 PolarHBondContact O-N 3.43Å; T524-T526 VanDerWaalsContact O-N 3.12Å; T524-T526 PolarHBondContact OG1-N 2.84Å; T526-H529 PolarHBondContact O-N 2.97Å; T526-Y530 HydrophobicContact CG2-CD2 4.02Å; T526-Y530 HydrophobicContact CG2-CE2 3.61Å; T526-Y530 WeakPolarHBondContact O-CD2 3.42Å; T526-Y530 PolarHBondContact O-N 3Å; T526-P563 HydrophobicContact CG2-CG 3.95Å
527	S	48.9	Very low	40.2	Very low	6 Å²	6	58.7 Å²	58.7	4%	0.042	31%	0.313	C	S	.	.	H	α-helix	trans	-60.8	-48.9	176.5	-54.3	0	0	0	0	111.1	T524 H529 Y530 E531	T524-S527 WeakPolarHBondContact O-CB 3.49Å; T524-S527 PolarHBondContact O-N 3.14Å; T524-S527 PolarHBondContact OG1-N 3.16Å; T524-S527 PolarHBondContact OG1-OG 2.91Å; S527-H529 VanDerWaalsContact C-N 3.33Å; S527-H529 PolarHBondContact O-N 2.91Å; S527-Y530 PolarHBondContact O-N 2.97Å; S527-Y530 VanDerWaalsContact O-N 3.16Å; S527-E531 WeakPolarHBondContact O-CB 3.27Å; S527-E531 WeakPolarHBondContact O-CG 3.38Å; S527-E531 PolarHBondContact O-N 3.44Å
528	L	47.1	Very low	40.6	Very low	22 Å²	22	66.5 Å²	66.5	12%	0.115	34%	0.34	C	S	.	.	H	α-helix	trans	-59.9	-41.3	177.5	-171.1	73.3	0	0	0	111.9	L517 I519 V523 T524 L532 C623	L517-L528 HydrophobicContact CD2-CD2 4.35Å; I519-L528 HydrophobicContact CD1-CD1 3.71Å; I519-L528 HydrophobicContact CD1-CD2 3.69Å; I519-L528 HydrophobicContact CD1-CG 4.36Å; V523-L528 HydrophobicContact CG1-CB 4.2Å; T524-L528 PolarHBondContact O-N 3.37Å; L528-L532 HydrophobicContact CD1-CD1 3.9Å; L528-L532 HydrophobicContact CD1-CG 4.33Å; L528-L532 HydrophobicContact CD2-CD1 4.48Å; L528-L532 HydrophobicContact CG-CD1 3.81Å; L528-L532 HydrophobicContact CG-CG 4.45Å; L528-L532 VanDerWaalsContact O-CB 3.23Å; L528-L532 WeakPolarHBondContact O-CB 3.25Å; L528-L532 VanDerWaalsContact O-CG 3.26Å; L528-L532 WeakPolarHBondContact O-CG 3.48Å; L528-L532 PolarHBondContact O-N 3.18Å; L528-C623 HydrophobicContact CD1-CB 4.33Å
529	H	47.9	Very low	41	Very low	21 Å²	21	68.8 Å²	68.8	10%	0.097	36%	0.357	C	S	.	.	H	α-helix	trans	-70.5	-32.4	176.4	-86.8	-139.9	0	0	0	113.4	H525 T526 S527 A533 C561	H525-H529 AromaticContact CE1-CD2 3.94Å; H525-H529 AromaticContact CE1-CE1 3.5Å; H525-H529 AromaticContact CE1-CG 3.92Å; H525-H529 AromaticContact CE1-ND1 3.65Å; H525-H529 AromaticContact CE1-NE2 3.71Å; H525-H529 AromaticContact NE2-CE1 3.65Å; H525-H529 AromaticContact NE2-NE2 3.57Å; H525-H529 WeakPolarHBondContact O-CB 3.35Å; H525-H529 PolarHBondContact O-CD2 2.86Å; H525-H529 PolarHBondContact O-N 3.36Å; T526-H529 PolarHBondContact O-N 2.97Å; S527-H529 VanDerWaalsContact C-N 3.33Å; S527-H529 PolarHBondContact O-N 2.91Å; H529-A533 VanDerWaalsContact O-CB 3.23Å; H529-A533 WeakPolarHBondContact O-CB 3.23Å; H529-A533 PolarHBondContact O-N 3.13Å; H529-C561 PolarHBondContact ND1-O 2.68Å
530	Y	45.7	Very low	41.4	Very low	38 Å²	38	75.5 Å²	75.5	15%	0.149	39%	0.393	C	S	.	.	H	α-helix	trans	-72.1	-51.2	173.6	-78.1	-52.9	0	0	0	111	T526 S527 L532 A533 G534 L535 P537 L562	T526-Y530 HydrophobicContact CG2-CD2 4.02Å; T526-Y530 HydrophobicContact CG2-CE2 3.61Å; T526-Y530 WeakPolarHBondContact O-CD2 3.42Å; T526-Y530 PolarHBondContact O-N 3Å; S527-Y530 PolarHBondContact O-N 2.97Å; S527-Y530 VanDerWaalsContact O-N 3.16Å; Y530-L532 PolarHBondContact O-N 3.14Å; Y530-A533 CarbonylContact O-C 3.07Å; Y530-A533 WeakPolarHBondContact O-CA 3.15Å; Y530-A533 WeakPolarHBondContact O-CB 3.3Å; Y530-A533 PolarHBondContact O-N 3.12Å; Y530-G534 PolarHBondContact O-N 3.14Å; Y530-G534 VanDerWaalsContact O-N 3.13Å; Y530-L535 CarbonylContact C-O 3.37Å; Y530-L535 HydrophobicContact CD1-CB 3.89Å; Y530-L535 HydrophobicContact CD1-CD1 3.87Å; Y530-L535 HydrophobicContact CE1-CD1 4.33Å; Y530-L535 HydrophobicContact CG-CB 4.44Å; Y530-L535 PolarHBondContact O-N 3.05Å; Y530-P537 HydrophobicContact CD2-CB 4.31Å; Y530-L562 HydrophobicContact CD1-CD2 4.5Å
531	E	49.2	Very low	41.9	Very low	59 Å²	59	79.2 Å²	79.2	28%	0.276	41%	0.408	S	S	.	.	H	α-helix	trans	-61.4	-45.6	-179.1	-73.2	166.2	-152.1	0	0	112.1	S527 A533 G534 L535	S527-E531 WeakPolarHBondContact O-CB 3.27Å; S527-E531 WeakPolarHBondContact O-CG 3.38Å; S527-E531 PolarHBondContact O-N 3.44Å; E531-A533 PolarHBondContact O-N 2.75Å; E531-G534 PolarHBondContact O-N 3.49Å; E531-L535 PolarHBondContact N-O 3.06Å
532	L	45.7	Very low	42.2	Very low	23 Å²	23	78.2 Å²	78.2	12%	0.12	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-11.7	174.5	-64.7	175.8	0	0	0	113	L528 Y530 W560 F580	L528-L532 HydrophobicContact CD1-CD1 3.9Å; L528-L532 HydrophobicContact CD1-CG 4.33Å; L528-L532 HydrophobicContact CD2-CD1 4.48Å; L528-L532 HydrophobicContact CG-CD1 3.81Å; L528-L532 HydrophobicContact CG-CG 4.45Å; L528-L532 VanDerWaalsContact O-CB 3.23Å; L528-L532 WeakPolarHBondContact O-CB 3.25Å; L528-L532 VanDerWaalsContact O-CG 3.26Å; L528-L532 WeakPolarHBondContact O-CG 3.48Å; L528-L532 PolarHBondContact O-N 3.18Å; Y530-L532 PolarHBondContact O-N 3.14Å; L532-W560 HydrophobicContact CB-CZ3 4.1Å; L532-W560 HydrophobicContact CD1-CH2 3.86Å; L532-W560 HydrophobicContact CD1-CZ3 3.57Å; L532-W560 HydrophobicContact CG-CZ3 4.45Å; L532-F580 HydrophobicContact CB-CD1 4.36Å; L532-F580 HydrophobicContact CB-CE1 4.5Å; L532-F580 WeakPolarHBondContact O-CD1 3.46Å; L532-F580 WeakPolarHBondContact O-CD2 3.42Å; L532-F580 VanDerWaalsContact O-CE1 3.26Å; L532-F580 WeakPolarHBondContact O-CE1 3.2Å; L532-F580 WeakPolarHBondContact O-CE2 3.39Å; L532-F580 WeakPolarHBondContact O-CG 3.21Å; L532-F580 WeakPolarHBondContact O-CZ 3.48Å
533	A	42.6	Very low	42.7	Very low	28 Å²	28	80.2 Å²	80.2	23%	0.231	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	2.4	168.1	0	0	0	0	0	113.6	H529 Y530 E531 L535 L562	H529-A533 VanDerWaalsContact O-CB 3.23Å; H529-A533 WeakPolarHBondContact O-CB 3.23Å; H529-A533 PolarHBondContact O-N 3.13Å; Y530-A533 CarbonylContact O-C 3.07Å; Y530-A533 WeakPolarHBondContact O-CA 3.15Å; Y530-A533 WeakPolarHBondContact O-CB 3.3Å; Y530-A533 PolarHBondContact O-N 3.12Å; E531-A533 PolarHBondContact O-N 2.75Å; A533-L535 HydrophobicContact CB-CD1 4.25Å; A533-L535 HydrophobicContact CB-CG 4.34Å; A533-L562 HydrophobicContact CB-CD2 3.63Å; A533-L562 HydrophobicContact CB-CG 4.46Å
534	G	33.2	Very low	42.8	Very low	72 Å²	72	83.8 Å²	83.8	74%	0.742	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	23.9	-176.4	0	0	0	0	0	114.3	Y530 E531	Y530-G534 PolarHBondContact O-N 3.14Å; Y530-G534 VanDerWaalsContact O-N 3.13Å; E531-G534 PolarHBondContact O-N 3.49Å
535	L	39.1	Very low	42.5	Very low	82 Å²	82	88.5 Å²	88.5	43%	0.429	47%	0.466	S	S	.	.			trans	-113	144.5	-178.7	-60.5	175.1	0	0	0	110.4	Y530 E531 A533 L562	Y530-L535 CarbonylContact C-O 3.37Å; Y530-L535 HydrophobicContact CD1-CB 3.89Å; Y530-L535 HydrophobicContact CD1-CD1 3.87Å; Y530-L535 HydrophobicContact CE1-CD1 4.33Å; Y530-L535 HydrophobicContact CG-CB 4.44Å; Y530-L535 PolarHBondContact O-N 3.05Å; E531-L535 PolarHBondContact N-O 3.06Å; A533-L535 HydrophobicContact CB-CD1 4.25Å; A533-L535 HydrophobicContact CB-CG 4.34Å; L535-L562 HydrophobicContact CD1-CD1 4.36Å; L535-L562 HydrophobicContact CD1-CD2 3.81Å
536	Q	44.2	Very low	42.3	Very low	176 Å²	176	92.4 Å²	92.4	82%	0.822	49%	0.49	S	S	*	.			trans	-76.6	140.1	170.5	-78.8	-174.4	-32.7	0	0	111.2	W538	Q536-W538 PolarHBondContact O-N 2.93Å
537	P	40.1	Very low	41.9	Very low	49 Å²	49	90.7 Å²	90.7	32%	0.318	48%	0.484	S	S	.	.			trans	-70.1	126.4	175.2	27.7	-33.4	0	0	0	112.1	Y530 T539	Y530-P537 HydrophobicContact CD2-CB 4.31Å; P537-T539 PolarHBondContact O-N 3.04Å
538	W	39	Very low	41	Very low	213 Å²	213	95.7 Å²	95.7	81%	0.807	52%	0.517	S	S	*	.			trans	-78.1	91.9	174.8	-100.3	26.2	0	0	0	112.4	Q536	Q536-W538 PolarHBondContact O-N 2.93Å
539	T	42.3	Very low	40.1	Very low	91 Å²	91	99.2 Å²	99.2	56%	0.558	54%	0.541	S	S	*	.			trans	-162.4	123.7	151.3	38.2	0	0	0	0	111.5	P537 K541	P537-T539 PolarHBondContact O-N 3.04Å; T539-K541 PolarHBondContact O-N 3.13Å
540	N	36.9	Very low	39.2	Very low	178 Å²	178	103.4 Å²	103.4	95%	0.952	57%	0.568	S	S	*	*			trans	-80.1	32.5	176.7	-61.9	0.5	0	0	0	113.4
541	K	42.8	Very low	38.3	Very low	171 Å²	171	105.5 Å²	105.5	74%	0.743	58%	0.581	S	S	*	*	S	Bend	trans	-119.9	128.9	176.3	-75.1	-171.5	175.2	-177	0	109.4	T539	T539-K541 PolarHBondContact O-N 3.13Å
542	P	37	Very low	37.3	Very low	125 Å²	125	104.5 Å²	104.5	81%	0.812	58%	0.579	S	S	*	*			trans	-64	145.6	172.7	28.4	-34	0	0	0	110.2
543	F	41.1	Very low	36.7	Very low	109 Å²	109	106.2 Å²	106.2	48%	0.478	59%	0.593	S	S	.	*			trans	-73.1	137.1	176.1	-67.6	-80.2	0	0	0	110.7	T524 L545	T524-F543 HydrophobicContact CG2-CE1 3.81Å; T524-F543 HydrophobicContact CG2-CZ 4.45Å; F543-L545 PolarHBondContact O-N 3.43Å
544	D	41.1	Very low	36.2	Very low	111 Å²	111	106.2 Å²	106.2	59%	0.594	59%	0.59	S	S	*	*			trans	-71.9	110.7	174.4	-172.5	-12.7	0	0	0	110.1	L522 N546 G547	L522-D544 WeakPolarHBondContact CD1-O 3.3Å; D544-N546 PolarHBondContact O-N 3.21Å; D544-N546 PolarHBondContact OD1-N 3.09Å; D544-G547 PolarHBondContact O-N 3.5Å
545	L	40.1	Very low	36.4	Very low	156 Å²	156	104.8 Å²	104.8	82%	0.817	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-19	-178.9	-75.9	155.8	0	0	0	113.5	F543	F543-L545 PolarHBondContact O-N 3.43Å
546	N	36.8	Very low	36	Very low	148 Å²	148	105.6 Å²	105.6	79%	0.791	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	2.7	-178.1	-60.5	-49.7	0	0	0	113.3	D544	D544-N546 PolarHBondContact O-N 3.21Å; D544-N546 PolarHBondContact OD1-N 3.09Å
547	G	39.9	Very low	35.8	Very low	27 Å²	27	102.7 Å²	102.7	28%	0.278	56%	0.555	S	S	.	*	S	Bend	trans	-64.5	142.5	177.9	0	0	0	0	0	112.9	D544	D544-G547 PolarHBondContact O-N 3.5Å
548	P	28.7	Very low	35.7	Very low	111 Å²	111	103.2 Å²	103.2	72%	0.721	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-61.9	144.3	177.4	26.4	-34.5	0	0	0	111.2	V550	P548-V550 PolarHBondContact O-N 3.02Å; P548-V550 VanDerWaalsContact O-N 3.14Å
549	P	29.8	Very low	35.4	Very low	96 Å²	96	99.5 Å²	99.5	62%	0.623	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-64.8	116.1	-172.5	25.1	-34.2	0	0	0	111.9	L551	P549-L551 PolarHBondContact O-N 3.3Å; P549-L551 VanDerWaalsContact O-N 3.13Å
550	V	28.5	Very low	35	Very low	108 Å²	108	97.7 Å²	97.7	66%	0.655	53%	0.528	S	S	*	.			trans	-76.7	100.8	179.5	-177.6	0	0	0	0	110	P548 V552	P548-V550 PolarHBondContact O-N 3.02Å; P548-V550 VanDerWaalsContact O-N 3.14Å; V550-V552 HydrophobicContact CG1-CG2 4.19Å; V550-V552 PolarHBondContact O-N 3.47Å
551	L	26	Very low	34.7	Very low	82 Å²	82	92.9 Å²	92.9	43%	0.429	51%	0.507	S	S	.	.			trans	-70.5	104.9	177.8	-58.9	-176.4	0	0	0	111	H518 P549	H518-L551 WeakPolarHBondContact NE2-CA 3.47Å; H518-L551 WeakPolarHBondContact NE2-CB 3.32Å; H518-L551 WeakPolarHBondContact NE2-CD2 3.34Å; P549-L551 PolarHBondContact O-N 3.3Å; P549-L551 VanDerWaalsContact O-N 3.13Å
552	V	29.2	Very low	34.1	Very low	39 Å²	39	86.9 Å²	86.9	24%	0.236	48%	0.483	C	S	.	.			trans	-103.1	131.4	175.4	-179.4	0	0	0	0	109.6	L517 H525 V550 V554	L517-V552 VanDerWaalsContact O-O 3.1Å; H525-V552 HydrophobicContact CB-CG1 4.11Å; H525-V552 HydrophobicContact CB-CG2 4.43Å; V550-V552 HydrophobicContact CG1-CG2 4.19Å; V550-V552 PolarHBondContact O-N 3.47Å; V552-V554 HydrophobicContact CG1-CG2 4.49Å
553	S	31.9	Very low	33.9	Very low	58 Å²	58	83 Å²	83	41%	0.406	46%	0.458	S	S	.	.			trans	-132	122.3	176.1	70.3	0	0	0	0	110.9
554	V	33.3	Very low	33.8	Very low	28 Å²	28	89.6 Å²	89.6	17%	0.17	48%	0.479	C	S	.	.			trans	-99.7	114.7	-174.3	-178.9	0	0	0	0	110.6	C516 V552 Q558	C516-V554 WeakPolarHBondContact CA-O 3.24Å; V552-V554 HydrophobicContact CG1-CG2 4.49Å; V554-Q558 HydrophobicContact CG1-CB 4.33Å
555	P	35.6	Very low	33.5	Very low	43 Å²	43	87.8 Å²	87.8	28%	0.279	47%	0.47	S	S	.	.			trans	-85.4	165.3	-178.9	37.4	-37.5	0	0	0	112.9	D557 Q558	P555-D557 VanDerWaalsContact CB-OD1 3.28Å; P555-D557 WeakPolarHBondContact CB-OD1 3.35Å; P555-D557 WeakPolarHBondContact CG-OD1 3.27Å; P555-D557 PolarHBondContact O-N 2.87Å; P555-D557 VanDerWaalsContact O-N 3.1Å; P555-Q558 HydrophobicContact CG-CG 4.43Å; P555-Q558 PolarHBondContact O-N 2.79Å
556	R	32	Very low	33.3	Very low	99 Å²	99	85.8 Å²	85.8	37%	0.374	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-6	-164	-151.5	-156.8	-115.2	-153	1.3	115.2	L513	L513-R556 PolarHBondContact O-NH2 3.02Å
557	D	39.8	Very low	33.3	Very low	115 Å²	115	83.9 Å²	83.9	62%	0.615	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-9.9	-178.6	48.8	-50	0	0	0	113.1	P555 E559	P555-D557 VanDerWaalsContact CB-OD1 3.28Å; P555-D557 WeakPolarHBondContact CB-OD1 3.35Å; P555-D557 WeakPolarHBondContact CG-OD1 3.27Å; P555-D557 PolarHBondContact O-N 2.87Å; P555-D557 VanDerWaalsContact O-N 3.1Å; D557-E559 PolarHBondContact O-N 3.47Å
558	Q	37.3	Very low	33.3	Very low	59 Å²	59	89.5 Å²	89.5	28%	0.276	48%	0.478	S	S	.	.			trans	-86.8	107.6	169.8	-68.8	-177.6	-7.1	0	0	111.1	V554 P555	V554-Q558 HydrophobicContact CG1-CB 4.33Å; P555-Q558 HydrophobicContact CG-CG 4.43Å; P555-Q558 PolarHBondContact O-N 2.79Å
559	E	32.6	Very low	33.6	Very low	136 Å²	136	91.7 Å²	91.7	64%	0.636	48%	0.476	S	S	*	.			trans	-62.9	145.5	154.8	-66.1	177.9	164.3	0	0	108.9	D557 C561	D557-E559 PolarHBondContact O-N 3.47Å; E559-C561 PolarHBondContact O-N 2.91Å
560	W	35.2	Very low	34	Very low	53 Å²	53	88.9 Å²	88.9	20%	0.201	46%	0.461	C	S	.	.			trans	-75.4	75.1	-179.1	-57.2	25.1	0	0	0	110.3	L532 F580 F637	L532-W560 HydrophobicContact CB-CZ3 4.1Å; L532-W560 HydrophobicContact CD1-CH2 3.86Å; L532-W560 HydrophobicContact CD1-CZ3 3.57Å; L532-W560 HydrophobicContact CG-CZ3 4.45Å; W560-F580 HydrophobicContact CD2-CB 4.16Å; W560-F580 HydrophobicContact CE3-CB 3.44Å; W560-F580 VanDerWaalsContact CE3-CB 3.44Å; W560-F580 HydrophobicContact CE3-CG 4.48Å; W560-F580 HydrophobicContact CZ3-CB 3.7Å; W560-F580 HydrophobicContact CZ3-CD1 4.19Å; W560-F580 HydrophobicContact CZ3-CG 4.36Å; W560-F637 AromaticContact CH2-CE2 3.97Å; W560-F637 HydrophobicContact CH2-CE2 3.97Å; W560-F637 HydrophobicContact CZ2-CE2 4.4Å
561	C	30.1	Very low	34.2	Very low	77 Å²	77	88.4 Å²	88.4	52%	0.52	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-74.6	133.5	169.6	-69.2	0	0	0	0	109.5	H529 E559	H529-C561 PolarHBondContact ND1-O 2.68Å; E559-C561 PolarHBondContact O-N 2.91Å
562	L	30.1	Very low	34.6	Very low	45 Å²	45	89.2 Å²	89.2	24%	0.236	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-55	142.5	160.9	-80.4	167.5	0	0	0	109.5	Y530 A533 L535 R564	Y530-L562 HydrophobicContact CD1-CD2 4.5Å; A533-L562 HydrophobicContact CB-CD2 3.63Å; A533-L562 HydrophobicContact CB-CG 4.46Å; L535-L562 HydrophobicContact CD1-CD1 4.36Å; L535-L562 HydrophobicContact CD1-CD2 3.81Å; L562-R564 PolarHBondContact O-N 3.12Å
563	P	33.6	Very low	34.9	Very low	44 Å²	44	92.3 Å²	92.3	29%	0.286	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-53.5	117.9	169.2	-23.4	33.7	0	0	0	109.2	T526 L565	T526-P563 HydrophobicContact CG2-CG 3.95Å; P563-L565 PolarHBondContact O-N 3.32Å
564	R	37.5	Very low	34.9	Very low	246 Å²	246	98.5 Å²	98.5	93%	0.928	51%	0.512	S	S	*	.			trans	-63.6	111.8	-178.2	-77.7	-173.5	176	174.4	-1.3	109.2	L562	L562-R564 PolarHBondContact O-N 3.12Å
565	L	35	Very low	35	Very low	74 Å²	74	100.9 Å²	100.9	39%	0.387	53%	0.53	S	S	.	.			trans	-56.6	152.3	172.6	-71.5	165.8	0	0	0	110.6	P563 L573	P563-L565 PolarHBondContact O-N 3.32Å; L565-L573 HydrophobicContact CD1-CD1 3.57Å
566	N	36.3	Very low	35	Very low	114 Å²	114	105.6 Å²	105.6	61%	0.61	55%	0.553	S	S	*	*			trans	-49.6	124.9	-177.4	-172	-23.8	0	0	0	110.5	I568 K569 A570	N566-I568 PolarHBondContact O-N 3.32Å; N566-K569 PolarHBondContact O-N 3.4Å; N566-A570 PolarHBondContact O-N 2.9Å
567	P	36.2	Very low	35.4	Very low	108 Å²	108	106.6 Å²	106.6	70%	0.701	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55	-24.7	-163.4	15.6	-32.1	0	0	0	115.8	K569	P567-K569 VanDerWaalsContact C-N 3.34Å
568	I	40.3	Very low	35.1	Very low	145 Å²	145	102 Å²	102	74%	0.744	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-28.6	178.5	-55.5	175.1	0	0	0	112.1	N566	N566-I568 PolarHBondContact O-N 3.32Å
569	K	36.2	Very low	35	Very low	157 Å²	157	102.8 Å²	102.8	68%	0.683	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-8.5	177.4	-68.1	-174	177.7	-179.4	0	113.8	N566 P567 S571 S572	N566-K569 PolarHBondContact O-N 3.4Å; P567-K569 VanDerWaalsContact C-N 3.34Å; K569-S571 VanDerWaalsContact C-N 3.29Å; K569-S571 PolarHBondContact O-N 3.49Å; K569-S572 PolarHBondContact O-OG 3.5Å
570	A	37.5	Very low	35.3	Very low	37 Å²	37	98.1 Å²	98.1	31%	0.306	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-73	-17.3	-179.9	0	0	0	0	0	114.1	N566 S572 L573	N566-A570 PolarHBondContact O-N 2.9Å; A570-S572 VanDerWaalsContact C-N 3.29Å; A570-S572 PolarHBondContact O-N 2.84Å; A570-L573 CarbonylContact O-C 3.5Å; A570-L573 PolarHBondContact O-N 3.04Å; A570-L573 VanDerWaalsContact O-N 3.17Å
571	S	32.7	Very low	35.6	Very low	97 Å²	97	97.6 Å²	97.6	68%	0.678	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-66	-23.5	-176.7	50.9	0	0	0	0	114.8	K569	K569-S571 VanDerWaalsContact C-N 3.29Å; K569-S571 PolarHBondContact O-N 3.49Å
572	S	35.1	Very low	36	Very low	100 Å²	100	95.5 Å²	95.5	70%	0.699	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-93.5	-9.1	175	57.4	0	0	0	0	113.9	K569 A570	K569-S572 PolarHBondContact O-OG 3.5Å; A570-S572 VanDerWaalsContact C-N 3.29Å; A570-S572 PolarHBondContact O-N 2.84Å
573	L	34.5	Very low	36.5	Very low	103 Å²	103	95.1 Å²	95.1	54%	0.539	54%	0.535	S	S	.	.			trans	-114	64.2	179.9	-72.7	171.3	0	0	0	110.6	L565 A570 S575	L565-L573 HydrophobicContact CD1-CD1 3.57Å; A570-L573 CarbonylContact O-C 3.5Å; A570-L573 PolarHBondContact O-N 3.04Å; A570-L573 VanDerWaalsContact O-N 3.17Å; L573-S575 PolarHBondContact O-N 2.96Å
574	Q	31.7	Very low	37	Very low	188 Å²	188	98.8 Å²	98.8	88%	0.879	54%	0.543	S	S	*	.			trans	-69.7	64.5	155.5	-68.2	-172	-56.8	0	0	109.9
575	S	36	Very low	37.2	Very low	78 Å²	78	87.7 Å²	87.7	55%	0.545	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-74.2	125	165.1	56.9	0	0	0	0	108.7	L573	L573-S575 PolarHBondContact O-N 2.96Å
576	D	34.9	Very low	37.7	Very low	143 Å²	143	85.4 Å²	85.4	77%	0.765	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-49.9	152.7	170.5	-69.7	-58.2	0	0	0	111.6	S578	D576-S578 PolarHBondContact O-N 2.83Å; D576-S578 VanDerWaalsContact O-N 3.14Å
577	P	40.6	Very low	38.4	Very low	120 Å²	120	81.6 Å²	81.6	78%	0.779	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-53.7	124.9	175.8	22.9	-33.8	0	0	0	110.1
578	S	34.3	Very low	39.1	Very low	18 Å²	18	79.2 Å²	79.2	13%	0.126	45%	0.449	C	S	.	.			trans	-44.8	132.5	-179.2	173.2	0	0	0	0	110.8	D576 F580 G581	D576-S578 PolarHBondContact O-N 2.83Å; D576-S578 VanDerWaalsContact O-N 3.14Å; S578-F580 PolarHBondContact O-N 3.3Å; S578-F580 WeakPolarHBondContact OG-CD2 3.48Å; S578-F580 PolarHBondContact OG-N 2.91Å; S578-G581 WeakPolarHBondContact O-CA 3.38Å; S578-G581 PolarHBondContact O-N 2.67Å
579	P	35.6	Very low	40.1	Very low	76 Å²	76	74.6 Å²	74.6	49%	0.494	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-4.3	-178.9	25.8	-33.3	0	0	0	113.5	G581 S640	P579-G581 VanDerWaalsContact C-N 3.33Å; P579-S640 WeakPolarHBondContact O-CB 3.24Å; P579-S640 PolarHBondContact O-OG 2.69Å
580	F	38.8	Very low	41.4	Very low	37 Å²	37	67.8 Å²	67.8	16%	0.162	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-12.2	172	-56.1	-107.9	0	0	0	111.5	L532 W560 S578 G582 F637 I641	L532-F580 HydrophobicContact CB-CD1 4.36Å; L532-F580 HydrophobicContact CB-CE1 4.5Å; L532-F580 WeakPolarHBondContact O-CD1 3.46Å; L532-F580 WeakPolarHBondContact O-CD2 3.42Å; L532-F580 VanDerWaalsContact O-CE1 3.26Å; L532-F580 WeakPolarHBondContact O-CE1 3.2Å; L532-F580 WeakPolarHBondContact O-CE2 3.39Å; L532-F580 WeakPolarHBondContact O-CG 3.21Å; L532-F580 WeakPolarHBondContact O-CZ 3.48Å; W560-F580 HydrophobicContact CD2-CB 4.16Å; W560-F580 HydrophobicContact CE3-CB 3.44Å; W560-F580 VanDerWaalsContact CE3-CB 3.44Å; W560-F580 HydrophobicContact CE3-CG 4.48Å; W560-F580 HydrophobicContact CZ3-CB 3.7Å; W560-F580 HydrophobicContact CZ3-CD1 4.19Å; W560-F580 HydrophobicContact CZ3-CG 4.36Å; S578-F580 PolarHBondContact O-N 3.3Å; S578-F580 WeakPolarHBondContact OG-CD2 3.48Å; S578-F580 PolarHBondContact OG-N 2.91Å; F580-G582 PolarHBondContact O-N 2.91Å; F580-G582 VanDerWaalsContact O-N 3.13Å; F580-F637 AromaticContact CD1-CE2 3.9Å; F580-F637 HydrophobicContact CD1-CE2 3.9Å; F580-F637 AromaticContact CD1-CZ 3.78Å; F580-F637 HydrophobicContact CD1-CZ 3.78Å; F580-F637 HydrophobicContact CE1-CZ 4.13Å; F580-I641 HydrophobicContact CD1-CG2 3.88Å; F580-I641 HydrophobicContact CD2-CG2 4.31Å; F580-I641 HydrophobicContact CE1-CG2 3.43Å; F580-I641 VanDerWaalsContact CE1-CG2 3.43Å; F580-I641 HydrophobicContact CE2-CG2 3.87Å; F580-I641 HydrophobicContact CG-CG2 4.3Å; F580-I641 HydrophobicContact CZ-CG2 3.4Å; F580-I641 VanDerWaalsContact CZ-CG2 3.4Å
581	G	40.8	Very low	42.7	Very low	42 Å²	42	67.1 Å²	67.1	43%	0.433	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	104.2	175.2	0	0	0	0	0	114.4	S578 P579	S578-G581 WeakPolarHBondContact O-CA 3.38Å; S578-G581 PolarHBondContact O-N 2.67Å; P579-G581 VanDerWaalsContact C-N 3.33Å
582	G	39.2	Very low	44.2	Very low	33 Å²	33	62.8 Å²	62.8	34%	0.34	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	102	20.1	163	0	0	0	0	0	115.9	F580 R584	F580-G582 PolarHBondContact O-N 2.91Å; F580-G582 VanDerWaalsContact O-N 3.13Å; G582-R584 PolarHBondContact O-N 2.75Å
583	Y	40	Very low	45.5	Very low	38 Å²	38	61.2 Å²	61.2	15%	0.149	34%	0.336	C	S	.	.			trans	-61.7	124.3	172	-178.1	-116.7	0	0	0	112.2	C635 Q636 F637 L659 T660	Y583-C635 HydrophobicContact CE2-CB 4.29Å; Y583-Q636 HydrophobicContact CD2-CB 4.06Å; Y583-Q636 HydrophobicContact CE2-CB 4.24Å; Y583-F637 HydrophobicContact CD1-CB 4.43Å; Y583-F637 HydrophobicContact CD1-CD2 4.35Å; Y583-F637 HydrophobicContact CD2-CB 3.6Å; Y583-F637 HydrophobicContact CD2-CD2 4.49Å; Y583-F637 HydrophobicContact CE2-CB 3.76Å; Y583-F637 HydrophobicContact CG-CB 3.93Å; Y583-F637 HydrophobicContact CG-CD2 4Å; Y583-F637 HydrophobicContact CG-CG 4.43Å; Y583-L659 HydrophobicContact CD1-CD1 4.32Å; Y583-L659 HydrophobicContact CE1-CB 4.27Å; Y583-L659 HydrophobicContact CE1-CD1 3.9Å; Y583-L659 HydrophobicContact CE1-CD2 4.36Å; Y583-L659 HydrophobicContact CE1-CG 4.42Å; Y583-T660 PolarHBondContact OH-O 3.2Å
584	R	43.1	Very low	46.4	Very low	121 Å²	121	62.9 Å²	62.9	46%	0.457	35%	0.345	S	S	.	.			trans	-119.4	109.8	173.7	-57.9	177.2	-179.3	-172.4	-0.1	108	G582 H662	G582-R584 PolarHBondContact O-N 2.75Å; R584-H662 WeakPolarHBondContact CB-NE2 3.44Å; R584-H662 WeakPolarHBondContact O-CA 3.29Å; R584-H662 WeakPolarHBondContact O-CB 3.31Å; R584-H662 PolarHBondContact O-ND1 3.17Å
585	G	42	Very low	47.5	Very low	12 Å²	12	59.3 Å²	59.3	12%	0.124	33%	0.329	C	S	.	.			trans	-168.2	159.8	-179.3	0	0	0	0	0	112	P515 T660	P515-G585 VanDerWaalsContact CG-O 3.23Å; P515-G585 WeakPolarHBondContact CG-O 3.28Å; G585-T660 WeakPolarHBondContact CA-O 3.45Å
586	N	47	Very low	48	Very low	26 Å²	26	58.1 Å²	58.1	14%	0.139	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	141.7	175.7	-51.4	-38.2	0	0	0	109.1	T660	N586-T660 WeakPolarHBondContact CB-OG1 3.38Å; N586-T660 PolarHBondContact N-O 3.3Å; N586-T660 PolarHBondContact O-N 3.19Å; N586-T660 PolarHBondContact O-OG1 2.91Å
587	Y	49.6	Very low	48.8	Very low	34 Å²	34	55.1 Å²	55.1	13%	0.133	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	156.6	169.8	78.1	-90.1	0	0	0	110.9	F497 P515 C516 L517 I657 L658	F497-Y587 HydrophobicContact CD2-CE2 4.33Å; F497-Y587 HydrophobicContact CE2-CE2 4.49Å; P515-Y587 HydrophobicContact CB-CD1 3.85Å; P515-Y587 HydrophobicContact CB-CE1 3.83Å; C516-Y587 VanDerWaalsContact O-CE1 3.32Å; C516-Y587 WeakPolarHBondContact O-CE1 3.3Å; C516-Y587 PolarHBondContact O-OH 3.4Å; L517-Y587 HydrophobicContact CD1-CD1 4.22Å; L517-Y587 HydrophobicContact CD1-CE1 4.21Å; L517-Y587 HydrophobicContact CD1-CG 4.4Å; Y587-I657 HydrophobicContact CD2-CG2 4.17Å; Y587-I657 HydrophobicContact CG-CG2 4.44Å; Y587-L658 VanDerWaalsContact CA-O 3.28Å; Y587-L658 WeakPolarHBondContact CA-O 3.42Å
588	F	51.6	Low	49.3	Very low	59 Å²	59	51.5 Å²	51.5	26%	0.259	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	137.9	168.1	-61.4	-92.9	0	0	0	109	I494 I657 L658 T660	I494-F588 HydrophobicContact CG2-CD1 4.24Å; F588-I657 WeakPolarHBondContact O-CA 3.49Å; F588-L658 HydrophobicContact CB-CB 4.36Å; F588-L658 HydrophobicContact CD2-CD2 4.45Å; F588-L658 PolarHBondContact N-O 2.87Å; F588-L658 PolarHBondContact O-N 3.48Å; F588-T660 HydrophobicContact CD2-CG2 4.1Å; F588-T660 HydrophobicContact CE2-CG2 3.96Å
589	R	60.8	Low	50.6	Low	48 Å²	48	53.6 Å²	53.6	18%	0.181	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	124.9	163.5	-172.5	-176.9	-175	177.3	5.2	107.6	F497 T591 H655 A656	F497-R589 HydrophobicContact CE2-CB 4.27Å; R589-T591 PolarHBondContact NE-OG1 2.95Å; R589-H655 PolarHBondContact NH2-CE1 3.34Å; R589-H655 PolarHBondContact NH2-NE2 3.42Å; R589-A656 WeakPolarHBondContact CA-O 3.4Å
590	L	63	Low	52	Low	13 Å²	13	54.6 Å²	54.6	7%	0.068	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	125.6	165.8	-54.2	175.7	0	0	0	106.5	L479 V492 I494 F630 H655 A656	L479-L590 HydrophobicContact CD1-CD1 4.33Å; V492-L590 HydrophobicContact CG2-CD2 4.32Å; I494-L590 HydrophobicContact CG1-CD2 4.1Å; L590-F630 HydrophobicContact CD1-CD2 4.48Å; L590-F630 HydrophobicContact CD1-CE2 4.31Å; L590-H655 CarbonylContact O-C 3.59Å; L590-H655 WeakPolarHBondContact O-CA 3.46Å; L590-A656 HydrophobicContact CB-CB 4.26Å; L590-A656 HydrophobicContact CD1-CB 4.44Å; L590-A656 PolarHBondContact N-O 2.87Å; L590-A656 PolarHBondContact O-N 2.89Å
591	T	65.4	Low	53.4	Low	23 Å²	23	56.2 Å²	56.2	14%	0.141	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138.1	177.9	-67.6	0	0	0	0	109.8	V492 E493 R589 H593 H655	V492-T591 WeakPolarHBondContact CA-O 3.31Å; E493-T591 PolarHBondContact N-O 3.49Å; E493-T591 PolarHBondContact O-N 2.77Å; E493-T591 VanDerWaalsContact O-N 3.17Å; R589-T591 PolarHBondContact NE-OG1 2.95Å; T591-H593 PolarHBondContact O-N 2.92Å; T591-H655 PolarHBondContact OG1-ND1 2.97Å
592	L	64.6	Low	54.7	Low	7 Å²	7	57 Å²	57	4%	0.037	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	125.3	167.8	-67.5	-175.5	0	0	0	110.1	L490 D594 R599 R600 M603 L654	L490-L592 HydrophobicContact CD1-CD2 3.31Å; L490-L592 HydrophobicContact CD2-CD2 3.89Å; L490-L592 HydrophobicContact CG-CD2 3.92Å; L592-D594 PolarHBondContact O-N 2.82Å; L592-R599 HydrophobicContact CD1-CB 4.04Å; L592-R599 HydrophobicContact CD2-CB 4.15Å; L592-R600 HydrophobicContact CD1-CG 4.39Å; L592-M603 HydrophobicContact CD1-CB 4.07Å; L592-M603 HydrophobicContact CD2-CB 4.26Å; L592-M603 HydrophobicContact CD2-CE 3.9Å; L592-M603 HydrophobicContact CG-CB 4.47Å; L592-M603 HydrophobicContact CG-CE 4.03Å; L592-L654 HydrophobicContact CD1-CD2 4.33Å; L592-L654 PolarHBondContact N-O 3.3Å
593	H	61.6	Low	56	Low	67 Å²	67	55.5 Å²	55.5	31%	0.31	30%	0.296	S	S	.	.			trans	-69.7	115.2	175	-169.1	-82.4	0	0	0	110	T591 E595	T591-H593 PolarHBondContact O-N 2.92Å; H593-E595 IonicContact CE1-OE1 3.75Å; H593-E595 PolarHBondContact O-N 3.06Å
594	D	54.1	Low	57.4	Low	137 Å²	137	54.3 Å²	54.3	73%	0.733	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	7.3	-157.3	-121.8	-9.6	0	0	0	116.3	L592 S596	L592-D594 PolarHBondContact O-N 2.82Å; D594-S596 PolarHBondContact O-N 3.4Å; D594-S596 VanDerWaalsContact O-N 3.1Å
595	E	53.7	Low	58.7	Low	114 Å²	114	52 Å²	52	53%	0.533	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-6	-179	-86.6	-167.9	-160.4	0	0	114.9	R419 H593	R419-E595 IonicContact NH2-OE2 3.73Å; R419-E595 PolarHBondContact NH2-OE2 2.96Å; H593-E595 IonicContact CE1-OE1 3.75Å; H593-E595 PolarHBondContact O-N 3.06Å
596	S	47.4	Very low	60.1	Low	53 Å²	53	51.9 Å²	51.9	37%	0.371	29%	0.286	S	S	.	.			trans	-157.6	112.5	-178.5	50.4	0	0	0	0	114	D594 G598 R599	D594-S596 PolarHBondContact O-N 3.4Å; D594-S596 VanDerWaalsContact O-N 3.1Å; S596-G598 PolarHBondContact O-N 3.15Å; S596-R599 PolarHBondContact O-N 2.84Å
597	G	51.2	Low	61.2	Low	79 Å²	79	50.7 Å²	50.7	81%	0.814	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-0.1	-177.2	0	0	0	0	0	116.9
598	G	52.5	Low	62.2	Low	45 Å²	45	54.1 Å²	54.1	46%	0.464	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-23.6	174.7	0	0	0	0	0	114.5	S596 R600 T601	S596-G598 PolarHBondContact O-N 3.15Å; G598-R600 VanDerWaalsContact C-N 3.28Å; G598-R600 PolarHBondContact O-N 3.12Å; G598-R600 VanDerWaalsContact O-N 3.17Å; G598-T601 WeakPolarHBondContact O-CB 3.21Å; G598-T601 PolarHBondContact O-N 2.93Å; G598-T601 PolarHBondContact O-OG1 3Å
599	R	60.9	Low	63	Low	62 Å²	62	52.6 Å²	52.6	23%	0.234	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-12.8	-167.1	-64.3	-153	168.5	139.6	2	116.2	L490 L592 S596 T601 E602 M603	L490-R599 HydrophobicContact CD1-CB 4.36Å; L592-R599 HydrophobicContact CD1-CB 4.04Å; L592-R599 HydrophobicContact CD2-CB 4.15Å; S596-R599 PolarHBondContact O-N 2.84Å; R599-T601 PolarHBondContact O-N 3.09Å; R599-E602 VanDerWaalsContact CD-OE2 3.26Å; R599-E602 WeakPolarHBondContact CD-OE2 3.33Å; R599-E602 WeakPolarHBondContact CG-OE2 3.08Å; R599-E602 IonicContact NE-OE2 3.62Å; R599-E602 PolarHBondContact NE-OE2 3.5Å; R599-E602 WeakPolarHBondContact O-CB 3.32Å; R599-E602 PolarHBondContact O-N 3.47Å; R599-M603 PolarHBondContact O-N 3.23Å
600	R	65.2	Low	63.3	Low	97 Å²	97	51.9 Å²	51.9	37%	0.366	29%	0.294	S	S	.	.	H	α-helix	trans	-58	-34.6	171.7	-58.8	-173.7	-177.9	-170.9	-1.2	111.5	L592 G598 M603 A604 R651 N652 L654	L592-R600 HydrophobicContact CD1-CG 4.39Å; G598-R600 VanDerWaalsContact C-N 3.28Å; G598-R600 PolarHBondContact O-N 3.12Å; G598-R600 VanDerWaalsContact O-N 3.17Å; R600-M603 PolarHBondContact O-N 3.16Å; R600-A604 PolarHBondContact O-N 2.97Å; R600-R651 VanDerWaalsContact CB-O 3.32Å; R600-R651 WeakPolarHBondContact CB-O 3.36Å; R600-N652 PolarHBondContact NH1-OD1 3.36Å; R600-N652 VanDerWaalsContact NH1-OD1 3.1Å; R600-L654 HydrophobicContact CG-CD2 4.05Å
601	T	67.9	Low	63.5	Low	71 Å²	71	53.5 Å²	53.5	44%	0.436	30%	0.302	S	S	.	.	H	α-helix	trans	-65	-38.9	174.3	-32.1	0	0	0	0	112.2	G598 R599 A604 Q605	G598-T601 WeakPolarHBondContact O-CB 3.21Å; G598-T601 PolarHBondContact O-N 2.93Å; G598-T601 PolarHBondContact O-OG1 3Å; R599-T601 PolarHBondContact O-N 3.09Å; T601-A604 PolarHBondContact O-N 2.64Å; T601-Q605 WeakPolarHBondContact O-CB 3.49Å; T601-Q605 VanDerWaalsContact O-CG 3.26Å; T601-Q605 WeakPolarHBondContact O-CG 3.24Å; T601-Q605 PolarHBondContact O-N 3.02Å
602	E	67.2	Low	63.8	Low	59 Å²	59	58.6 Å²	58.6	28%	0.276	33%	0.328	S	S	.	.	H	α-helix	trans	-69.2	-37.7	177	-60	167.4	-173.8	0	0	110.9	W481 L490 R599 Q605 L606	W481-E602 WeakPolarHBondContact CH2-O 3.47Å; L490-E602 HydrophobicContact CD1-CB 3.52Å; L490-E602 WeakPolarHBondContact CD1-OE2 3.49Å; R599-E602 VanDerWaalsContact CD-OE2 3.26Å; R599-E602 WeakPolarHBondContact CD-OE2 3.33Å; R599-E602 WeakPolarHBondContact CG-OE2 3.08Å; R599-E602 IonicContact NE-OE2 3.62Å; R599-E602 PolarHBondContact NE-OE2 3.5Å; R599-E602 WeakPolarHBondContact O-CB 3.32Å; R599-E602 PolarHBondContact O-N 3.47Å; E602-Q605 PolarHBondContact O-N 2.91Å; E602-L606 PolarHBondContact O-N 3.26Å
603	M	66.9	Low	64	Low	0 Å²	0	61.3 Å²	61.3	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-64.5	-45.4	171.3	-176.1	63.2	83.6	0	0	111.5	L490 L592 R599 R600 Q605 L606 C607 F653 A656	L490-M603 HydrophobicContact CD2-CB 4.49Å; L490-M603 HydrophobicContact CD2-CE 4.09Å; L490-M603 HydrophobicContact CD2-SD 4.14Å; L592-M603 HydrophobicContact CD1-CB 4.07Å; L592-M603 HydrophobicContact CD2-CB 4.26Å; L592-M603 HydrophobicContact CD2-CE 3.9Å; L592-M603 HydrophobicContact CG-CB 4.47Å; L592-M603 HydrophobicContact CG-CE 4.03Å; R599-M603 PolarHBondContact O-N 3.23Å; R600-M603 PolarHBondContact O-N 3.16Å; M603-Q605 VanDerWaalsContact C-N 3.3Å; M603-Q605 PolarHBondContact O-N 3.39Å; M603-L606 WeakPolarHBondContact O-CB 3.36Å; M603-L606 PolarHBondContact O-N 3.48Å; M603-L606 VanDerWaalsContact O-N 3.14Å; M603-L606 HydrophobicContact SD-CD2 4.19Å; M603-C607 PolarHBondContact O-N 2.84Å; M603-C607 PolarHBondContact O-SG 3.38Å; M603-F653 HydrophobicContact CG-CB 4.08Å; M603-A656 HydrophobicContact CE-CB 4.3Å; M603-A656 HydrophobicContact SD-CB 4.35Å
604	A	69.5	Low	64.1	Low	14 Å²	14	61.6 Å²	61.6	12%	0.116	36%	0.361	C	S	.	.	H	α-helix	trans	-59.7	-40.9	175.4	0	0	0	0	0	111.8	R600 T601 C607 Q608	R600-A604 PolarHBondContact O-N 2.97Å; T601-A604 PolarHBondContact O-N 2.64Å; A604-C607 PolarHBondContact O-N 3.05Å; A604-Q608 WeakPolarHBondContact O-CB 3.21Å; A604-Q608 PolarHBondContact O-N 2.9Å
605	Q	71.3	Confident	64.5	Low	71 Å²	71	60.3 Å²	60.3	33%	0.332	35%	0.352	S	S	.	.	H	α-helix	trans	-63.8	-39.3	172.9	-74	167.4	-3	0	0	112.8	W481 Y488 T601 E602 M603 A609	W481-Q605 HydrophobicContact CZ2-CB 3.94Å; Y488-Q605 VanDerWaalsContact CD1-OE1 3.25Å; T601-Q605 WeakPolarHBondContact O-CB 3.49Å; T601-Q605 VanDerWaalsContact O-CG 3.26Å; T601-Q605 WeakPolarHBondContact O-CG 3.24Å; T601-Q605 PolarHBondContact O-N 3.02Å; E602-Q605 PolarHBondContact O-N 2.91Å; M603-Q605 VanDerWaalsContact C-N 3.3Å; M603-Q605 PolarHBondContact O-N 3.39Å; Q605-A609 VanDerWaalsContact O-CB 3.23Å; Q605-A609 WeakPolarHBondContact O-CB 3.45Å; Q605-A609 PolarHBondContact O-N 3.3Å
606	L	70.4	Confident	65.1	Low	11 Å²	11	55 Å²	55	6%	0.058	33%	0.328	C	S	.	.	H	α-helix	trans	-63.9	-46.8	174.1	175.4	61.4	0	0	0	111.2	L479 W481 L490 E602 M603 Q608 A609 L610	L479-L606 HydrophobicContact CD1-CD2 3.74Å; W481-L606 HydrophobicContact CD2-CD1 4.16Å; W481-L606 HydrophobicContact CE3-CD1 3.9Å; W481-L606 HydrophobicContact CH2-CB 3.67Å; W481-L606 HydrophobicContact CH2-CD1 4.4Å; W481-L606 HydrophobicContact CZ2-CB 3.77Å; W481-L606 HydrophobicContact CZ3-CB 4.13Å; W481-L606 HydrophobicContact CZ3-CD1 4.03Å; L490-L606 HydrophobicContact CD2-CB 4.46Å; L490-L606 HydrophobicContact CD2-CD2 3.72Å; E602-L606 PolarHBondContact O-N 3.26Å; M603-L606 WeakPolarHBondContact O-CB 3.36Å; M603-L606 PolarHBondContact O-N 3.48Å; M603-L606 VanDerWaalsContact O-N 3.14Å; M603-L606 HydrophobicContact SD-CD2 4.19Å; L606-Q608 VanDerWaalsContact C-N 3.35Å; L606-Q608 PolarHBondContact O-N 3.46Å; L606-A609 PolarHBondContact O-N 2.92Å; L606-L610 HydrophobicContact CD1-CD1 3.98Å; L606-L610 HydrophobicContact CD1-CG 4.14Å; L606-L610 HydrophobicContact CG-CD1 4.03Å; L606-L610 WeakPolarHBondContact O-CG 3.35Å; L606-L610 PolarHBondContact O-N 3.11Å
607	C	69.7	Low	66	Low	0 Å²	0	53 Å²	53	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-59.1	-48.2	178	-62.5	0	0	0	0	110.6	M603 A604 A609 L610 Q611 V618 I628 F630 L649	M603-C607 PolarHBondContact O-N 2.84Å; M603-C607 PolarHBondContact O-SG 3.38Å; A604-C607 PolarHBondContact O-N 3.05Å; C607-A609 VanDerWaalsContact C-N 3.34Å; C607-A609 PolarHBondContact O-N 3.34Å; C607-L610 PolarHBondContact O-N 3.43Å; C607-Q611 WeakPolarHBondContact O-CB 3.22Å; C607-Q611 PolarHBondContact O-N 3.03Å; C607-V618 HydrophobicContact CB-CG1 4.22Å; C607-I628 HydrophobicContact CB-CD1 4.24Å; C607-F630 HydrophobicContact CB-CE1 4.17Å; C607-F630 HydrophobicContact CB-CZ 4.41Å; C607-F630 WeakPolarHBondContact SG-CZ 3.27Å; C607-L649 HydrophobicContact CB-CD1 3.64Å
608	Q	71.1	Confident	66.9	Low	106 Å²	106	49.5 Å²	49.5	50%	0.495	28%	0.278	S	S	.	.	H	α-helix	trans	-68.4	-31.2	178.6	-164.2	161.5	37.2	0	0	112.5	A604 L606 N612	A604-Q608 WeakPolarHBondContact O-CB 3.21Å; A604-Q608 PolarHBondContact O-N 2.9Å; L606-Q608 VanDerWaalsContact C-N 3.35Å; L606-Q608 PolarHBondContact O-N 3.46Å; Q608-N612 WeakPolarHBondContact O-CB 3.33Å; Q608-N612 PolarHBondContact O-N 3.26Å; Q608-N612 PolarHBondContact O-ND2 3.32Å
609	A	69	Low	67.7	Low	27 Å²	27	48.3 Å²	48.3	22%	0.223	26%	0.262	C	S	.	.	H	α-helix	trans	-68.3	-40.6	172.1	0	0	0	0	0	112.7	W481 Q605 L606 C607 S613	W481-A609 VanDerWaalsContact CD1-CB 3.5Å; W481-A609 HydrophobicContact CG-CB 4.31Å; Q605-A609 VanDerWaalsContact O-CB 3.23Å; Q605-A609 WeakPolarHBondContact O-CB 3.45Å; Q605-A609 PolarHBondContact O-N 3.3Å; L606-A609 PolarHBondContact O-N 2.92Å; C607-A609 VanDerWaalsContact C-N 3.34Å; C607-A609 PolarHBondContact O-N 3.34Å; A609-S613 VanDerWaalsContact O-CB 3.32Å; A609-S613 WeakPolarHBondContact O-CB 3.48Å; A609-S613 PolarHBondContact O-N 3.04Å; A609-S613 PolarHBondContact O-OG 3.13Å
610	L	67.4	Low	68	Low	34 Å²	34	47.7 Å²	47.7	18%	0.178	27%	0.266	C	S	.	.	H	α-helix	trans	-67.9	-36.6	175.4	-71.5	170.4	0	0	0	112.2	L606 C607 S613 A614 M615 F630	L606-L610 HydrophobicContact CD1-CD1 3.98Å; L606-L610 HydrophobicContact CD1-CG 4.14Å; L606-L610 HydrophobicContact CG-CD1 4.03Å; L606-L610 WeakPolarHBondContact O-CG 3.35Å; L606-L610 PolarHBondContact O-N 3.11Å; C607-L610 PolarHBondContact O-N 3.43Å; L610-S613 WeakPolarHBondContact CA-OG 3.46Å; L610-S613 PolarHBondContact O-OG 3.43Å; L610-A614 PolarHBondContact O-N 2.57Å; L610-M615 HydrophobicContact CD2-CB 4.15Å; L610-M615 PolarHBondContact O-N 2.82Å; L610-M615 VanDerWaalsContact O-N 3.1Å; L610-F630 HydrophobicContact CD1-CD1 4.01Å; L610-F630 HydrophobicContact CD1-CD2 4.29Å; L610-F630 HydrophobicContact CD1-CE1 3.7Å; L610-F630 HydrophobicContact CD1-CE2 3.98Å; L610-F630 HydrophobicContact CD1-CG 4.3Å; L610-F630 HydrophobicContact CD1-CZ 3.67Å
611	Q	67.5	Low	67.9	Low	47 Å²	47	43.7 Å²	43.7	22%	0.22	25%	0.252	C	S	.	.	H	α-helix	trans	-66.4	-50.7	172.5	-171.6	176.8	12.7	0	0	111.4	C607 S613 A614 V618 V646	C607-Q611 WeakPolarHBondContact O-CB 3.22Å; C607-Q611 PolarHBondContact O-N 3.03Å; Q611-S613 VanDerWaalsContact C-N 3.29Å; Q611-S613 PolarHBondContact O-N 3.24Å; Q611-A614 PolarHBondContact O-N 3.34Å; Q611-V618 HydrophobicContact CB-CG2 3.96Å; Q611-V646 PolarHBondContact NE2-O 2.97Å
612	N	71.5	Confident	67.1	Low	130 Å²	130	44.9 Å²	44.9	70%	0.695	26%	0.261	S	S	*	.	H	α-helix	trans	-64.3	-30.6	-179.8	-75.7	-21.3	0	0	0	113.4	Q608 A614	Q608-N612 WeakPolarHBondContact O-CB 3.33Å; Q608-N612 PolarHBondContact O-N 3.26Å; Q608-N612 PolarHBondContact O-ND2 3.32Å; N612-A614 VanDerWaalsContact C-N 3.33Å
613	S	68.7	Low	66.2	Low	63 Å²	63	43 Å²	43	44%	0.441	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-3.9	174.5	57.1	0	0	0	0	113.7	A609 L610 Q611 M615	A609-S613 VanDerWaalsContact O-CB 3.32Å; A609-S613 WeakPolarHBondContact O-CB 3.48Å; A609-S613 PolarHBondContact O-N 3.04Å; A609-S613 PolarHBondContact O-OG 3.13Å; L610-S613 WeakPolarHBondContact CA-OG 3.46Å; L610-S613 PolarHBondContact O-OG 3.43Å; Q611-S613 VanDerWaalsContact C-N 3.29Å; Q611-S613 PolarHBondContact O-N 3.24Å; S613-M615 PolarHBondContact O-N 3.47Å; S613-M615 VanDerWaalsContact O-N 3.11Å; S613-M615 WeakPolarHBondContact OG-CG 3.04Å
614	A	64	Low	65.8	Low	73 Å²	73	44 Å²	44	60%	0.603	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	22.2	-172.8	0	0	0	0	0	114.5	L610 Q611 N612	L610-A614 PolarHBondContact O-N 2.57Å; Q611-A614 PolarHBondContact O-N 3.34Å; N612-A614 VanDerWaalsContact C-N 3.33Å
615	M	61.4	Low	65.4	Low	110 Å²	110	51 Å²	51	54%	0.542	29%	0.289	S	S	.	.	S	Bend	trans	-74.5	-29.6	-179.3	-73.3	-176.5	65.3	0	0	112.5	L610 S613 F632 P633	L610-M615 HydrophobicContact CD2-CB 4.15Å; L610-M615 PolarHBondContact O-N 2.82Å; L610-M615 VanDerWaalsContact O-N 3.1Å; S613-M615 PolarHBondContact O-N 3.47Å; S613-M615 VanDerWaalsContact O-N 3.11Å; S613-M615 WeakPolarHBondContact OG-CG 3.04Å; M615-F632 VanDerWaalsContact O-CD1 3.24Å; M615-F632 WeakPolarHBondContact O-CD1 3.47Å; M615-P633 VanDerWaalsContact O-CD 3.26Å; M615-P633 WeakPolarHBondContact O-CD 3.39Å
616	A	65.6	Low	65.2	Low	4 Å²	4	48.1 Å²	48.1	3%	0.033	28%	0.277	C	S	.	.	S	Bend	trans	-141.5	139.5	171.8	0	0	0	0	0	110.4	F630 L631	A616-F630 HydrophobicContact CB-CB 4.13Å; A616-F630 HydrophobicContact CB-CD1 4.48Å; A616-L631 CarbonylContact C-O 3.15Å; A616-L631 WeakPolarHBondContact CA-O 3.47Å
617	G	67.2	Low	65	Low	10 Å²	10	48.3 Å²	48.3	10%	0.103	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	132.5	156	0	0	0	0	0	108.9	L631	G617-L631 PolarHBondContact N-O 3.46Å; G617-L631 PolarHBondContact O-N 2.9Å
618	V	69.6	Low	65.1	Low	5 Å²	5	48.3 Å²	48.3	3%	0.03	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	119	-176.8	-175	0	0	0	0	107.9	C607 Q611 I628 F630 L649	C607-V618 HydrophobicContact CB-CG1 4.22Å; Q611-V618 HydrophobicContact CB-CG2 3.96Å; V618-I628 HydrophobicContact CG1-CD1 3.26Å; V618-I628 HydrophobicContact CG1-CG1 3.76Å; V618-F630 HydrophobicContact CG1-CD1 4.34Å; V618-F630 HydrophobicContact CG1-CE1 4.12Å; V618-F630 HydrophobicContact CG2-CD1 4.05Å; V618-F630 HydrophobicContact CG2-CE1 4.11Å; V618-L649 HydrophobicContact CG1-CD1 4.22Å; V618-L649 HydrophobicContact CG1-CD2 4.03Å
619	V	69.7	Low	65.3	Low	21 Å²	21	43.9 Å²	43.9	13%	0.127	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	116.9	-176.2	-179.7	0	0	0	0	108.8	I628 M629 L631 P644	V619-I628 WeakPolarHBondContact O-CG1 3.2Å; V619-M629 HydrophobicContact CB-CB 4.48Å; V619-M629 HydrophobicContact CB-CE 4.22Å; V619-M629 HydrophobicContact CG1-CE 4.18Å; V619-M629 PolarHBondContact N-O 3.48Å; V619-M629 PolarHBondContact O-N 2.74Å; V619-L631 HydrophobicContact CG2-CD1 3.68Å; V619-P644 HydrophobicContact CG2-CG 4.2Å
620	P	67.8	Low	65.4	Low	48 Å²	48	42.7 Å²	42.7	31%	0.312	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	142.1	171.6	29.9	-34	0	0	0	109.2	P622 V646 F653	P620-P622 WeakPolarHBondContact O-CD 3.39Å; P620-V646 HydrophobicContact CG-CG1 4.28Å; P620-V646 HydrophobicContact CG-CG2 4.34Å; P620-F653 HydrophobicContact CB-CE1 4.11Å; P620-F653 HydrophobicContact CB-CZ 4.12Å
621	M	63.3	Low	65.5	Low	13 Å²	13	41.1 Å²	41.1	6%	0.064	24%	0.24	C	C	.	.			trans	-82	113.1	176.3	-67.7	-61	-59.6	0	0	108.7	C623 D624 S627 M629	M621-C623 PolarHBondContact O-N 2.86Å; M621-C623 VanDerWaalsContact O-N 3.11Å; M621-D624 CarbonylContact O-C 3.44Å; M621-D624 PolarHBondContact O-N 3.46Å; M621-D624 VanDerWaalsContact O-O 3.11Å; M621-S627 WeakPolarHBondContact CB-O 3.44Å; M621-S627 PolarHBondContact N-O 3.07Å; M621-M629 HydrophobicContact CG-CB 4.44Å; M621-M629 HydrophobicContact SD-CB 3.76Å; M621-M629 HydrophobicContact SD-CE 4.07Å; M621-M629 HydrophobicContact SD-SD 4.27Å
622	P	50.9	Low	65.4	Low	96 Å²	96	41.7 Å²	41.7	62%	0.623	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-23	-178.1	26.7	-35.2	0	0	0	112.5	P620	P620-P622 WeakPolarHBondContact O-CD 3.39Å
623	C	47.6	Very low	64.9	Low	20 Å²	20	38.3 Å²	38.3	14%	0.135	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-11	177.7	63.5	0	0	0	0	115	V523 L528 M621	V523-C623 HydrophobicContact CB-CB 4.16Å; V523-C623 HydrophobicContact CG1-CB 3.91Å; V523-C623 HydrophobicContact CG2-CB 3.8Å; V523-C623 WeakPolarHBondContact CG2-O 3.42Å; L528-C623 HydrophobicContact CD1-CB 4.33Å; M621-C623 PolarHBondContact O-N 2.86Å; M621-C623 VanDerWaalsContact O-N 3.11Å
624	D	59.2	Low	64.4	Low	22 Å²	22	40.3 Å²	40.3	12%	0.118	23%	0.23	C	C	.	.			trans	-162.5	106.7	179	172.4	23	0	0	0	110.7	R521 M621 S626 S627	R521-D624 IonicContact NH1-OD1 2.74Å; M621-D624 CarbonylContact O-C 3.44Å; M621-D624 PolarHBondContact O-N 3.46Å; M621-D624 VanDerWaalsContact O-O 3.11Å; D624-S626 VanDerWaalsContact CG-OG 3.27Å; D624-S626 PolarHBondContact O-N 2.96Å; D624-S626 WeakPolarHBondContact OD1-CA 3.47Å; D624-S626 WeakPolarHBondContact OD1-CB 3.37Å; D624-S626 PolarHBondContact OD1-N 3.19Å; D624-S626 PolarHBondContact OD1-OG 3.2Å; D624-S626 PolarHBondContact OD2-OG 3.21Å; D624-S627 PolarHBondContact O-N 3.23Å; D624-S627 VanDerWaalsContact OD2-CB 3.26Å; D624-S627 WeakPolarHBondContact OD2-CB 3.5Å; D624-S627 PolarHBondContact OD2-OG 3Å
625	E	61.6	Low	64.2	Low	159 Å²	159	36.8 Å²	36.8	74%	0.743	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-22.5	175.8	-62.4	-178.9	-177.8	0	0	113.7	S627 F653	E625-S627 VanDerWaalsContact C-N 3.35Å; E625-F653 VanDerWaalsContact O-CD1 3.28Å; E625-F653 WeakPolarHBondContact O-CD1 3.24Å; E625-F653 WeakPolarHBondContact O-CE1 3.44Å
626	S	65.3	Low	63.9	Low	12 Å²	12	37 Å²	37	8%	0.084	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	2.3	177	74.5	0	0	0	0	114	R521 D624 L654 H655	R521-S626 PolarHBondContact NH1-OG 3.43Å; D624-S626 VanDerWaalsContact CG-OG 3.27Å; D624-S626 PolarHBondContact O-N 2.96Å; D624-S626 WeakPolarHBondContact OD1-CA 3.47Å; D624-S626 WeakPolarHBondContact OD1-CB 3.37Å; D624-S626 PolarHBondContact OD1-N 3.19Å; D624-S626 PolarHBondContact OD1-OG 3.2Å; D624-S626 PolarHBondContact OD2-OG 3.21Å; S626-L654 PolarHBondContact O-N 2.88Å; S626-H655 PolarHBondContact O-N 3.1Å
627	S	67	Low	63.4	Low	14 Å²	14	36.9 Å²	36.9	10%	0.098	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	140.2	179.6	-74.1	0	0	0	0	113.7	M621 D624 E625 H655	M621-S627 WeakPolarHBondContact CB-O 3.44Å; M621-S627 PolarHBondContact N-O 3.07Å; D624-S627 PolarHBondContact O-N 3.23Å; D624-S627 VanDerWaalsContact OD2-CB 3.26Å; D624-S627 WeakPolarHBondContact OD2-CB 3.5Å; D624-S627 PolarHBondContact OD2-OG 3Å; E625-S627 VanDerWaalsContact C-N 3.35Å; S627-H655 WeakPolarHBondContact CA-O 3.45Å
628	I	71.5	Confident	63.1	Low	0 Å²	0	37 Å²	37	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	152.8	175.7	-157.4	163.6	0	0	0	111.5	C607 V618 V619 F630 L649 F653 H655 A656 I657	C607-I628 HydrophobicContact CB-CD1 4.24Å; V618-I628 HydrophobicContact CG1-CD1 3.26Å; V618-I628 HydrophobicContact CG1-CG1 3.76Å; V619-I628 WeakPolarHBondContact O-CG1 3.2Å; I628-F630 HydrophobicContact CG2-CE1 4.42Å; I628-F630 HydrophobicContact CG2-CZ 4.24Å; I628-L649 HydrophobicContact CD1-CD2 3.83Å; I628-F653 HydrophobicContact CB-CD1 3.85Å; I628-F653 HydrophobicContact CB-CE1 4.17Å; I628-F653 HydrophobicContact CB-CG 4.11Å; I628-F653 HydrophobicContact CD1-CD1 4.34Å; I628-F653 HydrophobicContact CD1-CD2 3.92Å; I628-F653 HydrophobicContact CD1-CE1 4.18Å; I628-F653 HydrophobicContact CD1-CE2 3.75Å; I628-F653 HydrophobicContact CD1-CG 4.22Å; I628-F653 HydrophobicContact CD1-CZ 3.89Å; I628-F653 HydrophobicContact CG1-CD1 4.48Å; I628-F653 HydrophobicContact CG1-CE1 4.37Å; I628-H655 PolarHBondContact N-O 3.37Å; I628-A656 HydrophobicContact CG2-CB 3.55Å; I628-A656 CarbonylContact O-C 3.51Å; I628-A656 WeakPolarHBondContact O-CA 3.46Å; I628-I657 PolarHBondContact O-N 2.9Å
629	M	74.8	Confident	62.4	Low	14 Å²	14	43.2 Å²	43.2	7%	0.069	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.5	-179	-179.4	169.9	53.7	0	0	110.9	V619 M621 L631 F637 I657 L659	V619-M629 HydrophobicContact CB-CB 4.48Å; V619-M629 HydrophobicContact CB-CE 4.22Å; V619-M629 HydrophobicContact CG1-CE 4.18Å; V619-M629 PolarHBondContact N-O 3.48Å; V619-M629 PolarHBondContact O-N 2.74Å; M621-M629 HydrophobicContact CG-CB 4.44Å; M621-M629 HydrophobicContact SD-CB 3.76Å; M621-M629 HydrophobicContact SD-CE 4.07Å; M621-M629 HydrophobicContact SD-SD 4.27Å; M629-L631 HydrophobicContact CE-CD1 4.47Å; M629-L631 HydrophobicContact CE-CD2 4.27Å; M629-L631 HydrophobicContact CG-CD2 3.66Å; M629-L631 HydrophobicContact CG-CG 4.18Å; M629-L631 HydrophobicContact SD-CD2 3.84Å; M629-F637 HydrophobicContact CE-CE1 3.72Å; M629-F637 HydrophobicContact CE-CZ 4.09Å; M629-F637 HydrophobicContact SD-CE1 4.13Å; M629-F637 HydrophobicContact SD-CZ 4.41Å; M629-I657 WeakPolarHBondContact CA-O 3.39Å; M629-L659 HydrophobicContact CG-CD1 4.43Å; M629-L659 HydrophobicContact CG-CG 4.21Å; M629-L659 HydrophobicContact SD-CD1 3.71Å; M629-L659 HydrophobicContact SD-CG 4.08Å
630	F	71.5	Confident	61.6	Low	2 Å²	2	44.7 Å²	44.7	1%	0.009	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125.5	176.3	-64.7	-47.7	0	0	0	110.8	L590 C607 L610 A616 V618 I628 A656 I657 L658 L659	L590-F630 HydrophobicContact CD1-CD2 4.48Å; L590-F630 HydrophobicContact CD1-CE2 4.31Å; C607-F630 HydrophobicContact CB-CE1 4.17Å; C607-F630 HydrophobicContact CB-CZ 4.41Å; C607-F630 WeakPolarHBondContact SG-CZ 3.27Å; L610-F630 HydrophobicContact CD1-CD1 4.01Å; L610-F630 HydrophobicContact CD1-CD2 4.29Å; L610-F630 HydrophobicContact CD1-CE1 3.7Å; L610-F630 HydrophobicContact CD1-CE2 3.98Å; L610-F630 HydrophobicContact CD1-CG 4.3Å; L610-F630 HydrophobicContact CD1-CZ 3.67Å; A616-F630 HydrophobicContact CB-CB 4.13Å; A616-F630 HydrophobicContact CB-CD1 4.48Å; V618-F630 HydrophobicContact CG1-CD1 4.34Å; V618-F630 HydrophobicContact CG1-CE1 4.12Å; V618-F630 HydrophobicContact CG2-CD1 4.05Å; V618-F630 HydrophobicContact CG2-CE1 4.11Å; I628-F630 HydrophobicContact CG2-CE1 4.42Å; I628-F630 HydrophobicContact CG2-CZ 4.24Å; F630-A656 HydrophobicContact CD2-CB 3.85Å; F630-A656 HydrophobicContact CE2-CB 3.42Å; F630-A656 VanDerWaalsContact CE2-CB 3.42Å; F630-A656 HydrophobicContact CZ-CB 4.15Å; F630-I657 PolarHBondContact N-O 3.39Å; F630-L658 HydrophobicContact CB-CD1 3.54Å; F630-L658 HydrophobicContact CD2-CD1 4.19Å; F630-L658 HydrophobicContact CG-CD1 4.3Å; F630-L659 PolarHBondContact O-N 3.42Å
631	L	68.8	Low	60.8	Low	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	101.6	-172.8	-57.4	179.2	0	0	0	110.6	A616 G617 V619 M629 F637 I641 L659	A616-L631 CarbonylContact C-O 3.15Å; A616-L631 WeakPolarHBondContact CA-O 3.47Å; G617-L631 PolarHBondContact N-O 3.46Å; G617-L631 PolarHBondContact O-N 2.9Å; V619-L631 HydrophobicContact CG2-CD1 3.68Å; M629-L631 HydrophobicContact CE-CD1 4.47Å; M629-L631 HydrophobicContact CE-CD2 4.27Å; M629-L631 HydrophobicContact CG-CD2 3.66Å; M629-L631 HydrophobicContact CG-CG 4.18Å; M629-L631 HydrophobicContact SD-CD2 3.84Å; L631-F637 HydrophobicContact CD1-CD1 3.92Å; L631-F637 HydrophobicContact CD1-CE1 4.06Å; L631-F637 HydrophobicContact CD2-CD1 3.52Å; L631-F637 HydrophobicContact CD2-CE1 3.92Å; L631-F637 HydrophobicContact CD2-CG 4.47Å; L631-F637 HydrophobicContact CG-CD1 4.36Å; L631-I641 HydrophobicContact CD1-CD1 3.71Å; L631-L659 HydrophobicContact CD2-CB 3.94Å; L631-L659 HydrophobicContact CD2-CD1 3.61Å; L631-L659 HydrophobicContact CD2-CG 3.88Å
632	F	66.2	Low	60	Low	59 Å²	59	46.5 Å²	46.5	26%	0.259	26%	0.262	S	S	.	.			trans	-59.1	127.1	172.6	-74.5	-74.1	0	0	0	110.2	M615 E634 C635 S638 L658 T660	M615-F632 VanDerWaalsContact O-CD1 3.24Å; M615-F632 WeakPolarHBondContact O-CD1 3.47Å; F632-E634 PolarHBondContact O-N 3.06Å; F632-C635 PolarHBondContact O-N 2.84Å; F632-C635 PolarHBondContact O-SG 3.38Å; F632-C635 VanDerWaalsContact O-SG 3.41Å; F632-S638 PolarHBondContact O-OG 3.39Å; F632-L658 HydrophobicContact CD2-CD1 4.26Å; F632-L658 HydrophobicContact CE2-CD1 3.48Å; F632-L658 VanDerWaalsContact CE2-CD1 3.48Å; F632-L658 HydrophobicContact CE2-CD2 4.19Å; F632-L658 HydrophobicContact CE2-CG 3.88Å; F632-L658 HydrophobicContact CZ-CD1 3.94Å; F632-T660 HydrophobicContact CD2-CG2 4.36Å; F632-T660 HydrophobicContact CE2-CG2 4.05Å
633	P	60.5	Low	60	Low	59 Å²	59	44.6 Å²	44.6	38%	0.383	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-20	-172	-30	35.6	0	0	0	116.1	M615 S638	M615-P633 VanDerWaalsContact O-CD 3.26Å; M615-P633 WeakPolarHBondContact O-CD 3.39Å; P633-S638 WeakPolarHBondContact CA-OG 3.41Å; P633-S638 PolarHBondContact O-OG 3.01Å
634	E	59.2	Low	60	Low	105 Å²	105	46.8 Å²	46.8	49%	0.491	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-6.5	176.6	-68.9	-164	-118.2	0	0	115.9	F632 K639 Y667	F632-E634 PolarHBondContact O-N 3.06Å; E634-K639 PolarHBondContact O-NZ 2.85Å; E634-Y667 HydrophobicContact CB-CE2 4.05Å; E634-Y667 WeakPolarHBondContact CB-OH 3.37Å; E634-Y667 VanDerWaalsContact CG-OH 3.31Å; E634-Y667 WeakPolarHBondContact CG-OH 3.09Å; E634-Y667 PolarHBondContact OE1-OH 3.08Å
635	C	59	Low	59.6	Low	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.279	C	S	.	.	S	Bend	trans	-65.8	159.2	176.9	85	0	0	0	0	110.5	Y583 F632 F637 S638 K639 P661	Y583-C635 HydrophobicContact CE2-CB 4.29Å; F632-C635 PolarHBondContact O-N 2.84Å; F632-C635 PolarHBondContact O-SG 3.38Å; F632-C635 VanDerWaalsContact O-SG 3.41Å; C635-F637 PolarHBondContact O-N 3.3Å; C635-S638 PolarHBondContact N-OG 2.73Å; C635-S638 PolarHBondContact O-OG 3.44Å; C635-S638 PolarHBondContact SG-N 3.32Å; C635-S638 PolarHBondContact SG-OG 2.79Å; C635-K639 PolarHBondContact O-N 3.03Å; C635-P661 HydrophobicContact CB-CB 4.42Å; C635-P661 HydrophobicContact CB-CG 3.98Å
636	Q	55.7	Low	59.2	Low	113 Å²	113	44.4 Å²	44.4	53%	0.528	25%	0.252	S	S	.	.	S	Bend	trans	-69.3	-25.6	-177.4	-70	-178.4	-81.3	0	0	112.2	Y583 K639 S640	Y583-Q636 HydrophobicContact CD2-CB 4.06Å; Y583-Q636 HydrophobicContact CE2-CB 4.24Å; Q636-K639 PolarHBondContact O-N 2.86Å; Q636-S640 PolarHBondContact O-N 2.84Å
637	F	55.8	Low	58.5	Low	3 Å²	3	50 Å²	50	1%	0.013	28%	0.281	C	S	.	.	H	α-helix	trans	-68	-48.8	175.2	-163.7	-96.9	0	0	0	112	W560 F580 Y583 M629 L631 C635 K639 S640 I641 L659	W560-F637 AromaticContact CH2-CE2 3.97Å; W560-F637 HydrophobicContact CH2-CE2 3.97Å; W560-F637 HydrophobicContact CZ2-CE2 4.4Å; F580-F637 AromaticContact CD1-CE2 3.9Å; F580-F637 HydrophobicContact CD1-CE2 3.9Å; F580-F637 AromaticContact CD1-CZ 3.78Å; F580-F637 HydrophobicContact CD1-CZ 3.78Å; F580-F637 HydrophobicContact CE1-CZ 4.13Å; Y583-F637 HydrophobicContact CD1-CB 4.43Å; Y583-F637 HydrophobicContact CD1-CD2 4.35Å; Y583-F637 HydrophobicContact CD2-CB 3.6Å; Y583-F637 HydrophobicContact CD2-CD2 4.49Å; Y583-F637 HydrophobicContact CE2-CB 3.76Å; Y583-F637 HydrophobicContact CG-CB 3.93Å; Y583-F637 HydrophobicContact CG-CD2 4Å; Y583-F637 HydrophobicContact CG-CG 4.43Å; M629-F637 HydrophobicContact CE-CE1 3.72Å; M629-F637 HydrophobicContact CE-CZ 4.09Å; M629-F637 HydrophobicContact SD-CE1 4.13Å; M629-F637 HydrophobicContact SD-CZ 4.41Å; L631-F637 HydrophobicContact CD1-CD1 3.92Å; L631-F637 HydrophobicContact CD1-CE1 4.06Å; L631-F637 HydrophobicContact CD2-CD1 3.52Å; L631-F637 HydrophobicContact CD2-CE1 3.92Å; L631-F637 HydrophobicContact CD2-CG 4.47Å; L631-F637 HydrophobicContact CG-CD1 4.36Å; C635-F637 PolarHBondContact O-N 3.3Å; F637-K639 PolarHBondContact O-N 2.6Å; F637-S640 PolarHBondContact O-N 3.02Å; F637-S640 PolarHBondContact O-OG 3.19Å; F637-I641 HydrophobicContact CD1-CD1 3.84Å; F637-I641 HydrophobicContact CD1-CG1 3.85Å; F637-I641 HydrophobicContact CE1-CD1 3.51Å; F637-I641 HydrophobicContact CE1-CG1 3.95Å; F637-I641 HydrophobicContact CZ-CD1 4.43Å; F637-I641 VanDerWaalsContact O-CG1 3.27Å; F637-I641 WeakPolarHBondContact O-CG1 3.32Å; F637-I641 PolarHBondContact O-N 3.25Å; F637-L659 HydrophobicContact CB-CD1 4.37Å; F637-L659 HydrophobicContact CD1-CD1 4.04Å; F637-L659 HydrophobicContact CD2-CD1 4.33Å; F637-L659 HydrophobicContact CE1-CD1 4.33Å; F637-L659 HydrophobicContact CG-CD1 4.02Å
638	S	59.9	Low	58	Low	12 Å²	12	56.3 Å²	56.3	8%	0.084	31%	0.314	C	S	.	.	H	α-helix	trans	-67.3	-6.9	177.6	64.1	0	0	0	0	114.5	F632 P633 C635	F632-S638 PolarHBondContact O-OG 3.39Å; P633-S638 WeakPolarHBondContact CA-OG 3.41Å; P633-S638 PolarHBondContact O-OG 3.01Å; C635-S638 PolarHBondContact N-OG 2.73Å; C635-S638 PolarHBondContact O-OG 3.44Å; C635-S638 PolarHBondContact SG-N 3.32Å; C635-S638 PolarHBondContact SG-OG 2.79Å
639	K	55.7	Low	57.4	Low	135 Å²	135	57.6 Å²	57.6	59%	0.587	32%	0.321	S	S	*	.	H	α-helix	trans	-100.5	-19.3	173.5	-73.5	168.5	176	158.2	0	112.7	E634 C635 Q636 F637	E634-K639 PolarHBondContact O-NZ 2.85Å; C635-K639 PolarHBondContact O-N 3.03Å; Q636-K639 PolarHBondContact O-N 2.86Å; F637-K639 PolarHBondContact O-N 2.6Å
640	S	52.5	Low	56.6	Low	52 Å²	52	63 Å²	63	36%	0.364	35%	0.349	S	S	.	.	H	α-helix	trans	-97.5	-30.8	175.6	74	0	0	0	0	112.5	P579 Q636 F637	P579-S640 WeakPolarHBondContact O-CB 3.24Å; P579-S640 PolarHBondContact O-OG 2.69Å; Q636-S640 PolarHBondContact O-N 2.84Å; F637-S640 PolarHBondContact O-N 3.02Å; F637-S640 PolarHBondContact O-OG 3.19Å
641	I	50.7	Low	56	Low	21 Å²	21	72 Å²	72	11%	0.108	38%	0.384	C	S	.	.	S	Bend	trans	-97.1	128.2	164.8	63.1	154.4	0	0	0	111.4	F580 L631 F637 I643	F580-I641 HydrophobicContact CD1-CG2 3.88Å; F580-I641 HydrophobicContact CD2-CG2 4.31Å; F580-I641 HydrophobicContact CE1-CG2 3.43Å; F580-I641 VanDerWaalsContact CE1-CG2 3.43Å; F580-I641 HydrophobicContact CE2-CG2 3.87Å; F580-I641 HydrophobicContact CG-CG2 4.3Å; F580-I641 HydrophobicContact CZ-CG2 3.4Å; F580-I641 VanDerWaalsContact CZ-CG2 3.4Å; L631-I641 HydrophobicContact CD1-CD1 3.71Å; F637-I641 HydrophobicContact CD1-CD1 3.84Å; F637-I641 HydrophobicContact CD1-CG1 3.85Å; F637-I641 HydrophobicContact CE1-CD1 3.51Å; F637-I641 HydrophobicContact CE1-CG1 3.95Å; F637-I641 HydrophobicContact CZ-CD1 4.43Å; F637-I641 VanDerWaalsContact O-CG1 3.27Å; F637-I641 WeakPolarHBondContact O-CG1 3.32Å; F637-I641 PolarHBondContact O-N 3.25Å; I641-I643 PolarHBondContact O-N 2.8Å; I641-I643 VanDerWaalsContact O-N 3.08Å
642	G	47.2	Very low	55.8	Low	78 Å²	78	75.7 Å²	75.7	80%	0.804	40%	0.403	S	S	*	.			trans	-67.5	104.9	164.6	0	0	0	0	0	108.5	P644	G642-P644 WeakPolarHBondContact O-CD 3.47Å; G642-P644 VanDerWaalsContact O-N 3.1Å
643	I	50.1	Low	55.7	Low	57 Å²	57	73.3 Å²	73.3	29%	0.292	39%	0.393	S	S	.	.			trans	-52.3	116	-173.1	-53.4	173.5	0	0	0	109.7	I641 I645	I641-I643 PolarHBondContact O-N 2.8Å; I641-I643 VanDerWaalsContact O-N 3.08Å; I643-I645 PolarHBondContact O-N 2.68Å
644	P	48	Very low	55.9	Low	65 Å²	65	71.9 Å²	71.9	42%	0.422	38%	0.382	S	S	.	.			trans	-66.3	127.7	171.8	27.8	-32.4	0	0	0	108.3	V619 G642 V646	V619-P644 HydrophobicContact CG2-CG 4.2Å; G642-P644 WeakPolarHBondContact O-CD 3.47Å; G642-P644 VanDerWaalsContact O-N 3.1Å; P644-V646 PolarHBondContact O-N 3.16Å
645	I	49.7	Very low	56.1	Low	101 Å²	101	68.2 Å²	68.2	52%	0.518	37%	0.365	S	S	.	.			trans	-76.2	109	167.6	-57.4	-174.2	0	0	0	106.2	I643 D647 L1413	I643-I645 PolarHBondContact O-N 2.68Å; I645-D647 PolarHBondContact O-N 2.8Å; I645-L1413 HydrophobicContact CD1-CD1 3.46Å; I645-L1413 VanDerWaalsContact CD1-CD1 3.46Å; I645-L1413 HydrophobicContact CG1-CD1 4.24Å
646	V	55	Low	56.4	Low	30 Å²	30	68.2 Å²	68.2	18%	0.182	37%	0.365	C	S	.	.			trans	-86.5	92.9	177.2	179.6	0	0	0	0	107.6	Q611 P620 P644 N648 L649	Q611-V646 PolarHBondContact NE2-O 2.97Å; P620-V646 HydrophobicContact CG-CG1 4.28Å; P620-V646 HydrophobicContact CG-CG2 4.34Å; P644-V646 PolarHBondContact O-N 3.16Å; V646-N648 WeakPolarHBondContact CG1-O 3.46Å; V646-L649 HydrophobicContact CG1-CD2 4.07Å
647	D	50.5	Low	56.9	Low	129 Å²	129	63.8 Å²	63.8	69%	0.69	34%	0.344	S	S	*	.	S	Bend	trans	-74.2	123.2	168.4	-67.6	-35.8	0	0	0	108.2	I645	I645-D647 PolarHBondContact O-N 2.8Å
648	N	55.9	Low	57.5	Low	147 Å²	147	65.3 Å²	65.3	79%	0.786	35%	0.352	S	S	*	.	S	Bend	trans	73.9	114.5	-166.1	-50.2	-47.7	0	0	0	114.7	V646	V646-N648 WeakPolarHBondContact CG1-O 3.46Å
649	L	58.9	Low	57.6	Low	28 Å²	28	65.4 Å²	65.4	15%	0.147	35%	0.352	C	S	.	.			trans	-106.8	115.2	170.7	-73.1	172	0	0	0	108.8	C607 V618 I628 V646 F653	C607-L649 HydrophobicContact CB-CD1 3.64Å; V618-L649 HydrophobicContact CG1-CD1 4.22Å; V618-L649 HydrophobicContact CG1-CD2 4.03Å; I628-L649 HydrophobicContact CD1-CD2 3.83Å; V646-L649 HydrophobicContact CG1-CD2 4.07Å; L649-F653 HydrophobicContact CB-CE2 4.27Å; L649-F653 HydrophobicContact CD2-CE2 4.19Å; L649-F653 HydrophobicContact CD2-CZ 4.48Å
650	D	58.6	Low	57.6	Low	126 Å²	126	59.3 Å²	59.3	67%	0.674	33%	0.326	S	S	*	.			trans	-68.1	150.3	179.4	-81.1	-52.2	0	0	0	112.9	N652 F653	D650-N652 PolarHBondContact O-N 2.77Å; D650-F653 VanDerWaalsContact O-CD2 3.26Å; D650-F653 WeakPolarHBondContact O-CD2 3.37Å; D650-F653 WeakPolarHBondContact O-CE2 3.4Å
651	R	58.7	Low	57.5	Low	193 Å²	193	57.7 Å²	57.7	73%	0.728	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	19.2	-162.4	-59.1	-176.7	179.7	-177.7	1	114.9	R600	R600-R651 VanDerWaalsContact CB-O 3.32Å; R600-R651 WeakPolarHBondContact CB-O 3.36Å
652	N	63.7	Low	57.4	Low	76 Å²	76	59.4 Å²	59.4	41%	0.406	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-3	-162.4	-81.3	-31.5	0	0	0	116.8	R600 D650 L654	R600-N652 PolarHBondContact NH1-OD1 3.36Å; R600-N652 VanDerWaalsContact NH1-OD1 3.1Å; D650-N652 PolarHBondContact O-N 2.77Å; N652-L654 PolarHBondContact O-N 3.18Å
653	F	65.4	Low	56.9	Low	10 Å²	10	57.8 Å²	57.8	4%	0.044	30%	0.298	C	S	.	.			trans	-63.2	128.7	-178.7	-51.9	-66.8	0	0	0	113.4	M603 P620 E625 I628 L649 D650	M603-F653 HydrophobicContact CG-CB 4.08Å; P620-F653 HydrophobicContact CB-CE1 4.11Å; P620-F653 HydrophobicContact CB-CZ 4.12Å; E625-F653 VanDerWaalsContact O-CD1 3.28Å; E625-F653 WeakPolarHBondContact O-CD1 3.24Å; E625-F653 WeakPolarHBondContact O-CE1 3.44Å; I628-F653 HydrophobicContact CB-CD1 3.85Å; I628-F653 HydrophobicContact CB-CE1 4.17Å; I628-F653 HydrophobicContact CB-CG 4.11Å; I628-F653 HydrophobicContact CD1-CD1 4.34Å; I628-F653 HydrophobicContact CD1-CD2 3.92Å; I628-F653 HydrophobicContact CD1-CE1 4.18Å; I628-F653 HydrophobicContact CD1-CE2 3.75Å; I628-F653 HydrophobicContact CD1-CG 4.22Å; I628-F653 HydrophobicContact CD1-CZ 3.89Å; I628-F653 HydrophobicContact CG1-CD1 4.48Å; I628-F653 HydrophobicContact CG1-CE1 4.37Å; L649-F653 HydrophobicContact CB-CE2 4.27Å; L649-F653 HydrophobicContact CD2-CE2 4.19Å; L649-F653 HydrophobicContact CD2-CZ 4.48Å; D650-F653 VanDerWaalsContact O-CD2 3.26Å; D650-F653 WeakPolarHBondContact O-CD2 3.37Å; D650-F653 WeakPolarHBondContact O-CE2 3.4Å
654	L	62.8	Low	56.3	Low	28 Å²	28	59.7 Å²	59.7	15%	0.147	31%	0.308	C	S	.	.			trans	-109.2	-29.9	175.1	-71.6	169.3	0	0	0	112.5	L592 R600 S626 N652	L592-L654 HydrophobicContact CD1-CD2 4.33Å; L592-L654 PolarHBondContact N-O 3.3Å; R600-L654 HydrophobicContact CG-CD2 4.05Å; S626-L654 PolarHBondContact O-N 2.88Å; N652-L654 PolarHBondContact O-N 3.18Å
655	H	64.5	Low	55.7	Low	29 Å²	29	65 Å²	65	13%	0.134	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	149	-178.2	-55.9	-52.9	0	0	0	111.3	R589 L590 T591 S626 S627 I628	R589-H655 PolarHBondContact NH2-CE1 3.34Å; R589-H655 PolarHBondContact NH2-NE2 3.42Å; L590-H655 CarbonylContact O-C 3.59Å; L590-H655 WeakPolarHBondContact O-CA 3.46Å; T591-H655 PolarHBondContact OG1-ND1 2.97Å; S626-H655 PolarHBondContact O-N 3.1Å; S627-H655 WeakPolarHBondContact CA-O 3.45Å; I628-H655 PolarHBondContact N-O 3.37Å
656	A	64.4	Low	55.2	Low	0 Å²	0	69.5 Å²	69.5	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	142.2	168	0	0	0	0	0	112.3	R589 L590 M603 I628 F630	R589-A656 WeakPolarHBondContact CA-O 3.4Å; L590-A656 HydrophobicContact CB-CB 4.26Å; L590-A656 HydrophobicContact CD1-CB 4.44Å; L590-A656 PolarHBondContact N-O 2.87Å; L590-A656 PolarHBondContact O-N 2.89Å; M603-A656 HydrophobicContact CE-CB 4.3Å; M603-A656 HydrophobicContact SD-CB 4.35Å; I628-A656 HydrophobicContact CG2-CB 3.55Å; I628-A656 CarbonylContact O-C 3.51Å; I628-A656 WeakPolarHBondContact O-CA 3.46Å; F630-A656 HydrophobicContact CD2-CB 3.85Å; F630-A656 HydrophobicContact CE2-CB 3.42Å; F630-A656 VanDerWaalsContact CE2-CB 3.42Å; F630-A656 HydrophobicContact CZ-CB 4.15Å
657	I	66.9	Low	54	Low	20 Å²	20	70.9 Å²	70.9	10%	0.103	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	110.6	179.1	-58.3	178.1	0	0	0	108.9	Y587 F588 I628 M629 F630 L659	Y587-I657 HydrophobicContact CD2-CG2 4.17Å; Y587-I657 HydrophobicContact CG-CG2 4.44Å; F588-I657 WeakPolarHBondContact O-CA 3.49Å; I628-I657 PolarHBondContact O-N 2.9Å; M629-I657 WeakPolarHBondContact CA-O 3.39Å; F630-I657 PolarHBondContact N-O 3.39Å; I657-L659 HydrophobicContact CG2-CD2 3.9Å
658	L	67.4	Low	53	Low	35 Å²	35	69.2 Å²	69.2	18%	0.183	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	101	-177	-175.2	67.5	0	0	0	111.4	Y587 F588 F630 F632 T660	Y587-L658 VanDerWaalsContact CA-O 3.28Å; Y587-L658 WeakPolarHBondContact CA-O 3.42Å; F588-L658 HydrophobicContact CB-CB 4.36Å; F588-L658 HydrophobicContact CD2-CD2 4.45Å; F588-L658 PolarHBondContact N-O 2.87Å; F588-L658 PolarHBondContact O-N 3.48Å; F630-L658 HydrophobicContact CB-CD1 3.54Å; F630-L658 HydrophobicContact CD2-CD1 4.19Å; F630-L658 HydrophobicContact CG-CD1 4.3Å; F632-L658 HydrophobicContact CD2-CD1 4.26Å; F632-L658 HydrophobicContact CE2-CD1 3.48Å; F632-L658 VanDerWaalsContact CE2-CD1 3.48Å; F632-L658 HydrophobicContact CE2-CD2 4.19Å; F632-L658 HydrophobicContact CE2-CG 3.88Å; F632-L658 HydrophobicContact CZ-CD1 3.94Å; L658-T660 HydrophobicContact CD2-CG2 4.36Å; L658-T660 HydrophobicContact CG-CG2 4.2Å; L658-T660 PolarHBondContact O-N 3.44Å
659	L	64	Low	51.9	Low	13 Å²	13	70.1 Å²	70.1	7%	0.068	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	106.3	178.3	-62.2	-162	0	0	0	111.6	Y583 M629 F630 L631 F637 I657	Y583-L659 HydrophobicContact CD1-CD1 4.32Å; Y583-L659 HydrophobicContact CE1-CB 4.27Å; Y583-L659 HydrophobicContact CE1-CD1 3.9Å; Y583-L659 HydrophobicContact CE1-CD2 4.36Å; Y583-L659 HydrophobicContact CE1-CG 4.42Å; M629-L659 HydrophobicContact CG-CD1 4.43Å; M629-L659 HydrophobicContact CG-CG 4.21Å; M629-L659 HydrophobicContact SD-CD1 3.71Å; M629-L659 HydrophobicContact SD-CG 4.08Å; F630-L659 PolarHBondContact O-N 3.42Å; L631-L659 HydrophobicContact CD2-CB 3.94Å; L631-L659 HydrophobicContact CD2-CD1 3.61Å; L631-L659 HydrophobicContact CD2-CG 3.88Å; F637-L659 HydrophobicContact CB-CD1 4.37Å; F637-L659 HydrophobicContact CD1-CD1 4.04Å; F637-L659 HydrophobicContact CD2-CD1 4.33Å; F637-L659 HydrophobicContact CE1-CD1 4.33Å; F637-L659 HydrophobicContact CG-CD1 4.02Å; I657-L659 HydrophobicContact CG2-CD2 3.9Å
660	T	54.2	Low	50.5	Low	8 Å²	8	73.8 Å²	73.8	5%	0.049	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	143.7	179.3	66.4	0	0	0	0	112.6	Y583 G585 N586 F588 F632 L658	Y583-T660 PolarHBondContact OH-O 3.2Å; G585-T660 WeakPolarHBondContact CA-O 3.45Å; N586-T660 WeakPolarHBondContact CB-OG1 3.38Å; N586-T660 PolarHBondContact N-O 3.3Å; N586-T660 PolarHBondContact O-N 3.19Å; N586-T660 PolarHBondContact O-OG1 2.91Å; F588-T660 HydrophobicContact CD2-CG2 4.1Å; F588-T660 HydrophobicContact CE2-CG2 3.96Å; F632-T660 HydrophobicContact CD2-CG2 4.36Å; F632-T660 HydrophobicContact CE2-CG2 4.05Å; L658-T660 HydrophobicContact CD2-CG2 4.36Å; L658-T660 HydrophobicContact CG-CG2 4.2Å; L658-T660 PolarHBondContact O-N 3.44Å
661	P	50.7	Low	49.1	Very low	17 Å²	17	75 Å²	75	11%	0.11	36%	0.359	C	S	.	.			trans	-52.9	153.7	-177.9	-26.2	32.7	0	0	0	114.7	C635 S663 Y667	C635-P661 HydrophobicContact CB-CB 4.42Å; C635-P661 HydrophobicContact CB-CG 3.98Å; P661-S663 PolarHBondContact O-N 2.89Å; P661-Y667 HydrophobicContact CG-CD2 4.26Å; P661-Y667 HydrophobicContact CG-CE2 3.94Å
662	H	48.1	Very low	47.7	Very low	58 Å²	58	69.6 Å²	69.6	27%	0.269	34%	0.343	S	S	.	.	S	Bend	trans	-53.1	-18.4	-175.8	-157.8	8.8	0	0	0	115.5	R584	R584-H662 WeakPolarHBondContact CB-NE2 3.44Å; R584-H662 WeakPolarHBondContact O-CA 3.29Å; R584-H662 WeakPolarHBondContact O-CB 3.31Å; R584-H662 PolarHBondContact O-ND1 3.17Å
663	S	38.4	Very low	46	Very low	44 Å²	44	70 Å²	70	31%	0.308	35%	0.352	S	S	.	.			trans	-147.1	105.6	174.1	-68.7	0	0	0	0	110.5	P661 H665 R666	P661-S663 PolarHBondContact O-N 2.89Å; S663-H665 PolarHBondContact O-N 3.27Å; S663-R666 PolarHBondContact O-N 3.17Å
664	L	36.6	Very low	44.1	Very low	96 Å²	96	73.3 Å²	73.3	50%	0.503	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-52.7	-30.7	159	-71.8	168.1	0	0	0	110.8	R666 Y667	L664-R666 PolarHBondContact O-N 3.21Å; L664-Y667 PolarHBondContact O-N 2.68Å
665	H	35.8	Very low	42.5	Very low	178 Å²	178	78 Å²	78	82%	0.824	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-63.9	-9.8	171	-64.9	-43.5	0	0	0	116.3	S663	S663-H665 PolarHBondContact O-N 3.27Å
666	R	38.4	Very low	40.8	Very low	195 Å²	195	87.4 Å²	87.4	74%	0.736	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-107.3	-6.6	177	-75.2	-170.7	175.6	-167.4	-0.4	113.9	S663 L664	S663-R666 PolarHBondContact O-N 3.17Å; L664-R666 PolarHBondContact O-N 3.21Å
667	Y	30.2	Very low	39.4	Very low	58 Å²	58	92.9 Å²	92.9	23%	0.227	48%	0.478	C	S	.	.	S	Bend	trans	-75.3	139.2	169.1	-117.7	-91.5	0	0	0	109.7	E634 P661 L664 Y669	E634-Y667 HydrophobicContact CB-CE2 4.05Å; E634-Y667 WeakPolarHBondContact CB-OH 3.37Å; E634-Y667 VanDerWaalsContact CG-OH 3.31Å; E634-Y667 WeakPolarHBondContact CG-OH 3.09Å; E634-Y667 PolarHBondContact OE1-OH 3.08Å; P661-Y667 HydrophobicContact CG-CD2 4.26Å; P661-Y667 HydrophobicContact CG-CE2 3.94Å; L664-Y667 PolarHBondContact O-N 2.68Å; Y667-Y669 HydrophobicContact CD1-CD2 4.34Å; Y667-Y669 AromaticContact CD1-CE2 3.99Å; Y667-Y669 HydrophobicContact CD1-CE2 3.99Å; Y667-Y669 HydrophobicContact CG-CE2 4.39Å; Y667-Y669 PolarHBondContact O-N 3.45Å
668	P	28.4	Very low	37.7	Very low	95 Å²	95	97.4 Å²	97.4	62%	0.617	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-74	28.5	-172.5	30.3	-37.2	0	0	0	115.6	S670	P668-S670 PolarHBondContact O-N 2.88Å
669	Y	32.8	Very low	36	Very low	165 Å²	165	103.5 Å²	103.5	65%	0.647	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-62.2	-17.3	165.6	-70.5	-67.2	0	0	0	112.5	Y667 E671 M672	Y667-Y669 HydrophobicContact CD1-CD2 4.34Å; Y667-Y669 AromaticContact CD1-CE2 3.99Å; Y667-Y669 HydrophobicContact CD1-CE2 3.99Å; Y667-Y669 HydrophobicContact CG-CE2 4.39Å; Y667-Y669 PolarHBondContact O-N 3.45Å; Y669-E671 PolarHBondContact O-N 2.84Å; Y669-M672 PolarHBondContact O-N 2.8Å
670	S	31	Very low	34.6	Very low	105 Å²	105	108.3 Å²	108.3	73%	0.734	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-64.9	-12.9	179.4	49.5	0	0	0	0	115.9	P668	P668-S670 PolarHBondContact O-N 2.88Å
671	E	29.4	Very low	33.7	Very low	151 Å²	151	114.5 Å²	114.5	71%	0.706	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-101.9	8.1	175.4	-64.4	-159.6	144.3	0	0	114.1	Y669	Y669-E671 PolarHBondContact O-N 2.84Å
672	M	28.8	Very low	33.1	Very low	80 Å²	80	119 Å²	119	39%	0.394	63%	0.626	S	S	.	*	S	Bend	trans	-120.7	136.7	174.7	-77.2	-175	158.6	0	0	112.6	Y669 L737	Y669-M672 PolarHBondContact O-N 2.8Å; M672-L737 HydrophobicContact CE-CB 4.36Å; M672-L737 HydrophobicContact CE-CD1 4.22Å; M672-L737 HydrophobicContact SD-CD1 4.23Å; M672-L737 HydrophobicContact SD-CD2 3.99Å
673	C	28	Very low	32.4	Very low	86 Å²	86	122.1 Å²	122.1	58%	0.581	65%	0.649	S	S	*	*			trans	65.6	104.4	-178.8	-67.6	0	0	0	0	116.4
674	C	24.7	Very low	32.2	Very low	78 Å²	78	124.9 Å²	124.9	53%	0.527	67%	0.666	S	S	.	*			trans	-96.2	130.3	-179.2	-47.6	0	0	0	0	111.9
675	C	29.7	Very low	32.1	Very low	126 Å²	126	126.2 Å²	126.2	85%	0.851	68%	0.678	S	S	*	*			trans	-153	98.7	161.7	-111.9	0	0	0	0	111.7
676	R	29.9	Very low	32	Very low	227 Å²	227	123.4 Å²	123.4	86%	0.857	68%	0.678	S	S	*	*			trans	-103.3	121.7	160.2	-85.6	-171.2	176.5	-170	0.2	108.2	N678	R676-N678 PolarHBondContact O-N 2.85Å
677	P	33.6	Very low	31.8	Very low	116 Å²	116	119.1 Å²	119.1	75%	0.753	68%	0.676	S	S	*	*			trans	-73.4	108.3	163.6	29	-30.6	0	0	0	109.1
678	N	31.9	Very low	31.7	Very low	115 Å²	115	126.1 Å²	126.1	62%	0.615	71%	0.708	S	S	*	*			trans	-90	118.1	166	-116.4	65	0	0	0	107.8	R676 D680	R676-N678 PolarHBondContact O-N 2.85Å; N678-D680 PolarHBondContact ND2-OD2 2.74Å; N678-D680 PolarHBondContact O-N 3.16Å
679	N	32.5	Very low	31.8	Very low	163 Å²	163	125.8 Å²	125.8	87%	0.872	71%	0.713	S	S	*	*			trans	-84.5	84	172.8	-77.7	0.7	0	0	0	109.7
680	D	34.1	Very low	31.8	Very low	114 Å²	114	124.3 Å²	124.3	61%	0.61	72%	0.721	S	S	*	*			trans	-125.2	105.6	172.7	-76.7	-64.7	0	0	0	110.4	N678	N678-D680 PolarHBondContact ND2-OD2 2.74Å; N678-D680 PolarHBondContact O-N 3.16Å
681	V	35	Very low	31.9	Very low	138 Å²	138	124.7 Å²	124.7	84%	0.836	72%	0.721	S	S	*	*			trans	-135.8	96.9	173.9	177	0	0	0	0	106.3
682	V	37.2	Very low	31.9	Very low	112 Å²	112	121.5 Å²	121.5	68%	0.679	72%	0.721	S	S	*	*				59.8	104.1	66.1	-176.4	0	0	0	0	108.5
683	T	33.4	Very low	32	Very low	123 Å²	123	123.6 Å²	123.6	76%	0.755	74%	0.738	S	S	*	*			cis	-174.9	-165.5	26.4	4.1	0	0	0	0	107.9
684	P	35.6	Very low	32.2	Very low	102 Å²	102	127 Å²	127	66%	0.662	75%	0.749	S	S	*	*			cis	-135.9	175.6	-27.5	31.3	-10.3	0	0	0	115.7
685	T	34.5	Very low	32.6	Very low	124 Å²	124	128.5 Å²	128.5	76%	0.761	76%	0.758	S	S	*	*			trans	64.9	128.3	145.2	43.1	0	0	0	0	124.5
686	S	32	Very low	32.6	Very low	118 Å²	118	131.5 Å²	131.5	83%	0.825	76%	0.761	S	S	*	*			trans	87.4	151.6	146.3	77.5	0	0	0	0	120
687	P	35	Very low	32.7	Very low	106 Å²	106	123.6 Å²	123.6	69%	0.688	75%	0.75	S	S	*	*			trans	-131	174.1	-153.7	34.8	-13.3	0	0	0	118
688	F	28.7	Very low	32.6	Very low	205 Å²	205	124.7 Å²	124.7	90%	0.899	76%	0.755	S	S	*	*			trans	82	148.8	168.9	-68.9	-82.9	0	0	0	120.3
689	A	30.9	Very low	32.6	Very low	87 Å²	87	124.2 Å²	124.2	72%	0.719	76%	0.761	S	S	*	*			trans	59.8	106.1	163.4	0	0	0	0	0	118.7
690	V	31.6	Very low	32.6	Very low	135 Å²	135	122.3 Å²	122.3	82%	0.818	76%	0.755	S	S	*	*				51.8	121.9	66.2	-171.4	0	0	0	0	113.6
691	P	33.8	Very low	32.5	Very low	112 Å²	112	122.6 Å²	122.6	73%	0.727	76%	0.757	S	S	*	*			cis	-143.4	-174.4	-28.7	41.7	-22.5	0	0	0	115
692	A	29.6	Very low	32.5	Very low	85 Å²	85	123.6 Å²	123.6	70%	0.702	75%	0.75	S	S	*	*			trans	73.2	154	142.3	0	0	0	0	0	124.2
693	T	31.2	Very low	32.2	Very low	123 Å²	123	126.6 Å²	126.6	76%	0.755	76%	0.761	S	S	*	*			trans	76.3	112.4	153.7	35.8	0	0	0	0	123.3
694	I	31.5	Very low	31.9	Very low	158 Å²	158	129.1 Å²	129.1	81%	0.81	76%	0.762	S	S	*	*			trans	89.9	142.4	136.7	-65.2	166.5	0	0	0	118.8
695	P	32.8	Very low	31.7	Very low	110 Å²	110	128.1 Å²	128.1	71%	0.714	77%	0.77	S	S	*	*			trans	-125.9	-172.9	-163.5	42.5	-25.3	0	0	0	116.3
696	M	30.2	Very low	31.5	Very low	188 Å²	188	130.4 Å²	130.4	93%	0.926	77%	0.772	S	S	*	*			trans	110	146.2	160.6	-59	-142.2	-59.2	0	0	118.9
697	G	32.3	Very low	31.5	Very low	61 Å²	61	136.9 Å²	136.9	63%	0.629	78%	0.779	S	S	*	*			trans	116.2	97.1	175.1	0	0	0	0	0	112.3
698	T	31.2	Very low	31.3	Very low	139 Å²	139	141.1 Å²	141.1	85%	0.853	79%	0.786	S	S	*	*			cis	77.9	146.7	49.9	75.5	0	0	0	0	116
699	S	32	Very low	31.5	Very low	105 Å²	105	137.6 Å²	137.6	73%	0.734	78%	0.781	S	S	*	*			trans	74.5	124.8	-169.5	-60.6	0	0	0	0	114.7
700	T	31.6	Very low	31.4	Very low	123 Å²	123	139.6 Å²	139.6	76%	0.755	79%	0.785	S	S	*	*			cis	71.3	142	49.9	74	0	0	0	0	113.8
701	D	32.8	Very low	31.3	Very low	120 Å²	120	138.5 Å²	138.5	64%	0.642	78%	0.783	S	S	*	*			cis	-147.2	-178.3	10.3	-144.5	-25.6	0	0	0	113.8
702	K	33.6	Very low	30.9	Very low	159 Å²	159	140.7 Å²	140.7	69%	0.691	79%	0.787	S	S	*	*			trans	-68	161.9	-175.4	-50	149.8	-161.1	79.1	0	113.9
703	L	31.5	Very low	30.7	Very low	175 Å²	175	142.2 Å²	142.2	92%	0.916	79%	0.791	S	S	*	*			trans	-150.3	143.6	132.5	-112.5	165.3	0	0	0	111.9
704	F	28.4	Very low	30.6	Very low	176 Å²	176	140.2 Å²	140.2	77%	0.772	79%	0.787	S	S	*	*			trans	-110.3	155.4	-173.4	-112.3	-107.4	0	0	0	110.7
705	G	31.1	Very low	30.3	Very low	81 Å²	81	137.8 Å²	137.8	84%	0.835	79%	0.785	S	S	*	*			trans	-162.8	94.9	170.9	0	0	0	0	0	113.5
706	Q	30.3	Very low	30.1	Very low	173 Å²	173	136.8 Å²	136.8	81%	0.808	78%	0.78	S	S	*	*			trans	-91	150.1	171.7	-69.7	-178.3	-14.7	0	0	111.7
707	R	32.3	Very low	30	Very low	254 Å²	254	137.3 Å²	137.3	96%	0.958	78%	0.783	S	S	*	*			trans	-157.2	148.3	144.2	-108.9	164.3	-165.8	-154	0.6	111.1
708	K	29.9	Very low	29.9	Very low	195 Å²	195	140.7 Å²	140.7	85%	0.848	78%	0.782	S	S	*	*			trans	-89.7	151.4	177.6	-55.3	172.2	-179.4	176	0	109.8
709	T	33.3	Very low	29.6	Very low	130 Å²	130	142.4 Å²	142.4	80%	0.798	79%	0.785	S	S	*	*				173.1	128.2	116.3	36.9	0	0	0	0	113
710	T	27.9	Very low	29.7	Very low	129 Å²	129	145.4 Å²	145.4	79%	0.791	79%	0.785	S	S	*	*			trans	27.6	112.3	147.1	56.7	0	0	0	0	121.1
711	S	30.1	Very low	29.7	Very low	112 Å²	112	146.2 Å²	146.2	78%	0.783	78%	0.784	S	S	*	*				-176.8	138.9	122.2	43	0	0	0	0	113.8
712	I	25.8	Very low	30	Very low	158 Å²	158	143.7 Å²	143.7	81%	0.81	77%	0.774	S	S	*	*			trans	38.4	139.1	133.9	-50.7	172.9	0	0	0	120.7
713	C	25.9	Very low	30.3	Very low	117 Å²	117	140.7 Å²	140.7	79%	0.791	77%	0.765	S	S	*	*			trans	89.9	117.5	156	-98.7	0	0	0	0	122.1
714	A	28	Very low	30.8	Very low	81 Å²	81	135.9 Å²	135.9	67%	0.669	75%	0.746	S	S	*	*				59.5	106.7	119.7	0	0	0	0	0	122.4
715	S	25.8	Very low	31.6	Very low	108 Å²	108	130.3 Å²	130.3	76%	0.755	73%	0.729	S	S	*	*				74.1	137.1	121	76.3	0	0	0	0	123.6
716	S	27.6	Very low	32.2	Very low	89 Å²	89	129.7 Å²	129.7	62%	0.622	71%	0.706	S	S	*	*			trans	72.6	124.7	152.4	77.6	0	0	0	0	120.2
717	M	28.9	Very low	32.9	Very low	198 Å²	198	124.9 Å²	124.9	98%	0.975	69%	0.685	S	S	*	*			trans	-108.8	108	145.2	-67.2	-170.4	-172.7	0	0	107.6
718	Q	29.2	Very low	33.9	Very low	132 Å²	132	117.7 Å²	117.7	62%	0.617	67%	0.67	S	S	*	*			trans	-86.2	109.4	178.6	-67.5	-175.1	-2.7	0	0	111.1	K720	Q718-K720 PolarHBondContact O-N 3.09Å; Q718-K720 VanDerWaalsContact O-N 3.11Å; Q718-K720 VanDerWaalsContact OE1-NZ 3.1Å
719	L	26.5	Very low	34.8	Very low	176 Å²	176	112.9 Å²	112.9	92%	0.921	66%	0.657	S	S	*	*			trans	-76.4	93.9	161.2	-85.4	173	0	0	0	109.5	L721	L719-L721 PolarHBondContact O-N 3.49Å; L719-L721 VanDerWaalsContact O-N 3.08Å
720	K	32.6	Very low	35.1	Very low	168 Å²	168	107.3 Å²	107.3	73%	0.73	62%	0.622	S	S	*	*			trans	-88.6	68.3	-165	-156.5	163.3	-166.7	145.2	0	112.9	Q718	Q718-K720 PolarHBondContact O-N 3.09Å; Q718-K720 VanDerWaalsContact O-N 3.11Å; Q718-K720 VanDerWaalsContact OE1-NZ 3.1Å
721	L	31.5	Very low	36.7	Very low	139 Å²	139	104.7 Å²	104.7	73%	0.728	61%	0.606	S	S	*	*			trans	-64.4	133.8	171.9	-76.8	171.7	0	0	0	110.9	L719 L723	L719-L721 PolarHBondContact O-N 3.49Å; L719-L721 VanDerWaalsContact O-N 3.08Å; L721-L723 PolarHBondContact O-N 3.16Å
722	P	39.9	Very low	38.1	Very low	68 Å²	68	104.6 Å²	104.6	44%	0.442	60%	0.597	S	S	.	*			trans	-64.8	126.3	178.1	-22.3	33.4	0	0	0	112.2	S724 S725	P722-S724 WeakPolarHBondContact CB-OG 3.4Å; P722-S724 PolarHBondContact O-N 2.71Å; P722-S724 VanDerWaalsContact O-N 3.16Å; P722-S725 WeakPolarHBondContact O-CB 3.4Å; P722-S725 PolarHBondContact O-N 2.93Å
723	L	39	Very low	39.4	Very low	95 Å²	95	98.8 Å²	98.8	50%	0.497	58%	0.576	S	S	.	*	H	α-helix	trans	-56	-32.2	176.2	-126.6	166.7	0	0	0	111.9	L721 S725 I726 L727 L742	L721-L723 PolarHBondContact O-N 3.16Å; L723-S725 PolarHBondContact O-N 3.03Å; L723-I726 PolarHBondContact O-N 2.81Å; L723-L727 HydrophobicContact CD2-CD1 3.91Å; L723-L727 HydrophobicContact CD2-CG 4.01Å; L723-L727 WeakPolarHBondContact O-CB 3.32Å; L723-L727 VanDerWaalsContact O-CG 3.32Å; L723-L727 WeakPolarHBondContact O-CG 3.46Å; L723-L727 PolarHBondContact O-N 2.87Å; L723-L742 HydrophobicContact CD2-CD1 4.4Å
724	S	42.2	Very low	40.8	Very low	74 Å²	74	93.3 Å²	93.3	52%	0.517	54%	0.539	S	S	.	.	H	α-helix	trans	-58.1	-40.2	172.7	47.8	0	0	0	0	113.3	P722 I726 L727 T728	P722-S724 WeakPolarHBondContact CB-OG 3.4Å; P722-S724 PolarHBondContact O-N 2.71Å; P722-S724 VanDerWaalsContact O-N 3.16Å; S724-I726 VanDerWaalsContact C-N 3.34Å; S724-I726 PolarHBondContact O-N 2.91Å; S724-L727 PolarHBondContact O-N 3.48Å; S724-T728 WeakPolarHBondContact O-CB 3.36Å; S724-T728 WeakPolarHBondContact O-CG2 3.47Å; S724-T728 PolarHBondContact O-N 3.34Å; S724-T728 PolarHBondContact O-OG1 2.68Å
725	S	45.5	Very low	42.3	Very low	59 Å²	59	93.5 Å²	93.5	41%	0.413	52%	0.523	S	S	.	.	H	α-helix	trans	-64.6	-39.5	179.2	-55.2	0	0	0	0	111.9	P722 L723 T728 T729	P722-S725 WeakPolarHBondContact O-CB 3.4Å; P722-S725 PolarHBondContact O-N 2.93Å; L723-S725 PolarHBondContact O-N 3.03Å; S725-T728 PolarHBondContact O-OG1 3.01Å; S725-T729 PolarHBondContact O-N 3.17Å; S725-T729 PolarHBondContact O-OG1 3.24Å
726	I	43.2	Very low	43.9	Very low	68 Å²	68	94 Å²	94	35%	0.349	52%	0.517	S	S	.	.	H	α-helix	trans	-69.6	-48.5	176.7	-53.9	176.3	0	0	0	109.6	L723 S724 T728 T729 L730 L738	L723-I726 PolarHBondContact O-N 2.81Å; S724-I726 VanDerWaalsContact C-N 3.34Å; S724-I726 PolarHBondContact O-N 2.91Å; I726-T728 VanDerWaalsContact C-N 3.29Å; I726-T728 PolarHBondContact O-N 2.69Å; I726-T729 PolarHBondContact O-N 3.32Å; I726-T729 PolarHBondContact O-OG1 3.15Å; I726-T729 VanDerWaalsContact O-OG1 3.07Å; I726-L730 HydrophobicContact CG2-CD1 3.99Å; I726-L730 WeakPolarHBondContact O-CG 3.39Å; I726-L730 PolarHBondContact O-N 2.69Å; I726-L738 HydrophobicContact CG2-CD2 3.78Å
727	L	46.6	Very low	45.2	Very low	72 Å²	72	94 Å²	94	38%	0.377	51%	0.509	S	S	.	.	H	α-helix	trans	-63.3	-29.7	178.2	-70.4	170.9	0	0	0	113.4	L723 S724 R735 L738	L723-L727 HydrophobicContact CD2-CD1 3.91Å; L723-L727 HydrophobicContact CD2-CG 4.01Å; L723-L727 WeakPolarHBondContact O-CB 3.32Å; L723-L727 VanDerWaalsContact O-CG 3.32Å; L723-L727 WeakPolarHBondContact O-CG 3.46Å; L723-L727 PolarHBondContact O-N 2.87Å; S724-L727 PolarHBondContact O-N 3.48Å; L727-R735 VanDerWaalsContact O-CZ 3.28Å; L727-R735 PolarHBondContact O-NE 2.76Å; L727-R735 PolarHBondContact O-NH2 3.24Å; L727-L738 HydrophobicContact CD2-CD2 4.14Å
728	T	52.1	Low	46.5	Very low	104 Å²	104	86.5 Å²	86.5	64%	0.638	47%	0.473	S	S	*	.	H	α-helix	trans	-77.6	-22.9	176.9	49.8	0	0	0	0	114.6	S724 S725 I726	S724-T728 WeakPolarHBondContact O-CB 3.36Å; S724-T728 WeakPolarHBondContact O-CG2 3.47Å; S724-T728 PolarHBondContact O-N 3.34Å; S724-T728 PolarHBondContact O-OG1 2.68Å; S725-T728 PolarHBondContact O-OG1 3.01Å; I726-T728 VanDerWaalsContact C-N 3.29Å; I726-T728 PolarHBondContact O-N 2.69Å
729	T	48.8	Very low	47.5	Very low	94 Å²	94	81.6 Å²	81.6	58%	0.577	46%	0.458	S	S	*	.	H	α-helix	trans	-93.1	-22.6	-177.9	45.4	0	0	0	0	113.6	S725 I726	S725-T729 PolarHBondContact O-N 3.17Å; S725-T729 PolarHBondContact O-OG1 3.24Å; I726-T729 PolarHBondContact O-N 3.32Å; I726-T729 PolarHBondContact O-OG1 3.15Å; I726-T729 VanDerWaalsContact O-OG1 3.07Å
730	L	40.8	Very low	48.5	Very low	12 Å²	12	76.7 Å²	76.7	6%	0.063	44%	0.438	C	S	.	.	S	Bend	trans	-73.9	144.4	175.8	-69.6	166.1	0	0	0	113.2	I726 R735 L738	I726-L730 HydrophobicContact CG2-CD1 3.99Å; I726-L730 WeakPolarHBondContact O-CG 3.39Å; I726-L730 PolarHBondContact O-N 2.69Å; L730-R735 HydrophobicContact CB-CG 4.02Å; L730-R735 PolarHBondContact O-NH2 2.89Å; L730-L738 HydrophobicContact CD1-CB 3.94Å; L730-L738 HydrophobicContact CD1-CD2 3.69Å; L730-L738 HydrophobicContact CD1-CG 4.33Å
731	T	61.7	Low	49.1	Very low	74 Å²	74	71 Å²	71	45%	0.454	42%	0.422	S	S	.	.			trans	-63	162.1	162.8	58.7	0	0	0	0	110.5	G733 G734 R735	T731-G733 PolarHBondContact O-N 2.81Å; T731-G734 CarbonylContact O-C 3.53Å; T731-G734 WeakPolarHBondContact O-CA 3.21Å; T731-G734 PolarHBondContact O-N 2.93Å; T731-G734 PolarHBondContact OG1-N 2.98Å; T731-G734 VanDerWaalsContact OG1-N 3.15Å; T731-R735 WeakPolarHBondContact O-CG 3.42Å; T731-R735 PolarHBondContact O-N 2.8Å
732	D	59.3	Low	49.9	Very low	110 Å²	110	67.8 Å²	67.8	59%	0.588	41%	0.406	S	S	*	.	H	α-helix	trans	-62.2	-31.7	179.4	-64.6	-51.7	0	0	0	112.6	R735 N736	D732-R735 PolarHBondContact O-N 2.86Å; D732-R735 IonicContact OD1-CZ 3.88Å; D732-R735 IonicContact OD1-NH1 2.67Å; D732-R735 PolarHBondContact OD1-NH1 2.77Å; D732-N736 PolarHBondContact O-N 2.83Å; D732-N736 PolarHBondContact O-OD1 2.76Å
733	G	51.8	Low	50.3	Low	36 Å²	36	70.3 Å²	70.3	37%	0.371	41%	0.414	S	S	.	.	H	α-helix	trans	-64.6	-44.7	168	0	0	0	0	0	112.8	T731 R735 N736 L737	T731-G733 PolarHBondContact O-N 2.81Å; G733-R735 VanDerWaalsContact C-N 3.33Å; G733-R735 PolarHBondContact O-N 3.2Å; G733-N736 PolarHBondContact O-N 3.09Å; G733-L737 PolarHBondContact O-N 2.94Å
734	G	55.1	Low	50.2	Low	2 Å²	2	68 Å²	68	2%	0.021	41%	0.406	C	S	.	.	H	α-helix	trans	-64.1	-33.4	175.6	0	0	0	0	0	113.7	T731 L737 L738	T731-G734 CarbonylContact O-C 3.53Å; T731-G734 WeakPolarHBondContact O-CA 3.21Å; T731-G734 PolarHBondContact O-N 2.93Å; T731-G734 PolarHBondContact OG1-N 2.98Å; T731-G734 VanDerWaalsContact OG1-N 3.15Å; G734-L737 PolarHBondContact O-N 2.99Å; G734-L738 WeakPolarHBondContact O-CB 3.27Å; G734-L738 PolarHBondContact O-N 3.08Å
735	R	60.9	Low	50.1	Low	86 Å²	86	68.2 Å²	68.2	33%	0.325	40%	0.404	S	S	.	.	H	α-helix	trans	-63.1	-47.2	172.7	-72.5	177.5	177.3	126.2	15.5	111.5	L727 L730 T731 D732 G733 L738 G739	L727-R735 VanDerWaalsContact O-CZ 3.28Å; L727-R735 PolarHBondContact O-NE 2.76Å; L727-R735 PolarHBondContact O-NH2 3.24Å; L730-R735 HydrophobicContact CB-CG 4.02Å; L730-R735 PolarHBondContact O-NH2 2.89Å; T731-R735 WeakPolarHBondContact O-CG 3.42Å; T731-R735 PolarHBondContact O-N 2.8Å; D732-R735 PolarHBondContact O-N 2.86Å; D732-R735 IonicContact OD1-CZ 3.88Å; D732-R735 IonicContact OD1-NH1 2.67Å; D732-R735 PolarHBondContact OD1-NH1 2.77Å; G733-R735 VanDerWaalsContact C-N 3.33Å; G733-R735 PolarHBondContact O-N 3.2Å; R735-L738 PolarHBondContact O-N 3.18Å; R735-G739 PolarHBondContact O-N 3.35Å
736	N	58.1	Low	50.1	Low	118 Å²	118	69.9 Å²	69.9	63%	0.631	41%	0.408	S	S	*	.	H	α-helix	trans	-63.3	-43.7	178	-68.3	-2.7	0	0	0	110.8	D732 G733 L738 G739 S740	D732-N736 PolarHBondContact O-N 2.83Å; D732-N736 PolarHBondContact O-OD1 2.76Å; G733-N736 PolarHBondContact O-N 3.09Å; N736-L738 PolarHBondContact O-N 3.41Å; N736-G739 PolarHBondContact O-N 2.7Å; N736-S740 PolarHBondContact O-N 3.41Å; N736-S740 PolarHBondContact O-OG 3.44Å
737	L	55.7	Low	50	Low	88 Å²	88	69.2 Å²	69.2	46%	0.461	41%	0.412	S	S	.	.	H	α-helix	trans	-64.1	-41.3	178	-149.1	92.5	0	0	0	112.4	M672 G733 G734 G739 S740 A741	M672-L737 HydrophobicContact CE-CB 4.36Å; M672-L737 HydrophobicContact CE-CD1 4.22Å; M672-L737 HydrophobicContact SD-CD1 4.23Å; M672-L737 HydrophobicContact SD-CD2 3.99Å; G733-L737 PolarHBondContact O-N 2.94Å; G734-L737 PolarHBondContact O-N 2.99Å; L737-G739 VanDerWaalsContact C-N 3.33Å; L737-S740 PolarHBondContact O-N 2.73Å; L737-A741 VanDerWaalsContact O-CB 3.31Å; L737-A741 WeakPolarHBondContact O-CB 3.09Å; L737-A741 PolarHBondContact O-N 2.69Å
738	L	55.1	Low	49.6	Very low	42 Å²	42	73 Å²	73	22%	0.22	43%	0.428	C	S	.	.	H	α-helix	trans	-64.2	-38.1	173.2	-173.3	75.1	0	0	0	111.5	I726 L727 L730 G734 R735 N736 A741 L742	I726-L738 HydrophobicContact CG2-CD2 3.78Å; L727-L738 HydrophobicContact CD2-CD2 4.14Å; L730-L738 HydrophobicContact CD1-CB 3.94Å; L730-L738 HydrophobicContact CD1-CD2 3.69Å; L730-L738 HydrophobicContact CD1-CG 4.33Å; G734-L738 WeakPolarHBondContact O-CB 3.27Å; G734-L738 PolarHBondContact O-N 3.08Å; R735-L738 PolarHBondContact O-N 3.18Å; N736-L738 PolarHBondContact O-N 3.41Å; L738-A741 PolarHBondContact O-N 3.2Å; L738-L742 HydrophobicContact CD2-CD1 4.44Å; L738-L742 HydrophobicContact CG-CD1 4.13Å; L738-L742 WeakPolarHBondContact O-CB 3.3Å; L738-L742 WeakPolarHBondContact O-CG 3.49Å; L738-L742 PolarHBondContact O-N 3.17Å
739	G	52.1	Low	49	Very low	29 Å²	29	74.1 Å²	74.1	30%	0.299	43%	0.426	S	S	.	.	H	α-helix	trans	-59.4	-53.7	174	0	0	0	0	0	111.9	R735 N736 L737 A741 L742 I743	R735-G739 PolarHBondContact O-N 3.35Å; N736-G739 PolarHBondContact O-N 2.7Å; L737-G739 VanDerWaalsContact C-N 3.33Å; G739-A741 VanDerWaalsContact C-N 3.31Å; G739-A741 PolarHBondContact O-N 2.89Å; G739-L742 PolarHBondContact O-N 2.83Å; G739-I743 WeakPolarHBondContact O-CB 3.09Å; G739-I743 VanDerWaalsContact O-CG1 3.27Å; G739-I743 WeakPolarHBondContact O-CG1 3.46Å; G739-I743 PolarHBondContact O-N 3.39Å
740	S	47	Very low	48.6	Very low	72 Å²	72	76 Å²	76	50%	0.503	43%	0.432	S	S	.	.	H	α-helix	trans	-60.7	-37.8	176.4	-58.9	0	0	0	0	112.8	N736 L737 S744	N736-S740 PolarHBondContact O-N 3.41Å; N736-S740 PolarHBondContact O-OG 3.44Å; L737-S740 PolarHBondContact O-N 2.73Å; S740-S744 WeakPolarHBondContact O-CB 3.36Å; S740-S744 PolarHBondContact O-N 3.41Å; S740-S744 PolarHBondContact O-OG 2.86Å
741	A	45.3	Very low	48.5	Very low	48 Å²	48	82 Å²	82	40%	0.397	46%	0.463	S	S	.	.	H	α-helix	trans	-66.9	-44.7	175.6	0	0	0	0	0	112.2	L737 L738 G739 S744 V745	L737-A741 VanDerWaalsContact O-CB 3.31Å; L737-A741 WeakPolarHBondContact O-CB 3.09Å; L737-A741 PolarHBondContact O-N 2.69Å; L738-A741 PolarHBondContact O-N 3.2Å; G739-A741 VanDerWaalsContact C-N 3.31Å; G739-A741 PolarHBondContact O-N 2.89Å; A741-S744 PolarHBondContact O-N 3.23Å; A741-V745 WeakPolarHBondContact O-CG2 3.43Å; A741-V745 PolarHBondContact O-N 2.86Å
742	L	47.9	Very low	47.3	Very low	73 Å²	73	84.4 Å²	84.4	38%	0.382	48%	0.477	S	S	.	.	H	α-helix	trans	-62.4	-43.3	174.8	-83.1	167.8	0	0	0	111.8	L723 L738 G739 S744 V745 L746	L723-L742 HydrophobicContact CD2-CD1 4.4Å; L738-L742 HydrophobicContact CD2-CD1 4.44Å; L738-L742 HydrophobicContact CG-CD1 4.13Å; L738-L742 WeakPolarHBondContact O-CB 3.3Å; L738-L742 WeakPolarHBondContact O-CG 3.49Å; L738-L742 PolarHBondContact O-N 3.17Å; G739-L742 PolarHBondContact O-N 2.83Å; L742-S744 VanDerWaalsContact C-N 3.33Å; L742-S744 PolarHBondContact O-N 2.89Å; L742-V745 PolarHBondContact O-N 3.48Å; L742-L746 WeakPolarHBondContact O-CB 3.46Å; L742-L746 VanDerWaalsContact O-CG 3.24Å; L742-L746 WeakPolarHBondContact O-CG 3.3Å; L742-L746 PolarHBondContact O-N 3.4Å
743	I	48.2	Very low	45.9	Very low	120 Å²	120	84.9 Å²	84.9	62%	0.615	49%	0.485	S	S	*	.	H	α-helix	trans	-60.4	-44.1	175.2	-69.6	164.4	0	0	0	110.3	G739 L746 A747	G739-I743 WeakPolarHBondContact O-CB 3.09Å; G739-I743 VanDerWaalsContact O-CG1 3.27Å; G739-I743 WeakPolarHBondContact O-CG1 3.46Å; G739-I743 PolarHBondContact O-N 3.39Å; I743-L746 PolarHBondContact O-N 3.01Å; I743-A747 VanDerWaalsContact O-CB 3.24Å; I743-A747 WeakPolarHBondContact O-CB 3.1Å; I743-A747 PolarHBondContact O-N 2.98Å
744	S	36.7	Very low	45.1	Very low	46 Å²	46	90.1 Å²	90.1	32%	0.322	50%	0.504	S	S	.	.	H	α-helix	trans	-64	-42.9	178.1	-56.9	0	0	0	0	112.5	S740 A741 L742 A747 H748	S740-S744 WeakPolarHBondContact O-CB 3.36Å; S740-S744 PolarHBondContact O-N 3.41Å; S740-S744 PolarHBondContact O-OG 2.86Å; A741-S744 PolarHBondContact O-N 3.23Å; L742-S744 VanDerWaalsContact C-N 3.33Å; L742-S744 PolarHBondContact O-N 2.89Å; S744-A747 PolarHBondContact O-N 3.4Å; S744-H748 PolarHBondContact O-CD2 2.91Å; S744-H748 PolarHBondContact O-N 3.27Å
745	V	41.5	Very low	44	Very low	80 Å²	80	96.9 Å²	96.9	49%	0.485	54%	0.54	S	S	.	.	H	α-helix	trans	-67.7	-41.9	178.2	170.8	0	0	0	0	111.6	A741 L742 H748 Q749	A741-V745 WeakPolarHBondContact O-CG2 3.43Å; A741-V745 PolarHBondContact O-N 2.86Å; L742-V745 PolarHBondContact O-N 3.48Å; V745-H748 PolarHBondContact O-N 3.35Å; V745-Q749 WeakPolarHBondContact O-CG 3.14Å; V745-Q749 PolarHBondContact O-N 3.36Å
746	L	44.7	Very low	42.6	Very low	94 Å²	94	99.7 Å²	99.7	49%	0.492	56%	0.561	S	S	.	*	H	α-helix	trans	-68.2	-37.2	176.9	-69.2	169.1	0	0	0	111.9	L742 I743 H748 Q749 N750	L742-L746 WeakPolarHBondContact O-CB 3.46Å; L742-L746 VanDerWaalsContact O-CG 3.24Å; L742-L746 WeakPolarHBondContact O-CG 3.3Å; L742-L746 PolarHBondContact O-N 3.4Å; I743-L746 PolarHBondContact O-N 3.01Å; L746-H748 VanDerWaalsContact C-N 3.35Å; L746-Q749 PolarHBondContact O-N 2.85Å; L746-N750 PolarHBondContact O-N 2.98Å
747	A	39.9	Very low	41.4	Very low	53 Å²	53	100.4 Å²	100.4	44%	0.438	57%	0.565	S	S	.	*	H	α-helix	trans	-63	-39.7	172.9	0	0	0	0	0	112.1	I743 S744	I743-A747 VanDerWaalsContact O-CB 3.24Å; I743-A747 WeakPolarHBondContact O-CB 3.1Å; I743-A747 PolarHBondContact O-N 2.98Å; S744-A747 PolarHBondContact O-N 3.4Å
748	H	38.6	Very low	40.4	Very low	151 Å²	151	102.3 Å²	102.3	70%	0.699	58%	0.576	S	S	*	*	H	α-helix	trans	-71	-32.2	175.7	-91.3	-73.6	0	0	0	114	S744 V745 L746	S744-H748 PolarHBondContact O-CD2 2.91Å; S744-H748 PolarHBondContact O-N 3.27Å; V745-H748 PolarHBondContact O-N 3.35Å; L746-H748 VanDerWaalsContact C-N 3.35Å
749	Q	40.6	Very low	39.3	Very low	129 Å²	129	106.3 Å²	106.3	60%	0.603	60%	0.602	S	S	*	*	H	α-helix	trans	-75.2	-27.5	179.8	-75.5	-177.1	-7.9	0	0	113.7	V745 L746 I751	V745-Q749 WeakPolarHBondContact O-CG 3.14Å; V745-Q749 PolarHBondContact O-N 3.36Å; L746-Q749 PolarHBondContact O-N 2.85Å; Q749-I751 VanDerWaalsContact C-N 3.3Å; Q749-I751 PolarHBondContact O-N 2.99Å
750	N	39.8	Very low	38.2	Very low	133 Å²	133	112.6 Å²	112.6	71%	0.711	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	4.7	-175.4	-74.2	-13	0	0	0	115.5	L746	L746-N750 PolarHBondContact O-N 2.98Å
751	I	38.9	Very low	37.5	Very low	138 Å²	138	116.1 Å²	116.1	71%	0.708	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.9	-12.6	-172.6	-65.7	176.1	0	0	0	113.3	Q749	Q749-I751 VanDerWaalsContact C-N 3.3Å; Q749-I751 PolarHBondContact O-N 2.99Å
752	V	35.4	Very low	36.8	Very low	124 Å²	124	119.3 Å²	119.3	75%	0.752	65%	0.65	S	S	*	*	S	Bend	trans	-127.8	57.1	-173.2	-162.9	0	0	0	0	112.7
753	T	30.1	Very low	35.7	Very low	121 Å²	121	122.5 Å²	122.5	74%	0.742	67%	0.667	S	S	*	*			trans	-145.8	80.1	163.8	48	0	0	0	0	111.4
754	D	34.9	Very low	34.8	Very low	146 Å²	146	123.2 Å²	123.2	78%	0.781	68%	0.677	S	S	*	*			trans	-148.8	120.7	161.8	-113.2	-37	0	0	0	112.8
755	N	33.5	Very low	34.3	Very low	144 Å²	144	129.3 Å²	129.3	77%	0.77	69%	0.693	S	S	*	*			trans	56.8	119.9	157	-54.4	-53.2	0	0	0	122.3
756	N	31.3	Very low	33.5	Very low	144 Å²	144	131 Å²	131	77%	0.77	70%	0.704	S	S	*	*			trans	-78	148.2	162	-50.3	-71.2	0	0	0	111
757	N	33.1	Very low	32.8	Very low	134 Å²	134	132.8 Å²	132.8	72%	0.717	71%	0.714	S	S	*	*				165.9	126.3	105.8	-86.4	-47.1	0	0	0	114
758	N	33.3	Very low	32.4	Very low	128 Å²	128	136.7 Å²	136.7	68%	0.684	73%	0.726	S	S	*	*			trans	59.8	143.9	135	-55.4	-16.8	0	0	0	122.8
759	T	32.2	Very low	32	Very low	126 Å²	126	135 Å²	135	77%	0.773	72%	0.722	S	S	*	*			trans	61.9	145	149.2	46	0	0	0	0	118.8
760	E	29.1	Very low	31.6	Very low	161 Å²	161	134.2 Å²	134.2	75%	0.752	72%	0.722	S	S	*	*			cis	-174.2	-174.2	-26	-130.3	176.3	179.3	0	0	106
761	I	32.5	Very low	30.9	Very low	146 Å²	146	132.7 Å²	132.7	75%	0.749	71%	0.714	S	S	*	*			trans	62.7	88.1	163.9	-60.2	148.3	0	0	0	114.1
762	T	30.9	Very low	30.5	Very low	115 Å²	115	130.4 Å²	130.4	71%	0.706	70%	0.703	S	S	*	*				75.4	97.7	82.6	-61.8	0	0	0	0	115
763	N	25.8	Very low	30.3	Very low	140 Å²	140	132.8 Å²	132.8	75%	0.749	70%	0.699	S	S	*	*			trans	48.5	164.6	136	-64.7	-30.6	0	0	0	122.6
764	T	27.6	Very low	30.1	Very low	134 Å²	134	133.4 Å²	133.4	82%	0.822	69%	0.691	S	S	*	*			trans	74.7	140.6	164.1	62.8	0	0	0	0	117.6
765	R	26.1	Very low	29.7	Very low	174 Å²	174	131.2 Å²	131.2	66%	0.657	68%	0.683	S	S	*	*			cis	-170.6	144	-16.5	178.3	-166.8	-168.4	147.9	5.9	108
766	T	26.5	Very low	29.4	Very low	116 Å²	116	130.6 Å²	130.6	71%	0.712	68%	0.675	S	S	*	*			trans	62.1	164.1	167.8	38.5	0	0	0	0	113.5
767	L	29.2	Very low	29.3	Very low	132 Å²	132	129 Å²	129	69%	0.691	66%	0.663	S	S	*	*			cis	-160.3	139	47.7	-92.6	172.6	0	0	0	111.3
768	L	30.6	Very low	29.1	Very low	135 Å²	135	127.2 Å²	127.2	71%	0.707	65%	0.654	S	S	*	*			trans	66.4	154	146.2	-51.6	168.7	0	0	0	116.2
769	N	30.3	Very low	29.2	Very low	114 Å²	114	126.1 Å²	126.1	61%	0.61	65%	0.653	S	S	*	*			cis	-156.6	178.3	-17.7	-122.6	18.6	0	0	0	110.7
770	D	32.1	Very low	29.1	Very low	113 Å²	113	127.8 Å²	127.8	60%	0.604	65%	0.652	S	S	*	*			trans	46.7	116.2	141	-65.3	-35.1	0	0	0	119.8
771	N	26.4	Very low	29.3	Very low	101 Å²	101	127.3 Å²	127.3	54%	0.54	65%	0.654	S	S	.	*				83.4	156.2	67.4	-84.5	-55.9	0	0	0	113.8	L1438	N771-L1438 WeakPolarHBondContact OD1-CD1 3.09Å
772	D	30.7	Very low	29.4	Very low	91 Å²	91	127 Å²	127	49%	0.487	65%	0.654	S	S	.	*			trans	72.9	127.8	161.7	-95	-24.7	0	0	0	120.8
773	R	29.6	Very low	29.4	Very low	173 Å²	173	126 Å²	126	65%	0.653	65%	0.65	S	S	*	*			trans	66.9	107	137.8	-67.4	161.7	-151.1	-174.8	22.2	116.5
774	K	25.9	Very low	29.6	Very low	134 Å²	134	129 Å²	129	58%	0.583	65%	0.65	S	S	*	*				73.7	163.3	80.2	-76.4	-178	-179.7	-178.4	0	112.3	I1434 I1436	K774-I1434 HydrophobicContact CB-CG2 4.39Å; K774-I1434 HydrophobicContact CG-CG2 3.98Å; K774-I1436 HydrophobicContact CG-CD1 3.96Å
775	V	27.9	Very low	29.9	Very low	101 Å²	101	128.4 Å²	128.4	61%	0.612	64%	0.641	S	S	*	*			trans	86.1	88	160.4	-165	0	0	0	0	117	I1434	V775-I1434 VanDerWaalsContact N-CD1 3.28Å
776	Q	27.3	Very low	30.2	Very low	130 Å²	130	126.4 Å²	126.4	61%	0.607	64%	0.639	S	S	*	*				85.2	135.3	125.3	-72.8	177.5	-19.9	0	0	124.6
777	H	28.7	Very low	30.4	Very low	110 Å²	110	129.4 Å²	129.4	51%	0.509	64%	0.637	S	S	.	*			trans	72	108.1	133.5	-76.9	-65.8	0	0	0	122.5	R1432	H777-R1432 PolarHBondContact CE1-NH1 3.07Å; H777-R1432 VanDerWaalsContact CE1-NH1 3.27Å; H777-R1432 PolarHBondContact CE1-NH2 3.01Å; H777-R1432 PolarHBondContact ND1-NH2 3.17Å; H777-R1432 PolarHBondContact NE2-NH1 3.11Å; H777-R1432 VanDerWaalsContact NE2-NH1 3.19Å
778	N	28.5	Very low	30.6	Very low	98 Å²	98	130.7 Å²	130.7	52%	0.524	63%	0.633	S	S	.	*				4.6	152.5	110.2	-62.1	-17.4	0	0	0	117.2	D1431	N778-D1431 PolarHBondContact ND2-OD1 3.02Å; N778-D1431 PolarHBondContact ND2-OD2 2.8Å
779	P	36	Very low	30.7	Very low	104 Å²	104	130.7 Å²	130.7	68%	0.675	63%	0.63	S	S	*	*			cis	-155.3	-154.1	43.3	41.9	-18.2	0	0	0	115.9
780	H	29.8	Very low	30.8	Very low	161 Å²	161	131.1 Å²	131.1	75%	0.745	63%	0.63	S	S	*	*			trans	78.1	138.1	158.2	-79.1	-38.8	0	0	0	117.9
781	L	33.7	Very low	30.8	Very low	151 Å²	151	133.9 Å²	133.9	79%	0.791	64%	0.639	S	S	*	*			cis	-145	135.9	12.8	-114.3	158	0	0	0	113.9
782	D	33.5	Very low	30.9	Very low	141 Å²	141	133 Å²	133	75%	0.754	64%	0.641	S	S	*	*			trans	-65.3	-179.4	156.5	-151	26.6	0	0	0	109.5
783	P	31.6	Very low	30.9	Very low	94 Å²	94	134.3 Å²	134.3	61%	0.61	65%	0.653	S	S	*	*			cis	-136.9	174.1	0.5	25.6	0.2	0	0	0	117.4
784	R	29.8	Very low	31	Very low	203 Å²	203	132.8 Å²	132.8	77%	0.766	66%	0.658	S	S	*	*				157.6	114.4	107.7	-80.9	176.5	87.2	155.4	4.4	116
785	L	34	Very low	31.3	Very low	121 Å²	121	134.9 Å²	134.9	63%	0.634	67%	0.669	S	S	*	*			trans	62.6	140.8	131.1	-49	176.1	0	0	0	119.3
786	H	32.5	Very low	31.8	Very low	131 Å²	131	134.7 Å²	134.7	61%	0.606	67%	0.67	S	S	*	*			cis	-177.5	145.7	-5	-120.8	9.1	0	0	0	111.4
787	R	30.9	Very low	32	Very low	179 Å²	179	135.6 Å²	135.6	68%	0.675	68%	0.679	S	S	*	*			trans	64.3	149.9	147.7	-63	177.3	176.8	-174	-2.7	118.4
788	R	33.7	Very low	32.1	Very low	159 Å²	159	137.2 Å²	137.2	60%	0.6	69%	0.691	S	S	*	*			cis	-163.5	128.2	-6.3	-105.6	165.1	176.4	178.1	-5.5	106.6
789	Q	31.2	Very low	32	Very low	136 Å²	136	143.4 Å²	143.4	64%	0.636	71%	0.709	S	S	*	*				72.9	129.9	68.7	-159.2	-161.9	13.2	0	0	115.9	E1423	Q789-E1423 PolarHBondContact N-OE2 3.01Å; Q789-E1423 VanDerWaalsContact N-OE2 3.07Å
790	I	33.1	Very low	31.6	Very low	122 Å²	122	142.3 Å²	142.3	63%	0.626	71%	0.708	S	S	*	*			trans	137.9	118.1	138.6	-70	-178	0	0	0	117.7
791	H	31.5	Very low	31.4	Very low	171 Å²	171	143 Å²	143	79%	0.792	72%	0.716	S	S	*	*			trans	65.2	148.4	153.3	-64.1	-25.1	0	0	0	123.1
792	S	29.7	Very low	31	Very low	83 Å²	83	139.7 Å²	139.7	58%	0.58	71%	0.711	S	S	*	*			cis	-175.6	160.8	-14.5	-94.4	0	0	0	0	113.3
793	T	30.4	Very low	30.8	Very low	119 Å²	119	139.5 Å²	139.5	73%	0.73	72%	0.715	S	S	*	*			trans	61	144.6	147.2	48.8	0	0	0	0	120.3
794	D	32	Very low	30.5	Very low	141 Å²	141	139 Å²	139	75%	0.754	72%	0.719	S	S	*	*			cis	-156.8	132.1	4.7	-86.7	-28.3	0	0	0	109.9
795	E	31.1	Very low	30.4	Very low	178 Å²	178	137 Å²	137	83%	0.832	72%	0.723	S	S	*	*				96.8	175.6	101.9	-127.8	-161.6	-152.1	0	0	115.1
796	P	38.4	Very low	30.2	Very low	96 Å²	96	138.9 Å²	138.9	62%	0.623	73%	0.731	S	S	*	*				-126.1	-145.8	-104.8	46.2	-31.3	0	0	0	118.6
797	D	32.2	Very low	30	Very low	150 Å²	150	137.5 Å²	137.5	80%	0.802	74%	0.736	S	S	*	*			trans	77.6	112.3	-179.5	-60.9	-11.1	0	0	0	117.9
798	L	29.7	Very low	29.8	Very low	144 Å²	144	134.2 Å²	134.2	75%	0.754	74%	0.741	S	S	*	*			cis	92	95.7	7	-145.5	175.7	0	0	0	117.3
799	Y	27.7	Very low	29.6	Very low	228 Å²	228	130.7 Å²	130.7	89%	0.894	75%	0.746	S	S	*	*			trans	161.6	133.2	143.5	-109.6	-95.7	0	0	0	109.4
800	A	28.2	Very low	29.6	Very low	81 Å²	81	134.1 Å²	134.1	67%	0.669	75%	0.754	S	S	*	*			cis	-153.3	153.9	-21.7	0	0	0	0	0	111
801	L	24.7	Very low	29.3	Very low	174 Å²	174	135.7 Å²	135.7	91%	0.911	76%	0.759	S	S	*	*			trans	-133.8	149.8	165.9	-156.4	170.6	0	0	0	105.1
802	A	25.6	Very low	29.3	Very low	83 Å²	83	136 Å²	136	69%	0.686	76%	0.759	S	S	*	*			trans	81.2	150	-155.8	0	0	0	0	0	111.4
803	T	28.3	Very low	29.3	Very low	137 Å²	137	140.8 Å²	140.8	84%	0.84	77%	0.769	S	S	*	*			cis	-121.2	151.9	30.6	-59.1	0	0	0	0	114.4
804	A	26	Very low	29.2	Very low	82 Å²	82	140 Å²	140	68%	0.678	76%	0.764	S	S	*	*			trans	-113.7	147.8	169.6	0	0	0	0	0	111.2
805	L	27.7	Very low	29.1	Very low	163 Å²	163	142 Å²	142	85%	0.853	77%	0.768	S	S	*	*			trans	72.3	160.2	166.1	-56.5	167.3	0	0	0	118.6
806	I	29.3	Very low	29	Very low	159 Å²	159	140.9 Å²	140.9	82%	0.815	77%	0.769	S	S	*	*			trans	95.9	123.6	163.5	-55.5	178.7	0	0	0	118.3
807	S	29.1	Very low	28.9	Very low	102 Å²	102	141.7 Å²	141.7	71%	0.713	77%	0.774	S	S	*	*			trans	65.6	84.2	157.1	-62.6	0	0	0	0	122.9
808	S	26.8	Very low	28.9	Very low	111 Å²	111	139.7 Å²	139.7	78%	0.776	77%	0.767	S	S	*	*				13.2	133.4	119.9	63.3	0	0	0	0	122.5
809	A	28.3	Very low	29.1	Very low	85 Å²	85	141.2 Å²	141.2	70%	0.702	77%	0.77	S	S	*	*				115.8	147	123.4	0	0	0	0	0	120.9
810	Y	31.3	Very low	29.4	Very low	207 Å²	207	138 Å²	138	81%	0.812	76%	0.763	S	S	*	*			trans	68.6	112.8	168.3	-72.1	-76.7	0	0	0	121.8
811	Q	28.1	Very low	29.7	Very low	155 Å²	155	141.3 Å²	141.3	72%	0.724	77%	0.765	S	S	*	*				10	142.7	127.8	-51	-178.2	10	0	0	117
812	K	30.5	Very low	30.1	Very low	179 Å²	179	137.3 Å²	137.3	78%	0.778	75%	0.752	S	S	*	*				-170.6	148.2	55	-147.3	175.3	-169.4	171.8	0	113.2
813	K	28.8	Very low	30.5	Very low	183 Å²	183	141.4 Å²	141.4	80%	0.796	76%	0.756	S	S	*	*			trans	26.9	120.2	150.4	-83.8	-158.1	169.5	-165.8	0	121.6
814	T	28.8	Very low	30.8	Very low	103 Å²	103	140.4 Å²	140.4	63%	0.632	75%	0.745	S	S	*	*				87.1	139.9	114.4	-59.2	0	0	0	0	120.5
815	E	30.4	Very low	31.3	Very low	181 Å²	181	143.9 Å²	143.9	85%	0.846	75%	0.748	S	S	*	*			trans	83.9	137.2	161.2	-88.6	153.2	-168.5	0	0	120.3
816	N	29.3	Very low	31.7	Very low	156 Å²	156	142.6 Å²	142.6	83%	0.834	74%	0.737	S	S	*	*			trans	-97.9	169.6	178.7	-57.9	-43.1	0	0	0	108.9
817	P	36.6	Very low	31.9	Very low	113 Å²	113	141.2 Å²	141.2	73%	0.734	73%	0.727	S	S	*	*			cis	-130	-156.9	-35.7	31.8	-11.6	0	0	0	110.3
818	T	32.2	Very low	32.2	Very low	107 Å²	107	142.8 Å²	142.8	66%	0.656	72%	0.723	S	S	*	*			trans	89.6	100.4	156	-16	0	0	0	0	117.9
819	E	34	Very low	32.6	Very low	176 Å²	176	143.2 Å²	143.2	82%	0.822	72%	0.717	S	S	*	*			trans	65.6	143.9	136.5	-61.3	-178.4	143.3	0	0	123.8
820	E	33.3	Very low	32.8	Very low	161 Å²	161	147.9 Å²	147.9	75%	0.752	72%	0.721	S	S	*	*			trans	83.6	113.2	155	-59.8	-134.5	105.2	0	0	123.5
821	Q	34.3	Very low	32.7	Very low	150 Å²	150	144.5 Å²	144.5	70%	0.701	72%	0.716	S	S	*	*			trans	82.2	86.8	131.9	-63.4	-178.2	30.5	0	0	123.1
822	S	32.5	Very low	32.7	Very low	91 Å²	91	144.2 Å²	144.2	64%	0.636	72%	0.715	S	S	*	*				78.8	144	114.6	74.1	0	0	0	0	124.6
823	H	35.7	Very low	32.6	Very low	169 Å²	169	143 Å²	143	78%	0.782	71%	0.712	S	S	*	*			trans	66.2	151.5	154	-65	-47.8	0	0	0	119.1
824	L	34.6	Very low	32.4	Very low	116 Å²	116	140.4 Å²	140.4	61%	0.607	71%	0.711	S	S	*	*			cis	-165.2	159.9	-15.1	-115	167.2	0	0	0	109.8
825	E	35.2	Very low	32.5	Very low	155 Å²	155	138 Å²	138	72%	0.724	71%	0.706	S	S	*	*			trans	57.4	155.4	146.8	-86.2	160.3	-175.4	0	0	120.7
826	E	35.8	Very low	32.3	Very low	136 Å²	136	136 Å²	136	64%	0.636	71%	0.707	S	S	*	*			cis	-167.5	171.2	-19.1	-144.6	-161.2	138	0	0	109.4
827	Q	34.1	Very low	32.2	Very low	129 Å²	129	133.8 Å²	133.8	60%	0.603	70%	0.699	S	S	*	*			trans	65.6	155.3	154	-63.4	-178.2	25.1	0	0	118.8
828	Q	36.3	Very low	31.8	Very low	135 Å²	135	135.1 Å²	135.1	63%	0.631	70%	0.699	S	S	*	*			cis	-159	152.2	-13.6	-119.3	178	41.6	0	0	112.9
829	N	34.5	Very low	31.7	Very low	121 Å²	121	137 Å²	137	65%	0.647	70%	0.7	S	S	*	*			trans	58.9	131.4	139.5	-72.8	-33	0	0	0	124.5
830	K	32.1	Very low	31.4	Very low	183 Å²	183	136.2 Å²	136.2	80%	0.796	70%	0.696	S	S	*	*			trans	65.2	118.6	147.2	-68.8	-175.1	172.9	-174.8	0	118.9
831	I	29.4	Very low	31.2	Very low	136 Å²	136	134.2 Å²	134.2	70%	0.697	70%	0.695	S	S	*	*			cis	79.8	117.8	35.7	-54.4	176.4	0	0	0	114.4
832	Q	27.9	Very low	30.8	Very low	149 Å²	149	135 Å²	135	70%	0.696	70%	0.698	S	S	*	*			trans	68	137.5	158.2	-79.8	167.2	-77	0	0	120.6
833	E	28.3	Very low	30.7	Very low	153 Å²	153	136.3 Å²	136.3	72%	0.715	70%	0.703	S	S	*	*			trans	65.1	137.3	137.2	-68.7	157.2	-160.1	0	0	118.5
834	T	25.6	Very low	30.4	Very low	129 Å²	129	135.1 Å²	135.1	79%	0.791	70%	0.697	S	S	*	*			cis	-140.4	162.2	3.6	-1.7	0	0	0	0	107.4
835	G	29.8	Very low	30.1	Very low	51 Å²	51	134.6 Å²	134.6	53%	0.526	70%	0.699	S	S	.	*				78.7	141.8	56.6	0	0	0	0	0	109.9
836	T	25.9	Very low	29.8	Very low	140 Å²	140	132.6 Å²	132.6	86%	0.859	70%	0.701	S	S	*	*			trans	69.9	158.3	-162.1	75.3	0	0	0	0	113
837	T	27.2	Very low	29.5	Very low	110 Å²	110	132.9 Å²	132.9	68%	0.675	71%	0.707	S	S	*	*			cis	-149.3	138.8	11.8	-18.2	0	0	0	0	111.3
838	I	29.1	Very low	29.7	Very low	140 Å²	140	130.5 Å²	130.5	72%	0.718	70%	0.703	S	S	*	*			trans	29.5	130.9	135.4	-52.6	173.4	0	0	0	118.7
839	H	29.7	Very low	29.3	Very low	147 Å²	147	131.1 Å²	131.1	68%	0.681	70%	0.703	S	S	*	*				-173.2	135.2	120.7	-111.7	-103.5	0	0	0	113.3
840	E	28.9	Very low	29.1	Very low	159 Å²	159	130.8 Å²	130.8	74%	0.743	70%	0.701	S	S	*	*			trans	46.3	149.2	146.3	-71	163.7	165.1	0	0	121.7
841	T	28.7	Very low	29	Very low	120 Å²	120	128.1 Å²	128.1	74%	0.736	70%	0.695	S	S	*	*			cis	-150.4	145.6	0.5	5.5	0	0	0	0	106.8
842	H	25.8	Very low	29	Very low	165 Å²	165	128.4 Å²	128.4	76%	0.764	70%	0.697	S	S	*	*				56.5	145.4	84	-150.2	-79.8	0	0	0	116.1
843	V	29.7	Very low	29.1	Very low	120 Å²	120	126.5 Å²	126.5	73%	0.727	70%	0.697	S	S	*	*			trans	77.4	147.4	177.9	-172.3	0	0	0	0	115
844	E	28.8	Very low	29.3	Very low	144 Å²	144	123.4 Å²	123.4	67%	0.673	70%	0.698	S	S	*	*			cis	-173.4	155	-37.2	-163.1	169.3	174	0	0	109.7
845	T	28.9	Very low	29.6	Very low	105 Å²	105	122.5 Å²	122.5	64%	0.644	69%	0.694	S	S	*	*			trans	60.1	152.6	157.8	32.2	0	0	0	0	122.8
846	C	29.6	Very low	29.4	Very low	112 Å²	112	124.7 Å²	124.7	76%	0.757	70%	0.701	S	S	*	*			trans	65.8	133.6	149.9	-72.7	0	0	0	0	118.9
847	D	29.9	Very low	29.6	Very low	142 Å²	142	123.3 Å²	123.3	76%	0.759	70%	0.698	S	S	*	*			cis	62.5	137.1	11.7	-153.5	62.9	0	0	0	116.2
848	P	36.6	Very low	30	Very low	80 Å²	80	123.2 Å²	123.2	52%	0.519	70%	0.698	S	S	.	*			cis	-118.2	-135.7	-22.7	23.9	-0.4	0	0	0	108.9
849	K	28.6	Very low	29.9	Very low	148 Å²	148	124.4 Å²	124.4	64%	0.643	70%	0.701	S	S	*	*			trans	55.7	139.4	138.2	-71.4	177.9	-165.3	167.2	0	119.5
850	D	30.1	Very low	29.9	Very low	114 Å²	114	122.7 Å²	122.7	61%	0.61	70%	0.701	S	S	*	*			cis	-167.5	151.9	18.8	-114.7	-17	0	0	0	114.2
851	L	30.5	Very low	30	Very low	126 Å²	126	117 Å²	117	66%	0.66	68%	0.684	S	S	*	*			trans	61.9	125.4	135.3	-57.7	167.7	0	0	0	123.6
852	I	30.3	Very low	30.1	Very low	143 Å²	143	115.1 Å²	115.1	73%	0.733	68%	0.676	S	S	*	*				71.6	136.8	120	-68.8	179.8	0	0	0	119.9
853	P	28.9	Very low	30.3	Very low	108 Å²	108	115 Å²	115	70%	0.701	68%	0.676	S	S	*	*			cis	-144.9	-171.5	-26.1	43.1	-23.8	0	0	0	114.1
854	A	33.1	Very low	30.5	Very low	89 Å²	89	116.2 Å²	116.2	74%	0.736	67%	0.669	S	S	*	*			trans	-80.4	154.1	149.3	0	0	0	0	0	109.5
855	P	30.6	Very low	30.7	Very low	110 Å²	110	118.4 Å²	118.4	71%	0.714	68%	0.678	S	S	*	*				-157	-169.8	86.8	38.3	-16.2	0	0	0	116.5
856	S	27.6	Very low	30.9	Very low	96 Å²	96	118.2 Å²	118.2	67%	0.671	68%	0.682	S	S	*	*			trans	66.1	97.1	147	56.4	0	0	0	0	121.1
857	S	30	Very low	30.9	Very low	112 Å²	112	120 Å²	120	78%	0.783	69%	0.688	S	S	*	*				16.9	154.7	94.8	-55.6	0	0	0	0	119.7
858	P	34.8	Very low	30.9	Very low	107 Å²	107	117.7 Å²	117.7	70%	0.695	68%	0.684	S	S	*	*			cis	-143.8	-157.2	-6.2	37.2	-13.2	0	0	0	115
859	E	27.9	Very low	30.7	Very low	166 Å²	166	121.3 Å²	121.3	78%	0.776	70%	0.698	S	S	*	*			trans	74.8	119.5	150.9	-74.1	-174.2	144.6	0	0	120.7
860	V	29.5	Very low	30.9	Very low	110 Å²	110	121.9 Å²	121.9	67%	0.667	71%	0.705	S	S	*	*				90.5	140.4	98.8	169.9	0	0	0	0	112.6
861	G	29.6	Very low	31	Very low	39 Å²	39	121 Å²	121	40%	0.402	70%	0.7	S	S	.	*			cis	-112.8	-174.6	0.1	0	0	0	0	0	113.5	R309	R309-G861 PolarHBondContact NH1-O 2.82Å
862	S	31.4	Very low	31	Very low	81 Å²	81	117 Å²	117	57%	0.566	69%	0.685	S	S	*	*				65.2	138.6	57.7	69	0	0	0	0	112.7
863	E	29.9	Very low	31	Very low	164 Å²	164	113.1 Å²	113.1	77%	0.766	66%	0.664	S	S	*	*			cis	-151.3	-177.4	31.6	-151.5	146.9	-141.1	0	0	115.2
864	Y	33.5	Very low	31.1	Very low	145 Å²	145	113 Å²	113	57%	0.569	66%	0.655	S	S	*	*			trans	-78.5	163.1	-164.4	-61.3	-100.2	0	0	0	116.4	R309	R309-Y864 PolarHBondContact O-OH 3.17Å
865	H	33.3	Very low	31	Very low	189 Å²	189	115.8 Å²	115.8	88%	0.875	66%	0.656	S	S	*	*				-169.2	162	104.7	-103.4	-69.3	0	0	0	115
866	S	32.4	Very low	31.4	Very low	102 Å²	102	115.8 Å²	115.8	71%	0.713	66%	0.656	S	S	*	*			trans	-158.4	166.7	-167.4	57.2	0	0	0	0	113.7
867	V	31	Very low	31.5	Very low	148 Å²	148	119.9 Å²	119.9	90%	0.897	66%	0.662	S	S	*	*			trans	-141	174.7	-178.8	-154.1	0	0	0	0	110.6
868	S	29.7	Very low	31.5	Very low	94 Å²	94	122.4 Å²	122.4	66%	0.657	66%	0.661	S	S	*	*			trans	-161.9	-166.6	-177.7	-167.1	0	0	0	0	112.6
869	L	31.5	Very low	31.4	Very low	156 Å²	156	125.1 Å²	125.1	82%	0.817	67%	0.668	S	S	*	*			trans	101	148.1	174	-76.9	60.2	0	0	0	117.2
870	M	32.4	Very low	31.9	Very low	161 Å²	161	122.1 Å²	122.1	79%	0.793	66%	0.663	S	S	*	*			cis	174.9	169.5	-34.5	-124.8	73.8	-175.3	0	0	108.3
871	D	32.3	Very low	32.1	Very low	94 Å²	94	124 Å²	124	50%	0.503	67%	0.669	S	S	.	*			cis	-146.8	-114.6	-8.8	-176.5	3.1	0	0	0	108.9	Q873	D871-Q873 PolarHBondContact OD1-NE2 3.44Å; D871-Q873 PolarHBondContact OD2-NE2 2.93Å
872	A	30.7	Very low	32.2	Very low	42 Å²	42	129.4 Å²	129.4	35%	0.347	69%	0.688	S	S	.	*			cis	-163.8	78.6	-13.7	0	0	0	0	0	116.4	P1680 P1682	A872-P1680 WeakPolarHBondContact O-CB 3.46Å; A872-P1680 WeakPolarHBondContact O-CG 3.06Å; A872-P1682 HydrophobicContact CB-CB 3.69Å; A872-P1682 HydrophobicContact CB-CG 3.73Å
873	Q	31.6	Very low	32.3	Very low	62 Å²	62	128.3 Å²	128.3	29%	0.29	69%	0.69	S	S	.	*			trans	60.2	-164.1	143.6	-77.8	135.2	86.3	0	0	117.1	D871 Y1679 P1680 P1682	D871-Q873 PolarHBondContact OD1-NE2 3.44Å; D871-Q873 PolarHBondContact OD2-NE2 2.93Å; Q873-Y1679 WeakPolarHBondContact O-CD1 3.41Å; Q873-P1680 VanDerWaalsContact C-CB 3.49Å; Q873-P1680 VanDerWaalsContact O-CB 3.29Å; Q873-P1680 WeakPolarHBondContact O-CB 3.12Å; Q873-P1682 HydrophobicContact CB-CB 4.08Å; Q873-P1682 VanDerWaalsContact CD-CB 3.41Å; Q873-P1682 HydrophobicContact CG-CB 4.35Å; Q873-P1682 VanDerWaalsContact OE1-CB 3.28Å
874	M	30.9	Very low	32.3	Very low	107 Å²	107	129.5 Å²	129.5	53%	0.527	70%	0.695	S	S	.	*			cis	-165	-173.6	-39.7	-91.5	-78.3	-177.2	0	0	107.3	P1680	M874-P1680 WeakPolarHBondContact O-CA 3.18Å
875	I	30.8	Very low	32.1	Very low	146 Å²	146	128.1 Å²	128.1	75%	0.749	70%	0.702	S	S	*	*				-145.1	165.5	-67.5	-124.7	-168.1	0	0	0	110
876	P	37.8	Very low	31.9	Very low	110 Å²	110	123.4 Å²	123.4	71%	0.714	69%	0.691	S	S	*	*			trans	-109.4	179	-166.4	42.8	-38.6	0	0	0	118.1
877	K	30.7	Very low	31.8	Very low	182 Å²	182	125 Å²	125	79%	0.791	69%	0.691	S	S	*	*			trans	175.4	134.7	149.1	-97.6	168.1	177.5	-175.8	0	111.9
878	E	30.5	Very low	31.7	Very low	165 Å²	165	122.2 Å²	122.2	77%	0.771	68%	0.683	S	S	*	*				75.6	116	67.9	-69.8	-166.9	135.3	0	0	117.7
879	I	32.4	Very low	31.7	Very low	165 Å²	165	123.4 Å²	123.4	85%	0.846	69%	0.687	S	S	*	*				170.3	149.1	119.1	-89.1	169.8	0	0	0	111
880	P	37.6	Very low	31.5	Very low	102 Å²	102	121.6 Å²	121.6	66%	0.662	68%	0.683	S	S	*	*			trans	-127.6	-161.4	-162	37.5	-16.7	0	0	0	115.8
881	L	35	Very low	31.3	Very low	151 Å²	151	120.2 Å²	120.2	79%	0.791	68%	0.683	S	S	*	*			trans	83.2	144.3	172.1	-49.7	173	0	0	0	115.2
882	D	31.4	Very low	31	Very low	152 Å²	152	121.5 Å²	121.5	81%	0.813	69%	0.694	S	S	*	*			cis	-159.3	166.6	-4.2	-132.7	-29	0	0	0	112.2
883	G	32.4	Very low	30.8	Very low	58 Å²	58	127 Å²	127	60%	0.598	71%	0.714	S	S	*	*			trans	115.9	110.9	149.7	0	0	0	0	0	120.9
884	Q	30.5	Very low	30.7	Very low	188 Å²	188	131.3 Å²	131.3	88%	0.879	74%	0.739	S	S	*	*				51.4	138.2	127.9	-59.2	-175	-6.9	0	0	121.2
885	T	30.2	Very low	30.6	Very low	116 Å²	116	131.1 Å²	131.1	71%	0.712	75%	0.746	S	S	*	*			cis	-164.6	152.3	-0.3	10.9	0	0	0	0	112.5
886	S	29	Very low	30.4	Very low	91 Å²	91	131.1 Å²	131.1	64%	0.636	75%	0.746	S	S	*	*			trans	61.1	117.1	143.9	67.9	0	0	0	0	123.2
887	N	29.8	Very low	29.9	Very low	136 Å²	136	133.5 Å²	133.5	73%	0.727	75%	0.752	S	S	*	*			trans	95.4	133.3	131.5	-62	-1.1	0	0	0	121.4
888	A	29	Very low	29.7	Very low	88 Å²	88	128.5 Å²	128.5	73%	0.727	75%	0.745	S	S	*	*			trans	-91.5	-177.7	172.9	0	0	0	0	0	110.6
889	T	28.7	Very low	29.5	Very low	119 Å²	119	125.8 Å²	125.8	73%	0.73	74%	0.744	S	S	*	*				-176	159.9	58.5	-42	0	0	0	0	110.6
890	T	28	Very low	29.5	Very low	119 Å²	119	123.5 Å²	123.5	73%	0.73	74%	0.743	S	S	*	*			trans	60.8	110.5	160.4	35	0	0	0	0	117.8
891	V	27.5	Very low	29.3	Very low	131 Å²	131	124.1 Å²	124.1	79%	0.794	75%	0.746	S	S	*	*				74.1	119.5	75.2	169.8	0	0	0	0	113.7
892	V	27.3	Very low	28.9	Very low	121 Å²	121	121.1 Å²	121.1	73%	0.733	74%	0.738	S	S	*	*				-171.5	124.7	123.4	146	0	0	0	0	109.5
893	M	26.6	Very low	28.8	Very low	158 Å²	158	119.6 Å²	119.6	78%	0.778	73%	0.73	S	S	*	*			trans	32.9	127.3	152.2	-56.1	176.6	-174.7	0	0	121.1
894	N	27.9	Very low	28.8	Very low	153 Å²	153	125.1 Å²	125.1	82%	0.818	74%	0.738	S	S	*	*				-145.9	120.5	104.4	-120	-14	0	0	0	111.2
895	P	29.3	Very low	28.5	Very low	103 Å²	103	118.7 Å²	118.7	67%	0.669	71%	0.71	S	S	*	*			trans	-89.6	121.4	171.7	33.4	-29.4	0	0	0	110.3
896	I	27.1	Very low	28.4	Very low	145 Å²	145	116.5 Å²	116.5	74%	0.744	70%	0.699	S	S	*	*			trans	-166.4	134.3	169.7	-109.8	150	0	0	0	108.9
897	L	26.2	Very low	28.3	Very low	160 Å²	160	115.4 Å²	115.4	84%	0.838	69%	0.691	S	S	*	*			trans	38.5	138.9	151.7	-52.9	176.4	0	0	0	120.3
898	A	26.4	Very low	28.2	Very low	78 Å²	78	115.3 Å²	115.3	65%	0.645	69%	0.69	S	S	*	*			cis	-171.9	-170.2	-6.6	0	0	0	0	0	108.9
899	S	28.2	Very low	28.2	Very low	107 Å²	107	117.1 Å²	117.1	75%	0.748	69%	0.687	S	S	*	*			trans	59.7	105.4	152.5	51.2	0	0	0	0	119.5
900	S	30.7	Very low	28.1	Very low	118 Å²	118	118.8 Å²	118.8	83%	0.825	69%	0.691	S	S	*	*			trans	-47.5	148.1	138.3	-20.6	0	0	0	0	111.1
901	P	34.3	Very low	28.3	Very low	114 Å²	114	118.6 Å²	118.6	74%	0.74	70%	0.695	S	S	*	*				-151.4	177.7	99.8	34.8	-15.9	0	0	0	114.7
902	S	27.4	Very low	28.3	Very low	89 Å²	89	118 Å²	118	62%	0.622	69%	0.691	S	S	*	*			cis	179.7	144.2	-36.2	61.9	0	0	0	0	109.9
903	N	29.2	Very low	28.6	Very low	120 Å²	120	119.3 Å²	119.3	64%	0.642	70%	0.699	S	S	*	*			trans	66	177.7	162	-49	5.7	0	0	0	114.7
904	F	30.7	Very low	28.8	Very low	174 Å²	174	118.2 Å²	118.2	76%	0.763	69%	0.692	S	S	*	*			cis	-138.8	123.7	10.9	-117.2	-96.6	0	0	0	110.5
905	D	25.6	Very low	29.1	Very low	53 Å²	53	119.9 Å²	119.9	28%	0.283	70%	0.695	S	S	.	*				46.5	150.8	95.8	-67.3	61.9	0	0	0	121.4	S1471	D905-S1471 VanDerWaalsContact CA-OG 3.27Å; D905-S1471 WeakPolarHBondContact CA-OG 3.46Å; D905-S1471 WeakPolarHBondContact CB-OG 3.47Å; D905-S1471 WeakPolarHBondContact OD1-CB 3.41Å; D905-S1471 WeakPolarHBondContact OD2-CB 3.43Å; D905-S1471 PolarHBondContact OD2-OG 2.87Å
906	S	27.5	Very low	29.1	Very low	69 Å²	69	120.7 Å²	120.7	48%	0.483	69%	0.693	S	S	.	*			cis	-157.4	149.1	-4.6	-153.1	0	0	0	0	113.4	E1470 S1471	S906-E1470 CarbonylContact C-O 3.51Å; S906-E1470 WeakPolarHBondContact CA-O 3.29Å; S906-S1471 WeakPolarHBondContact CA-OG 3.03Å; S906-S1471 VanDerWaalsContact CB-OG 3.32Å; S906-S1471 WeakPolarHBondContact CB-OG 2.99Å; S906-S1471 PolarHBondContact OG-OG 2.83Å
907	C	27.2	Very low	29.5	Very low	69 Å²	69	121.7 Å²	121.7	47%	0.466	70%	0.698	S	S	.	*			trans	55.8	141.3	136.4	-92.8	0	0	0	0	125.1	E1470	C907-E1470 PolarHBondContact N-O 2.93Å
908	N	27.9	Very low	29.8	Very low	134 Å²	134	117.5 Å²	117.5	72%	0.717	68%	0.682	S	S	*	*			trans	75.3	149.8	140.8	-62.4	-21.7	0	0	0	119.6
909	N	27.7	Very low	30	Very low	125 Å²	125	120.4 Å²	120.4	67%	0.668	69%	0.692	S	S	*	*			cis	-158.4	160.3	13.8	-137.1	-20.9	0	0	0	113.8
910	L	28.5	Very low	30.1	Very low	155 Å²	155	121.6 Å²	121.6	81%	0.812	69%	0.69	S	S	*	*			trans	56.5	125.6	158.1	-60.2	161.4	0	0	0	118.4
911	S	30.2	Very low	30.1	Very low	114 Å²	114	123.2 Å²	123.2	80%	0.797	69%	0.686	S	S	*	*			cis	-178	142.9	48.4	-179.1	0	0	0	0	113.7
912	V	29.2	Very low	30	Very low	120 Å²	120	127.3 Å²	127.3	73%	0.727	70%	0.696	S	S	*	*			trans	-35.6	138.9	167.2	176.7	0	0	0	0	118.6
913	V	33.8	Very low	30.2	Very low	147 Å²	147	129.9 Å²	129.9	89%	0.891	70%	0.701	S	S	*	*				-153.3	148.3	128.2	173.7	0	0	0	0	110.1
914	H	30.1	Very low	30.3	Very low	136 Å²	136	130.4 Å²	130.4	63%	0.63	70%	0.704	S	S	*	*			trans	-91.9	153.8	-176.8	-96.9	-96.8	0	0	0	116.2	N916	H914-N916 PolarHBondContact ND1-OD1 3.29Å
915	Q	33.4	Very low	30.3	Very low	188 Å²	188	127.7 Å²	127.7	88%	0.879	70%	0.697	S	S	*	*			trans	179.9	112.2	131.4	-97.5	164.7	34.2	0	0	107.3
916	N	30.1	Very low	30.5	Very low	119 Å²	119	131.7 Å²	131.7	64%	0.636	72%	0.718	S	S	*	*				54.6	121.1	60.3	-55.5	27.2	0	0	0	110.3	H914	H914-N916 PolarHBondContact ND1-OD1 3.29Å
917	I	35	Very low	30.6	Very low	166 Å²	166	135.8 Å²	135.8	85%	0.851	74%	0.735	S	S	*	*				-167.8	149.9	63.8	-76.5	162.4	0	0	0	108.2
918	S	32.5	Very low	31	Very low	72 Å²	72	136.8 Å²	136.8	50%	0.503	74%	0.74	S	S	.	*			cis	-154.4	150.1	-31.2	62.7	0	0	0	0	108.8	D920	S918-D920 WeakPolarHBondContact CB-OD2 3Å; S918-D920 PolarHBondContact OG-OD2 3.31Å
919	V	30.2	Very low	31.1	Very low	139 Å²	139	134.5 Å²	134.5	84%	0.842	73%	0.734	S	S	*	*			trans	-121.4	96.2	167.3	173.2	0	0	0	0	105.6	M921	V919-M921 PolarHBondContact O-N 2.67Å
920	D	31.1	Very low	31.3	Very low	132 Å²	132	133.5 Å²	133.5	71%	0.706	73%	0.729	S	S	*	*			trans	-97.5	96.4	-172.5	-61.2	-50.7	0	0	0	110.7	S918	S918-D920 WeakPolarHBondContact CB-OD2 3Å; S918-D920 PolarHBondContact OG-OD2 3.31Å
921	M	30.9	Very low	31.4	Very low	152 Å²	152	134 Å²	134	75%	0.749	73%	0.727	S	S	*	*			trans	-85.7	110.8	154.1	-60.8	-174.7	-58.1	0	0	107.8	V919 I923	V919-M921 PolarHBondContact O-N 2.67Å; M921-I923 HydrophobicContact CB-CG1 4.43Å; M921-I923 HydrophobicContact CE-CD1 4.47Å
922	E	32	Very low	31.3	Very low	201 Å²	201	133.4 Å²	133.4	94%	0.939	72%	0.722	S	S	*	*			trans	-93.4	100.1	156.5	-73.4	-169.2	151	0	0	108.3
923	I	31.8	Very low	31.4	Very low	143 Å²	143	132.2 Å²	132.2	73%	0.733	72%	0.72	S	S	*	*			trans	-87.7	115.2	166.5	-62.4	166.3	0	0	0	106.1	M921	M921-I923 HydrophobicContact CB-CG1 4.43Å; M921-I923 HydrophobicContact CE-CD1 4.47Å
924	D	31	Very low	31.3	Very low	131 Å²	131	130.8 Å²	130.8	70%	0.701	70%	0.698	S	S	*	*			trans	-157.7	157.6	155.1	-144.2	-7.2	0	0	0	114.7
925	N	30.5	Very low	31.5	Very low	116 Å²	116	127.1 Å²	127.1	62%	0.62	68%	0.683	S	S	*	*			trans	69.6	84.8	162.7	-66	-65.6	0	0	0	121.3
926	N	29.7	Very low	31.6	Very low	137 Å²	137	121.5 Å²	121.5	73%	0.733	66%	0.659	S	S	*	*				53.8	86.9	108.1	-57.5	-43.5	0	0	0	120.3
927	D	30.4	Very low	31.9	Very low	156 Å²	156	122.5 Å²	122.5	83%	0.834	66%	0.658	S	S	*	*				45.8	165.7	116.9	-108.2	23.9	0	0	0	123.1
928	P	35.3	Very low	31.9	Very low	89 Å²	89	118.5 Å²	118.5	58%	0.578	64%	0.644	S	S	*	*				-142.3	-164	-122.1	40.9	-16.9	0	0	0	117
929	C	30.2	Very low	32.1	Very low	86 Å²	86	121.6 Å²	121.6	58%	0.581	66%	0.656	S	S	*	*			trans	68.3	120.7	154.7	-70.3	0	0	0	0	120.9
930	D	30.8	Very low	32.3	Very low	104 Å²	104	122 Å²	122	56%	0.556	65%	0.65	S	S	*	*				-179.8	145.5	98.4	-88.3	-31.8	0	0	0	109.1
931	Q	30.7	Very low	32.4	Very low	166 Å²	166	122.5 Å²	122.5	78%	0.776	65%	0.648	S	S	*	*			cis	95.6	152.2	34	-74.1	-132.3	44.6	0	0	115.6
932	S	29.5	Very low	32.5	Very low	101 Å²	101	121.7 Å²	121.7	71%	0.706	65%	0.645	S	S	*	*			trans	70.3	158.7	-173.9	99.4	0	0	0	0	114.5
933	S	29.9	Very low	32.5	Very low	96 Å²	96	119 Å²	119	67%	0.671	64%	0.637	S	S	*	*			cis	-157	161.9	-2.9	14.4	0	0	0	0	111.4
934	R	32	Very low	32.7	Very low	116 Å²	116	120.3 Å²	120.3	44%	0.438	64%	0.64	S	S	.	*			cis	173.6	176.9	-18.7	-100.6	169.8	90.1	176.7	29.8	107.4	D1155 S1156 N1157	R934-D1155 IonicContact CZ-OD1 3.71Å; R934-D1155 IonicContact NH1-OD1 2.87Å; R934-D1155 PolarHBondContact NH1-OD1 3.29Å; R934-S1156 PolarHBondContact NH1-OG 3.34Å; R934-N1157 PolarHBondContact NH2-OD1 3Å
935	L	35.2	Very low	33	Very low	60 Å²	60	118.4 Å²	118.4	31%	0.314	64%	0.635	S	S	.	*			trans	72.8	159.8	149.5	-60	133.8	0	0	0	120	G1153 T1154 D1155	L935-G1153 CarbonylContact C-O 3.51Å; L935-G1153 WeakPolarHBondContact CB-O 3.39Å; L935-T1154 HydrophobicContact CB-CG2 4.46Å; L935-T1154 HydrophobicContact CD1-CG2 3.97Å; L935-D1155 HydrophobicContact CD1-CB 4.15Å; L935-D1155 VanDerWaalsContact CD1-CG 3.42Å; L935-D1155 VanDerWaalsContact CD1-OD2 3.26Å; L935-D1155 WeakPolarHBondContact CD1-OD2 3.41Å
936	D	34.7	Very low	33.1	Very low	69 Å²	69	118.3 Å²	118.3	37%	0.369	63%	0.629	S	S	.	*			cis	-158.5	171.4	1.1	-134.6	-21	0	0	0	117.6	T1154 D1155	D936-T1154 WeakPolarHBondContact OD2-CA 3.38Å; D936-D1155 PolarHBondContact OD2-N 3.25Å
937	K	37	Very low	33.2	Very low	140 Å²	140	115.2 Å²	115.2	61%	0.609	63%	0.629	S	S	*	*			trans	55.4	148.3	145.7	-76.4	157.2	177.7	115.6	0	121	T1154	K937-T1154 VanDerWaalsContact NZ-C 3.34Å; K937-T1154 PolarHBondContact NZ-O 2.8Å
938	S	33.7	Very low	33.3	Very low	82 Å²	82	114 Å²	114	57%	0.573	62%	0.619	S	S	*	*			cis	-168.4	176.2	-12	51	0	0	0	0	112.3
939	D	36.9	Very low	33.1	Very low	138 Å²	138	116.6 Å²	116.6	74%	0.738	63%	0.627	S	S	*	*			trans	71.5	146.2	153	-52	-37.5	0	0	0	119.4
940	M	34.9	Very low	33.2	Very low	147 Å²	147	116.3 Å²	116.3	72%	0.724	63%	0.631	S	S	*	*			cis	-152.5	135.4	5	-134.1	162.4	64	0	0	112.3
941	E	33.3	Very low	33.2	Very low	143 Å²	143	116.9 Å²	116.9	67%	0.668	63%	0.634	S	S	*	*			trans	63.3	126.6	134.2	-74.9	-176	161.4	0	0	124.9
942	I	32.9	Very low	33.3	Very low	134 Å²	134	115.9 Å²	115.9	69%	0.687	64%	0.64	S	S	*	*				67.4	132.3	118.2	-64.3	174	0	0	0	118.6
943	D	32.4	Very low	33.2	Very low	144 Å²	144	116.5 Å²	116.5	77%	0.77	64%	0.644	S	S	*	*			cis	-147	161.8	12	-132.2	-12.9	0	0	0	115
944	H	36.2	Very low	33.4	Very low	172 Å²	172	116.9 Å²	116.9	80%	0.796	64%	0.644	S	S	*	*			trans	-120	165.8	165.1	-106	-25.6	0	0	0	107
945	P	37.6	Very low	33.1	Very low	91 Å²	91	119 Å²	119	59%	0.591	66%	0.663	S	S	*	*				-172.1	-171.8	71.8	48.4	-25.4	0	0	0	120.4
946	F	31.9	Very low	32.7	Very low	113 Å²	113	122.5 Å²	122.5	50%	0.496	69%	0.687	S	S	.	*			trans	52	146.1	155.2	-57.5	-54.8	0	0	0	121.2	G1164	F946-G1164 WeakPolarHBondContact CD2-O 3.49Å; F946-G1164 VanDerWaalsContact CE2-CA 3.47Å; F946-G1164 VanDerWaalsContact CE2-N 3.32Å; F946-G1164 WeakPolarHBondContact CE2-O 3.48Å
947	G	32.1	Very low	32.2	Very low	72 Å²	72	126.2 Å²	126.2	74%	0.742	71%	0.706	S	S	*	*			cis	174.5	-174.3	1	0	0	0	0	0	109.6
948	Q	31.8	Very low	31.8	Very low	130 Å²	130	128.7 Å²	128.7	61%	0.607	72%	0.717	S	S	*	*			cis	-154.5	154.5	-6.9	-88.8	-165.9	-43.6	0	0	109.8
949	L	32.2	Very low	31.4	Very low	144 Å²	144	133.8 Å²	133.8	75%	0.754	73%	0.729	S	S	*	*			trans	16.3	159.1	141.2	-70	122.5	0	0	0	122.3
950	A	32.5	Very low	31	Very low	81 Å²	81	135.4 Å²	135.4	67%	0.669	73%	0.732	S	S	*	*			cis	-152.7	141	11	0	0	0	0	0	109.8
951	N	29.8	Very low	30.7	Very low	115 Å²	115	137.2 Å²	137.2	62%	0.615	74%	0.739	S	S	*	*				65	91	77.2	-78.1	5	0	0	0	117.1
952	T	33.4	Very low	30.5	Very low	146 Å²	146	135.8 Å²	135.8	90%	0.896	74%	0.742	S	S	*	*			trans	-147.8	118.8	152.7	51.1	0	0	0	0	111.8
953	S	27.2	Very low	30.7	Very low	114 Å²	114	133.1 Å²	133.1	80%	0.797	74%	0.74	S	S	*	*			trans	-105.1	173.1	163.6	54.3	0	0	0	0	109.3
954	P	33	Very low	30.8	Very low	104 Å²	104	132.6 Å²	132.6	68%	0.675	74%	0.744	S	S	*	*			cis	-139.2	-163.1	13.2	44.4	-24.7	0	0	0	115
955	L	25.7	Very low	30.7	Very low	160 Å²	160	131.4 Å²	131.4	84%	0.838	74%	0.744	S	S	*	*			trans	43.3	105.2	153.2	-69.9	167.7	0	0	0	120
956	T	27.5	Very low	31.1	Very low	133 Å²	133	131.7 Å²	131.7	82%	0.816	75%	0.746	S	S	*	*			trans	174.7	140.2	136.1	25.4	0	0	0	0	108.4
957	L	25.1	Very low	31.2	Very low	147 Å²	147	132.3 Å²	132.3	77%	0.77	76%	0.761	S	S	*	*				48	90.3	77.9	-85.2	171.4	0	0	0	115.5
958	K	27.6	Very low	31.3	Very low	193 Å²	193	134.6 Å²	134.6	84%	0.839	75%	0.751	S	S	*	*			trans	177.1	126.7	140.6	-94.4	148.2	-172	179.3	0	109.7
959	F	26.5	Very low	31.3	Very low	188 Å²	188	133.6 Å²	133.6	83%	0.825	75%	0.753	S	S	*	*				94	135.3	61.9	-98.3	-79.9	0	0	0	112.9
960	H	27.4	Very low	31.3	Very low	173 Å²	173	127.9 Å²	127.9	80%	0.801	73%	0.725	S	S	*	*			trans	-28.7	149.4	177.3	-100	-77.8	0	0	0	119.7
961	E	29.2	Very low	31.1	Very low	184 Å²	184	129.7 Å²	129.7	86%	0.86	72%	0.723	S	S	*	*			trans	-122.4	148.2	138	-163.6	160.5	-149.7	0	0	108.5
962	P	28.9	Very low	31	Very low	114 Å²	114	132.3 Å²	132.3	74%	0.74	72%	0.724	S	S	*	*			trans	-105	167.2	-165.6	39	-34.4	0	0	0	115.7
963	A	36.4	Very low	30.7	Very low	78 Å²	78	129.1 Å²	129.1	65%	0.645	71%	0.708	S	S	*	*			trans	-91.6	161.1	-176.7	0	0	0	0	0	114.6
964	P	35.1	Very low	31.1	Very low	132 Å²	132	129.5 Å²	129.5	86%	0.857	71%	0.709	S	S	*	*			trans	-76.6	135.5	157.3	32.6	-31.7	0	0	0	111.2
965	N	33	Very low	31	Very low	147 Å²	147	129.5 Å²	129.5	79%	0.786	71%	0.709	S	S	*	*			trans	-125.5	174.6	-177.2	-112.9	-39.6	0	0	0	108.3
966	P	46.9	Very low	31.1	Very low	98 Å²	98	126.2 Å²	126.2	64%	0.636	70%	0.7	S	S	*	*			cis	-126	-128.6	-24	34.9	-11.4	0	0	0	108.4
967	P	34.3	Very low	31	Very low	126 Å²	126	127.6 Å²	127.6	82%	0.818	70%	0.697	S	S	*	*			cis	-109.8	139.9	18	27.4	-8.5	0	0	0	116.2
968	K	32.9	Very low	31.1	Very low	119 Å²	119	127 Å²	127	52%	0.517	69%	0.694	S	S	.	*			trans	-42	143.5	162.4	-63.1	179.1	177.9	-170.1	0	111.6	T970	K968-T970 HydrophobicContact CB-CG2 3.62Å; K968-T970 HydrophobicContact CD-CG2 4.36Å; K968-T970 HydrophobicContact CG-CG2 3.89Å
969	T	33.4	Very low	30.9	Very low	109 Å²	109	121.5 Å²	121.5	67%	0.669	68%	0.68	S	S	*	*				-146.1	173.4	77.3	50.9	0	0	0	0	116.2	Y1220	T969-Y1220 VanDerWaalsContact CB-CE2 3.45Å; T969-Y1220 HydrophobicContact CG2-CD2 3.53Å; T969-Y1220 HydrophobicContact CG2-CE2 3.41Å; T969-Y1220 VanDerWaalsContact CG2-CE2 3.41Å
970	T	31	Very low	30.9	Very low	24 Å²	24	120 Å²	120	15%	0.147	68%	0.679	C	S	.	*				-177.2	98.6	-91.1	40.7	0	0	0	0	118.7	K968 Y1220 I1221	K968-T970 HydrophobicContact CB-CG2 3.62Å; K968-T970 HydrophobicContact CD-CG2 4.36Å; K968-T970 HydrophobicContact CG-CG2 3.89Å; T970-Y1220 WeakPolarHBondContact O-CD1 3.46Å; T970-Y1220 VanDerWaalsContact OG1-CB 3.29Å; T970-Y1220 WeakPolarHBondContact OG1-CB 3.44Å; T970-Y1220 WeakPolarHBondContact OG1-CD2 3.04Å; T970-I1221 HydrophobicContact CG2-CB 3.72Å; T970-I1221 HydrophobicContact CG2-CD1 3.51Å; T970-I1221 HydrophobicContact CG2-CG1 3.91Å; T970-I1221 HydrophobicContact CG2-CG2 4.28Å; T970-I1221 PolarHBondContact O-N 3.22Å; T970-I1221 VanDerWaalsContact O-N 3.14Å
971	N	29.5	Very low	30.8	Very low	120 Å²	120	119.3 Å²	119.3	64%	0.642	68%	0.68	S	S	*	*			trans	32.9	-172	161.9	-41.8	-2.9	0	0	0	121	I1221	N971-I1221 HydrophobicContact CB-CD1 3.66Å; N971-I1221 HydrophobicContact CB-CG1 3.49Å; N971-I1221 VanDerWaalsContact CB-CG1 3.49Å; N971-I1221 VanDerWaalsContact ND2-CD1 3.31Å; N971-I1221 WeakPolarHBondContact ND2-CD1 3.35Å; N971-I1221 WeakPolarHBondContact OD1-CD1 3.17Å
972	W	28	Very low	30.7	Very low	169 Å²	169	116.2 Å²	116.2	64%	0.64	67%	0.673	S	S	*	*			cis	-116	152	17.6	-63.2	69.2	0	0	0	111.5	Y1220 S1222	W972-Y1220 PolarHBondContact NE1-O 3.11Å; W972-S1222 VanDerWaalsContact CZ2-N 3.32Å; W972-S1222 WeakPolarHBondContact CZ2-OG 3.26Å
973	S	25.1	Very low	30.6	Very low	80 Å²	80	115.5 Å²	115.5	56%	0.559	67%	0.671	S	S	*	*			cis	86	112.7	25.8	78.6	0	0	0	0	117.4
974	C	36.1	Very low	30.1	Very low	121 Å²	121	118.7 Å²	118.7	82%	0.818	68%	0.677	S	S	*	*			trans	-68.4	157.2	167.1	-162.1	0	0	0	0	110.9
975	P	31.3	Very low	29.8	Very low	104 Å²	104	122.5 Å²	122.5	68%	0.675	68%	0.676	S	S	*	*				-156.2	163.9	98.2	42	-23.9	0	0	0	117.9
976	S	28.6	Very low	29.5	Very low	91 Å²	91	126.5 Å²	126.5	64%	0.636	68%	0.68	S	S	*	*			trans	39.6	135.7	140.6	68.5	0	0	0	0	123.4
977	Q	25.6	Very low	28.8	Very low	162 Å²	162	131.5 Å²	131.5	76%	0.757	69%	0.687	S	S	*	*				177.6	145.1	97.7	-97.1	-171.7	30.4	0	0	114.4
978	L	25.6	Very low	28.5	Very low	136 Å²	136	129.5 Å²	129.5	71%	0.712	68%	0.681	S	S	*	*			trans	64.7	149.1	157.7	-61.2	164.2	0	0	0	118.1
979	S	24.7	Very low	28.3	Very low	77 Å²	77	128.9 Å²	128.9	54%	0.538	69%	0.691	S	S	.	*			cis	-169.2	133.6	-13.5	48.3	0	0	0	0	113.1
980	I	26	Very low	28.1	Very low	157 Å²	157	129.1 Å²	129.1	81%	0.805	70%	0.698	S	S	*	*			trans	56.3	145.6	138.7	-45.6	167.1	0	0	0	120.1
981	L	24.2	Very low	28.3	Very low	158 Å²	158	134.1 Å²	134.1	83%	0.827	73%	0.73	S	S	*	*			trans	84.7	145.4	176	-55.2	-179	0	0	0	115.3
982	V	27.8	Very low	28.2	Very low	118 Å²	118	135.5 Å²	135.5	72%	0.715	74%	0.738	S	S	*	*			cis	174.6	127	-28	131.6	0	0	0	0	104.1
983	S	26.3	Very low	28.5	Very low	100 Å²	100	136.3 Å²	136.3	70%	0.699	74%	0.742	S	S	*	*			trans	57.3	155.6	159.3	-56.6	0	0	0	0	123.5
984	D	26.7	Very low	28.7	Very low	144 Å²	144	142.1 Å²	142.1	77%	0.77	75%	0.752	S	S	*	*			trans	77.1	113.4	149.4	-59	-30.2	0	0	0	124.4
985	Y	28.2	Very low	28.5	Very low	212 Å²	212	147.1 Å²	147.1	83%	0.831	75%	0.753	S	S	*	*				38.7	129.3	125.7	-93.1	-75.9	0	0	0	123.4
986	R	27.7	Very low	28.5	Very low	231 Å²	231	146.3 Å²	146.3	87%	0.872	75%	0.75	S	S	*	*			trans	92	109.4	150.9	-62.6	177.8	-179.2	-158.3	1.1	121.3
987	R	31.7	Very low	28.7	Very low	204 Å²	204	148.1 Å²	148.1	77%	0.77	76%	0.757	S	S	*	*				28.8	109.5	118.9	-156.6	-169.6	-144.5	-155.9	9.4	118.7
988	A	28	Very low	29.1	Very low	84 Å²	84	145.9 Å²	145.9	69%	0.694	76%	0.757	S	S	*	*				160	143	108.4	0	0	0	0	0	117.3
989	S	28.1	Very low	30.1	Very low	106 Å²	106	144.9 Å²	144.9	74%	0.741	76%	0.759	S	S	*	*			trans	62.6	115	146.8	50.6	0	0	0	0	124.3
990	S	29.9	Very low	30.9	Very low	114 Å²	114	146.3 Å²	146.3	80%	0.797	77%	0.766	S	S	*	*				51.5	132.2	128.5	-50.7	0	0	0	0	124
991	P	34.6	Very low	31.3	Very low	129 Å²	129	144.9 Å²	144.9	84%	0.838	76%	0.76	S	S	*	*			trans	-90.6	165.4	155.4	37.4	-32.7	0	0	0	112.9
992	N	28.7	Very low	31.8	Very low	148 Å²	148	143.5 Å²	143.5	79%	0.791	75%	0.753	S	S	*	*			trans	-155.1	-179	176.4	-153.8	-22.7	0	0	0	109.6
993	Y	33.6	Very low	32.1	Very low	186 Å²	186	142.1 Å²	142.1	73%	0.729	75%	0.749	S	S	*	*			trans	79.2	142.1	-178.5	-69.2	-110.8	0	0	0	116
994	R	30.5	Very low	32.6	Very low	203 Å²	203	144.7 Å²	144.7	77%	0.766	75%	0.749	S	S	*	*			cis	-162.7	171.9	-8.9	-134.8	-173.7	-167.8	158.1	-1.8	111.8
995	R	31.1	Very low	32.9	Very low	226 Å²	226	144 Å²	144	85%	0.853	75%	0.746	S	S	*	*			trans	73	137.9	162	-82.7	-176.6	-172.8	-117.6	6.2	116.9
996	S	31.7	Very low	33	Very low	87 Å²	87	139.1 Å²	139.1	61%	0.608	74%	0.743	S	S	*	*			cis	-155	144.2	-7.6	-41.6	0	0	0	0	113.1
997	T	31.9	Very low	33.2	Very low	128 Å²	128	133.3 Å²	133.3	79%	0.785	74%	0.737	S	S	*	*			trans	39.7	150	139.1	55.1	0	0	0	0	124.2
998	P	35.3	Very low	33	Very low	116 Å²	116	129.1 Å²	129.1	75%	0.753	74%	0.735	S	S	*	*			cis	-135.8	-139.1	-24.9	41.8	-19.1	0	0	0	112.9
999	P	46	Very low	33.2	Very low	115 Å²	115	133.6 Å²	133.6	75%	0.747	74%	0.741	S	S	*	*			trans	-115.5	-151.7	-136.2	35.5	-8.7	0	0	0	111.9
1000	P	41.4	Very low	33.2	Very low	106 Å²	106	134 Å²	134	69%	0.688	74%	0.743	S	S	*	*			cis	-146.4	-161.9	3.2	46.7	-25.1	0	0	0	117.9
1001	N	33.6	Very low	33.3	Very low	128 Å²	128	133.1 Å²	133.1	68%	0.684	74%	0.737	S	S	*	*			trans	88.5	125.3	153.3	-84.9	56.1	0	0	0	123.9
1002	D	36.1	Very low	33.1	Very low	128 Å²	128	131.4 Å²	131.4	68%	0.684	72%	0.724	S	S	*	*			trans	60.4	100.5	148.3	-51.1	-32.6	0	0	0	119.7
1003	S	32.5	Very low	33.1	Very low	89 Å²	89	134 Å²	134	62%	0.622	73%	0.728	S	S	*	*				91.5	144.7	62.2	77.3	0	0	0	0	112.7
1004	H	38.3	Very low	33	Very low	154 Å²	154	130.4 Å²	130.4	71%	0.713	73%	0.73	S	S	*	*			cis	-144.9	154.9	18.3	-101	-75	0	0	0	113.9
1005	N	33	Very low	32.9	Very low	129 Å²	129	125.3 Å²	125.3	69%	0.69	73%	0.732	S	S	*	*			trans	52.2	130.3	149.8	-50.8	-2.8	0	0	0	120.2
1006	S	29.8	Very low	32.9	Very low	111 Å²	111	120 Å²	120	78%	0.776	72%	0.724	S	S	*	*			cis	77.7	148.4	28.2	95	0	0	0	0	115.5
1007	S	30.5	Very low	32.8	Very low	108 Å²	108	123.9 Å²	123.9	76%	0.755	73%	0.73	S	S	*	*			cis	-148	172.4	4.1	73.3	0	0	0	0	114.4
1008	T	28.5	Very low	32.6	Very low	116 Å²	116	128.5 Å²	128.5	71%	0.712	73%	0.733	S	S	*	*			trans	-72.7	167.1	163.8	46.5	0	0	0	0	112.6
1009	H	32.1	Very low	32.3	Very low	179 Å²	179	126.1 Å²	126.1	83%	0.829	72%	0.723	S	S	*	*				-170.4	162.8	119.2	-114.1	-86.6	0	0	0	114.3
1010	C	28.2	Very low	31.4	Very low	115 Å²	115	128.6 Å²	128.6	78%	0.777	72%	0.724	S	S	*	*			trans	-123.3	167.6	-179.8	-72.8	0	0	0	0	112.1
1011	S	31.8	Very low	30.8	Very low	95 Å²	95	133 Å²	133	66%	0.664	73%	0.727	S	S	*	*			trans	76	156.6	168.3	-132.2	0	0	0	0	115.6
1012	T	30.3	Very low	30.6	Very low	93 Å²	93	133.6 Å²	133.6	57%	0.571	73%	0.73	S	S	*	*			cis	-150.8	177.8	2.1	-29.6	0	0	0	0	110.7
1013	K	30	Very low	30.1	Very low	202 Å²	202	133.1 Å²	133.1	88%	0.878	74%	0.736	S	S	*	*			trans	83.8	145	149.3	-77.6	166.4	-175.5	174.6	0	120.1
1014	S	30	Very low	29.9	Very low	110 Å²	110	132.7 Å²	132.7	77%	0.769	74%	0.738	S	S	*	*			trans	-106.3	142.5	-166.1	52.4	0	0	0	0	113.7
1015	A	29.4	Very low	29.4	Very low	97 Å²	97	136.3 Å²	136.3	80%	0.802	75%	0.747	S	S	*	*			trans	-148	112.2	149.5	0	0	0	0	0	107.4
1016	V	31	Very low	29.2	Very low	115 Å²	115	134.4 Å²	134.4	70%	0.697	75%	0.749	S	S	*	*				94.6	121.4	57.4	164.3	0	0	0	0	112.4
1017	K	29.7	Very low	29.1	Very low	167 Å²	167	134.5 Å²	134.5	73%	0.726	74%	0.741	S	S	*	*			trans	73.2	125.1	161.5	-80.3	164.1	-171.8	165.5	0	120.3
1018	R	28.2	Very low	29	Very low	226 Å²	226	134 Å²	134	85%	0.853	74%	0.737	S	S	*	*			trans	76.8	146.4	135.1	-69.4	176.8	174	163.7	-4.3	117.9
1019	A	28.8	Very low	29.1	Very low	66 Å²	66	135.9 Å²	135.9	55%	0.545	74%	0.736	S	S	.	*			cis	-168.9	158.7	-17.5	0	0	0	0	0	110.6
1020	H	27.3	Very low	29	Very low	166 Å²	166	136.9 Å²	136.9	77%	0.769	73%	0.734	S	S	*	*			trans	66	158.6	155.8	-66	-38.9	0	0	0	115.3
1021	R	28.4	Very low	29.2	Very low	198 Å²	198	136.1 Å²	136.1	75%	0.747	72%	0.722	S	S	*	*			cis	-151.7	146.7	-5.1	-125	164.9	-174.8	-175.5	0	108.5
1022	L	28.7	Very low	29.1	Very low	142 Å²	142	137.7 Å²	137.7	74%	0.743	72%	0.718	S	S	*	*			trans	35.4	148	138.1	-62	170.2	0	0	0	121.7
1023	S	26.7	Very low	29.1	Very low	117 Å²	117	139.8 Å²	139.8	82%	0.818	72%	0.72	S	S	*	*			trans	73	150.5	137.7	59.6	0	0	0	0	120.1
1024	A	26.7	Very low	29.2	Very low	80 Å²	80	139 Å²	139	66%	0.661	71%	0.713	S	S	*	*			cis	-175.6	157.3	-22.1	0	0	0	0	0	110.6
1025	Y	28.7	Very low	29.4	Very low	231 Å²	231	139.7 Å²	139.7	91%	0.906	71%	0.708	S	S	*	*			trans	63.2	173	142.6	-97.5	-107.9	0	0	0	121.3
1026	A	28.6	Very low	29.4	Very low	89 Å²	89	141.7 Å²	141.7	74%	0.736	71%	0.705	S	S	*	*			trans	72.6	112.9	179.3	0	0	0	0	0	114.5
1027	D	28.8	Very low	29.6	Very low	112 Å²	112	145.9 Å²	145.9	60%	0.599	71%	0.709	S	S	*	*			cis	68.9	160.5	30.9	-160.4	27.3	0	0	0	114.4	K1029	D1027-K1029 WeakPolarHBondContact OD1-CE 3.4Å; D1027-K1029 IonicContact OD1-NZ 3.47Å; D1027-K1029 IonicContact OD2-NZ 2.87Å; D1027-K1029 PolarHBondContact OD2-NZ 2.67Å
1028	S	28.1	Very low	29.6	Very low	98 Å²	98	144.5 Å²	144.5	69%	0.685	71%	0.71	S	S	*	*			trans	75.6	114.8	-152.8	69.3	0	0	0	0	112.2
1029	K	29.8	Very low	29.8	Very low	155 Å²	155	141.3 Å²	141.3	67%	0.674	71%	0.705	S	S	*	*			cis	73.8	164.5	38.1	-53.3	166.8	-179.6	146.6	0	112.9	D1027	D1027-K1029 WeakPolarHBondContact OD1-CE 3.4Å; D1027-K1029 IonicContact OD1-NZ 3.47Å; D1027-K1029 IonicContact OD2-NZ 2.87Å; D1027-K1029 PolarHBondContact OD2-NZ 2.67Å
1030	Y	30.3	Very low	29.8	Very low	201 Å²	201	145 Å²	145	79%	0.788	72%	0.716	S	S	*	*			trans	77.7	128.3	179.5	-72.1	-105	0	0	0	114.6
1031	N	31.4	Very low	30.1	Very low	99 Å²	99	142.3 Å²	142.3	53%	0.529	71%	0.711	S	S	.	*			cis	-161.4	170.6	-11.4	-143	1.1	0	0	0	113.6
1032	H	30.6	Very low	30.2	Very low	127 Å²	127	138.9 Å²	138.9	59%	0.588	71%	0.707	S	S	*	*			trans	30.3	147.1	135.9	-74.1	-6.7	0	0	0	121.8
1033	K	30.6	Very low	30.4	Very low	137 Å²	137	139.2 Å²	139.2	60%	0.596	71%	0.705	S	S	*	*			cis	-170.5	159.9	10.3	-124.3	162.2	177.9	155.6	0	112.5
1034	Y	31	Very low	30.6	Very low	187 Å²	187	144.5 Å²	144.5	73%	0.733	71%	0.707	S	S	*	*			trans	70.2	139.1	142.8	-82.4	-49.6	0	0	0	123.7
1035	N	34.8	Very low	30.8	Very low	124 Å²	124	145.5 Å²	145.5	66%	0.663	71%	0.709	S	S	*	*			trans	71.2	128.1	154.2	-56.1	-6.3	0	0	0	116.9
1036	D	30.1	Very low	31	Very low	138 Å²	138	145.7 Å²	145.7	74%	0.738	71%	0.708	S	S	*	*			cis	78.3	144.4	45	-75.5	-43.8	0	0	0	114.4
1037	Y	34	Very low	31.2	Very low	203 Å²	203	146.7 Å²	146.7	80%	0.796	71%	0.71	S	S	*	*			trans	69.1	118.8	-165.4	-58.3	-89.8	0	0	0	112.6
1038	D	30.8	Very low	31.6	Very low	139 Å²	139	147.7 Å²	147.7	74%	0.743	72%	0.722	S	S	*	*			cis	71.1	150.4	41.9	-161.7	23.9	0	0	0	113.1
1039	Q	31.8	Very low	31.8	Very low	158 Å²	158	148.2 Å²	148.2	74%	0.738	73%	0.726	S	S	*	*			trans	73.5	97.9	-176.9	-54	-174.8	10.2	0	0	117.3
1040	D	29.4	Very low	32.1	Very low	145 Å²	145	150.7 Å²	150.7	78%	0.775	73%	0.732	S	S	*	*				52.6	146.3	108.2	-132.1	-19.4	0	0	0	122.4
1041	T	32.2	Very low	32.4	Very low	108 Å²	108	148.8 Å²	148.8	66%	0.663	73%	0.731	S	S	*	*			trans	72.7	123.6	158.6	69.9	0	0	0	0	123.4
1042	N	31.9	Very low	32.3	Very low	127 Å²	127	154.3 Å²	154.3	68%	0.679	74%	0.744	S	S	*	*				91.4	139.2	125.8	-87	-37.6	0	0	0	124.2
1043	H	32.5	Very low	32.6	Very low	148 Å²	148	153.9 Å²	153.9	69%	0.685	76%	0.755	S	S	*	*			trans	68.1	111.3	149.1	-64.4	-12	0	0	0	118.7
1044	R	31	Very low	32.6	Very low	228 Å²	228	155.7 Å²	155.7	86%	0.86	76%	0.763	S	S	*	*				52.9	112.9	91.1	-83.4	-177.1	163.6	-173.6	-2.8	113.4
1045	S	30	Very low	32.8	Very low	102 Å²	102	152.1 Å²	152.1	71%	0.713	77%	0.765	S	S	*	*				-173.9	136.1	113.7	-89.8	0	0	0	0	116.3
1046	R	32.6	Very low	32.6	Very low	234 Å²	234	153.4 Å²	153.4	88%	0.883	77%	0.772	S	S	*	*			trans	62.6	118.1	135.4	-62.4	173.3	178.5	-166.2	-2.8	120.6
1047	S	33.9	Very low	32.6	Very low	110 Å²	110	151.7 Å²	151.7	77%	0.769	77%	0.771	S	S	*	*			trans	-60	168.7	152.6	-5.5	0	0	0	0	113.2
1048	P	37.9	Very low	32.4	Very low	133 Å²	133	146.9 Å²	146.9	86%	0.864	77%	0.767	S	S	*	*			trans	-99.8	147.8	139.8	-12.8	30.8	0	0	0	112.8
1049	S	32.1	Very low	32.4	Very low	109 Å²	109	148 Å²	148	76%	0.762	77%	0.766	S	S	*	*			trans	-144.9	121.7	170.5	177	0	0	0	0	109.8
1050	Y	35.3	Very low	32.3	Very low	207 Å²	207	149.9 Å²	149.9	81%	0.812	77%	0.766	S	S	*	*			trans	-173.2	150.1	171.5	-81.9	-50.6	0	0	0	107.9
1051	H	35.8	Very low	32.4	Very low	162 Å²	162	146.1 Å²	146.1	75%	0.75	76%	0.761	S	S	*	*			cis	-121.5	168	-21.2	-55	-87.4	0	0	0	106.8
1052	R	30.5	Very low	32.4	Very low	215 Å²	215	149.5 Å²	149.5	81%	0.811	76%	0.763	S	S	*	*			cis	75.8	64.4	18.9	-149.7	-164.2	-163	-152.3	8.8	118.6
1053	S	35.7	Very low	32.3	Very low	117 Å²	117	149.5 Å²	149.5	82%	0.818	76%	0.759	S	S	*	*			trans	-147.6	123.8	143.1	-78	0	0	0	0	107.4
1054	K	31.5	Very low	32.2	Very low	175 Å²	175	152.7 Å²	152.7	76%	0.761	77%	0.765	S	S	*	*			cis	72.2	141.5	42.4	-83.4	-159.6	170.2	-167.2	0	115.7
1055	S	34.3	Very low	32.4	Very low	112 Å²	112	147.3 Å²	147.3	78%	0.783	76%	0.762	S	S	*	*			trans	76.9	148.7	168.6	83.2	0	0	0	0	116.3
1056	N	31.1	Very low	32.5	Very low	152 Å²	152	147.6 Å²	147.6	81%	0.813	76%	0.764	S	S	*	*			cis	-167.4	166.2	-34.3	-122.1	3	0	0	0	110.7
1057	S	29.7	Very low	32.9	Very low	101 Å²	101	141.6 Å²	141.6	71%	0.706	76%	0.755	S	S	*	*			trans	69.3	120.9	161.3	85.1	0	0	0	0	115.7
1058	S	30	Very low	33	Very low	103 Å²	103	143.7 Å²	143.7	72%	0.72	76%	0.756	S	S	*	*				86.9	162.8	87.1	90	0	0	0	0	112.4
1059	F	32	Very low	32.7	Very low	163 Å²	163	140.9 Å²	140.9	72%	0.715	74%	0.74	S	S	*	*			cis	-145.8	121.2	16.2	-154.1	-116.3	0	0	0	106.7
1060	R	29.5	Very low	32.8	Very low	197 Å²	197	143.5 Å²	143.5	74%	0.743	74%	0.737	S	S	*	*				69.9	111.7	104.5	-165.4	-170.4	-163.3	-142.3	8.3	116.3
1061	G	31.6	Very low	32.9	Very low	65 Å²	65	143 Å²	143	67%	0.67	74%	0.735	S	S	*	*			trans	101.7	164.6	166.2	0	0	0	0	0	114.9
1062	Y	31.9	Very low	32.7	Very low	179 Å²	179	139.7 Å²	139.7	70%	0.702	73%	0.731	S	S	*	*			cis	-165	152.3	-10.7	-115.2	-58.1	0	0	0	110.9
1063	H	30.4	Very low	33	Very low	127 Å²	127	133.8 Å²	133.8	59%	0.588	72%	0.722	S	S	*	*			trans	70	132.9	159.2	-63.9	-39.3	0	0	0	118
1064	R	29.7	Very low	32.9	Very low	216 Å²	216	135.2 Å²	135.2	82%	0.815	72%	0.72	S	S	*	*				61.1	133.9	95.4	-51.8	172	172.6	174.4	-3	112.8
1065	S	34.7	Very low	33.1	Very low	114 Å²	114	134.5 Å²	134.5	80%	0.797	72%	0.72	S	S	*	*			cis	-144.1	155	20.8	-56.6	0	0	0	0	113.5
1066	S	33.4	Very low	33.1	Very low	108 Å²	108	137.9 Å²	137.9	76%	0.755	72%	0.721	S	S	*	*			trans	-59.8	170.8	152.1	-33	0	0	0	0	110.7
1067	P	41.2	Very low	33.5	Very low	108 Å²	108	136.1 Å²	136.1	70%	0.701	72%	0.717	S	S	*	*				-157.4	162.9	73.1	43.7	-23.8	0	0	0	119.3
1068	I	34.4	Very low	33.7	Very low	155 Å²	155	140.4 Å²	140.4	80%	0.795	72%	0.723	S	S	*	*			trans	72.1	134.9	137	-77.3	165.7	0	0	0	119.8
1069	S	32.8	Very low	33.8	Very low	73 Å²	73	139.9 Å²	139.9	51%	0.51	72%	0.72	S	S	.	*			cis	-172.4	156.5	-19.4	69.4	0	0	0	0	113.9
1070	K	34.5	Very low	33.8	Very low	165 Å²	165	137 Å²	137	72%	0.717	72%	0.716	S	S	*	*			trans	63.7	146.5	143.1	-71	160.3	-167.1	172.8	0	117.6
1071	Y	36.1	Very low	34.1	Very low	196 Å²	196	138.1 Å²	138.1	77%	0.769	72%	0.721	S	S	*	*			cis	-135	138.9	-5.1	-95.7	-73.8	0	0	0	104.7
1072	S	31.8	Very low	34.2	Very low	93 Å²	93	138.5 Å²	138.5	65%	0.65	71%	0.714	S	S	*	*				57.4	110.6	52.2	-171.2	0	0	0	0	112.3
1073	S	36.5	Very low	34.2	Very low	91 Å²	91	135.7 Å²	135.7	64%	0.636	71%	0.711	S	S	*	*				-176.5	155.5	73.3	35.9	0	0	0	0	112.6
1074	N	33.1	Very low	34.6	Very low	146 Å²	146	136.1 Å²	136.1	78%	0.781	71%	0.713	S	S	*	*				41	144.6	126.6	-45.2	-21.9	0	0	0	119.7
1075	E	37.2	Very low	34.9	Very low	161 Å²	161	135 Å²	135	75%	0.752	71%	0.71	S	S	*	*			cis	-138.7	144	19.8	-79.5	-162	128.8	0	0	111.1
1076	K	33.6	Very low	34.8	Very low	183 Å²	183	136.5 Å²	136.5	80%	0.796	70%	0.704	S	S	*	*				98.2	125.3	53.2	-150.9	176.8	-168.1	174.1	0	111.5
1077	P	38.6	Very low	34.9	Very low	115 Å²	115	141.8 Å²	141.8	75%	0.747	71%	0.708	S	S	*	*			trans	-99.9	167.6	-163.1	38.9	-38.6	0	0	0	116.2
1078	K	35.8	Very low	34.6	Very low	190 Å²	190	141.3 Å²	141.3	83%	0.826	71%	0.707	S	S	*	*			trans	-149.4	134.6	151.3	-88.3	124.9	179.6	-173.9	0	106.2
1079	S	32.1	Very low	34.6	Very low	92 Å²	92	140.1 Å²	140.1	64%	0.643	71%	0.712	S	S	*	*				65.2	146.2	62.1	97.9	0	0	0	0	112
1080	T	31.9	Very low	34.7	Very low	103 Å²	103	140 Å²	140	63%	0.632	72%	0.722	S	S	*	*			cis	-165.5	150.5	22.3	-9.5	0	0	0	0	109.8
1081	Y	33.9	Very low	34.9	Very low	220 Å²	220	140.9 Å²	140.9	86%	0.863	73%	0.729	S	S	*	*			trans	67.7	158.5	147.4	-82.5	-143.7	0	0	0	118.4
1082	S	34	Very low	34.7	Very low	74 Å²	74	136.1 Å²	136.1	52%	0.517	72%	0.724	S	S	.	*			cis	-169.7	160.5	-26.8	-165	0	0	0	0	109.6
1083	N	32.9	Very low	34.9	Very low	119 Å²	119	144 Å²	144	64%	0.636	74%	0.739	S	S	*	*			trans	64.8	161	151.9	-75	-19.5	0	0	0	117.7
1084	H	38.6	Very low	34.7	Very low	136 Å²	136	144.5 Å²	144.5	63%	0.63	74%	0.743	S	S	*	*			cis	-148.4	147.3	-0.9	-110.2	-37.7	0	0	0	109
1085	Y	35.6	Very low	34.9	Very low	192 Å²	192	148.7 Å²	148.7	75%	0.753	75%	0.748	S	S	*	*				36.3	142	122.6	-71.7	-131.7	0	0	0	118.8
1086	H	33.5	Very low	34.9	Very low	147 Å²	147	147.4 Å²	147.4	68%	0.681	75%	0.746	S	S	*	*			cis	-177.2	176.2	-7	-137.9	-77.1	0	0	0	106.9
1087	R	34.6	Very low	35.3	Very low	219 Å²	219	144 Å²	144	83%	0.826	74%	0.741	S	S	*	*			trans	60.7	109.9	154.7	-70.2	175.2	-178.5	-171	-1.3	117.7
1088	S	34.3	Very low	35.3	Very low	98 Å²	98	150.1 Å²	150.1	69%	0.685	75%	0.749	S	S	*	*				85.3	133.2	61.5	72.5	0	0	0	0	116.7
1089	S	35.7	Very low	35.6	Very low	130 Å²	130	147.5 Å²	147.5	91%	0.909	74%	0.744	S	S	*	*			trans	77.9	159.6	164.3	81	0	0	0	0	119.1
1090	G	34.8	Very low	35.9	Very low	70 Å²	70	154.3 Å²	154.3	72%	0.722	76%	0.756	S	S	*	*			trans	99.8	83.6	178.6	0	0	0	0	0	114.5
1091	H	38.1	Very low	36.3	Very low	183 Å²	183	152.7 Å²	152.7	85%	0.847	76%	0.759	S	S	*	*				58.2	100.3	76	-97.7	59.8	0	0	0	117.3
1092	S	32.6	Very low	36.5	Very low	96 Å²	96	152.6 Å²	152.6	67%	0.671	76%	0.757	S	S	*	*				57.6	112	129.4	-52.3	0	0	0	0	121.7
1093	R	34.7	Very low	36.6	Very low	258 Å²	258	158.8 Å²	158.8	97%	0.974	77%	0.769	S	S	*	*				174.1	165.6	113.7	-95.8	165.8	173.7	175.5	-1.7	114
1094	S	33	Very low	37.1	Very low	102 Å²	102	159.8 Å²	159.8	71%	0.713	78%	0.779	S	S	*	*			trans	-96	158.4	-176.6	55.3	0	0	0	0	114.3
1095	R	38.5	Very low	37.3	Very low	234 Å²	234	158.6 Å²	158.6	88%	0.883	78%	0.784	S	S	*	*			trans	168.1	157.7	154.1	-94.5	153.7	-174.5	-162	2.2	108.5
1096	N	37.1	Very low	37.3	Very low	135 Å²	135	159.2 Å²	159.2	72%	0.722	79%	0.785	S	S	*	*			cis	-173.5	143.8	-36.4	-120.7	11.1	0	0	0	108.1
1097	V	41.3	Very low	37.4	Very low	111 Å²	111	161.4 Å²	161.4	67%	0.673	79%	0.787	S	S	*	*			trans	55.5	113.2	144.4	-177.5	0	0	0	0	120.1
1098	R	39	Very low	37.5	Very low	243 Å²	243	161 Å²	161	92%	0.917	79%	0.786	S	S	*	*				-176.3	117.6	124.2	-95.4	155.2	-166.1	-172.1	5	107.7
1099	D	40.7	Very low	37.8	Very low	135 Å²	135	161 Å²	161	72%	0.722	78%	0.781	S	S	*	*			cis	91.7	143.1	32.3	-170.1	38.8	0	0	0	114.6
1100	R	39.5	Very low	38	Very low	236 Å²	236	162 Å²	162	89%	0.891	77%	0.771	S	S	*	*			trans	80.4	124.9	-173	-52.5	169.1	-178.5	178.4	-1.4	115.3
1101	G	39.3	Very low	38.1	Very low	68 Å²	68	164.4 Å²	164.4	70%	0.701	77%	0.767	S	S	*	*			cis	136	172.3	-16.3	0	0	0	0	0	115.3
1102	R	38.8	Very low	38.1	Very low	218 Å²	218	162.9 Å²	162.9	82%	0.823	76%	0.761	S	S	*	*			trans	80.5	139.7	-172.6	-55.8	-178.8	175.2	-169.2	-0.1	113.8
1103	R	36.9	Very low	38.4	Very low	205 Å²	205	166.2 Å²	166.2	77%	0.774	77%	0.766	S	S	*	*			cis	-155.7	130.7	-5.2	-120.8	169	-176.4	177.2	-2.6	110.5
1104	T	43.5	Very low	38.5	Very low	139 Å²	139	158.8 Å²	158.8	85%	0.853	75%	0.753	S	S	*	*			trans	-96.3	152.3	163.4	52.6	0	0	0	0	110.9
1105	P	41.8	Very low	38.9	Very low	111 Å²	111	158.4 Å²	158.4	72%	0.721	75%	0.748	S	S	*	*				-144.9	163.1	127.1	37.1	-22.7	0	0	0	112.7
1106	R	35.9	Very low	38.7	Very low	205 Å²	205	157.5 Å²	157.5	77%	0.774	75%	0.747	S	S	*	*			cis	-174	144.6	-14.5	-110.9	174.8	165.3	173.8	-3.9	107.9
1107	R	36	Very low	38.5	Very low	194 Å²	194	161.7 Å²	161.7	73%	0.732	75%	0.752	S	S	*	*			trans	64.7	152.7	154	-74.1	173.6	170.9	177.5	-5.3	115.2
1108	R	36.7	Very low	38.2	Very low	211 Å²	211	165.9 Å²	165.9	80%	0.796	76%	0.757	S	S	*	*			cis	-161.5	168.7	11	-108.7	149.1	175.9	176.3	-5.2	106.2
1109	V	39.4	Very low	37.7	Very low	98 Å²	98	159 Å²	159	59%	0.594	75%	0.746	S	S	*	*			cis	-179	152.9	-28.9	71.9	0	0	0	0	107.9
1110	H	39.5	Very low	37.2	Very low	151 Å²	151	157.4 Å²	157.4	70%	0.699	75%	0.746	S	S	*	*			trans	62.3	157.7	163.8	-59.4	-51.6	0	0	0	119.1
1111	D	37.8	Very low	36.7	Very low	119 Å²	119	157.6 Å²	157.6	64%	0.636	75%	0.747	S	S	*	*			cis	-169.8	172	-38.9	-97.6	-9.3	0	0	0	109.1
1112	E	37.9	Very low	36.5	Very low	151 Å²	151	165.4 Å²	165.4	71%	0.706	76%	0.755	S	S	*	*			trans	59.1	140.8	148.6	-77.7	168	-151	0	0	121.6
1113	E	39.2	Very low	36.3	Very low	167 Å²	167	162.1 Å²	162.1	78%	0.78	75%	0.749	S	S	*	*			cis	-164.8	-168.6	-14.2	-139.1	-167.8	175.1	0	0	110
1114	S	36.6	Very low	36.2	Very low	101 Å²	101	162.2 Å²	162.2	71%	0.706	75%	0.749	S	S	*	*			trans	-67.8	-175.3	175.6	-139.6	0	0	0	0	113
1115	P	42.3	Very low	35.7	Very low	95 Å²	95	166.8 Å²	166.8	62%	0.617	75%	0.75	S	S	*	*			cis	-142.8	-171.1	-0.4	45	-26.4	0	0	0	117
1116	Y	34.4	Very low	35	Very low	215 Å²	215	167.4 Å²	167.4	84%	0.843	76%	0.757	S	S	*	*			trans	42.3	122.6	152.6	-70.6	-68.5	0	0	0	121.7
1117	R	32.9	Very low	34.8	Very low	222 Å²	222	162 Å²	162	84%	0.838	75%	0.749	S	S	*	*				170.8	148.4	99.3	-89.7	-161.9	179.4	-165.8	-1.5	114.6
1118	Y	33.7	Very low	34.3	Very low	200 Å²	200	158 Å²	158	78%	0.784	75%	0.751	S	S	*	*			trans	40.9	100.8	147.7	-80.4	-101.3	0	0	0	121.8
1119	S	29.4	Very low	34	Very low	97 Å²	97	156.3 Å²	156.3	68%	0.678	75%	0.746	S	S	*	*				36.9	121.9	106	-161.1	0	0	0	0	121.2
1120	S	28.9	Very low	33.5	Very low	103 Å²	103	156.2 Å²	156.2	72%	0.72	75%	0.749	S	S	*	*			trans	74.2	143.8	138	-60	0	0	0	0	121.9
1121	R	30.1	Very low	32.9	Very low	239 Å²	239	154.7 Å²	154.7	90%	0.902	75%	0.746	S	S	*	*			trans	65.1	116.1	178.5	-55.1	174.5	174.9	-178.4	-2.8	112.4
1122	R	35.6	Very low	32.4	Very low	232 Å²	232	154.5 Å²	154.5	88%	0.875	75%	0.754	S	S	*	*			cis	-135.9	142.8	46.3	-72.6	170.4	-173.6	-164.9	-1.6	110.2
1123	H	33.8	Very low	32	Very low	149 Å²	149	153.6 Å²	153.6	69%	0.69	75%	0.754	S	S	*	*				54	129.4	74.2	-86.2	-5.9	0	0	0	112.1
1124	R	35.4	Very low	31.4	Very low	207 Å²	207	150.6 Å²	150.6	78%	0.781	75%	0.751	S	S	*	*			cis	-157.8	171.4	17.4	-117.4	161.5	-164.1	-157.1	1	111.1
1125	R	31.4	Very low	31	Very low	235 Å²	235	154.7 Å²	154.7	89%	0.887	75%	0.752	S	S	*	*			trans	73.8	73.3	173.5	-57	-177.9	-179.8	-173.1	-1.7	116.3
1126	S	27.6	Very low	30.5	Very low	124 Å²	124	158 Å²	158	87%	0.867	75%	0.754	S	S	*	*			trans	-68.7	135.9	132.3	-35.9	0	0	0	0	108.1
1127	P	32.9	Very low	30.3	Very low	93 Å²	93	157.2 Å²	157.2	60%	0.604	76%	0.757	S	S	*	*			trans	-104.6	133.6	151.2	34.3	-27.1	0	0	0	109.7	Y1129	P1127-Y1129 HydrophobicContact CB-CD2 3.86Å; P1127-Y1129 HydrophobicContact CB-CE2 3.72Å; P1127-Y1129 HydrophobicContact CG-CD2 4.11Å; P1127-Y1129 HydrophobicContact CG-CE2 4.04Å
1128	S	25.3	Very low	30.1	Very low	110 Å²	110	150.6 Å²	150.6	77%	0.769	75%	0.745	S	S	*	*			trans	-77.6	119.1	157.9	46.6	0	0	0	0	108.8
1129	Y	30.8	Very low	29.9	Very low	175 Å²	175	153 Å²	153	69%	0.686	75%	0.752	S	S	*	*			trans	-117.3	132	159.9	-79.2	-95.9	0	0	0	105.6	P1127 D1131	P1127-Y1129 HydrophobicContact CB-CD2 3.86Å; P1127-Y1129 HydrophobicContact CB-CE2 3.72Å; P1127-Y1129 HydrophobicContact CG-CD2 4.11Å; P1127-Y1129 HydrophobicContact CG-CE2 4.04Å; Y1129-D1131 WeakPolarHBondContact CD1-OD1 3.32Å
1130	S	27.3	Very low	30	Very low	95 Å²	95	155.7 Å²	155.7	66%	0.664	75%	0.754	S	S	*	*			cis	66.6	66.3	9.5	-49.8	0	0	0	0	116
1131	D	28.7	Very low	30.1	Very low	119 Å²	119	161.8 Å²	161.8	64%	0.636	76%	0.763	S	S	*	*			trans	-119.1	131.6	155.9	-39.9	-37.5	0	0	0	106.8	Y1129	Y1129-D1131 WeakPolarHBondContact CD1-OD1 3.32Å
1132	S	26.6	Very low	30.1	Very low	115 Å²	115	156.5 Å²	156.5	80%	0.804	75%	0.748	S	S	*	*			cis	57.1	51.7	-16.3	-63.2	0	0	0	0	118.2
1133	D	30.1	Very low	29.9	Very low	132 Å²	132	150.8 Å²	150.8	71%	0.706	74%	0.744	S	S	*	*			trans	-163.2	142	151.6	-98.8	-29.7	0	0	0	107
1134	C	26.3	Very low	29.6	Very low	105 Å²	105	153.1 Å²	153.1	71%	0.709	75%	0.748	S	S	*	*			cis	64.7	99.8	45.7	-73.8	0	0	0	0	114.9
1135	Y	28.5	Very low	29.4	Very low	186 Å²	186	146.9 Å²	146.9	73%	0.729	74%	0.736	S	S	*	*			trans	75.8	157.6	153.1	-97	-85.8	0	0	0	121.2
1136	Y	31.2	Very low	29.5	Very low	166 Å²	166	142.9 Å²	142.9	65%	0.651	73%	0.732	S	S	*	*			trans	57.6	113.3	158.7	-70.7	-59.4	0	0	0	122.1	S1138	Y1136-S1138 WeakPolarHBondContact CD1-OG 3.05Å; Y1136-S1138 WeakPolarHBondContact CE1-OG 3.43Å
1137	H	29.4	Very low	29.8	Very low	198 Å²	198	142.9 Å²	142.9	92%	0.917	72%	0.722	S	S	*	*				-132.4	74.9	120.6	-115	61	0	0	0	112.1	R1139	H1137-R1139 PolarHBondContact O-N 2.8Å
1138	S	28.9	Very low	29.8	Very low	82 Å²	82	143.8 Å²	143.8	57%	0.573	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-69.4	124.6	164.8	-71.6	0	0	0	0	109.5	Y1136 H1140	Y1136-S1138 WeakPolarHBondContact CD1-OG 3.05Å; Y1136-S1138 WeakPolarHBondContact CE1-OG 3.43Å; S1138-H1140 PolarHBondContact O-N 3.27Å
1139	R	30.1	Very low	30.1	Very low	251 Å²	251	143.7 Å²	143.7	95%	0.947	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-65.5	122.9	175.9	-73.1	-171.4	177.1	-169.9	0.2	110.6	H1137 Y1141	H1137-R1139 PolarHBondContact O-N 2.8Å; R1139-Y1141 PolarHBondContact O-N 3.44Å
1140	H	31	Very low	30.4	Very low	153 Å²	153	140.3 Å²	140.3	71%	0.708	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-62.8	128	-179.6	-81	-76.3	0	0	0	114	S1138 Q1142	S1138-H1140 PolarHBondContact O-N 3.27Å; H1140-Q1142 HydrophobicContact CB-CB 4.24Å
1141	Y	31.1	Very low	30.7	Very low	232 Å²	232	142.6 Å²	142.6	91%	0.91	73%	0.733	S	S	*	*				-134.9	105.4	129.9	-87.6	-93.5	0	0	0	103.8	R1139	R1139-Y1141 PolarHBondContact O-N 3.44Å
1142	Q	29.8	Very low	30.8	Very low	128 Å²	128	143.2 Å²	143.2	60%	0.598	74%	0.741	S	S	*	*			cis	69.3	66.3	36.2	-151.6	179.6	75.7	0	0	114.4	H1140 Y1144	H1140-Q1142 HydrophobicContact CB-CB 4.24Å; Q1142-Y1144 HydrophobicContact CG-CD2 4.01Å; Q1142-Y1144 HydrophobicContact CG-CE2 4Å
1143	S	31	Very low	31.2	Very low	111 Å²	111	139.3 Å²	139.3	78%	0.776	72%	0.72	S	S	*	*			trans	-160	114	141.8	-71.6	0	0	0	0	104.7
1144	Y	29.5	Very low	31.3	Very low	199 Å²	199	137.7 Å²	137.7	78%	0.78	71%	0.714	S	S	*	*				52.5	128.1	52.2	-68.3	-74	0	0	0	112.5	Q1142	Q1142-Y1144 HydrophobicContact CG-CD2 4.01Å; Q1142-Y1144 HydrophobicContact CG-CE2 4Å
1145	S	30.6	Very low	31.7	Very low	76 Å²	76	136.4 Å²	136.4	53%	0.531	70%	0.7	S	S	.	*			cis	-164.8	-163.5	-12.2	-142.5	0	0	0	0	108.9	D1147	S1145-D1147 PolarHBondContact OG-OD2 3.21Å
1146	N	34	Very low	32	Very low	150 Å²	150	130.8 Å²	130.8	80%	0.802	69%	0.688	S	S	*	*			trans	93.7	84.4	172.1	-49.2	-11.2	0	0	0	111.7
1147	D	32.1	Very low	32.1	Very low	124 Å²	124	128.9 Å²	128.9	66%	0.663	69%	0.69	S	S	*	*			cis	76.3	136.6	48.3	-55.2	-70.6	0	0	0	113.6	S1145	S1145-D1147 PolarHBondContact OG-OD2 3.21Å
1148	S	33.6	Very low	32.2	Very low	113 Å²	113	124.8 Å²	124.8	79%	0.79	68%	0.683	S	S	*	*			trans	71.3	116.3	-178.2	-53.1	0	0	0	0	114.7
1149	S	32	Very low	32.4	Very low	108 Å²	108	127.1 Å²	127.1	76%	0.755	69%	0.693	S	S	*	*			cis	66.9	150.5	24.8	101	0	0	0	0	114.9
1150	P	36.4	Very low	32.7	Very low	103 Å²	103	121.3 Å²	121.3	67%	0.669	69%	0.686	S	S	*	*			cis	-142	-179.2	8.6	42.5	-23.7	0	0	0	117.6
1151	I	33.7	Very low	32.7	Very low	143 Å²	143	118.4 Å²	118.4	73%	0.733	68%	0.683	S	S	*	*			trans	80	115.3	140.4	-83.6	160.8	0	0	0	121.8
1152	T	31.7	Very low	33.1	Very low	132 Å²	132	113.8 Å²	113.8	81%	0.81	67%	0.673	S	S	*	*			trans	55.7	133.5	147.3	62.9	0	0	0	0	122.7
1153	G	33.9	Very low	33.5	Very low	34 Å²	34	117.1 Å²	117.1	35%	0.351	69%	0.685	S	S	.	*			trans	175.6	175.1	166.3	0	0	0	0	0	113.2	L935	L935-G1153 CarbonylContact C-O 3.51Å; L935-G1153 WeakPolarHBondContact CB-O 3.39Å
1154	T	32.2	Very low	33.7	Very low	97 Å²	97	113.8 Å²	113.8	60%	0.595	67%	0.669	S	S	*	*			trans	-154.4	174.5	-168.6	60.3	0	0	0	0	114.4	L935 D936 K937	L935-T1154 HydrophobicContact CB-CG2 4.46Å; L935-T1154 HydrophobicContact CD1-CG2 3.97Å; D936-T1154 WeakPolarHBondContact OD2-CA 3.38Å; K937-T1154 VanDerWaalsContact NZ-C 3.34Å; K937-T1154 PolarHBondContact NZ-O 2.8Å
1155	D	35.4	Very low	34.1	Very low	78 Å²	78	114.4 Å²	114.4	42%	0.417	67%	0.669	S	S	.	*			cis	-138.9	168.6	-9.9	-140.7	-75.8	0	0	0	114.8	R934 L935 D936	R934-D1155 IonicContact CZ-OD1 3.71Å; R934-D1155 IonicContact NH1-OD1 2.87Å; R934-D1155 PolarHBondContact NH1-OD1 3.29Å; L935-D1155 HydrophobicContact CD1-CB 4.15Å; L935-D1155 VanDerWaalsContact CD1-CG 3.42Å; L935-D1155 VanDerWaalsContact CD1-OD2 3.26Å; L935-D1155 WeakPolarHBondContact CD1-OD2 3.41Å; D936-D1155 PolarHBondContact OD2-N 3.25Å
1156	S	35.3	Very low	34.4	Very low	68 Å²	68	113.8 Å²	113.8	48%	0.476	67%	0.665	S	S	.	*			trans	57.1	123.3	148.8	-80.8	0	0	0	0	125.6	R934	R934-S1156 PolarHBondContact NH1-OG 3.34Å
1157	N	32.9	Very low	34.4	Very low	127 Å²	127	112.5 Å²	112.5	68%	0.679	66%	0.659	S	S	*	*				48.7	154.4	126	-72.5	5.2	0	0	0	123.2	R934	R934-N1157 PolarHBondContact NH2-OD1 3Å
1158	S	32.2	Very low	34.6	Very low	111 Å²	111	116 Å²	116	78%	0.776	66%	0.664	S	S	*	*			trans	72.6	130	174.1	70.7	0	0	0	0	115.6
1159	V	32.7	Very low	34.8	Very low	131 Å²	131	116.8 Å²	116.8	79%	0.794	66%	0.655	S	S	*	*			cis	99.1	137.7	24.2	177.8	0	0	0	0	113.2
1160	T	35.4	Very low	35	Very low	129 Å²	129	118.7 Å²	118.7	79%	0.791	65%	0.651	S	S	*	*			trans	77.1	156	-172.3	73.2	0	0	0	0	116.5
1161	S	32.4	Very low	34.9	Very low	92 Å²	92	117.9 Å²	117.9	64%	0.643	65%	0.648	S	S	*	*				178.1	-172.4	-62	51.6	0	0	0	0	109.9
1162	I	39.4	Very low	35.1	Very low	135 Å²	135	117.4 Å²	117.4	69%	0.692	65%	0.647	S	S	*	*			trans	91.7	119.9	153.8	-65.5	156.2	0	0	0	120.7
1163	K	37.8	Very low	35.6	Very low	198 Å²	198	117 Å²	117	86%	0.861	64%	0.639	S	S	*	*			trans	67.2	147.5	151.6	-76.6	165.8	-168.8	167.6	0	122.6
1164	G	35.2	Very low	35.9	Very low	42 Å²	42	124 Å²	124	43%	0.433	66%	0.66	S	S	.	*			trans	159.7	62.2	139.8	0	0	0	0	0	120.6	F946	F946-G1164 WeakPolarHBondContact CD2-O 3.49Å; F946-G1164 VanDerWaalsContact CE2-CA 3.47Å; F946-G1164 VanDerWaalsContact CE2-N 3.32Å; F946-G1164 WeakPolarHBondContact CE2-O 3.48Å
1165	R	37.9	Very low	36.2	Very low	211 Å²	211	128.4 Å²	128.4	80%	0.796	67%	0.67	S	S	*	*			trans	8.8	125.5	160.1	-80.9	176.8	166.8	173.8	-7.7	119.1
1166	S	35.6	Very low	36.3	Very low	63 Å²	63	134.8 Å²	134.8	44%	0.441	69%	0.689	S	S	.	*				77	138.1	78.3	-152.6	0	0	0	0	115.5
1167	D	35.7	Very low	36.4	Very low	124 Å²	124	140 Å²	140	66%	0.663	70%	0.698	S	S	*	*			trans	118.6	125.2	146.6	-60.4	-15.6	0	0	0	120.9
1168	Y	36.2	Very low	36.5	Very low	196 Å²	196	140.7 Å²	140.7	77%	0.769	70%	0.697	S	S	*	*			trans	85.4	123.2	139.3	-76.2	-49	0	0	0	126.2
1169	H	37.7	Very low	36.8	Very low	131 Å²	131	147.3 Å²	147.3	61%	0.606	71%	0.705	S	S	*	*			trans	84.5	123.3	131.6	-86	-63.6	0	0	0	123.7
1170	H	35.1	Very low	37	Very low	147 Å²	147	149.8 Å²	149.8	68%	0.681	71%	0.707	S	S	*	*			trans	52.3	110.5	136.6	-68.2	-7.1	0	0	0	119.3
1171	S	33.7	Very low	37.5	Very low	86 Å²	86	149.2 Å²	149.2	60%	0.601	71%	0.706	S	S	*	*				76.3	162.8	61.4	84.6	0	0	0	0	114.8
1172	N	37.9	Very low	37.6	Very low	133 Å²	133	148.9 Å²	148.9	71%	0.711	70%	0.704	S	S	*	*			trans	80.1	149.1	174.8	-60.5	-41.7	0	0	0	118.1
1173	I	42.2	Very low	37.6	Very low	125 Å²	125	151.8 Å²	151.8	64%	0.641	71%	0.711	S	S	*	*			cis	-172.5	173.3	-36.3	-129.6	176.1	0	0	0	108.3
1174	K	40.4	Very low	37.4	Very low	181 Å²	181	146.7 Å²	146.7	79%	0.787	70%	0.701	S	S	*	*			trans	72.8	153.5	168.5	-77.3	142	-160.5	168.8	0	116.6
1175	K	39	Very low	37.4	Very low	188 Å²	188	152.6 Å²	152.6	82%	0.817	72%	0.717	S	S	*	*			cis	173.9	173.4	-33.7	-112.8	179.4	-177.3	-174	0	107.1
1176	R	38.1	Very low	37.3	Very low	212 Å²	212	149.5 Å²	149.5	80%	0.8	71%	0.712	S	S	*	*			trans	82.9	143.2	166.4	-59.2	-174.6	161.1	171	-3.5	115.2
1177	R	37.8	Very low	37.3	Very low	179 Å²	179	153.4 Å²	153.4	68%	0.675	73%	0.727	S	S	*	*			cis	-154.4	134.9	-4.1	-127.7	176.9	163.2	172.1	-9.4	115.6
1178	E	34.3	Very low	37.3	Very low	140 Å²	140	152.5 Å²	152.5	65%	0.654	73%	0.726	S	S	*	*			trans	13.9	125.7	135.6	-54.3	163.2	155.4	0	0	119.3
1179	R	38.9	Very low	37.2	Very low	250 Å²	250	153 Å²	153	94%	0.943	73%	0.726	S	S	*	*				-148.9	114.7	123.2	-71.3	-156.3	177.5	-172	-1.1	111.3
1180	H	35.5	Very low	37	Very low	183 Å²	183	153.1 Å²	153.1	85%	0.847	73%	0.731	S	S	*	*			trans	-94.6	159.8	157.8	-77.5	-82.1	0	0	0	109.2
1181	P	47.2	Very low	36.8	Very low	118 Å²	118	150.5 Å²	150.5	77%	0.766	73%	0.729	S	S	*	*				-146	-177.2	97.6	37.6	-21.6	0	0	0	113.7
1182	S	34.8	Very low	36.7	Very low	85 Å²	85	155.2 Å²	155.2	59%	0.594	74%	0.741	S	S	*	*			cis	-176.7	150.3	-49.4	68.4	0	0	0	0	109.9
1183	K	37.9	Very low	36.3	Very low	196 Å²	196	157.8 Å²	157.8	85%	0.852	75%	0.749	S	S	*	*			trans	72.7	153.9	163.8	-59.1	169.5	-175.6	177.2	0	115.1
1184	S	34.7	Very low	35.7	Very low	91 Å²	91	156.3 Å²	156.3	64%	0.636	76%	0.755	S	S	*	*			cis	-162.2	155.9	1.5	22	0	0	0	0	112.7
1185	Q	35.5	Very low	35.3	Very low	165 Å²	165	151.8 Å²	151.8	77%	0.771	75%	0.752	S	S	*	*			trans	68.4	151.4	153.4	-71.4	158.7	-11.9	0	0	116.5
1186	Q	35.8	Very low	35	Very low	147 Å²	147	150.2 Å²	150.2	69%	0.687	75%	0.747	S	S	*	*			cis	-158.7	159.8	-10.6	-130.4	165.4	-37.1	0	0	110.3
1187	L	34.6	Very low	34.8	Very low	145 Å²	145	147.3 Å²	147.3	76%	0.759	74%	0.738	S	S	*	*			trans	55.9	118.8	160.4	-66.1	150.5	0	0	0	117.7
1188	V	35	Very low	34.8	Very low	105 Å²	105	147.6 Å²	147.6	64%	0.636	74%	0.739	S	S	*	*			cis	89	109.6	30.2	-176	0	0	0	0	114.9
1189	R	34.8	Very low	35	Very low	207 Å²	207	148.3 Å²	148.3	78%	0.781	74%	0.74	S	S	*	*			trans	81.9	121	150.8	-77.3	174.1	-175.5	145.1	0	122.3
1190	N	34.3	Very low	35	Very low	133 Å²	133	141.5 Å²	141.5	71%	0.711	72%	0.722	S	S	*	*				84.6	133.2	119.7	-65.8	8	0	0	0	122.6
1191	S	30.6	Very low	35.2	Very low	91 Å²	91	138.5 Å²	138.5	64%	0.636	71%	0.712	S	S	*	*			trans	64.6	111.4	131.9	67	0	0	0	0	121.6
1192	H	31.1	Very low	34.5	Very low	186 Å²	186	140.6 Å²	140.6	86%	0.861	71%	0.706	S	S	*	*				66.6	161.4	129.9	-65.4	-54.8	0	0	0	121
1193	Q	30.2	Very low	34.9	Very low	186 Å²	186	143.2 Å²	143.2	87%	0.869	72%	0.718	S	S	*	*			trans	66.7	84.6	163.1	-71	-178.7	1.6	0	0	118.4
1194	A	29.9	Very low	34.6	Very low	94 Å²	94	139.1 Å²	139.1	78%	0.777	70%	0.702	S	S	*	*				73.4	165.8	110.9	0	0	0	0	0	119.9
1195	A	30.2	Very low	34.9	Very low	86 Å²	86	141.7 Å²	141.7	71%	0.711	71%	0.713	S	S	*	*			trans	67.2	151.8	170.8	0	0	0	0	0	115.7
1196	Q	33.9	Very low	34.9	Very low	155 Å²	155	141.7 Å²	141.7	72%	0.724	71%	0.711	S	S	*	*			cis	-164	133.6	-14	-107.7	168.5	36.5	0	0	103.7
1197	Y	34.8	Very low	34.7	Very low	152 Å²	152	139.9 Å²	139.9	60%	0.596	71%	0.714	S	S	*	*				178.3	140.9	73.6	-114.6	-171	0	0	0	108.5
1198	R	37	Very low	34.8	Very low	184 Å²	184	136.7 Å²	136.7	69%	0.694	72%	0.717	S	S	*	*				66.1	137.5	105	-67.2	-173	-177.2	166.2	3.5	115.6
1199	K	38.8	Very low	34.7	Very low	156 Å²	156	142.6 Å²	142.6	68%	0.678	73%	0.729	S	S	*	*			cis	-159.9	134.2	6.1	-118.5	-150.4	166.6	-155	0	108.4
1200	N	38	Very low	34.7	Very low	107 Å²	107	138.1 Å²	138.1	57%	0.572	73%	0.729	S	S	*	*				76.3	151.9	93.4	-78.1	46.4	0	0	0	115.1
1201	D	39.2	Very low	34.5	Very low	119 Å²	119	140.4 Å²	140.4	64%	0.636	73%	0.733	S	S	*	*			cis	-141	143.1	-11.8	-87.6	-44.3	0	0	0	106.3
1202	Y	34.3	Very low	34.6	Very low	163 Å²	163	142.4 Å²	142.4	64%	0.639	73%	0.732	S	S	*	*			cis	84.4	105.8	26.4	-164.9	-84.9	0	0	0	115	E1204	Y1202-E1204 HydrophobicContact CE1-CB 4.3Å; Y1202-E1204 HydrophobicContact CE1-CG 3.86Å; Y1202-E1204 WeakPolarHBondContact CE1-OE2 3.47Å; Y1202-E1204 WeakPolarHBondContact OH-CG 3.27Å; Y1202-E1204 PolarHBondContact OH-OE2 2.66Å
1203	V	41.9	Very low	34.6	Very low	139 Å²	139	140 Å²	140	84%	0.842	73%	0.726	S	S	*	*			trans	-132.8	96.6	172	-176.2	0	0	0	0	111.6
1204	E	32.6	Very low	34.7	Very low	110 Å²	110	137.8 Å²	137.8	51%	0.514	72%	0.718	S	S	.	*			trans	-82.6	159.7	152	-77.1	177.7	105.1	0	0	110.7	Y1202	Y1202-E1204 HydrophobicContact CE1-CB 4.3Å; Y1202-E1204 HydrophobicContact CE1-CG 3.86Å; Y1202-E1204 WeakPolarHBondContact CE1-OE2 3.47Å; Y1202-E1204 WeakPolarHBondContact OH-CG 3.27Å; Y1202-E1204 PolarHBondContact OH-OE2 2.66Å
1205	V	40.8	Very low	34.9	Very low	145 Å²	145	140 Å²	140	88%	0.879	72%	0.717	S	S	*	*			trans	-118.6	138.2	151.6	-178	0	0	0	0	108.7
1206	K	34.8	Very low	34.9	Very low	165 Å²	165	143.9 Å²	143.9	72%	0.717	72%	0.721	S	S	*	*			trans	-104.5	165	-149.4	-69.2	178.5	176.5	176.2	0	115.8
1207	S	33	Very low	34.7	Very low	109 Å²	109	140.2 Å²	140.2	76%	0.762	71%	0.711	S	S	*	*			trans	-61	163.1	164.8	53.4	0	0	0	0	114.2
1208	G	36.4	Very low	34.4	Very low	79 Å²	79	141.4 Å²	141.4	81%	0.814	72%	0.722	S	S	*	*			trans	-147.2	136.8	168.5	0	0	0	0	0	111.1
1209	Y	31.8	Very low	34	Very low	229 Å²	229	137 Å²	137	90%	0.898	72%	0.719	S	S	*	*			trans	-106.1	126.5	-172.9	-87.7	-101.5	0	0	0	113.3
1210	S	34.6	Very low	33.5	Very low	112 Å²	112	135.7 Å²	135.7	78%	0.783	71%	0.711	S	S	*	*			trans	-170	107.9	149	53.2	0	0	0	0	107.7
1211	K	31.5	Very low	33.1	Very low	182 Å²	182	133 Å²	133	79%	0.791	70%	0.696	S	S	*	*				75.6	134.5	70.3	-161.9	-170.7	-176.5	-130.3	0	112.7
1212	E	32	Very low	32.7	Very low	133 Å²	133	129.9 Å²	129.9	62%	0.621	68%	0.684	S	S	*	*			trans	79.2	97.1	172.6	-81.2	153.4	-126.2	0	0	119.2
1213	N	30.3	Very low	32.5	Very low	136 Å²	136	127.8 Å²	127.8	73%	0.727	68%	0.682	S	S	*	*				108.5	130.4	112.9	-78.4	-0.7	0	0	0	121.9
1214	I	33.3	Very low	31.8	Very low	138 Å²	138	127.4 Å²	127.4	71%	0.708	68%	0.675	S	S	*	*			trans	87.1	99.5	148.4	-67.7	161.1	0	0	0	117.1
1215	D	33.2	Very low	31.7	Very low	141 Å²	141	128 Å²	128	75%	0.754	68%	0.683	S	S	*	*			trans	67.4	142.5	140.5	-61.4	-3.6	0	0	0	119.9
1216	H	31.1	Very low	31.1	Very low	168 Å²	168	127.9 Å²	127.9	78%	0.778	67%	0.672	S	S	*	*			cis	157.8	146.7	-9.9	-127.6	71.7	0	0	0	102.6
1217	C	30.3	Very low	30.9	Very low	78 Å²	78	125.2 Å²	125.2	53%	0.527	67%	0.666	S	S	.	*			cis	-158.8	152.6	-18.9	-109.4	0	0	0	0	105.9
1218	Q	27.7	Very low	30.8	Very low	176 Å²	176	126.6 Å²	126.6	82%	0.822	67%	0.665	S	S	*	*				49.4	151.5	76.7	-56.9	-172.3	7.3	0	0	114
1219	S	27.8	Very low	30.5	Very low	92 Å²	92	127.1 Å²	127.1	64%	0.643	66%	0.656	S	S	*	*			cis	179.1	176.1	-17.3	70.1	0	0	0	0	107.8
1220	Y	28.6	Very low	30.5	Very low	129 Å²	129	122.2 Å²	122.2	51%	0.506	65%	0.645	S	S	.	*			cis	-163.7	-153.9	-11.4	-111.9	-25.2	0	0	0	108.3	T969 T970 W972	T969-Y1220 VanDerWaalsContact CB-CE2 3.45Å; T969-Y1220 HydrophobicContact CG2-CD2 3.53Å; T969-Y1220 HydrophobicContact CG2-CE2 3.41Å; T969-Y1220 VanDerWaalsContact CG2-CE2 3.41Å; T970-Y1220 WeakPolarHBondContact O-CD1 3.46Å; T970-Y1220 VanDerWaalsContact OG1-CB 3.29Å; T970-Y1220 WeakPolarHBondContact OG1-CB 3.44Å; T970-Y1220 WeakPolarHBondContact OG1-CD2 3.04Å; W972-Y1220 PolarHBondContact NE1-O 3.11Å
1221	I	30.1	Very low	30.3	Very low	50 Å²	50	126.4 Å²	126.4	26%	0.256	64%	0.644	S	S	.	*			trans	-48.9	150.3	175.9	-87.2	175.1	0	0	0	116.1	T970 N971	T970-I1221 HydrophobicContact CG2-CB 3.72Å; T970-I1221 HydrophobicContact CG2-CD1 3.51Å; T970-I1221 HydrophobicContact CG2-CG1 3.91Å; T970-I1221 HydrophobicContact CG2-CG2 4.28Å; T970-I1221 PolarHBondContact O-N 3.22Å; T970-I1221 VanDerWaalsContact O-N 3.14Å; N971-I1221 HydrophobicContact CB-CD1 3.66Å; N971-I1221 HydrophobicContact CB-CG1 3.49Å; N971-I1221 VanDerWaalsContact CB-CG1 3.49Å; N971-I1221 VanDerWaalsContact ND2-CD1 3.31Å; N971-I1221 WeakPolarHBondContact ND2-CD1 3.35Å; N971-I1221 WeakPolarHBondContact OD1-CD1 3.17Å
1222	S	30.5	Very low	30.5	Very low	53 Å²	53	123.7 Å²	123.7	37%	0.371	64%	0.637	S	S	.	*			trans	-15	154	150.9	-27.5	0	0	0	0	119.6	W972	W972-S1222 VanDerWaalsContact CZ2-N 3.32Å; W972-S1222 WeakPolarHBondContact CZ2-OG 3.26Å
1223	I	29.7	Very low	30.5	Very low	119 Å²	119	123.5 Å²	123.5	61%	0.61	64%	0.64	S	S	*	*				-172.5	129.9	109.9	-100.5	158.9	0	0	0	108.8
1224	D	28.4	Very low	30.7	Very low	131 Å²	131	122.2 Å²	122.2	70%	0.701	63%	0.633	S	S	*	*			trans	32.4	169	144.4	-41.2	-33.3	0	0	0	123.5
1225	N	29.3	Very low	30.8	Very low	124 Å²	124	123 Å²	123	66%	0.663	63%	0.631	S	S	*	*			trans	86.1	98.8	156.3	-86.8	32.9	0	0	0	121.3
1226	E	29.5	Very low	30.8	Very low	141 Å²	141	122.2 Å²	122.2	66%	0.659	63%	0.627	S	S	*	*				94.8	134.4	108.5	-84.9	-177.3	-155.2	0	0	122.3
1227	N	29.7	Very low	30.9	Very low	109 Å²	109	119.8 Å²	119.8	58%	0.583	62%	0.62	S	S	*	*			trans	72.4	103.3	135.5	-70.8	-32.7	0	0	0	121.8
1228	N	31.3	Very low	30.9	Very low	139 Å²	139	122.3 Å²	122.3	74%	0.743	63%	0.628	S	S	*	*				92.6	138	116.1	-72.7	-24.1	0	0	0	122.2
1229	S	30.9	Very low	31	Very low	90 Å²	90	118.9 Å²	118.9	63%	0.629	62%	0.619	S	S	*	*			trans	85.1	116	134	-86.6	0	0	0	0	120.9
1230	D	30.6	Very low	31.2	Very low	126 Å²	126	120.7 Å²	120.7	67%	0.674	62%	0.622	S	S	*	*				71.3	146.7	123.1	-63.2	-47	0	0	0	118.3
1231	R	31.3	Very low	31.2	Very low	200 Å²	200	120.1 Å²	120.1	76%	0.755	63%	0.632	S	S	*	*			cis	-166.4	141	-0.7	-123.3	169.2	174.8	-151.1	-4.2	112.3
1232	I	34.8	Very low	31.2	Very low	124 Å²	124	123 Å²	123	64%	0.636	65%	0.652	S	S	*	*			trans	65.6	147.8	132.7	-79.4	173.3	0	0	0	121.4
1233	N	33.1	Very low	31	Very low	129 Å²	129	125.9 Å²	125.9	69%	0.69	67%	0.668	S	S	*	*			trans	100.1	104	149.9	-88	-16.4	0	0	0	122.6
1234	N	33.9	Very low	30.9	Very low	109 Å²	109	125.8 Å²	125.8	58%	0.583	67%	0.673	S	S	*	*				94.6	120.5	112.4	-83.9	-24.6	0	0	0	123.1
1235	K	35.1	Very low	30.9	Very low	156 Å²	156	125.8 Å²	125.8	68%	0.678	67%	0.673	S	S	*	*				90.6	107	122.5	-73.5	175.6	-177.9	178.5	0	121.6
1236	N	32.3	Very low	30.9	Very low	123 Å²	123	126.3 Å²	126.3	66%	0.658	68%	0.675	S	S	*	*				100.6	138.4	107.3	-78.9	16	0	0	0	121.7
1237	N	33.9	Very low	30.9	Very low	117 Å²	117	125.4 Å²	125.4	63%	0.626	68%	0.675	S	S	*	*			trans	73.4	112.7	142	-66	8.2	0	0	0	117.4
1238	N	31.3	Very low	30.9	Very low	132 Å²	132	129.8 Å²	129.8	71%	0.706	69%	0.689	S	S	*	*				95.6	149.6	86.8	-75	-1	0	0	0	111.2
1239	T	30.1	Very low	30.7	Very low	104 Å²	104	126.2 Å²	126.2	64%	0.638	69%	0.685	S	S	*	*			cis	-168.2	173.6	-1.6	18.5	0	0	0	0	109.2
1240	N	31.6	Very low	30.6	Very low	130 Å²	130	127.5 Å²	127.5	70%	0.695	69%	0.694	S	S	*	*			trans	74.4	113.1	156.6	-62.6	-9.8	0	0	0	116.1
1241	T	28.2	Very low	30.4	Very low	116 Å²	116	126 Å²	126	71%	0.712	69%	0.693	S	S	*	*				70.1	148.4	71.8	73.8	0	0	0	0	112.9
1242	T	28.8	Very low	30.3	Very low	111 Å²	111	122.9 Å²	122.9	68%	0.681	69%	0.691	S	S	*	*			cis	-159.9	170.6	24	-22	0	0	0	0	111
1243	T	27.6	Very low	30	Very low	114 Å²	114	123.7 Å²	123.7	70%	0.699	70%	0.697	S	S	*	*			trans	-1.3	153.2	148.5	54.8	0	0	0	0	120.2
1244	T	28.1	Very low	29.8	Very low	117 Å²	117	122.7 Å²	122.7	72%	0.718	70%	0.699	S	S	*	*			cis	-168.3	168.2	25.7	-7.8	0	0	0	0	113.5
1245	N	28.3	Very low	29.7	Very low	131 Å²	131	122.3 Å²	122.3	70%	0.701	71%	0.705	S	S	*	*			trans	-31.6	141.2	156	-45.2	-24.9	0	0	0	115.9
1246	N	28.8	Very low	29.5	Very low	135 Å²	135	121 Å²	121	72%	0.722	71%	0.706	S	S	*	*				168.2	129.1	107	-94.7	-61.6	0	0	0	116.8
1247	N	29.8	Very low	29.5	Very low	121 Å²	121	120 Å²	120	65%	0.647	70%	0.701	S	S	*	*			trans	46.5	130.6	130.1	-82.5	-66.9	0	0	0	124.5
1248	K	28.4	Very low	29.4	Very low	201 Å²	201	122.8 Å²	122.8	87%	0.874	71%	0.707	S	S	*	*			trans	77.9	148.7	136.3	-70.3	175.1	179.8	179.8	0	121.2
1249	G	28	Very low	29.4	Very low	64 Å²	64	120.5 Å²	120.5	66%	0.66	70%	0.701	S	S	*	*			trans	110.8	116.1	168.5	0	0	0	0	0	111.5
1250	S	28.1	Very low	29.5	Very low	117 Å²	117	123 Å²	123	82%	0.818	71%	0.706	S	S	*	*				66.1	127.9	57.9	79	0	0	0	0	113.1
1251	S	27.8	Very low	29.4	Very low	95 Å²	95	123 Å²	123	66%	0.664	71%	0.706	S	S	*	*			cis	178.8	-175.4	0	46.2	0	0	0	0	110.2
1252	L	28.6	Very low	29.5	Very low	135 Å²	135	121.4 Å²	121.4	71%	0.707	70%	0.7	S	S	*	*			trans	73	104.9	151.2	-68.3	165.6	0	0	0	119.4
1253	N	27.5	Very low	29.6	Very low	141 Å²	141	124.2 Å²	124.2	75%	0.754	71%	0.709	S	S	*	*				72.1	170.2	117.8	-66.7	11.3	0	0	0	121.6
1254	S	29.8	Very low	29.8	Very low	107 Å²	107	122 Å²	122	75%	0.748	71%	0.708	S	S	*	*			trans	76.6	105.7	173.2	78	0	0	0	0	112.9
1255	S	31.1	Very low	29.8	Very low	101 Å²	101	123.3 Å²	123.3	71%	0.706	71%	0.711	S	S	*	*				90	143.2	69	76.5	0	0	0	0	110.7
1256	D	31.9	Very low	29.7	Very low	130 Å²	130	121.3 Å²	121.3	70%	0.695	70%	0.704	S	S	*	*			cis	-162.3	-176.5	9.3	-141.7	-12.4	0	0	0	111.6
1257	N	32.6	Very low	29.7	Very low	102 Å²	102	120.8 Å²	120.8	55%	0.545	70%	0.701	S	S	.	*			trans	27.7	122.9	141.9	-71.9	-53.3	0	0	0	117.8
1258	K	31.5	Very low	29.7	Very low	175 Å²	175	122.1 Å²	122.1	76%	0.761	70%	0.703	S	S	*	*			cis	162	167.5	46	-107.4	167.1	-172.4	154.3	0	105
1259	S	31.4	Very low	29.7	Very low	83 Å²	83	116.3 Å²	116.3	58%	0.58	69%	0.688	S	S	*	*			cis	-164.8	166	-2.7	41.7	0	0	0	0	107.6
1260	Q	31.3	Very low	29.8	Very low	158 Å²	158	121.6 Å²	121.6	74%	0.738	69%	0.693	S	S	*	*			trans	34.9	128.3	134.5	-65.8	-177	-98	0	0	117.8
1261	D	30.6	Very low	29.8	Very low	129 Å²	129	123.1 Å²	123.1	69%	0.69	69%	0.692	S	S	*	*			cis	159.4	168.3	34.2	-104.1	-16	0	0	0	104
1262	S	29.9	Very low	29.9	Very low	83 Å²	83	126.1 Å²	126.1	58%	0.58	70%	0.699	S	S	*	*			cis	-168.9	163.5	-4.6	46.5	0	0	0	0	109.6
1263	I	31.5	Very low	29.9	Very low	170 Å²	170	128.3 Å²	128.3	87%	0.872	70%	0.703	S	S	*	*			trans	58.3	142	141.8	-66.6	159.7	0	0	0	120.2
1264	G	30.5	Very low	30	Very low	67 Å²	67	126.6 Å²	126.6	69%	0.691	70%	0.698	S	S	*	*			trans	111.2	63	163.4	0	0	0	0	0	114.9
1265	D	28.4	Very low	30.2	Very low	145 Å²	145	127.7 Å²	127.7	78%	0.775	70%	0.695	S	S	*	*			cis	78.7	143.2	46.4	-162.2	48.3	0	0	0	115.7
1266	T	27.2	Very low	30	Very low	89 Å²	89	129.5 Å²	129.5	55%	0.546	70%	0.697	S	S	.	*			trans	73.9	89	155.7	-75.8	0	0	0	0	122.2
1267	N	27.9	Very low	29.9	Very low	124 Å²	124	129 Å²	129	66%	0.663	69%	0.694	S	S	*	*				71	153.8	114.9	-63.7	-51.7	0	0	0	125.3
1268	Q	30.7	Very low	29.9	Very low	148 Å²	148	129.3 Å²	129.3	69%	0.692	70%	0.7	S	S	*	*			trans	68.8	126.1	156	-70.6	159.8	99.1	0	0	117.9
1269	S	28.2	Very low	29.7	Very low	80 Å²	80	126 Å²	126	56%	0.559	69%	0.69	S	S	*	*			cis	85.2	139.8	15.9	101.4	0	0	0	0	117.9
1270	K	28.8	Very low	29.7	Very low	175 Å²	175	126.6 Å²	126.6	76%	0.761	69%	0.686	S	S	*	*			trans	85.3	117.2	-174.4	-60.7	167.8	-174.7	169.2	0	113.8
1271	N	27.9	Very low	29.5	Very low	149 Å²	149	126.9 Å²	126.9	80%	0.797	69%	0.687	S	S	*	*				93	118.3	58.8	-77.7	-7.4	0	0	0	112.3
1272	L	30.3	Very low	29.4	Very low	157 Å²	157	126.2 Å²	126.2	82%	0.822	69%	0.687	S	S	*	*				170.3	117.7	128.8	-85.8	154.1	0	0	0	106.5
1273	K	29	Very low	29.3	Very low	182 Å²	182	126.5 Å²	126.5	79%	0.791	70%	0.695	S	S	*	*			cis	91.3	153.4	48	-163.7	-160.9	-178.3	-159.8	0	111.3
1274	V	30.4	Very low	29.2	Very low	105 Å²	105	124 Å²	124	64%	0.636	69%	0.691	S	S	*	*			trans	80.2	123.5	169.6	178.7	0	0	0	0	113.8
1275	D	32.3	Very low	29	Very low	130 Å²	130	128.1 Å²	128.1	70%	0.695	70%	0.697	S	S	*	*			cis	-141	156.3	-12.4	-76.3	-31.2	0	0	0	106.9
1276	D	28.5	Very low	29.2	Very low	139 Å²	139	127.1 Å²	127.1	74%	0.743	70%	0.697	S	S	*	*			cis	79.5	129.7	42	-96.6	-22.5	0	0	0	116.8
1277	N	29.2	Very low	29.2	Very low	118 Å²	118	128.4 Å²	128.4	63%	0.631	71%	0.71	S	S	*	*			trans	72.6	142.2	178.3	-42.4	-73.3	0	0	0	115.7	S450	S450-N1277 PolarHBondContact OG-OD1 2.83Å
1278	T	32.4	Very low	29.5	Very low	110 Å²	110	129.7 Å²	129.7	68%	0.675	72%	0.715	S	S	*	*			cis	-145.4	171.3	26.1	46.4	0	0	0	0	113.6	C449	C449-T1278 VanDerWaalsContact SG-CA 3.55Å; C449-T1278 WeakPolarHBondContact SG-CB 3.34Å
1279	N	28.3	Very low	29.4	Very low	105 Å²	105	130.3 Å²	130.3	56%	0.561	72%	0.723	S	S	*	*			trans	-124.5	114.2	-164.3	170.1	30.4	0	0	0	112.9	C449	C449-N1279 PolarHBondContact SG-N 2.84Å
1280	I	30.9	Very low	29.6	Very low	95 Å²	95	132.1 Å²	132.1	49%	0.487	73%	0.73	S	S	.	*			trans	-154.8	129.3	174.9	-41.1	172.4	0	0	0	107.1	N447 T448 V1282	N447-I1280 WeakPolarHBondContact ND2-CD1 3.18Å; N447-I1280 VanDerWaalsContact OD1-CD1 3.29Å; N447-I1280 WeakPolarHBondContact OD1-CD1 3.37Å; N447-I1280 WeakPolarHBondContact OD1-CG1 3.36Å; T448-I1280 HydrophobicContact CG2-CD1 4.31Å; T448-I1280 HydrophobicContact CG2-CG1 4.01Å; I1280-V1282 HydrophobicContact CG2-CG2 4.47Å
1281	H	26.1	Very low	29.7	Very low	164 Å²	164	130.3 Å²	130.3	76%	0.759	73%	0.727	S	S	*	*			cis	91.8	61.1	21.5	-154.6	-61	0	0	0	117.2
1282	V	29.9	Very low	29.8	Very low	115 Å²	115	128.9 Å²	128.9	70%	0.697	72%	0.724	S	S	*	*			trans	-143.6	127.8	164.7	-175.7	0	0	0	0	107.4	I1280 C1284	I1280-V1282 HydrophobicContact CG2-CG2 4.47Å; V1282-C1284 VanDerWaalsContact CG1-SG 3.52Å
1283	A	26.5	Very low	29.7	Very low	90 Å²	90	126 Å²	126	74%	0.744	72%	0.718	S	S	*	*			cis	79.6	62.9	13.3	0	0	0	0	0	117
1284	C	30.1	Very low	29.7	Very low	116 Å²	116	123 Å²	123	78%	0.784	72%	0.715	S	S	*	*			trans	-117.1	106.1	168.5	-71.9	0	0	0	0	112.1	V1282	V1282-C1284 VanDerWaalsContact CG1-SG 3.52Å
1285	N	27	Very low	29.8	Very low	154 Å²	154	124 Å²	124	82%	0.824	72%	0.716	S	S	*	*			trans	-83.1	-173.4	151.5	-82.2	-18.4	0	0	0	109.4
1286	T	31.5	Very low	29.8	Very low	125 Å²	125	124.8 Å²	124.8	77%	0.767	72%	0.719	S	S	*	*			trans	77.1	121.1	-174.7	78.6	0	0	0	0	113.3
1287	S	27.5	Very low	30	Very low	116 Å²	116	123.3 Å²	123.3	81%	0.811	72%	0.717	S	S	*	*			cis	74	95.8	32.8	-43.6	0	0	0	0	113.5
1288	I	35.1	Very low	30	Very low	150 Å²	150	123 Å²	123	77%	0.769	72%	0.724	S	S	*	*			trans	-137.9	105.7	165.1	-60	-178.5	0	0	0	108.7	V1290	I1288-V1290 HydrophobicContact CG2-CG2 4.03Å
1289	D	27.1	Very low	30.2	Very low	162 Å²	162	123.9 Å²	123.9	87%	0.866	73%	0.729	S	S	*	*			trans	-88.4	113.5	160.2	-79.4	-58	0	0	0	109.6
1290	V	32.3	Very low	30.3	Very low	117 Å²	117	124.8 Å²	124.8	71%	0.709	73%	0.734	S	S	*	*			trans	-149.3	92.2	163.4	178.5	0	0	0	0	107.4	I1288	I1288-V1290 HydrophobicContact CG2-CG2 4.03Å
1291	I	32.3	Very low	30.6	Very low	137 Å²	137	130.6 Å²	130.6	70%	0.703	75%	0.751	S	S	*	*				80.5	95.5	88.5	-67.7	163.4	0	0	0	114.5
1292	T	29.3	Very low	30.8	Very low	119 Å²	119	129.5 Å²	129.5	73%	0.73	75%	0.751	S	S	*	*			trans	62.9	126.1	139.9	65.6	0	0	0	0	124.1
1293	S	28.6	Very low	31	Very low	98 Å²	98	133.6 Å²	133.6	69%	0.685	76%	0.759	S	S	*	*				95.3	129	127.4	-71.2	0	0	0	0	122.9
1294	T	29.1	Very low	31.3	Very low	119 Å²	119	134.6 Å²	134.6	73%	0.73	76%	0.761	S	S	*	*			trans	64.5	133.4	146.2	53.9	0	0	0	0	118.2
1295	N	31.9	Very low	31.6	Very low	124 Å²	124	135.2 Å²	135.2	66%	0.663	76%	0.761	S	S	*	*			cis	-170.3	145.2	20.5	-109.1	-16	0	0	0	111.7
1296	I	32.9	Very low	32.3	Very low	147 Å²	147	133.9 Å²	133.9	75%	0.754	76%	0.758	S	S	*	*			trans	63.9	151.7	134.9	-60.7	169.9	0	0	0	118.6
1297	P	32.7	Very low	32.6	Very low	109 Å²	109	135.2 Å²	135.2	71%	0.708	76%	0.76	S	S	*	*			cis	-119.7	167.8	-3	28.1	-8.3	0	0	0	115.8
1298	S	28	Very low	33.4	Very low	112 Å²	112	137.5 Å²	137.5	78%	0.783	76%	0.758	S	S	*	*			trans	-71	148.8	160.5	52.5	0	0	0	0	113.3
1299	V	36.7	Very low	33.8	Very low	127 Å²	127	136.6 Å²	136.6	77%	0.77	76%	0.755	S	S	*	*			trans	-120.8	131.4	157.9	177.9	0	0	0	0	108.3	Y1301	V1299-Y1301 HydrophobicContact CG1-CD2 3.97Å; V1299-Y1301 HydrophobicContact CG1-CE2 4.12Å
1300	N	30.6	Very low	34.7	Very low	125 Å²	125	137.2 Å²	137.2	67%	0.668	75%	0.752	S	S	*	*			trans	-124.3	136	-176.5	-175.9	6.7	0	0	0	109.1
1301	Y	36.5	Very low	35.2	Very low	216 Å²	216	140.6 Å²	140.6	85%	0.847	76%	0.761	S	S	*	*			trans	-142.1	79.9	178.1	-96.9	-72.1	0	0	0	111.4	V1299	V1299-Y1301 HydrophobicContact CG1-CD2 3.97Å; V1299-Y1301 HydrophobicContact CG1-CE2 4.12Å
1302	N	31.1	Very low	35.6	Very low	141 Å²	141	138 Å²	138	75%	0.754	77%	0.768	S	S	*	*			trans	-76.6	146.3	158	-77.9	-14.5	0	0	0	110
1303	K	34.5	Very low	36.2	Very low	202 Å²	202	141 Å²	141	88%	0.878	77%	0.774	S	S	*	*			trans	-147.7	112.3	157.8	-163.2	173.5	-175.6	-179.2	0	110.9
1304	S	32	Very low	36.8	Very low	111 Å²	111	141.3 Å²	141.3	78%	0.776	77%	0.771	S	S	*	*			trans	-105.8	143.9	-179.8	45.6	0	0	0	0	111.6
1305	V	37.1	Very low	37.6	Very low	129 Å²	129	142.8 Å²	142.8	78%	0.782	77%	0.774	S	S	*	*			trans	-157.5	132.5	172.5	177.3	0	0	0	0	106.9
1306	V	41.4	Very low	38.1	Very low	126 Å²	126	143.9 Å²	143.9	76%	0.764	78%	0.78	S	S	*	*			cis	-157.3	149.6	-17.5	124.9	0	0	0	0	106.3
1307	D	37.5	Very low	38.9	Very low	152 Å²	152	144.2 Å²	144.2	81%	0.813	78%	0.783	S	S	*	*			trans	-84.9	152.3	170.9	-68.4	-65.7	0	0	0	112.5
1308	E	44.7	Very low	39.4	Very low	165 Å²	165	147 Å²	147	77%	0.771	79%	0.792	S	S	*	*			trans	-143.6	108	146.5	-75	-163.1	171.7	0	0	110.9
1309	N	42.7	Very low	40.5	Very low	131 Å²	131	148.8 Å²	148.8	70%	0.701	79%	0.793	S	S	*	*			trans	60.1	160	133.3	-40.1	-28.8	0	0	0	119.2
1310	E	46	Very low	40.9	Very low	174 Å²	174	150.5 Å²	150.5	81%	0.813	80%	0.798	S	S	*	*			cis	-149.9	175.1	5.4	-148.9	156	-149.7	0	0	111.3
1311	E	42.8	Very low	41.6	Very low	188 Å²	188	147.5 Å²	147.5	88%	0.879	80%	0.797	S	S	*	*			trans	-44	147.7	-170.1	-59.4	170.6	167.2	0	0	119.2
1312	G	40.9	Very low	42.3	Very low	84 Å²	84	144 Å²	144	87%	0.866	79%	0.792	S	S	*	*			trans	-161.3	118.8	166.1	0	0	0	0	0	110.5
1313	E	42.4	Very low	43	Very low	180 Å²	180	143.4 Å²	143.4	84%	0.841	79%	0.789	S	S	*	*			trans	-117.8	151.5	-159.3	-150.2	-166.8	-143.9	0	0	113.5
1314	V	41.7	Very low	43.4	Very low	105 Å²	105	140.3 Å²	140.3	64%	0.636	79%	0.792	S	S	*	*			trans	60.2	114.3	165.4	-148.4	0	0	0	0	118.2
1315	L	46.4	Very low	43.9	Very low	150 Å²	150	140.9 Å²	140.9	79%	0.785	79%	0.786	S	S	*	*				-179.2	140.7	106.9	-93.6	168.2	0	0	0	111.9
1316	D	41.8	Very low	44	Very low	147 Å²	147	141.8 Å²	141.8	79%	0.786	79%	0.786	S	S	*	*			trans	-87.1	133.1	167.7	-49.8	-77.7	0	0	0	109.1
1317	D	48.6	Very low	43.9	Very low	155 Å²	155	142 Å²	142	83%	0.829	79%	0.788	S	S	*	*			trans	-138.2	101.5	164.3	-88.4	-48.4	0	0	0	108.4
1318	D	43.6	Very low	43.9	Very low	168 Å²	168	139.2 Å²	139.2	90%	0.898	77%	0.773	S	S	*	*			trans	-76.1	115.9	164.8	-72.6	-54.6	0	0	0	108.4
1319	D	50.6	Low	43.5	Very low	148 Å²	148	138.9 Å²	138.9	79%	0.791	77%	0.771	S	S	*	*			trans	-125.6	80.2	175.2	-162.2	11.7	0	0	0	111	G1321	D1319-G1321 PolarHBondContact O-N 2.87Å
1320	D	46.2	Very low	43.4	Very low	164 Å²	164	140.3 Å²	140.3	88%	0.877	77%	0.773	S	S	*	*			trans	-70.5	72.3	167.6	-96.2	-39	0	0	0	109.5	D1322	D1320-D1322 PolarHBondContact O-N 3.17Å
1321	G	45.9	Very low	43	Very low	62 Å²	62	138.3 Å²	138.3	64%	0.639	77%	0.768	S	S	*	*			trans	-74.6	81.6	-172.1	0	0	0	0	0	116.2	D1319	D1319-G1321 PolarHBondContact O-N 2.87Å
1322	D	49.9	Very low	42.8	Very low	142 Å²	142	135 Å²	135	76%	0.759	75%	0.754	S	S	*	*			trans	37.2	120.8	146.3	-72.2	-13	0	0	0	122.1	D1320	D1320-D1322 PolarHBondContact O-N 3.17Å
1323	D	45.7	Very low	42.8	Very low	129 Å²	129	136 Å²	136	69%	0.69	74%	0.736	S	S	*	*				41.4	124.3	127.1	-69.4	-19.4	0	0	0	123.1
1324	C	42.9	Very low	42.4	Very low	137 Å²	137	131.3 Å²	131.3	93%	0.926	72%	0.723	S	S	*	*			trans	-140.4	63	142	-97.4	0	0	0	0	111.1
1325	D	42.3	Very low	42.2	Very low	123 Å²	123	134 Å²	134	66%	0.658	73%	0.726	S	S	*	*			trans	36.9	108.4	154.4	-73.2	-33.6	0	0	0	120.9	V1327	D1325-V1327 HydrophobicContact CB-CG2 4.06Å; D1325-V1327 PolarHBondContact O-N 3.3Å; D1325-V1327 VanDerWaalsContact O-N 3.09Å
1326	N	39.8	Very low	41.7	Very low	147 Å²	147	133.9 Å²	133.9	79%	0.786	72%	0.721	S	S	*	*			trans	-69.6	88.5	150.1	172.1	48.2	0	0	0	110.9	N1328	N1326-N1328 VanDerWaalsContact C-N 3.34Å; N1326-N1328 PolarHBondContact O-N 3.13Å
1327	V	38.9	Very low	41.5	Very low	132 Å²	132	133.4 Å²	133.4	80%	0.8	71%	0.714	S	S	*	*			trans	-75.9	85.7	172.6	-170.7	0	0	0	0	110.6	D1325	D1325-V1327 HydrophobicContact CB-CG2 4.06Å; D1325-V1327 PolarHBondContact O-N 3.3Å; D1325-V1327 VanDerWaalsContact O-N 3.09Å
1328	N	38	Very low	40.9	Very low	92 Å²	92	131.2 Å²	131.2	49%	0.492	70%	0.702	S	S	.	*			trans	-85.7	-174.7	171.1	-158.2	17.8	0	0	0	111.8	N1326	N1326-N1328 VanDerWaalsContact C-N 3.34Å; N1326-N1328 PolarHBondContact O-N 3.13Å
1329	E	36.1	Very low	40.4	Very low	158 Å²	158	129.6 Å²	129.6	74%	0.738	69%	0.694	S	S	*	*			trans	2.3	132.5	143	-73.3	155.9	-143.8	0	0	116.8
1330	E	40.3	Very low	39.8	Very low	161 Å²	161	127.3 Å²	127.3	75%	0.752	69%	0.685	S	S	*	*			cis	-145.6	153.4	31.8	-97.4	-165.7	113.2	0	0	111.5
1331	L	38	Very low	39.4	Very low	132 Å²	132	125.3 Å²	125.3	69%	0.691	67%	0.674	S	S	*	*				61.6	139.2	74.3	-151.6	73.6	0	0	0	115.2
1332	M	39.1	Very low	39.1	Very low	119 Å²	119	130 Å²	130	59%	0.586	68%	0.68	S	S	*	*			trans	85.2	106.2	166.3	-60.3	-55.6	-173.6	0	0	122
1333	Q	40.4	Very low	38.5	Very low	104 Å²	104	127 Å²	127	49%	0.486	67%	0.67	S	S	.	*			trans	69.8	170.2	131.2	-56.9	170.1	65.7	0	0	119.8
1334	S	34.7	Very low	38.1	Very low	83 Å²	83	127.7 Å²	127.7	58%	0.58	67%	0.674	S	S	*	*				-155.4	159	-60.8	80.2	0	0	0	0	111.6
1335	K	36.4	Very low	37.8	Very low	162 Å²	162	126 Å²	126	70%	0.704	66%	0.659	S	S	*	*			trans	63.2	120.5	151.4	-73.8	176.9	174.3	173.6	0	120.3
1336	H	36.3	Very low	37.5	Very low	147 Å²	147	128.9 Å²	128.9	68%	0.681	66%	0.662	S	S	*	*			trans	70.5	155.1	132.8	-64.9	-47.4	0	0	0	118.7
1337	H	37.4	Very low	37.2	Very low	137 Å²	137	130.6 Å²	130.6	63%	0.634	66%	0.657	S	S	*	*			cis	-152.4	153.3	-1.8	-122.4	-44.8	0	0	0	111.6
1338	N	37	Very low	37.2	Very low	108 Å²	108	130.5 Å²	130.5	58%	0.578	65%	0.652	S	S	*	*			trans	65.7	120.2	140.1	-66.8	-12.2	0	0	0	122
1339	N	33.5	Very low	37.1	Very low	134 Å²	134	130.3 Å²	130.3	72%	0.717	66%	0.658	S	S	*	*				75	148.9	119.7	-63.4	-2.5	0	0	0	119.2
1340	T	37.5	Very low	37.1	Very low	101 Å²	101	130.1 Å²	130.1	62%	0.62	66%	0.657	S	S	*	*			cis	-159.3	154.6	1.9	2.7	0	0	0	0	111.3
1341	N	37.6	Very low	37	Very low	121 Å²	121	128.3 Å²	128.3	65%	0.647	65%	0.653	S	S	*	*			trans	65.5	155.9	145.5	-66.3	-13.5	0	0	0	118.1
1342	H	38.5	Very low	36.6	Very low	161 Å²	161	132.3 Å²	132.3	75%	0.745	66%	0.659	S	S	*	*			cis	-158	163.6	-7.2	-102.9	-18.5	0	0	0	106.1
1343	S	38	Very low	36.5	Very low	79 Å²	79	135.4 Å²	135.4	55%	0.552	67%	0.672	S	S	*	*			cis	-175.6	152.9	-11.4	52.9	0	0	0	0	110.4
1344	N	37	Very low	36.3	Very low	144 Å²	144	137.7 Å²	137.7	77%	0.77	69%	0.686	S	S	*	*			trans	67	152.7	146.3	-63.9	-7.7	0	0	0	118.9
1345	T	37.2	Very low	36.3	Very low	101 Å²	101	137.3 Å²	137.3	62%	0.62	69%	0.688	S	S	*	*			cis	-158.7	147.1	-10.1	16.8	0	0	0	0	106.7
1346	Y	35.2	Very low	36.3	Very low	183 Å²	183	137.5 Å²	137.5	72%	0.718	69%	0.691	S	S	*	*				178.2	151.4	82.1	-98.2	-96.7	0	0	0	106
1347	R	35	Very low	36.2	Very low	184 Å²	184	136.2 Å²	136.2	69%	0.694	69%	0.694	S	S	*	*			cis	-166	145.8	-17.8	-131.2	-161.1	-173.6	158.4	0.6	108.1
1348	N	37.7	Very low	36.1	Very low	130 Å²	130	135.2 Å²	135.2	70%	0.695	70%	0.702	S	S	*	*			trans	61.5	154.1	149.1	-70	23.4	0	0	0	118.9
1349	S	36.1	Very low	36.2	Very low	88 Å²	88	140 Å²	140	62%	0.615	71%	0.712	S	S	*	*			cis	-156.4	136.3	-5.9	25.6	0	0	0	0	112.1
1350	E	37.1	Very low	36.2	Very low	153 Å²	153	139.1 Å²	139.1	72%	0.715	71%	0.707	S	S	*	*			trans	75.9	147.8	132.8	-68.2	171.9	-133.2	0	0	120.5
1351	N	36.5	Very low	36.1	Very low	123 Å²	123	144.3 Å²	144.3	66%	0.658	72%	0.715	S	S	*	*			cis	-135.4	135.9	-13.6	-92.4	-47.5	0	0	0	107.4
1352	R	30.9	Very low	35.8	Very low	216 Å²	216	144.2 Å²	144.2	82%	0.815	71%	0.711	S	S	*	*				68.9	97.6	54.2	-74.7	-167.8	170.7	-157.2	0.3	116.1
1353	Q	36.7	Very low	35.5	Very low	184 Å²	184	144.7 Å²	144.7	86%	0.86	71%	0.713	S	S	*	*				-167	131.2	129.6	-98.7	161.7	40.9	0	0	106.8
1354	I	36.2	Very low	35.3	Very low	152 Å²	152	147.1 Å²	147.1	78%	0.779	72%	0.72	S	S	*	*			cis	113.6	153.4	33.5	-82.6	166.8	0	0	0	109.6
1355	A	35	Very low	35.3	Very low	76 Å²	76	148.3 Å²	148.3	63%	0.628	72%	0.718	S	S	*	*			trans	88.2	114.7	164.2	0	0	0	0	0	121.3
1356	H	35.5	Very low	35.1	Very low	166 Å²	166	149.1 Å²	149.1	77%	0.769	72%	0.723	S	S	*	*				58.9	107.2	128.3	-55.8	-50.8	0	0	0	120.8
1357	T	34.4	Very low	34.7	Very low	120 Å²	120	149.4 Å²	149.4	74%	0.736	72%	0.723	S	S	*	*				69.9	95	69	65.6	0	0	0	0	116.4
1358	S	35.6	Very low	34.3	Very low	116 Å²	116	145.6 Å²	145.6	81%	0.811	72%	0.716	S	S	*	*			trans	-175.3	169	144.1	-83.8	0	0	0	0	112.8
1359	R	38.4	Very low	34	Very low	207 Å²	207	147.9 Å²	147.9	78%	0.781	72%	0.72	S	S	*	*				-174.1	114.6	-51.1	-179.6	171.8	-172.2	172.3	4.5	110.6
1360	D	33.3	Very low	33.8	Very low	117 Å²	117	149.1 Å²	149.1	63%	0.626	72%	0.724	S	S	*	*			trans	49.3	166.3	158.2	-45.4	-32.2	0	0	0	120.4
1361	R	36.9	Very low	33.7	Very low	209 Å²	209	148.4 Å²	148.4	79%	0.789	72%	0.723	S	S	*	*			trans	69.7	124.8	173.5	-67.2	176	177	157.5	-1.2	116.2
1362	E	30.1	Very low	33.5	Very low	119 Å²	119	148.8 Å²	148.8	56%	0.556	73%	0.73	S	S	*	*			cis	70	133.3	9.6	-142.3	-173	-105.6	0	0	116.8
1363	H	32.5	Very low	33.5	Very low	171 Å²	171	141.6 Å²	141.6	79%	0.792	71%	0.713	S	S	*	*			trans	40.9	101.3	174	-76.5	-73.5	0	0	0	118.9
1364	L	33.2	Very low	33.1	Very low	131 Å²	131	140.9 Å²	140.9	69%	0.686	71%	0.709	S	S	*	*			trans	-164.9	148	155.7	-96.4	134.1	0	0	0	113
1365	K	37.1	Very low	32.9	Very low	169 Å²	169	139.6 Å²	139.6	74%	0.735	71%	0.713	S	S	*	*			trans	68.6	118.1	149.1	-71.3	172.5	177.4	172.6	0	118
1366	T	33.7	Very low	32.9	Very low	118 Å²	118	140.1 Å²	140.1	72%	0.724	72%	0.718	S	S	*	*				61.8	130.2	74.2	75	0	0	0	0	112.7
1367	R	26.9	Very low	33.4	Very low	189 Å²	189	136.9 Å²	136.9	71%	0.713	71%	0.714	S	S	*	*	S	Bend		51.3	119.3	75.5	-113.7	-173.6	176.1	130.6	-1.6	111.6
1368	D	27.6	Very low	34.2	Very low	103 Å²	103	137.5 Å²	137.5	55%	0.551	72%	0.718	S	S	*	*			trans	67.8	124.2	151	-68.2	-68.7	0	0	0	122.1
1369	K	31.1	Very low	35	Very low	178 Å²	178	136.7 Å²	136.7	77%	0.774	71%	0.71	S	S	*	*			trans	69.3	152.3	131.5	-61.7	171.8	-176.6	117.4	0	117.3
1370	V	30.7	Very low	35.4	Very low	115 Å²	115	137.6 Å²	137.6	70%	0.697	71%	0.713	S	S	*	*			cis	-157.1	141.2	3.2	106.4	0	0	0	0	113
1371	I	35	Very low	36	Very low	137 Å²	137	139.7 Å²	139.7	70%	0.703	72%	0.717	S	S	*	*			trans	33.9	128.5	146.1	-56	163.6	0	0	0	122.9
1372	T	32.1	Very low	36.3	Very low	131 Å²	131	135.7 Å²	135.7	80%	0.804	71%	0.711	S	S	*	*			trans	-134.5	112.1	130.9	-40.2	0	0	0	0	104.6
1373	S	30.5	Very low	36.7	Very low	65 Å²	65	134.8 Å²	134.8	46%	0.455	72%	0.718	S	S	.	*				74.7	132.7	53.7	84.3	0	0	0	0	113.1
1374	H	30.2	Very low	37	Very low	170 Å²	170	132 Å²	132	79%	0.787	71%	0.709	S	S	*	*			cis	-135.9	178.9	14	-69.7	-96.4	0	0	0	113.7
1375	S	31	Very low	37.2	Very low	124 Å²	124	133.2 Å²	133.2	87%	0.867	71%	0.708	S	S	*	*			trans	78.1	125.6	176.3	-53.8	0	0	0	0	116.4
1376	A	36.2	Very low	37.1	Very low	87 Å²	87	132.7 Å²	132.7	72%	0.719	71%	0.706	S	S	*	*			cis	-157.7	167.4	-8.7	0	0	0	0	0	112.1
1377	S	45.5	Very low	37.1	Very low	99 Å²	99	129.9 Å²	129.9	69%	0.692	70%	0.701	S	S	*	*			trans	54.2	100.3	157.4	50.1	0	0	0	0	120
1378	T	50.9	Low	37.4	Very low	132 Å²	132	126.8 Å²	126.8	81%	0.81	70%	0.695	S	S	*	*				80.7	158.8	87.3	54.7	0	0	0	0	116.7
1379	P	51.8	Low	37.5	Very low	99 Å²	99	129.3 Å²	129.3	64%	0.643	70%	0.703	S	S	*	*			cis	-143.5	163.9	-34.2	38.3	-21.1	0	0	0	116.4
1380	R	47.7	Very low	37.7	Very low	227 Å²	227	127.3 Å²	127.3	86%	0.857	70%	0.697	S	S	*	*			trans	64.9	163.7	151.8	-70.1	167	177	175.7	-1	116.7
1381	K	46.4	Very low	37.9	Very low	161 Å²	161	129.4 Å²	129.4	70%	0.7	70%	0.699	S	S	*	*			cis	-151.9	152.1	-8.9	-126.7	-177.3	176.9	-172.9	0	110
1382	N	41.7	Very low	37.9	Very low	124 Å²	124	130.8 Å²	130.8	66%	0.663	70%	0.702	S	S	*	*			trans	33	131.5	142.5	-58.2	12.7	0	0	0	123
1383	S	38.6	Very low	38.3	Very low	101 Å²	101	131.2 Å²	131.2	71%	0.706	70%	0.699	S	S	*	*				64.1	156.5	120.5	80.5	0	0	0	0	120.6
1384	D	38.3	Very low	38.6	Very low	113 Å²	113	135 Å²	135	60%	0.604	72%	0.715	S	S	*	*			cis	-156.6	176.5	5.4	-139.1	-21.5	0	0	0	111.9
1385	K	37.7	Very low	39	Very low	155 Å²	155	135.8 Å²	135.8	67%	0.674	72%	0.719	S	S	*	*			trans	12	149.2	152.1	-66	145.5	-165.5	152.4	0	122.4
1386	K	35.3	Very low	39.2	Very low	158 Å²	158	136.9 Å²	136.9	69%	0.687	72%	0.715	S	S	*	*			trans	59.8	138.5	143.6	-73.1	167.2	152.1	-75.9	0	117.5	E1388	K1386-E1388 IonicContact NZ-OE1 2.66Å; K1386-E1388 PolarHBondContact NZ-OE1 2.69Å; K1386-E1388 IonicContact NZ-OE2 2.64Å; K1386-E1388 PolarHBondContact NZ-OE2 3Å
1387	G	34	Very low	39.2	Very low	60 Å²	60	138 Å²	138	62%	0.619	72%	0.718	S	S	*	*			cis	102.3	159.4	15.4	0	0	0	0	0	111.1
1388	E	32.6	Very low	38.5	Very low	124 Å²	124	139.2 Å²	139.2	58%	0.579	73%	0.726	S	S	*	*			trans	67.3	132.6	-165.4	-60.8	107.3	-115.7	0	0	111.6	K1386	K1386-E1388 IonicContact NZ-OE1 2.66Å; K1386-E1388 PolarHBondContact NZ-OE1 2.69Å; K1386-E1388 IonicContact NZ-OE2 2.64Å; K1386-E1388 PolarHBondContact NZ-OE2 3Å
1389	Q	30.9	Very low	37.7	Very low	156 Å²	156	139.1 Å²	139.1	73%	0.729	73%	0.725	S	S	*	*				63	145.8	102.1	-65.2	165.4	-116.8	0	0	114.5
1390	E	34.2	Very low	36.6	Very low	136 Å²	136	141.1 Å²	141.1	64%	0.636	73%	0.73	S	S	*	*			cis	-112.7	167.2	0.7	-105.6	87.9	-142.1	0	0	109.3
1391	E	34.8	Very low	35.9	Very low	159 Å²	159	135.7 Å²	135.7	74%	0.743	72%	0.724	S	S	*	*				68.8	138.3	58.1	-136.4	163.4	-139.6	0	0	112.7
1392	E	35.4	Very low	35	Very low	166 Å²	166	132.5 Å²	132.5	78%	0.776	72%	0.722	S	S	*	*			trans	65.5	143.8	174	-59.7	173.2	176.8	0	0	116.6
1393	D	40.1	Very low	34.3	Very low	139 Å²	139	131.7 Å²	131.7	74%	0.743	73%	0.727	S	S	*	*			cis	-153.9	-177.8	-13	-118.1	-3.8	0	0	0	112.1
1394	D	36.6	Very low	33.9	Very low	146 Å²	146	135.9 Å²	135.9	78%	0.781	73%	0.732	S	S	*	*			trans	-58.3	159.5	174.5	-64.4	-56.7	0	0	0	114.3
1395	E	39.6	Very low	33.8	Very low	186 Å²	186	137.3 Å²	137.3	87%	0.869	74%	0.736	S	S	*	*				-179.7	151.6	124.3	-93.9	-82.7	136.5	0	0	111
1396	D	35.5	Very low	33.4	Very low	146 Å²	146	140.7 Å²	140.7	78%	0.781	74%	0.744	S	S	*	*			trans	-75.6	147.8	-168	-79.9	-53.7	0	0	0	115.3
1397	S	35.6	Very low	33.3	Very low	112 Å²	112	141.1 Å²	141.1	78%	0.783	75%	0.753	S	S	*	*			trans	-178.2	77.7	139.1	33.9	0	0	0	0	113	V1399	S1397-V1399 PolarHBondContact O-N 3.24Å; S1397-V1399 VanDerWaalsContact O-N 3.16Å
1398	S	30.7	Very low	33.3	Very low	124 Å²	124	145.7 Å²	145.7	87%	0.867	76%	0.758	S	S	*	*			trans	-76.6	99.3	172.5	62.7	0	0	0	0	112
1399	V	33.4	Very low	33.2	Very low	129 Å²	129	146.3 Å²	146.3	78%	0.782	77%	0.77	S	S	*	*			trans	-126.5	129.3	169.2	-179	0	0	0	0	109.4	S1397 P1401	S1397-V1399 PolarHBondContact O-N 3.24Å; S1397-V1399 VanDerWaalsContact O-N 3.16Å; V1399-P1401 WeakPolarHBondContact O-CD 3.31Å
1400	D	29.6	Very low	33.2	Very low	141 Å²	141	140.2 Å²	140.2	75%	0.754	75%	0.749	S	S	*	*			trans	-92.8	117.7	179	174	20.3	0	0	0	111.2	S1402	D1400-S1402 PolarHBondContact OD1-N 2.8Å
1401	P	33	Very low	33	Very low	113 Å²	113	141.9 Å²	141.9	73%	0.734	75%	0.75	S	S	*	*			trans	-105.4	87.7	168.5	36.2	-24	0	0	0	110.6	V1399	V1399-P1401 WeakPolarHBondContact O-CD 3.31Å
1402	S	27.9	Very low	32.9	Very low	94 Å²	94	142 Å²	142	66%	0.657	75%	0.754	S	S	*	*			trans	-51.2	154.1	152.5	71.5	0	0	0	0	110.6	D1400	D1400-S1402 PolarHBondContact OD1-N 2.8Å
1403	S	27.1	Very low	32.9	Very low	108 Å²	108	140.4 Å²	140.4	76%	0.755	75%	0.751	S	S	*	*			trans	84.2	65.6	-179.7	77.8	0	0	0	0	119.1
1404	F	29	Very low	32.5	Very low	189 Å²	189	136.2 Å²	136.2	83%	0.829	73%	0.728	S	S	*	*			trans	-158.3	152.3	146.2	-82.5	-39.3	0	0	0	108.7
1405	Q	37.5	Very low	32.4	Very low	143 Å²	143	137.8 Å²	137.8	67%	0.668	73%	0.731	S	S	*	*			cis	-141.4	138.7	-8.7	-108.3	144.2	21.9	0	0	106.4
1406	R	29.2	Very low	32.1	Very low	226 Å²	226	137.7 Å²	137.7	85%	0.853	74%	0.735	S	S	*	*				43.8	136.2	93.8	-77.9	-176.4	168.8	-178.1	-2.9	115
1407	L	33.3	Very low	32	Very low	167 Å²	167	134 Å²	134	87%	0.874	73%	0.725	S	S	*	*			trans	75.1	131.7	175.5	-48.4	159.5	0	0	0	112.1
1408	Q	34.1	Very low	31.7	Very low	155 Å²	155	136.2 Å²	136.2	72%	0.724	72%	0.72	S	S	*	*			cis	-132.4	85.9	41.4	-169	174.4	17.1	0	0	114.2	Y1411	Q1408-Y1411 HydrophobicContact CG-CD2 4.35Å; Q1408-Y1411 VanDerWaalsContact NE2-CD2 3.31Å
1409	V	29.4	Very low	31.9	Very low	138 Å²	138	139.7 Å²	139.7	84%	0.836	72%	0.722	S	S	*	*			trans	-64.6	147.9	156.6	174.4	0	0	0	0	109.2
1410	G	32	Very low	31.8	Very low	27 Å²	27	136.5 Å²	136.5	28%	0.278	72%	0.716	S	S	.	*			trans	92.3	50.9	156.9	0	0	0	0	0	118.4	N1414	G1410-N1414 WeakPolarHBondContact O-CB 3.41Å; G1410-N1414 PolarHBondContact O-ND2 3.41Å
1411	Y	29.5	Very low	31.9	Very low	171 Å²	171	136.8 Å²	136.8	67%	0.671	72%	0.718	S	S	*	*	S	Bend	trans	-129.3	3.8	169.4	-101.7	-74	0	0	0	118	Q1408	Q1408-Y1411 HydrophobicContact CG-CD2 4.35Å; Q1408-Y1411 VanDerWaalsContact NE2-CD2 3.31Å
1412	I	33.1	Very low	31.9	Very low	161 Å²	161	137.2 Å²	137.2	83%	0.826	72%	0.718	S	S	*	*	S	Bend	trans	-121.3	-39.1	162.6	-64.4	-176.7	0	0	0	110.9	N1414 H1415	I1412-N1414 PolarHBondContact O-N 2.91Å; I1412-H1415 PolarHBondContact O-N 3.43Å
1413	L	34.2	Very low	32	Very low	134 Å²	134	139 Å²	139	70%	0.702	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	26.4	162.1	-82.2	168.7	0	0	0	114.1	I645	I645-L1413 HydrophobicContact CD1-CD1 3.46Å; I645-L1413 VanDerWaalsContact CD1-CD1 3.46Å; I645-L1413 HydrophobicContact CG1-CD1 4.24Å
1414	N	32.4	Very low	32.2	Very low	51 Å²	51	139.1 Å²	139.1	27%	0.273	71%	0.714	S	S	.	*	T	Hydrogen-bonded Turn	trans	-132.9	16.2	-176.8	-150.7	4.9	0	0	0	111.9	G1410 I1412 K1418	G1410-N1414 WeakPolarHBondContact O-CB 3.41Å; G1410-N1414 PolarHBondContact O-ND2 3.41Å; I1412-N1414 PolarHBondContact O-N 2.91Å; N1414-K1418 WeakPolarHBondContact OD1-CD 3.39Å
1415	H	33.3	Very low	32.6	Very low	179 Å²	179	138.1 Å²	138.1	83%	0.829	71%	0.712	S	S	*	*	S	Bend	trans	-129.2	-2.2	174.4	-101.8	-47.1	0	0	0	115.5	I1412	I1412-H1415 PolarHBondContact O-N 3.43Å
1416	L	34.1	Very low	32.4	Very low	184 Å²	184	137.1 Å²	137.1	96%	0.963	72%	0.717	S	S	*	*	S	Bend	trans	-114.2	-0.4	163.8	-82.3	168	0	0	0	113.4
1417	A	33.7	Very low	32.4	Very low	68 Å²	68	132 Å²	132	56%	0.562	71%	0.707	S	S	*	*	S	Bend	trans	-134.3	56	179	0	0	0	0	0	111.6
1418	K	29.8	Very low	32.5	Very low	159 Å²	159	130.4 Å²	130.4	69%	0.691	70%	0.699	S	S	*	*			trans	-171.4	55.8	166.3	-106	145.7	-166.1	162.6	0	115.8	N1414	N1414-K1418 WeakPolarHBondContact OD1-CD 3.39Å
1419	H	34.7	Very low	32.3	Very low	196 Å²	196	128.9 Å²	128.9	91%	0.907	70%	0.696	S	S	*	*				-121.1	123.2	124.5	-70.2	-96.3	0	0	0	103
1420	G	31.2	Very low	32.5	Very low	63 Å²	63	127.7 Å²	127.7	65%	0.649	69%	0.689	S	S	*	*			cis	98.9	117.1	34.9	0	0	0	0	0	106.4
1421	N	31.8	Very low	32.4	Very low	147 Å²	147	130 Å²	130	79%	0.786	70%	0.695	S	S	*	*			cis	-154.2	149.7	28	-97.3	0.3	0	0	0	110.4
1422	V	32.2	Very low	32.5	Very low	121 Å²	121	127.6 Å²	127.6	73%	0.733	69%	0.685	S	S	*	*				61.4	127	99.4	-172.3	0	0	0	0	112.1
1423	E	30.2	Very low	32.3	Very low	132 Å²	132	128.4 Å²	128.4	62%	0.617	69%	0.685	S	S	*	*			cis	-143	-159.4	30.6	-133.5	179.6	-151.1	0	0	111.9	Q789	Q789-E1423 PolarHBondContact N-OE2 3.01Å; Q789-E1423 VanDerWaalsContact N-OE2 3.07Å
1424	P	31.4	Very low	32.1	Very low	110 Å²	110	126.1 Å²	126.1	71%	0.714	67%	0.673	S	S	*	*			trans	-132.1	-164	-141.3	39.7	-14	0	0	0	116.5
1425	E	37.7	Very low	31.9	Very low	168 Å²	168	129 Å²	129	79%	0.785	69%	0.692	S	S	*	*			trans	-62.2	167.9	173.4	-57.5	-173.1	156.2	0	0	115.3
1426	P	32.9	Very low	31.8	Very low	122 Å²	122	124.3 Å²	124.3	79%	0.792	67%	0.672	S	S	*	*				-132.6	131.8	104.3	34.9	-24.9	0	0	0	113.1
1427	N	30.1	Very low	31.4	Very low	118 Å²	118	119.7 Å²	119.7	63%	0.631	66%	0.655	S	S	*	*				96.6	159	59.1	-172.3	35.3	0	0	0	112.8
1428	L	34.7	Very low	31.2	Very low	134 Å²	134	122 Å²	122	70%	0.702	66%	0.657	S	S	*	*			trans	80.9	101.4	176.6	-52.9	174	0	0	0	114.6
1429	D	30.9	Very low	31.1	Very low	123 Å²	123	120.5 Å²	120.5	66%	0.658	66%	0.657	S	S	*	*				88.1	111.7	69.8	-87	-38.9	0	0	0	112.5
1430	T	32.3	Very low	30.8	Very low	113 Å²	113	115.5 Å²	115.5	69%	0.693	64%	0.644	S	S	*	*				78.6	108.4	70.8	-60.1	0	0	0	0	112.2
1431	D	30.7	Very low	30.6	Very low	77 Å²	77	117.3 Å²	117.3	41%	0.412	65%	0.646	S	S	.	*			trans	-165.4	141.8	138.9	-124.6	-19.7	0	0	0	114.9	N778	N778-D1431 PolarHBondContact ND2-OD1 3.02Å; N778-D1431 PolarHBondContact ND2-OD2 2.8Å
1432	R	31.5	Very low	30.4	Very low	120 Å²	120	119.4 Å²	119.4	45%	0.453	65%	0.651	S	S	.	*			trans	59.8	120	156.7	-58.7	156.8	-145	-145.9	9.9	117.4	H777	H777-R1432 PolarHBondContact CE1-NH1 3.07Å; H777-R1432 VanDerWaalsContact CE1-NH1 3.27Å; H777-R1432 PolarHBondContact CE1-NH2 3.01Å; H777-R1432 PolarHBondContact ND1-NH2 3.17Å; H777-R1432 PolarHBondContact NE2-NH1 3.11Å; H777-R1432 VanDerWaalsContact NE2-NH1 3.19Å
1433	Q	27.7	Very low	30.2	Very low	178 Å²	178	118.9 Å²	118.9	83%	0.832	65%	0.653	S	S	*	*				60	151.1	53.9	-62.1	-164.9	-0.3	0	0	115.8
1434	I	30.8	Very low	30.1	Very low	86 Å²	86	119.5 Å²	119.5	44%	0.441	67%	0.666	S	S	.	*			trans	95.2	104	-170.2	-57.7	160.9	0	0	0	110.4	K774 V775	K774-I1434 HydrophobicContact CB-CG2 4.39Å; K774-I1434 HydrophobicContact CG-CG2 3.98Å; V775-I1434 VanDerWaalsContact N-CD1 3.28Å
1435	V	28.2	Very low	29.9	Very low	112 Å²	112	118.8 Å²	118.8	68%	0.679	66%	0.663	S	S	*	*			cis	79.5	146.6	47.2	-175.9	0	0	0	0	112.4
1436	I	31.3	Very low	29.5	Very low	80 Å²	80	120.5 Å²	120.5	41%	0.41	66%	0.663	S	S	.	*			trans	80.9	105.9	-166.4	-47.5	160.5	0	0	0	110.1	K774	K774-I1436 HydrophobicContact CG-CD1 3.96Å
1437	S	26.5	Very low	29.4	Very low	86 Å²	86	119.4 Å²	119.4	60%	0.601	65%	0.65	S	S	*	*			cis	87.6	130.8	34.9	-53.3	0	0	0	0	114.4
1438	L	28.7	Very low	29.4	Very low	117 Å²	117	121.3 Å²	121.3	61%	0.613	66%	0.655	S	S	*	*			trans	70.2	146.4	164.1	-61.4	152.1	0	0	0	115.4	N771	N771-L1438 WeakPolarHBondContact OD1-CD1 3.09Å
1439	D	27.9	Very low	29.4	Very low	128 Å²	128	122 Å²	122	68%	0.684	66%	0.659	S	S	*	*			cis	-149.6	161.9	-3.5	-144.1	-21.2	0	0	0	113.6
1440	S	27.1	Very low	29.5	Very low	90 Å²	90	122.2 Å²	122.2	63%	0.629	66%	0.657	S	S	*	*			trans	28.8	111	140	-70.3	0	0	0	0	121.4
1441	S	27.7	Very low	29.5	Very low	101 Å²	101	125.2 Å²	125.2	71%	0.706	66%	0.656	S	S	*	*				111.8	151.7	100.4	77.4	0	0	0	0	121.7
1442	Q	27.4	Very low	29.6	Very low	191 Å²	191	125.3 Å²	125.3	89%	0.893	65%	0.653	S	S	*	*			trans	78.8	138.3	156.5	-71	178.8	42.9	0	0	120.6
1443	S	29	Very low	29.7	Very low	110 Å²	110	125.3 Å²	125.3	77%	0.769	66%	0.662	S	S	*	*			trans	-95	153.5	178.9	51.6	0	0	0	0	111.7
1444	V	27.9	Very low	29.9	Very low	145 Å²	145	123 Å²	123	88%	0.879	65%	0.654	S	S	*	*			trans	-149.1	157.5	144.1	129.1	0	0	0	0	109.2
1445	S	27.4	Very low	29.8	Very low	96 Å²	96	123.9 Å²	123.9	67%	0.671	66%	0.659	S	S	*	*			trans	-90	-165.9	-178.1	51.8	0	0	0	0	112.7
1446	R	29.2	Very low	30	Very low	203 Å²	203	124.8 Å²	124.8	77%	0.766	66%	0.656	S	S	*	*			trans	88.6	141.4	171.9	-53.8	-162.1	75.4	157.3	-2	114.5
1447	D	30.2	Very low	30	Very low	99 Å²	99	126.7 Å²	126.7	53%	0.529	67%	0.671	S	S	.	*			cis	-151.6	147.1	-2.4	-108.4	2.5	0	0	0	111.8
1448	E	31.2	Very low	30.3	Very low	159 Å²	159	131.4 Å²	131.4	74%	0.743	68%	0.682	S	S	*	*			trans	65	-172.8	134.4	-57.1	-70.7	99.8	0	0	121.6
1449	D	33.8	Very low	30.5	Very low	147 Å²	147	132.3 Å²	132.3	79%	0.786	69%	0.687	S	S	*	*			trans	54.4	57.8	-172.8	-60.6	-9.6	0	0	0	113.9
1450	E	32.6	Very low	30.5	Very low	128 Å²	128	131 Å²	131	60%	0.598	69%	0.688	S	S	*	*				10.5	106.7	89.4	-173.8	171.6	-101.4	0	0	115.1	K1452	E1450-K1452 HydrophobicContact CG-CB 3.71Å; E1450-K1452 HydrophobicContact CG-CG 3.89Å; E1450-K1452 IonicContact OE1-NZ 2.68Å; E1450-K1452 PolarHBondContact OE1-NZ 2.85Å; E1450-K1452 IonicContact OE2-NZ 3.57Å; E1450-K1452 PolarHBondContact OE2-NZ 2.87Å
1451	Y	32.1	Very low	30.6	Very low	176 Å²	176	132.1 Å²	132.1	69%	0.69	69%	0.691	S	S	*	*			trans	-159.5	134.2	139.4	-99.6	-51.5	0	0	0	110	Q1722	Y1451-Q1722 CarbonylContact C-O 3.5Å; Y1451-Q1722 HydrophobicContact CD1-CB 3.63Å; Y1451-Q1722 HydrophobicContact CD1-CG 4.13Å; Y1451-Q1722 VanDerWaalsContact CD2-NE2 3.31Å; Y1451-Q1722 HydrophobicContact CE1-CB 4.48Å; Y1451-Q1722 VanDerWaalsContact CE1-NE2 3.27Å; Y1451-Q1722 HydrophobicContact CG-CB 4.1Å; Y1451-Q1722 VanDerWaalsContact CG-CD 3.43Å; Y1451-Q1722 HydrophobicContact CG-CG 4.34Å
1452	K	32.8	Very low	30.8	Very low	80 Å²	80	135 Å²	135	35%	0.348	69%	0.693	S	S	.	*				-164.2	90	-78.4	-179.9	-124.9	-154.6	67.5	0	110.7	E1450 P1720 W1721 Q1722	E1450-K1452 HydrophobicContact CG-CB 3.71Å; E1450-K1452 HydrophobicContact CG-CG 3.89Å; E1450-K1452 IonicContact OE1-NZ 2.68Å; E1450-K1452 PolarHBondContact OE1-NZ 2.85Å; E1450-K1452 IonicContact OE2-NZ 3.57Å; E1450-K1452 PolarHBondContact OE2-NZ 2.87Å; K1452-P1720 VanDerWaalsContact CD-O 3.24Å; K1452-P1720 WeakPolarHBondContact CD-O 3.21Å; K1452-W1721 CarbonylContact O-C 3.49Å; K1452-W1721 VanDerWaalsContact O-CA 3.3Å; K1452-W1721 WeakPolarHBondContact O-CA 3.29Å; K1452-Q1722 CarbonylContact C-O 3.56Å; K1452-Q1722 WeakPolarHBondContact CA-O 2.89Å; K1452-Q1722 PolarHBondContact N-O 2.6Å; K1452-Q1722 PolarHBondContact O-N 2.62Å
1453	L	34.3	Very low	31	Very low	119 Å²	119	133.2 Å²	133.2	62%	0.623	69%	0.689	S	S	*	*			trans	75	-129.3	170.1	-131.3	168.8	0	0	0	111.4	W1721 Q1722	L1453-W1721 VanDerWaalsContact C-CE3 3.48Å; L1453-W1721 VanDerWaalsContact C-CG 3.41Å; L1453-W1721 VanDerWaalsContact C-CZ2 3.44Å; L1453-W1721 WeakPolarHBondContact O-CH2 3.34Å; L1453-W1721 WeakPolarHBondContact O-CZ2 3.27Å; L1453-W1721 WeakPolarHBondContact O-CZ3 3.42Å; L1453-Q1722 CarbonylContact C-O 3.51Å; L1453-Q1722 PolarHBondContact N-O 2.76Å; L1453-Q1722 VanDerWaalsContact N-O 3.17Å; L1453-Q1722 CarbonylContact O-C 3.37Å
1454	I	31.5	Very low	31.1	Very low	130 Å²	130	132.8 Å²	132.8	67%	0.667	69%	0.686	S	S	*	*			trans	61.9	80.5	-152.1	-40.4	175.2	0	0	0	121.1	W1721	I1454-W1721 VanDerWaalsContact C-CD1 3.41Å; I1454-W1721 VanDerWaalsContact C-CD2 3.41Å; I1454-W1721 HydrophobicContact CB-CB 3.82Å; I1454-W1721 HydrophobicContact CB-CD2 2.7Å; I1454-W1721 VanDerWaalsContact CB-CE2 3.4Å; I1454-W1721 HydrophobicContact CB-CE3 3.27Å; I1454-W1721 HydrophobicContact CB-CG 2.95Å; I1454-W1721 HydrophobicContact CB-CH2 4.41Å; I1454-W1721 HydrophobicContact CB-CZ2 4.18Å; I1454-W1721 HydrophobicContact CB-CZ3 4.04Å; I1454-W1721 HydrophobicContact CD1-CD2 4.32Å; I1454-W1721 HydrophobicContact CD1-CE3 4.2Å; I1454-W1721 HydrophobicContact CD1-CG 4.47Å; I1454-W1721 HydrophobicContact CG1-CB 3.21Å; I1454-W1721 HydrophobicContact CG1-CD2 3.06Å; I1454-W1721 HydrophobicContact CG1-CE3 3.36Å; I1454-W1721 HydrophobicContact CG1-CG 2.96Å; I1454-W1721 HydrophobicContact CG1-CZ3 4.44Å; I1454-W1721 HydrophobicContact CG2-CD2 4.23Å; I1454-W1721 HydrophobicContact CG2-CG 4.13Å; I1454-W1721 VanDerWaalsContact N-CB 3.29Å; I1454-W1721 VanDerWaalsContact N-CE3 3.29Å; I1454-W1721 WeakPolarHBondContact O-CZ2 3.32Å
1455	D	29.9	Very low	31.1	Very low	105 Å²	105	133 Å²	133	56%	0.561	68%	0.682	S	S	*	*			trans	-150.1	107.1	-159.5	179	26.1	0	0	0	106.8	K1719 W1721	D1455-K1719 PolarHBondContact O-NZ 2.91Å; D1455-W1721 HydrophobicContact CB-CZ2 4.17Å
1456	E	32.3	Very low	31.3	Very low	131 Å²	131	140 Å²	140	61%	0.612	70%	0.696	S	S	*	*			trans	-141.3	74	-174.2	-66.2	-158.2	164.2	0	0	111	F1458 K1719	E1456-F1458 PolarHBondContact O-N 2.71Å; E1456-K1719 VanDerWaalsContact CG-NZ 3.3Å; E1456-K1719 IonicContact OE1-NZ 3.63Å; E1456-K1719 PolarHBondContact OE1-NZ 3.28Å
1457	T	31.4	Very low	31.4	Very low	119 Å²	119	134.8 Å²	134.8	73%	0.73	69%	0.691	S	S	*	*			trans	-50.2	118	146.6	53.2	0	0	0	0	109.5
1458	F	32.8	Very low	31.4	Very low	186 Å²	186	137.9 Å²	137.9	82%	0.816	71%	0.706	S	S	*	*			trans	-104.1	123.2	161.5	-105.1	-86.6	0	0	0	109.9	E1456	E1456-F1458 PolarHBondContact O-N 2.71Å
1459	N	31	Very low	31.5	Very low	136 Å²	136	137.1 Å²	137.1	73%	0.727	70%	0.702	S	S	*	*			trans	-77.3	146.2	178.3	-78.3	-64.4	0	0	0	111.3
1460	S	28.8	Very low	31.5	Very low	101 Å²	101	135.9 Å²	135.9	71%	0.706	69%	0.691	S	S	*	*			trans	45.8	141.1	140.3	-48.1	0	0	0	0	119.1
1461	T	29.8	Very low	31.5	Very low	113 Å²	113	131.4 Å²	131.4	69%	0.693	67%	0.674	S	S	*	*				173.5	133.9	78.7	-61.1	0	0	0	0	109.9
1462	E	30.6	Very low	31.7	Very low	161 Å²	161	131.4 Å²	131.4	75%	0.752	68%	0.681	S	S	*	*			trans	58.2	115.8	151.7	-67.6	168.3	-162	0	0	124.6
1463	L	32.4	Very low	31.8	Very low	153 Å²	153	134.7 Å²	134.7	80%	0.801	70%	0.701	S	S	*	*				77.6	146.3	116.7	-67.6	170.6	0	0	0	124.9
1464	S	30.2	Very low	31.8	Very low	102 Å²	102	134 Å²	134	71%	0.713	71%	0.706	S	S	*	*			trans	79.4	101	151.3	53.8	0	0	0	0	120.8
1465	D	28.9	Very low	32	Very low	148 Å²	148	135 Å²	135	79%	0.791	71%	0.711	S	S	*	*				26.4	123.3	123.4	-48.1	-10.5	0	0	0	119.2
1466	Y	32.4	Very low	32.4	Very low	243 Å²	243	137.6 Å²	137.6	95%	0.953	72%	0.72	S	S	*	*				-157.4	147.7	112.5	-110.9	-75	0	0	0	110.8
1467	S	30	Very low	32.5	Very low	95 Å²	95	138.3 Å²	138.3	66%	0.664	73%	0.728	S	S	*	*			trans	-105.5	152.6	179.1	173.3	0	0	0	0	111.4
1468	I	31	Very low	33.1	Very low	164 Å²	164	140.9 Å²	140.9	84%	0.841	73%	0.732	S	S	*	*			trans	-165	151	140.4	-100.7	150	0	0	0	110.3
1469	Q	33.1	Very low	33.2	Very low	143 Å²	143	138.7 Å²	138.7	67%	0.668	73%	0.729	S	S	*	*			trans	-86	-176.3	-177.1	-51.4	146	-103.7	0	0	111
1470	E	33.5	Very low	33.6	Very low	120 Å²	120	138.2 Å²	138.2	56%	0.561	72%	0.724	S	S	*	*			cis	-160	-176.2	6.2	-154.9	141.3	-116.7	0	0	112.1	S906 C907	S906-E1470 CarbonylContact C-O 3.51Å; S906-E1470 WeakPolarHBondContact CA-O 3.29Å; C907-E1470 PolarHBondContact N-O 2.93Å
1471	S	32.3	Very low	33.9	Very low	35 Å²	35	142.8 Å²	142.8	25%	0.245	73%	0.725	C	S	.	*			trans	94.6	160	144.9	111.4	0	0	0	0	124	D905 S906	D905-S1471 VanDerWaalsContact CA-OG 3.27Å; D905-S1471 WeakPolarHBondContact CA-OG 3.46Å; D905-S1471 WeakPolarHBondContact CB-OG 3.47Å; D905-S1471 WeakPolarHBondContact OD1-CB 3.41Å; D905-S1471 WeakPolarHBondContact OD2-CB 3.43Å; D905-S1471 PolarHBondContact OD2-OG 2.87Å; S906-S1471 WeakPolarHBondContact CA-OG 3.03Å; S906-S1471 VanDerWaalsContact CB-OG 3.32Å; S906-S1471 WeakPolarHBondContact CB-OG 2.99Å; S906-S1471 PolarHBondContact OG-OG 2.83Å
1472	E	35.9	Very low	34.4	Very low	175 Å²	175	145.4 Å²	145.4	82%	0.818	73%	0.73	S	S	*	*			trans	-139.2	155.9	-171.2	-48.1	170.4	129.8	0	0	109
1473	I	35.6	Very low	34.6	Very low	150 Å²	150	141.7 Å²	141.7	77%	0.769	72%	0.722	S	S	*	*			trans	-133.9	142.5	158.5	-70.6	-174.9	0	0	0	108.7
1474	S	34.2	Very low	34.8	Very low	104 Å²	104	139.2 Å²	139.2	73%	0.727	71%	0.709	S	S	*	*			trans	-118.7	156.9	-173.7	-173.1	0	0	0	0	112.5
1475	L	36.4	Very low	35	Very low	150 Å²	150	143.5 Å²	143.5	79%	0.785	71%	0.71	S	S	*	*			trans	-169.1	151.7	163.9	-91.1	127.7	0	0	0	107.1
1476	E	37.4	Very low	35.2	Very low	161 Å²	161	146.1 Å²	146.1	75%	0.752	71%	0.709	S	S	*	*			cis	172	156.6	-37.8	-107.3	-178.7	171.4	0	0	105.3
1477	D	35.6	Very low	35.2	Very low	146 Å²	146	139.4 Å²	139.4	78%	0.781	70%	0.697	S	S	*	*			trans	46.3	123.9	162	-69.7	-2	0	0	0	123.8
1478	E	42.4	Very low	35.3	Very low	173 Å²	173	140.5 Å²	140.5	81%	0.808	70%	0.7	S	S	*	*				-166	148.7	99.7	-108.9	-76.7	147.8	0	0	111.4
1479	D	36.6	Very low	35.4	Very low	139 Å²	139	141.4 Å²	141.4	74%	0.743	70%	0.697	S	S	*	*			trans	-139.1	119.6	-171.2	172.2	32.8	0	0	0	112.2
1480	M	37.7	Very low	35.4	Very low	127 Å²	127	140.9 Å²	140.9	63%	0.626	70%	0.695	S	S	*	*			trans	-145.4	101.7	-178.6	-86.3	-75.5	-91.7	0	0	114.9
1481	R	36.4	Very low	35.2	Very low	196 Å²	196	145.3 Å²	145.3	74%	0.74	71%	0.708	S	S	*	*				39.6	136.3	123.6	-52.8	173.9	-153.9	167.1	12.4	117.4
1482	Q	39	Very low	35.2	Very low	168 Å²	168	146.8 Å²	146.8	79%	0.785	73%	0.728	S	S	*	*			cis	-176.3	-173.2	18.9	-124.4	-176.4	49.6	0	0	108.3
1483	S	36.6	Very low	35	Very low	84 Å²	84	145.2 Å²	145.2	59%	0.587	73%	0.726	S	S	*	*			cis	-158.5	157.8	5.1	-140.8	0	0	0	0	114.5
1484	D	34.7	Very low	34.7	Very low	101 Å²	101	146.5 Å²	146.5	54%	0.54	73%	0.726	S	S	.	*			trans	21	113.3	137.9	-161.2	30.9	0	0	0	120.8
1485	R	36.2	Very low	34.5	Very low	191 Å²	191	151 Å²	151	72%	0.721	73%	0.728	S	S	*	*				173	130.1	101.4	-90.9	176.4	-168.4	177.9	8.7	117
1486	R	33.3	Very low	34.4	Very low	204 Å²	204	150 Å²	150	77%	0.77	73%	0.731	S	S	*	*				46.2	134.5	128.1	-59.8	176.4	-168.7	-152	0.4	119.6
1487	S	32.3	Very low	34.1	Very low	102 Å²	102	146.7 Å²	146.7	71%	0.713	73%	0.726	S	S	*	*			cis	-172.8	135	9.4	50.2	0	0	0	0	116.4
1488	V	32.1	Very low	34	Very low	117 Å²	117	146.3 Å²	146.3	71%	0.709	72%	0.723	S	S	*	*				74.7	124.1	124.2	176.3	0	0	0	0	121.5
1489	K	33	Very low	33.6	Very low	183 Å²	183	143.6 Å²	143.6	80%	0.796	71%	0.713	S	S	*	*			trans	76.2	152.8	159.1	-72.9	161.5	-167.1	173.1	0	119.4
1490	H	31.8	Very low	33.4	Very low	133 Å²	133	146.7 Å²	146.7	62%	0.616	72%	0.716	S	S	*	*			cis	-179.4	135.2	-40.1	-123.5	-64.8	0	0	0	110.2
1491	Y	30.8	Very low	33	Very low	213 Å²	213	150.2 Å²	150.2	84%	0.835	72%	0.722	S	S	*	*			trans	63.1	147.3	169.2	-54.6	-69.6	0	0	0	117.1
1492	G	31.1	Very low	32.8	Very low	65 Å²	65	147.4 Å²	147.4	67%	0.67	72%	0.717	S	S	*	*			cis	-175.5	159.8	-3.8	0	0	0	0	0	113.4
1493	N	31.3	Very low	32.4	Very low	143 Å²	143	147.3 Å²	147.3	77%	0.765	72%	0.719	S	S	*	*			trans	-59.4	156.5	-170.8	-42.5	-1.1	0	0	0	114.4
1494	F	30.4	Very low	32.2	Very low	177 Å²	177	150.4 Å²	150.4	78%	0.776	73%	0.728	S	S	*	*				-154.7	150.5	127.6	-109.9	-72.2	0	0	0	112.3
1495	Y	30	Very low	32.1	Very low	197 Å²	197	156 Å²	156	77%	0.773	74%	0.742	S	S	*	*			trans	-76.6	157	-178	-77.2	-112.5	0	0	0	113.1
1496	P	33.8	Very low	31.9	Very low	129 Å²	129	153.2 Å²	153.2	84%	0.838	75%	0.746	S	S	*	*			trans	-85.1	111.6	143.5	33.4	-25.3	0	0	0	109.9
1497	S	31.5	Very low	31.9	Very low	93 Å²	93	155.3 Å²	155.3	65%	0.65	75%	0.754	S	S	*	*			trans	-121.4	159.8	153.9	64.8	0	0	0	0	109
1498	N	32.3	Very low	31.9	Very low	137 Å²	137	161.5 Å²	161.5	73%	0.733	76%	0.762	S	S	*	*			trans	73.8	123.2	158.9	-75.8	-11.9	0	0	0	121.3
1499	I	34.6	Very low	32.1	Very low	116 Å²	116	163.8 Å²	163.8	60%	0.595	77%	0.768	S	S	*	*			trans	75.5	125.6	140.6	-53.6	157.7	0	0	0	117.8	R1501	I1499-R1501 HydrophobicContact CG2-CB 4.24Å
1500	Y	32.5	Very low	32.1	Very low	205 Å²	205	162.5 Å²	162.5	80%	0.804	77%	0.765	S	S	*	*				174.4	120.7	113.1	-94.1	-73.1	0	0	0	107.4
1501	R	30.2	Very low	32.2	Very low	200 Å²	200	165.4 Å²	165.4	76%	0.755	78%	0.776	S	S	*	*			cis	71.6	81.9	33.3	-156.7	-165.7	-149.5	-166.1	9.7	113.5	I1499	I1499-R1501 HydrophobicContact CG2-CB 4.24Å
1502	H	31.4	Very low	32.3	Very low	137 Å²	137	164.5 Å²	164.5	63%	0.634	78%	0.777	S	S	*	*			trans	169.9	128.1	130.7	-98.2	-76.1	0	0	0	112.8
1503	M	31.5	Very low	32.4	Very low	166 Å²	166	171.1 Å²	171.1	82%	0.818	78%	0.781	S	S	*	*			trans	-143.9	36.1	154.4	-111.6	-71	-84.3	0	0	111.5	R1505	M1503-R1505 PolarHBondContact O-N 3.14Å
1504	L	32.4	Very low	32.6	Very low	149 Å²	149	171 Å²	171	78%	0.78	78%	0.78	S	S	*	*			trans	-77.4	99.5	167.1	-80.2	172.3	0	0	0	109.2
1505	R	32.6	Very low	32.9	Very low	218 Å²	218	168 Å²	168	82%	0.823	77%	0.772	S	S	*	*			trans	-99.9	98.8	-178.1	-156.2	172.6	-164.9	167.9	6	110.8	M1503	M1503-R1505 PolarHBondContact O-N 3.14Å
1506	T	31	Very low	33.3	Very low	134 Å²	134	165.3 Å²	165.3	82%	0.822	77%	0.772	S	S	*	*			trans	-64.3	140.2	179.8	45.9	0	0	0	0	112.5
1507	R	34.4	Very low	33.4	Very low	248 Å²	248	163.1 Å²	163.1	94%	0.936	76%	0.759	S	S	*	*			trans	-127.6	123.9	159.5	-81.1	-168.3	170.7	-166.1	-1.5	109.7
1508	R	30.4	Very low	33.6	Very low	231 Å²	231	167.4 Å²	167.4	87%	0.872	77%	0.767	S	S	*	*			trans	-78	138.2	170.7	-68.5	169.8	166.7	157.2	-6.2	110.1
1509	I	36.4	Very low	33.6	Very low	165 Å²	165	165.1 Å²	165.1	85%	0.846	76%	0.761	S	S	*	*			trans	-171.8	102.9	141.8	-87.7	138.2	0	0	0	103
1510	Q	34.5	Very low	33.8	Very low	156 Å²	156	165.8 Å²	165.8	73%	0.729	77%	0.766	S	S	*	*				66.5	100.5	74	-74.5	-150.5	17.6	0	0	116.1
1511	K	32.4	Very low	34.1	Very low	194 Å²	194	166 Å²	166	84%	0.843	77%	0.765	S	S	*	*			trans	68.7	152.3	158.9	-61.1	173.5	178.6	172.5	0	114.7
1512	K	33.6	Very low	34.5	Very low	195 Å²	195	161.9 Å²	161.9	85%	0.848	76%	0.758	S	S	*	*			cis	-146.4	169.7	19.7	-157	-179.2	174.6	-165.4	0	111.5
1513	R	32.4	Very low	34.9	Very low	204 Å²	204	160.9 Å²	160.9	77%	0.77	76%	0.758	S	S	*	*			trans	-42.8	160.7	169.9	-58.9	-178.2	-175	163.2	-5.8	114
1514	N	36.4	Very low	35	Very low	139 Å²	139	161.1 Å²	161.1	74%	0.743	76%	0.757	S	S	*	*			cis	-125.3	155.1	35.5	-64.6	-1.7	0	0	0	112.3
1515	D	36.9	Very low	35.1	Very low	114 Å²	114	159.4 Å²	159.4	61%	0.61	75%	0.752	S	S	*	*				58	123.9	74	-25.6	-51	0	0	0	110.6
1516	D	38.3	Very low	35.3	Very low	142 Å²	142	154.4 Å²	154.4	76%	0.759	75%	0.751	S	S	*	*			cis	-132.1	148.5	24.6	-89.1	-62.9	0	0	0	113.3
1517	S	34.8	Very low	35.3	Very low	82 Å²	82	156.2 Å²	156.2	57%	0.573	76%	0.756	S	S	*	*				65.6	122.7	70.1	-37.2	0	0	0	0	112.5
1518	F	35.9	Very low	35.3	Very low	184 Å²	184	148.2 Å²	148.2	81%	0.807	75%	0.75	S	S	*	*			cis	-125.2	-167.1	9.3	-68	-95.4	0	0	0	109.5
1519	S	33.6	Very low	35.6	Very low	88 Å²	88	144.4 Å²	144.4	62%	0.615	74%	0.742	S	S	*	*			cis	70.7	150.2	15.1	94.3	0	0	0	0	116.6
1520	D	38.7	Very low	35.6	Very low	130 Å²	130	145.3 Å²	145.3	70%	0.695	74%	0.739	S	S	*	*			cis	-121.6	163.3	12.7	-55.1	-53.1	0	0	0	112.1
1521	R	38.1	Very low	35.7	Very low	209 Å²	209	141 Å²	141	79%	0.789	74%	0.737	S	S	*	*			cis	75.1	126.9	28.7	-131.4	-167.3	156.2	162.2	2.1	113.4
1522	D	39.4	Very low	35.9	Very low	114 Å²	114	138.9 Å²	138.9	61%	0.61	74%	0.735	S	S	*	*				155.4	166.1	97.9	-79.6	-25.7	0	0	0	104.6
1523	D	38.8	Very low	36	Very low	116 Å²	116	134.7 Å²	134.7	62%	0.62	73%	0.726	S	S	*	*			cis	-155.6	146.7	-23.8	-94.8	-20.4	0	0	0	103.7
1524	E	34.4	Very low	36.1	Very low	171 Å²	171	131 Å²	131	80%	0.799	72%	0.722	S	S	*	*				66.3	149.4	58.4	-140	-168.3	-110.7	0	0	115.5
1525	V	34.7	Very low	36.1	Very low	113 Å²	113	132.6 Å²	132.6	69%	0.685	72%	0.718	S	S	*	*			trans	71.8	115.2	167.7	-160.7	0	0	0	0	115.9
1526	S	36.1	Very low	36	Very low	114 Å²	114	137.4 Å²	137.4	80%	0.797	73%	0.728	S	S	*	*				-169.8	151.7	80.4	34.7	0	0	0	0	114.5
1527	N	31.4	Very low	35.7	Very low	172 Å²	172	141.4 Å²	141.4	92%	0.92	73%	0.732	S	S	*	*			trans	-96.8	150.3	-179.8	-76.7	-74.9	0	0	0	113.2
1528	G	34.8	Very low	35.8	Very low	79 Å²	79	143.5 Å²	143.5	81%	0.814	74%	0.744	S	S	*	*			trans	-164.6	118.6	168.8	0	0	0	0	0	111
1529	H	35.3	Very low	36	Very low	152 Å²	152	140 Å²	140	70%	0.704	74%	0.74	S	S	*	*			cis	146.7	111.5	-9.6	-169.6	66.3	0	0	0	107.1
1530	K	36.8	Very low	35.9	Very low	183 Å²	183	140.7 Å²	140.7	80%	0.796	75%	0.751	S	S	*	*			trans	74.7	149.4	158.9	-66.6	172.3	174.4	152.6	0	121.6
1531	G	37.2	Very low	35.5	Very low	66 Å²	66	140.6 Å²	140.6	68%	0.68	75%	0.75	S	S	*	*			trans	113.6	130.9	165.7	0	0	0	0	0	113.6
1532	D	35.3	Very low	35.1	Very low	149 Å²	149	141.5 Å²	141.5	80%	0.797	75%	0.754	S	S	*	*			cis	-162	176.2	-19.5	-129.2	-27.4	0	0	0	111.9
1533	T	35.7	Very low	34.6	Very low	108 Å²	108	140.1 Å²	140.1	66%	0.663	75%	0.753	S	S	*	*			trans	-6.3	150.5	156.2	58.3	0	0	0	0	119.9
1534	D	34.8	Very low	34	Very low	127 Å²	127	141.2 Å²	141.2	68%	0.679	76%	0.759	S	S	*	*			cis	-173.2	-169.8	3.4	-121.9	-43.2	0	0	0	112
1535	Y	36.7	Very low	33.8	Very low	172 Å²	172	138.9 Å²	138.9	68%	0.675	75%	0.748	S	S	*	*			trans	103	95.5	147.9	-69.5	-73.6	0	0	0	122
1536	R	34.8	Very low	33.6	Very low	215 Å²	215	142.4 Å²	142.4	81%	0.811	75%	0.749	S	S	*	*				77	98.5	129.1	-75.2	177.3	-170.1	173.8	5.3	122.7
1537	R	32.2	Very low	33.6	Very low	225 Å²	225	143.2 Å²	143.2	85%	0.849	74%	0.74	S	S	*	*				-10.1	153.7	115.1	-91.9	-175.1	-179.6	-169.9	1.3	116.9
1538	P	38.1	Very low	33.7	Very low	126 Å²	126	142.6 Å²	142.6	82%	0.818	73%	0.731	S	S	*	*				-146.2	175.9	51.2	38.6	-18	0	0	0	118.3
1539	P	38.6	Very low	33.6	Very low	112 Å²	112	150.1 Å²	150.1	73%	0.727	74%	0.735	S	S	*	*			trans	-109.5	155.8	-177.8	40.3	-32.5	0	0	0	115.4
1540	A	33	Very low	33.5	Very low	101 Å²	101	153.2 Å²	153.2	84%	0.835	74%	0.74	S	S	*	*			trans	-174.2	168.4	164.9	0	0	0	0	0	109.4
1541	N	28.6	Very low	33.5	Very low	129 Å²	129	149.6 Å²	149.6	69%	0.69	74%	0.735	S	S	*	*			cis	-173.5	153	-45.1	-146.6	-4.9	0	0	0	106.2
1542	W	30.9	Very low	33.2	Very low	228 Å²	228	150.8 Å²	150.8	86%	0.864	73%	0.734	S	S	*	*			trans	65.7	163.2	164.1	-58	1	0	0	0	117.7
1543	S	28.4	Very low	33.2	Very low	84 Å²	84	150.1 Å²	150.1	59%	0.587	73%	0.729	S	S	*	*			cis	-172.1	140.4	-34.7	57.5	0	0	0	0	109.9
1544	N	27	Very low	33.2	Very low	139 Å²	139	151.7 Å²	151.7	74%	0.743	73%	0.733	S	S	*	*			trans	61.2	169.2	156.6	-64.7	9.8	0	0	0	116.4
1545	E	29.7	Very low	33	Very low	123 Å²	123	148.9 Å²	148.9	58%	0.575	73%	0.733	S	S	*	*			cis	-152.1	154.1	1	-141.1	156.4	128.6	0	0	113.9
1546	R	30.8	Very low	32.6	Very low	187 Å²	187	145.1 Å²	145.1	71%	0.706	73%	0.729	S	S	*	*			trans	72.6	139.6	141.2	-107.2	176.5	-114.3	-144.1	0.1	123.4
1547	H	36.2	Very low	32.3	Very low	131 Å²	131	145.2 Å²	145.2	61%	0.606	73%	0.731	S	S	*	*			trans	88.4	107.8	150.6	-60.7	-50	0	0	0	121.6
1548	H	32.2	Very low	32.2	Very low	158 Å²	158	139.2 Å²	139.2	73%	0.731	72%	0.719	S	S	*	*				52.7	137.4	127	-52.7	-42.9	0	0	0	120.6
1549	R	33	Very low	31.6	Very low	237 Å²	237	139.9 Å²	139.9	89%	0.894	72%	0.715	S	S	*	*			cis	-152.1	159.8	16.8	-126.8	164.3	-165.5	-174.8	3.1	111.3
1550	R	33.7	Very low	31	Very low	218 Å²	218	139.4 Å²	139.4	82%	0.823	72%	0.715	S	S	*	*			trans	-71.2	171.2	164.7	-107.5	-175.8	-179.3	-176.3	-0.8	110.2
1551	P	36.9	Very low	30.7	Very low	106 Å²	106	139.1 Å²	139.1	69%	0.688	71%	0.707	S	S	*	*			cis	-139.4	154.5	34.6	50	-32.7	0	0	0	115
1552	S	31.6	Very low	30.6	Very low	92 Å²	92	138.9 Å²	138.9	64%	0.643	71%	0.71	S	S	*	*				83.1	153.7	93	70.5	0	0	0	0	115.9
1553	L	35.2	Very low	30.4	Very low	135 Å²	135	133.1 Å²	133.1	71%	0.707	70%	0.704	S	S	*	*			cis	-166.8	144.1	-30.7	-110.7	122.3	0	0	0	103.3
1554	L	34.8	Very low	30.4	Very low	141 Å²	141	133.7 Å²	133.7	74%	0.738	71%	0.709	S	S	*	*			cis	83.3	130.3	29.2	-166.1	74	0	0	0	114.8	T1556	L1554-T1556 HydrophobicContact CD1-CG2 3.72Å; L1554-T1556 HydrophobicContact CG-CG2 4.48Å
1555	G	30.2	Very low	30.5	Very low	67 Å²	67	129.4 Å²	129.4	69%	0.691	70%	0.697	S	S	*	*			trans	141.9	94	-178.5	0	0	0	0	0	110.3
1556	T	29.1	Very low	30.5	Very low	94 Å²	94	128.7 Å²	128.7	58%	0.577	71%	0.706	S	S	*	*			cis	69.2	116.4	11.2	72	0	0	0	0	118.1	L1554	L1554-T1556 HydrophobicContact CD1-CG2 3.72Å; L1554-T1556 HydrophobicContact CG-CG2 4.48Å
1557	Y	28.7	Very low	30.4	Very low	217 Å²	217	128.5 Å²	128.5	85%	0.851	71%	0.713	S	S	*	*			trans	71.7	152.1	151.2	-82.1	-123.9	0	0	0	117
1558	V	29.2	Very low	30.2	Very low	99 Å²	99	127.4 Å²	127.4	60%	0.6	72%	0.72	S	S	*	*			cis	-172.5	168.5	-19.2	70	0	0	0	0	110.3
1559	D	26.3	Very low	30.1	Very low	140 Å²	140	127.2 Å²	127.2	75%	0.749	72%	0.719	S	S	*	*			trans	65.7	145.2	154.5	-69.9	-29.1	0	0	0	124.3
1560	S	26.3	Very low	30.2	Very low	102 Å²	102	122 Å²	122	71%	0.713	72%	0.717	S	S	*	*			trans	84.5	109.4	136.3	-80.4	0	0	0	0	124.5
1561	S	25.5	Very low	29.9	Very low	95 Å²	95	121.3 Å²	121.3	66%	0.664	71%	0.714	S	S	*	*				82.6	117.1	110.8	-55.1	0	0	0	0	123.4
1562	T	26.5	Very low	29.5	Very low	123 Å²	123	126.6 Å²	126.6	76%	0.755	72%	0.722	S	S	*	*			trans	68.8	115.5	133	57.7	0	0	0	0	123.3
1563	S	27.8	Very low	29.5	Very low	107 Å²	107	126.4 Å²	126.4	75%	0.748	72%	0.72	S	S	*	*			trans	60.3	144.6	135	64.4	0	0	0	0	119.9
1564	S	28.5	Very low	29.2	Very low	97 Å²	97	129.8 Å²	129.8	68%	0.678	73%	0.73	S	S	*	*			cis	-173	159.9	18.5	43.8	0	0	0	0	111
1565	G	29.1	Very low	29	Very low	49 Å²	49	133.8 Å²	133.8	51%	0.505	74%	0.736	S	S	.	*			trans	135.8	114.9	145.5	0	0	0	0	0	119.6
1566	S	29.3	Very low	29.2	Very low	108 Å²	108	141.6 Å²	141.6	76%	0.755	75%	0.745	S	S	*	*			trans	26.9	143.7	133.7	58	0	0	0	0	120.8
1567	E	28.5	Very low	29.4	Very low	183 Å²	183	142.9 Å²	142.9	86%	0.855	76%	0.755	S	S	*	*			cis	-162.3	158.6	12.9	-125.6	176.3	141.7	0	0	106.3
1568	S	31.7	Very low	29.6	Very low	108 Å²	108	144.3 Å²	144.3	76%	0.755	76%	0.759	S	S	*	*			cis	-174.7	164.7	46.2	48.7	0	0	0	0	110.3
1569	Q	30.3	Very low	29.6	Very low	153 Å²	153	142.8 Å²	142.8	72%	0.715	76%	0.763	S	S	*	*			trans	-94.5	164.8	178.1	-75	-167	-25.4	0	0	113.6
1570	P	34.9	Very low	29.9	Very low	129 Å²	129	141.2 Å²	141.2	84%	0.838	76%	0.763	S	S	*	*				-116	161	109.9	33.9	-34.9	0	0	0	114.3
1571	R	27.2	Very low	29.9	Very low	203 Å²	203	145 Å²	145	77%	0.766	78%	0.775	S	S	*	*			trans	-86.2	171	-175.7	-57.1	169.9	172.4	165.8	-3.6	110.5
1572	Y	29.7	Very low	30.2	Very low	217 Å²	217	144.3 Å²	144.3	85%	0.851	77%	0.771	S	S	*	*				-156.7	145.8	84.3	-109.5	-85.5	0	0	0	115.9
1573	S	29.9	Very low	30.4	Very low	88 Å²	88	145.1 Å²	145.1	62%	0.615	77%	0.77	S	S	*	*			trans	9.1	120	161.9	54.9	0	0	0	0	122
1574	F	29.8	Very low	30.4	Very low	206 Å²	206	147.3 Å²	147.3	90%	0.904	77%	0.767	S	S	*	*			trans	-71.7	134.8	145.7	-90.3	-98.4	0	0	0	111.1
1575	Y	30.7	Very low	30.6	Very low	224 Å²	224	148.2 Å²	148.2	88%	0.878	77%	0.77	S	S	*	*			trans	-97.3	131.9	158.6	-109.3	-83.2	0	0	0	110.6
1576	R	33.7	Very low	30.6	Very low	231 Å²	231	153.6 Å²	153.6	87%	0.872	78%	0.78	S	S	*	*			trans	-139.5	100.6	-174.5	-167.6	-167.2	-158.1	-164.1	11.1	112.4
1577	P	34.2	Very low	31	Very low	121 Å²	121	154.9 Å²	154.9	79%	0.786	78%	0.783	S	S	*	*			trans	-98.1	90.6	173.8	34.4	-29.5	0	0	0	112.3
1578	R	32.4	Very low	31	Very low	248 Å²	248	152.2 Å²	152.2	94%	0.936	78%	0.775	S	S	*	*			trans	-128.3	75.5	148	-89.7	-163.7	174.5	-179.6	1.3	109.2
1579	G	29.6	Very low	31.2	Very low	67 Å²	67	156.6 Å²	156.6	69%	0.691	78%	0.775	S	S	*	*			trans	-70.1	145.4	173.9	0	0	0	0	0	112.4
1580	S	31.7	Very low	31.4	Very low	107 Å²	107	158.9 Å²	158.9	75%	0.748	78%	0.782	S	S	*	*			trans	55.2	68.4	141.3	-52.4	0	0	0	0	118.4	S1582	S1580-S1582 PolarHBondContact O-N 2.8Å
1581	N	27.4	Very low	31.3	Very low	181 Å²	181	156 Å²	156	97%	0.968	78%	0.776	S	S	*	*			trans	-82.9	70.1	144.3	-122.5	-8.5	0	0	0	108.4
1582	S	31	Very low	31.5	Very low	81 Å²	81	152.3 Å²	152.3	57%	0.566	78%	0.776	S	S	*	*			trans	-91.4	126.5	-173.6	44.3	0	0	0	0	112.8	S1580	S1580-S1582 PolarHBondContact O-N 2.8Å
1583	N	31.8	Very low	31.6	Very low	140 Å²	140	152.1 Å²	152.1	75%	0.749	78%	0.775	S	S	*	*			trans	65.1	114.3	152.7	-58.1	-29.8	0	0	0	120.3
1584	F	27.4	Very low	32	Very low	153 Å²	153	152.9 Å²	152.9	67%	0.671	78%	0.781	S	S	*	*				18	145.5	121.7	-64.8	-65.8	0	0	0	120.3	K1586	F1584-K1586 HydrophobicContact CD1-CB 4.06Å; F1584-K1586 HydrophobicContact CD1-CD 3.63Å; F1584-K1586 HydrophobicContact CD1-CG 3.86Å; F1584-K1586 HydrophobicContact CE1-CD 3.64Å; F1584-K1586 HydrophobicContact CE1-CG 4.06Å
1585	P	32.2	Very low	32.4	Very low	116 Å²	116	146.1 Å²	146.1	75%	0.753	76%	0.757	S	S	*	*			cis	-122.7	161.4	30.2	39.2	-26.5	0	0	0	115.7
1586	K	29.1	Very low	32.5	Very low	161 Å²	161	145.1 Å²	145.1	70%	0.7	75%	0.752	S	S	*	*			cis	75.1	44.7	39.8	-103.7	-177.7	-174.4	167.8	0	116.6	F1584	F1584-K1586 HydrophobicContact CD1-CB 4.06Å; F1584-K1586 HydrophobicContact CD1-CD 3.63Å; F1584-K1586 HydrophobicContact CD1-CG 3.86Å; F1584-K1586 HydrophobicContact CE1-CD 3.64Å; F1584-K1586 HydrophobicContact CE1-CG 4.06Å
1587	T	37.2	Very low	32.4	Very low	135 Å²	135	137.9 Å²	137.9	83%	0.828	74%	0.736	S	S	*	*			trans	-130.3	111.3	149.8	49.5	0	0	0	0	108.8
1588	N	30.4	Very low	32.3	Very low	127 Å²	127	134.9 Å²	134.9	68%	0.679	72%	0.719	S	S	*	*			cis	85.3	133.6	24.9	-156.1	-0.9	0	0	0	114.5
1589	R	34.9	Very low	32.2	Very low	201 Å²	201	126.9 Å²	126.9	76%	0.758	70%	0.7	S	S	*	*			trans	77.6	111.2	174.7	-55.5	-171	177	178.6	-0.9	114.5
1590	K	33.6	Very low	32.4	Very low	201 Å²	201	131.8 Å²	131.8	87%	0.874	71%	0.71	S	S	*	*				72.6	129.8	84	-71.7	177.1	179.4	-169.5	0	111.6
1591	G	34.7	Very low	32.5	Very low	68 Å²	68	133.8 Å²	133.8	70%	0.701	71%	0.712	S	S	*	*			cis	149.2	177.3	-3.5	0	0	0	0	0	111.8
1592	V	31.1	Very low	32.9	Very low	126 Å²	126	130.9 Å²	130.9	76%	0.764	70%	0.702	S	S	*	*			trans	48	111.6	158.7	-174.2	0	0	0	0	117.3
1593	Y	30.7	Very low	33	Very low	212 Å²	212	133.1 Å²	133.1	83%	0.831	71%	0.708	S	S	*	*				-162.7	114.9	115.9	-105.6	-69.4	0	0	0	111.9
1594	S	39.3	Very low	33.1	Very low	105 Å²	105	134.4 Å²	134.4	73%	0.734	72%	0.715	S	S	*	*			trans	-115.1	145.9	151.4	-179.1	0	0	0	0	104.8
1595	P	37.8	Very low	33.5	Very low	63 Å²	63	134.1 Å²	134.1	41%	0.409	72%	0.721	S	S	.	*				-160.5	170.7	98.4	42.2	-23.4	0	0	0	117.6
1596	R	32.7	Very low	33.7	Very low	203 Å²	203	136.1 Å²	136.1	77%	0.766	72%	0.722	S	S	*	*			trans	67.8	167.2	140.1	-79.8	166	176.6	-172.8	-1.1	120.2
1597	S	31.7	Very low	33.9	Very low	79 Å²	79	133.3 Å²	133.3	55%	0.552	71%	0.714	S	S	*	*			cis	-173.4	120.4	-44.3	-101.1	0	0	0	0	114
1598	S	32.5	Very low	33.6	Very low	59 Å²	59	136.1 Å²	136.1	41%	0.413	71%	0.71	S	S	.	*			trans	61.4	162	131	70	0	0	0	0	123.4
1599	S	29.7	Very low	33.8	Very low	79 Å²	79	137.4 Å²	137.4	55%	0.552	71%	0.711	S	S	*	*			trans	74.7	122.6	170.2	71.3	0	0	0	0	118.2
1600	L	33.6	Very low	33.7	Very low	171 Å²	171	134.7 Å²	134.7	90%	0.895	71%	0.711	S	S	*	*				-167.3	151.9	93.9	-96.2	166.4	0	0	0	112.2
1601	L	33.5	Very low	33.6	Very low	149 Å²	149	132.1 Å²	132.1	78%	0.78	71%	0.706	S	S	*	*			trans	-82.5	167	174	-73.5	162.3	0	0	0	110.1
1602	P	36.7	Very low	33.6	Very low	119 Å²	119	134.6 Å²	134.6	77%	0.773	71%	0.709	S	S	*	*				-138.5	168.3	69.1	40.4	-24.2	0	0	0	116.2
1603	D	32.2	Very low	33.5	Very low	129 Å²	129	137.4 Å²	137.4	69%	0.69	71%	0.706	S	S	*	*			trans	-63.4	158.6	164.3	-37.6	-97.9	0	0	0	112.2
1604	D	34.5	Very low	33.5	Very low	166 Å²	166	134.1 Å²	134.1	89%	0.888	70%	0.696	S	S	*	*				-167.8	140.3	120.1	-111.2	-26.4	0	0	0	110.7
1605	D	35.2	Very low	33.1	Very low	148 Å²	148	136.2 Å²	136.2	79%	0.791	69%	0.694	S	S	*	*			trans	-66.3	161.9	169.9	-118.2	-49.9	0	0	0	111.5
1606	M	36.2	Very low	32.9	Very low	157 Å²	157	139.3 Å²	139.3	77%	0.773	71%	0.708	S	S	*	*			trans	166.6	116.6	132.2	-89.4	-62.4	169.1	0	0	113.7
1607	N	34.8	Very low	33	Very low	102 Å²	102	136.2 Å²	136.2	55%	0.545	71%	0.705	S	S	.	*			trans	54.5	121.4	138.8	-82.1	-53.7	0	0	0	122
1608	R	29.7	Very low	33	Very low	195 Å²	195	137.5 Å²	137.5	74%	0.736	71%	0.714	S	S	*	*				61.2	123.9	129.3	-55.7	168.3	-167.1	-147.2	-3.5	119.1
1609	H	34.2	Very low	33.1	Very low	153 Å²	153	139.6 Å²	139.6	71%	0.708	73%	0.729	S	S	*	*				171.4	119.8	101	-88.7	-68.1	0	0	0	109.4
1610	I	33.5	Very low	33.3	Very low	145 Å²	145	140.5 Å²	140.5	74%	0.744	74%	0.736	S	S	*	*				63.9	128.4	102.8	-60.5	-175.8	0	0	0	115.3
1611	L	32.1	Very low	33.3	Very low	147 Å²	147	137.4 Å²	137.4	77%	0.77	73%	0.728	S	S	*	*			trans	-51.9	149.6	174.9	-67.4	162	0	0	0	115	R1613	L1611-R1613 HydrophobicContact CB-CB 4.49Å
1612	P	35.1	Very low	33.2	Very low	120 Å²	120	137 Å²	137	78%	0.779	73%	0.727	S	S	*	*				-128.8	127.1	121.6	33.9	-24.5	0	0	0	109.4
1613	R	28.3	Very low	33	Very low	184 Å²	184	136.5 Å²	136.5	69%	0.694	73%	0.726	S	S	*	*			cis	53.9	130.6	29.7	-148	-179.7	-166.7	-162.9	5.7	114.7	L1611	L1611-R1613 HydrophobicContact CB-CB 4.49Å
1614	F	30.5	Very low	32.9	Very low	144 Å²	144	138.6 Å²	138.6	63%	0.632	73%	0.729	S	S	*	*			trans	72.8	150.6	174.2	-55.3	-55.1	0	0	0	115.2
1615	Q	31.4	Very low	32.8	Very low	148 Å²	148	138 Å²	138	69%	0.692	72%	0.721	S	S	*	*			cis	-150.1	160.9	-6.9	-128.9	146.9	-10.6	0	0	107.2
1616	D	32.4	Very low	32.4	Very low	129 Å²	129	137.8 Å²	137.8	69%	0.69	72%	0.715	S	S	*	*				160.5	165.2	78.2	-109.1	-26.6	0	0	0	105.9
1617	L	35.2	Very low	32.1	Very low	137 Å²	137	136.9 Å²	136.9	72%	0.717	71%	0.713	S	S	*	*			cis	-155.3	158.3	12.5	-131.4	164.8	0	0	0	109.8
1618	S	32.5	Very low	31.8	Very low	106 Å²	106	137.4 Å²	137.4	74%	0.741	72%	0.724	S	S	*	*			trans	69.5	157.7	164.3	80.8	0	0	0	0	116.6
1619	S	34	Very low	31.9	Very low	103 Å²	103	132.2 Å²	132.2	72%	0.72	72%	0.718	S	S	*	*			cis	-175.3	152.4	-23.7	48.1	0	0	0	0	109.5
1620	S	34.1	Very low	31.6	Very low	99 Å²	99	131.6 Å²	131.6	69%	0.692	72%	0.715	S	S	*	*			cis	179.9	150.9	-22.1	52.1	0	0	0	0	109.2
1621	S	33.8	Very low	31.5	Very low	105 Å²	105	134 Å²	134	73%	0.734	72%	0.716	S	S	*	*			trans	69.1	153	168.2	83.6	0	0	0	0	116.4
1622	N	32	Very low	31.8	Very low	142 Å²	142	134 Å²	134	76%	0.759	71%	0.712	S	S	*	*			cis	-167.2	157.4	-16.2	-109.8	-3	0	0	0	109.1
1623	S	32	Very low	31.9	Very low	107 Å²	107	133.5 Å²	133.5	75%	0.748	71%	0.709	S	S	*	*			trans	65.5	163.4	152.2	77.3	0	0	0	0	117.8
1624	F	30.2	Very low	31.9	Very low	173 Å²	173	132.1 Å²	132.1	76%	0.759	71%	0.71	S	S	*	*			cis	-168.1	155.7	-35.7	-121.6	-81.6	0	0	0	106.6
1625	H	31.6	Very low	32	Very low	154 Å²	154	132.6 Å²	132.6	71%	0.713	72%	0.718	S	S	*	*			trans	61.7	173.1	167.5	-65.2	-71.3	0	0	0	116.9
1626	Q	27.4	Very low	32.2	Very low	144 Å²	144	131.7 Å²	131.7	67%	0.673	72%	0.722	S	S	*	*			cis	-175.2	160.5	-43.8	-167.9	-179.1	-33.2	0	0	107.8
1627	L	30	Very low	32.3	Very low	137 Å²	137	130.3 Å²	130.3	72%	0.717	72%	0.721	S	S	*	*			trans	74	132.6	173.6	-52.8	178.5	0	0	0	113.9
1628	S	28.2	Very low	31.8	Very low	113 Å²	113	130 Å²	130	79%	0.79	72%	0.715	S	S	*	*				76.4	149.1	54.7	-50.3	0	0	0	0	112.3
1629	S	31	Very low	31.6	Very low	86 Å²	86	133.4 Å²	133.4	60%	0.601	71%	0.713	S	S	*	*			cis	-146.3	154.8	17.2	90	0	0	0	0	111.1
1630	E	29	Very low	31.2	Very low	140 Å²	140	137.8 Å²	137.8	65%	0.654	71%	0.714	S	S	*	*				77.3	146.8	101.4	-132	168.8	-164.7	0	0	112.7
1631	Y	31.7	Very low	31.1	Very low	195 Å²	195	140 Å²	140	77%	0.765	72%	0.718	S	S	*	*			cis	-142.6	145.7	29.9	-109	-83.2	0	0	0	112.7
1632	H	36.7	Very low	31.1	Very low	149 Å²	149	144.3 Å²	144.3	69%	0.69	72%	0.724	S	S	*	*			trans	-74.5	160.4	150.8	-126.9	-113.2	0	0	0	108.5
1633	P	37	Very low	31.1	Very low	108 Å²	108	143.1 Å²	143.1	70%	0.701	72%	0.723	S	S	*	*				-146.9	151	75.6	44.3	-27.1	0	0	0	112.8
1634	E	28.2	Very low	30.9	Very low	156 Å²	156	148.4 Å²	148.4	73%	0.729	73%	0.727	S	S	*	*				39.2	119.9	79.4	-76.4	-163.4	135	0	0	115.6
1635	I	33.8	Very low	31.1	Very low	153 Å²	153	146.8 Å²	146.8	79%	0.785	73%	0.726	S	S	*	*			trans	-174	106.9	133	-95.8	152.7	0	0	0	106.7	P1637	I1635-P1637 HydrophobicContact CG2-CG 4.38Å
1636	T	34.9	Very low	31.1	Very low	129 Å²	129	147.9 Å²	147.9	79%	0.791	73%	0.732	S	S	*	*			trans	-90.6	124.6	164.7	-55.8	0	0	0	0	107.7
1637	P	34.3	Very low	31.5	Very low	101 Å²	101	146 Å²	146	66%	0.656	73%	0.732	S	S	*	*				-128.2	127.5	129.6	4	18.2	0	0	0	110.2	I1635	I1635-P1637 HydrophobicContact CG2-CG 4.38Å
1638	H	26.2	Very low	31.5	Very low	130 Å²	130	146.4 Å²	146.4	60%	0.602	73%	0.734	S	S	*	*				65.4	137.5	74.2	-100.6	-86.7	0	0	0	114.9
1639	Y	26.8	Very low	31.5	Very low	177 Å²	177	148.8 Å²	148.8	69%	0.694	74%	0.737	S	S	*	*			trans	66.8	143.4	159	-66.3	-47.2	0	0	0	116.4
1640	R	25.9	Very low	31.5	Very low	195 Å²	195	148.3 Å²	148.3	74%	0.736	75%	0.745	S	S	*	*			cis	173.3	134.9	-8.9	-157	-177.4	-156.9	160.1	-0.5	102.5
1641	N	32.7	Very low	32.2	Very low	145 Å²	145	147.3 Å²	147.3	78%	0.775	75%	0.751	S	S	*	*			trans	150.1	122.5	132.9	-72.8	-22.3	0	0	0	112.4
1642	K	32.6	Very low	32.8	Very low	197 Å²	197	143.1 Å²	143.1	86%	0.857	75%	0.748	S	S	*	*			trans	-74.1	149.2	155.4	-58.2	178.3	-179.8	-178.6	0	107.7
1643	P	32.9	Very low	32.6	Very low	116 Å²	116	141.1 Å²	141.1	75%	0.753	75%	0.749	S	S	*	*				-102.6	164.2	91.2	-20.7	38.3	0	0	0	112.5
1644	R	28.1	Very low	32.9	Very low	219 Å²	219	142 Å²	142	83%	0.826	75%	0.747	S	S	*	*			cis	63.5	133.6	46.2	-94.6	-169.8	-176.3	158.1	-0.9	111.3
1645	D	34.1	Very low	33.3	Very low	139 Å²	139	139.7 Å²	139.7	74%	0.743	75%	0.746	S	S	*	*			cis	-138	170.5	18.4	-79.7	-63.7	0	0	0	114.5
1646	Q	31.9	Very low	33.4	Very low	177 Å²	177	138 Å²	138	83%	0.827	74%	0.737	S	S	*	*			trans	-62.6	170.9	158.9	-79.6	178.9	-12.3	0	0	110.6
1647	P	35.5	Very low	33.3	Very low	105 Å²	105	139 Å²	139	68%	0.682	74%	0.736	S	S	*	*			cis	-160.8	171.2	43.1	45.3	-22.3	0	0	0	122.5
1648	L	29.7	Very low	33	Very low	144 Å²	144	138.3 Å²	138.3	75%	0.754	73%	0.734	S	S	*	*			trans	58.7	131.7	138.5	-69.9	164	0	0	0	123.8
1649	L	29.3	Very low	33.1	Very low	164 Å²	164	137.3 Å²	137.3	86%	0.859	74%	0.74	S	S	*	*			trans	64.6	124.5	137.5	-64.8	167.5	0	0	0	121.8
1650	G	30.8	Very low	33.2	Very low	75 Å²	75	134.5 Å²	134.5	77%	0.773	74%	0.741	S	S	*	*			trans	152	90.2	151.9	0	0	0	0	0	118.6
1651	P	43.2	Very low	33.3	Very low	119 Å²	119	131.8 Å²	131.8	77%	0.773	74%	0.741	S	S	*	*			trans	-87.9	-175.5	154.3	38.6	-34.2	0	0	0	110.8
1652	P	43.6	Very low	33.1	Very low	108 Å²	108	130.3 Å²	130.3	70%	0.701	74%	0.742	S	S	*	*			cis	-112.3	-158.1	-6.5	20.3	6.4	0	0	0	110.7
1653	C	34	Very low	32.9	Very low	106 Å²	106	125.1 Å²	125.1	72%	0.716	74%	0.736	S	S	*	*			cis	-153.5	160.8	33.9	-64.7	0	0	0	0	110.7
1654	I	41.4	Very low	32.7	Very low	126 Å²	126	127.5 Å²	127.5	65%	0.646	74%	0.741	S	S	*	*			cis	77.1	137	33.9	-65.4	-178.7	0	0	0	112.9	I1656	I1654-I1656 HydrophobicContact CB-CD1 4.39Å; I1654-I1656 HydrophobicContact CD1-CD1 4.07Å; I1654-I1656 HydrophobicContact CG1-CD1 3.93Å; I1654-I1656 HydrophobicContact CG2-CD1 3.86Å; I1654-I1656 HydrophobicContact CG2-CG1 4.5Å
1655	P	38.3	Very low	32.7	Very low	109 Å²	109	121.1 Å²	121.1	71%	0.708	73%	0.73	S	S	*	*			cis	-107.1	165.6	8.9	22.4	-0	0	0	0	114.2
1656	I	35.1	Very low	32.4	Very low	116 Å²	116	122.9 Å²	122.9	60%	0.595	73%	0.733	S	S	*	*			cis	69	146.6	40.2	-33.2	160.9	0	0	0	110	I1654	I1654-I1656 HydrophobicContact CB-CD1 4.39Å; I1654-I1656 HydrophobicContact CD1-CD1 4.07Å; I1654-I1656 HydrophobicContact CG1-CD1 3.93Å; I1654-I1656 HydrophobicContact CG2-CD1 3.86Å; I1654-I1656 HydrophobicContact CG2-CG1 4.5Å
1657	I	33	Very low	32.6	Very low	150 Å²	150	120.6 Å²	120.6	77%	0.769	73%	0.731	S	S	*	*			cis	-149.8	132.1	40	-68	159.7	0	0	0	107.3
1658	S	28	Very low	32.4	Very low	88 Å²	88	120.7 Å²	120.7	62%	0.615	73%	0.732	S	S	*	*				78.8	156.6	53.1	-67.7	0	0	0	0	112.8
1659	C	28.8	Very low	32.6	Very low	108 Å²	108	119.6 Å²	119.6	73%	0.73	73%	0.727	S	S	*	*			cis	-166.6	144.2	-9.9	-105.9	0	0	0	0	106.5
1660	V	29.4	Very low	33.2	Very low	118 Å²	118	117.3 Å²	117.3	72%	0.715	72%	0.722	S	S	*	*				120.6	136.5	85.5	149.3	0	0	0	0	113.6
1661	N	27.6	Very low	33.1	Very low	138 Å²	138	117 Å²	117	74%	0.738	72%	0.719	S	S	*	*			trans	42.4	123.1	152.8	-60.3	0.1	0	0	0	125
1662	S	28.6	Very low	32.5	Very low	114 Å²	114	118.8 Å²	118.8	80%	0.797	72%	0.721	S	S	*	*				49.7	125.4	115.6	-43.6	0	0	0	0	122.6
1663	A	27.5	Very low	31.9	Very low	89 Å²	89	121 Å²	121	74%	0.736	73%	0.726	S	S	*	*				147.8	165.9	101.8	0	0	0	0	0	114.7
1664	I	29.4	Very low	32	Very low	166 Å²	166	120.6 Å²	120.6	85%	0.851	72%	0.722	S	S	*	*			trans	73.9	129	164.5	-59.1	175.3	0	0	0	117.1
1665	S	27.7	Very low	31.4	Very low	85 Å²	85	122.8 Å²	122.8	59%	0.594	73%	0.732	S	S	*	*			trans	-93.1	167.8	171.2	52.7	0	0	0	0	111.5
1666	H	27.8	Very low	30.9	Very low	176 Å²	176	123.9 Å²	123.9	82%	0.815	74%	0.737	S	S	*	*				179.8	139.9	118.4	-87.7	-57.8	0	0	0	111.5
1667	T	35.3	Very low	30.7	Very low	129 Å²	129	124 Å²	124	79%	0.791	74%	0.742	S	S	*	*			trans	-83.9	163.4	172.3	54.4	0	0	0	0	111.1
1668	P	32	Very low	30.5	Very low	106 Å²	106	128.5 Å²	128.5	69%	0.688	75%	0.75	S	S	*	*				-143.3	159	93.2	36.1	-20.2	0	0	0	117.2
1669	N	34	Very low	30.7	Very low	121 Å²	121	133.1 Å²	133.1	65%	0.647	76%	0.755	S	S	*	*			trans	-76.1	-169.7	167.2	-123.6	-11.7	0	0	0	111
1670	P	42.6	Very low	31.5	Very low	117 Å²	117	131.3 Å²	131.3	76%	0.76	74%	0.742	S	S	*	*			cis	-132.7	-173.2	-38.7	36.9	-20	0	0	0	112.5
1671	G	27.8	Very low	31.7	Very low	69 Å²	69	130.6 Å²	130.6	71%	0.711	74%	0.74	S	S	*	*			trans	170.3	93.9	160.4	0	0	0	0	0	120.8
1672	L	29.8	Very low	32.2	Very low	156 Å²	156	127.3 Å²	127.3	82%	0.817	73%	0.726	S	S	*	*			trans	39.2	112.4	139.3	-54.7	172.1	0	0	0	120.5
1673	L	31.1	Very low	32.7	Very low	155 Å²	155	126.8 Å²	126.8	81%	0.812	71%	0.713	S	S	*	*				73.1	157.9	85.7	-71.8	-172.4	0	0	0	116.3
1674	P	37.2	Very low	33	Very low	96 Å²	96	128.6 Å²	128.6	62%	0.623	72%	0.717	S	S	*	*			cis	-141.9	173.3	-30.4	40	-22.7	0	0	0	116.4
1675	M	28	Very low	33.2	Very low	173 Å²	173	125.5 Å²	125.5	85%	0.852	71%	0.711	S	S	*	*			trans	62.5	161	161.6	-68	-170.3	-76	0	0	117.9
1676	T	28.6	Very low	34.1	Very low	132 Å²	132	126.9 Å²	126.9	81%	0.81	72%	0.718	S	S	*	*			cis	-154.6	165.4	30.4	-41.2	0	0	0	0	112.4
1677	V	31.6	Very low	34.2	Very low	118 Å²	118	124 Å²	124	72%	0.715	72%	0.718	S	S	*	*			trans	-91.6	150.1	-179.9	175.2	0	0	0	0	113.7
1678	R	27.5	Very low	34	Very low	245 Å²	245	122.4 Å²	122.4	93%	0.925	71%	0.712	S	S	*	*			trans	-163.2	150.4	155.1	-105	156.3	-155.9	-130.1	2.9	114.2
1679	Y	31.5	Very low	33.8	Very low	185 Å²	185	124.7 Å²	124.7	73%	0.725	71%	0.713	S	S	*	*			trans	-102.6	-160.5	175.9	-81	-85.2	0	0	0	110.7	Q873	Q873-Y1679 WeakPolarHBondContact O-CD1 3.41Å
1680	P	46	Very low	33.6	Very low	70 Å²	70	127.2 Å²	127.2	46%	0.455	72%	0.718	S	S	.	*				-122	-166.5	-67.9	39	-23.1	0	0	0	112.7	A872 Q873 M874	A872-P1680 WeakPolarHBondContact O-CB 3.46Å; A872-P1680 WeakPolarHBondContact O-CG 3.06Å; Q873-P1680 VanDerWaalsContact C-CB 3.49Å; Q873-P1680 VanDerWaalsContact O-CB 3.29Å; Q873-P1680 WeakPolarHBondContact O-CB 3.12Å; M874-P1680 WeakPolarHBondContact O-CA 3.18Å
1681	P	35	Very low	32.9	Very low	103 Å²	103	126.9 Å²	126.9	67%	0.669	71%	0.71	S	S	*	*				-153.8	-178.3	100.8	38.4	-17.5	0	0	0	116.4
1682	P	38.2	Very low	32.9	Very low	69 Å²	69	128.9 Å²	128.9	45%	0.448	71%	0.714	S	S	.	*			trans	-118.4	177.8	-162	44.7	-38	0	0	0	120.2	A872 Q873	A872-P1682 HydrophobicContact CB-CB 3.69Å; A872-P1682 HydrophobicContact CB-CG 3.73Å; Q873-P1682 HydrophobicContact CB-CB 4.08Å; Q873-P1682 VanDerWaalsContact CD-CB 3.41Å; Q873-P1682 HydrophobicContact CG-CB 4.35Å; Q873-P1682 VanDerWaalsContact OE1-CB 3.28Å
1683	L	38.5	Very low	32.9	Very low	103 Å²	103	125.1 Å²	125.1	54%	0.539	71%	0.705	S	S	.	*			trans	-2.3	154.4	155.8	-88.3	166.4	0	0	0	122.2
1684	P	32.9	Very low	32.8	Very low	126 Å²	126	123.9 Å²	123.9	82%	0.818	70%	0.704	S	S	*	*				-136.6	166.2	112.3	39.5	-31.2	0	0	0	116.1
1685	S	33.3	Very low	32.3	Very low	101 Å²	101	124.2 Å²	124.2	71%	0.706	71%	0.708	S	S	*	*			trans	-130.9	-146.5	-174.2	47.3	0	0	0	0	113.5
1686	P	47.3	Very low	32.3	Very low	115 Å²	115	120.8 Å²	120.8	75%	0.747	70%	0.701	S	S	*	*				-124.9	-178.4	-95.8	40.1	-24	0	0	0	115.2
1687	S	30.3	Very low	32.3	Very low	116 Å²	116	119.4 Å²	119.4	81%	0.811	70%	0.697	S	S	*	*			trans	175.8	167.5	151.3	38	0	0	0	0	113.2
1688	S	30.1	Very low	32.1	Very low	95 Å²	95	121.3 Å²	121.3	66%	0.664	70%	0.698	S	S	*	*				-169.5	175.5	-58.7	54.3	0	0	0	0	111.1
1689	Q	28.8	Very low	32.3	Very low	154 Å²	154	116 Å²	116	72%	0.72	69%	0.688	S	S	*	*			trans	81.4	119	168.3	-47.5	-162.9	12.2	0	0	117.1
1690	F	28.8	Very low	32.2	Very low	173 Å²	173	117 Å²	117	76%	0.759	69%	0.69	S	S	*	*				84	146.9	64.3	-74.3	-53.5	0	0	0	113.6
1691	N	29	Very low	31.5	Very low	110 Å²	110	117.9 Å²	117.9	59%	0.588	70%	0.697	S	S	*	*			cis	-164.6	163.2	7.7	-132.5	-23.4	0	0	0	114.3
1692	S	27.6	Very low	31.3	Very low	112 Å²	112	117.8 Å²	117.8	78%	0.783	70%	0.7	S	S	*	*			trans	66.6	162.6	151.2	-119.1	0	0	0	0	120.9
1693	A	28.6	Very low	31.1	Very low	77 Å²	77	122.2 Å²	122.2	64%	0.636	72%	0.718	S	S	*	*			cis	-164.7	167.9	0.7	0	0	0	0	0	114.5
1694	V	29.4	Very low	31.1	Very low	129 Å²	129	124.4 Å²	124.4	78%	0.782	73%	0.725	S	S	*	*			trans	67.6	105.9	143.5	172.3	0	0	0	0	119.5
1695	S	26.7	Very low	31.4	Very low	103 Å²	103	123.6 Å²	123.6	72%	0.72	72%	0.72	S	S	*	*				77.2	157.1	97.2	97.2	0	0	0	0	116.6
1696	S	27.8	Very low	31.5	Very low	100 Å²	100	126.6 Å²	126.6	70%	0.699	72%	0.72	S	S	*	*			cis	-153.9	169.8	13.1	-17.2	0	0	0	0	113.7
1697	S	28.3	Very low	30.9	Very low	104 Å²	104	130.8 Å²	130.8	73%	0.727	72%	0.723	S	S	*	*			trans	-27.4	160.5	157.3	59.9	0	0	0	0	118.5
1698	Q	29	Very low	31	Very low	157 Å²	157	131.5 Å²	131.5	73%	0.734	72%	0.717	S	S	*	*			cis	-157.6	-176.3	39.2	-91.4	-159.3	27.7	0	0	110.5
1699	L	30.5	Very low	31	Very low	135 Å²	135	134.3 Å²	134.3	71%	0.707	72%	0.72	S	S	*	*			cis	177.6	-168	-34.1	-163.5	111.2	0	0	0	107.6
1700	W	29.8	Very low	30.9	Very low	206 Å²	206	133.7 Å²	133.7	78%	0.78	73%	0.727	S	S	*	*			trans	72	120.8	177.7	-60.8	71	0	0	0	116
1701	S	30.8	Very low	31.1	Very low	87 Å²	87	130.8 Å²	130.8	61%	0.608	72%	0.723	S	S	*	*			cis	90.2	157.2	27.3	92.3	0	0	0	0	114.8
1702	S	32.4	Very low	31.2	Very low	102 Å²	102	132.4 Å²	132.4	71%	0.713	73%	0.732	S	S	*	*			cis	-120.2	-143.2	2.3	-55	0	0	0	0	110.3
1703	I	33.7	Very low	31.4	Very low	162 Å²	162	133.8 Å²	133.8	83%	0.831	73%	0.729	S	S	*	*			cis	-146.7	155.7	11.2	-56	164.5	0	0	0	108.3
1704	H	38.9	Very low	31.3	Very low	148 Å²	148	139.6 Å²	139.6	69%	0.685	74%	0.736	S	S	*	*			trans	-141.4	169.5	166.8	-128	-65.7	0	0	0	109.2
1705	P	38.8	Very low	31.6	Very low	109 Å²	109	141 Å²	141	71%	0.708	74%	0.739	S	S	*	*				-126.8	138.8	118.1	3.4	18	0	0	0	111.8
1706	F	34.2	Very low	31.9	Very low	165 Å²	165	144.4 Å²	144.4	72%	0.724	74%	0.744	S	S	*	*				85.6	107.2	56	-67.6	-60.8	0	0	0	112.4
1707	Y	34.8	Very low	32.1	Very low	203 Å²	203	145.2 Å²	145.2	80%	0.796	75%	0.746	S	S	*	*				72	145.4	68.7	-82.5	-81.7	0	0	0	112.2
1708	N	32.8	Very low	32.3	Very low	130 Å²	130	145.4 Å²	145.4	70%	0.695	75%	0.748	S	S	*	*			cis	-148.6	-175	37	-94.2	-48.9	0	0	0	110.5
1709	Q	31.3	Very low	32.5	Very low	155 Å²	155	143.6 Å²	143.6	72%	0.724	74%	0.737	S	S	*	*			cis	-154.7	152	9.5	-147	157.4	-20.3	0	0	112	V1711	Q1709-V1711 HydrophobicContact CG-CG2 4.42Å
1710	T	26.7	Very low	32.6	Very low	141 Å²	141	141.8 Å²	141.8	87%	0.865	73%	0.734	S	S	*	*			trans	-132.8	144.6	157.6	44.8	0	0	0	0	108.8
1711	V	32	Very low	32.4	Very low	112 Å²	112	137.3 Å²	137.3	68%	0.679	72%	0.717	S	S	*	*			trans	-127.9	130.3	176	-179.4	0	0	0	0	109.1	Q1709 I1713	Q1709-V1711 HydrophobicContact CG-CG2 4.42Å; V1711-I1713 HydrophobicContact CG1-CD1 4.32Å; V1711-I1713 HydrophobicContact CG1-CG1 4.27Å
1712	N	30.4	Very low	32.4	Very low	144 Å²	144	139.5 Å²	139.5	77%	0.77	72%	0.718	S	S	*	*			trans	-147.1	119.1	176.5	-176.8	5.4	0	0	0	107.2
1713	I	31.7	Very low	32.4	Very low	141 Å²	141	141.4 Å²	141.4	72%	0.723	72%	0.718	S	S	*	*			trans	-138.9	119.3	-177.7	-60	-178.1	0	0	0	109	V1711	V1711-I1713 HydrophobicContact CG1-CD1 4.32Å; V1711-I1713 HydrophobicContact CG1-CG1 4.27Å
1714	Y	28.1	Very low	32.3	Very low	198 Å²	198	140.3 Å²	140.3	78%	0.776	71%	0.712	S	S	*	*			trans	-73.8	141.8	167.9	-93.5	-111.3	0	0	0	111.1
1715	N	34.8	Very low	31.9	Very low	160 Å²	160	139.9 Å²	139.9	86%	0.856	71%	0.713	S	S	*	*			trans	-159.9	137.1	142.7	-95.7	-32.2	0	0	0	109.3
1716	Q	34.1	Very low	31.5	Very low	174 Å²	174	141.7 Å²	141.7	81%	0.813	71%	0.714	S	S	*	*			trans	-89.8	160.5	170.3	-65.2	-171.9	-19.1	0	0	110.2
1717	P	31.5	Very low	31.4	Very low	116 Å²	116	140.3 Å²	140.3	75%	0.753	71%	0.713	S	S	*	*				-140.5	158	90.7	38.7	-25.9	0	0	0	115.6
1718	S	32.9	Very low	31.1	Very low	109 Å²	109	136.1 Å²	136.1	76%	0.762	71%	0.707	S	S	*	*			trans	48.1	119.9	151.8	53.7	0	0	0	0	122.3
1719	K	33.2	Very low	31	Very low	118 Å²	118	136.5 Å²	136.5	51%	0.513	71%	0.708	S	S	.	*			trans	-46.5	159.2	151.4	-85.7	-169.3	-178.7	-167.5	0	112.1	D1455 E1456	D1455-K1719 PolarHBondContact O-NZ 2.91Å; E1456-K1719 VanDerWaalsContact CG-NZ 3.3Å; E1456-K1719 IonicContact OE1-NZ 3.63Å; E1456-K1719 PolarHBondContact OE1-NZ 3.28Å
1720	P	31.1	Very low	31	Very low	98 Å²	98	135.1 Å²	135.1	64%	0.636	71%	0.707	S	S	*	*			cis	-143.2	-151.1	46.2	44.1	-23.4	0	0	0	115.9	K1452	K1452-P1720 VanDerWaalsContact CD-O 3.24Å; K1452-P1720 WeakPolarHBondContact CD-O 3.21Å
1721	W	26.5	Very low	31.4	Very low	112 Å²	112	134.6 Å²	134.6	42%	0.424	69%	0.694	S	S	.	*			trans	-121	147.7	-133.1	-138.2	81.6	0	0	0	113.9	K1452 L1453 I1454 D1455	K1452-W1721 CarbonylContact O-C 3.49Å; K1452-W1721 VanDerWaalsContact O-CA 3.3Å; K1452-W1721 WeakPolarHBondContact O-CA 3.29Å; L1453-W1721 VanDerWaalsContact C-CE3 3.48Å; L1453-W1721 VanDerWaalsContact C-CG 3.41Å; L1453-W1721 VanDerWaalsContact C-CZ2 3.44Å; L1453-W1721 WeakPolarHBondContact O-CH2 3.34Å; L1453-W1721 WeakPolarHBondContact O-CZ2 3.27Å; L1453-W1721 WeakPolarHBondContact O-CZ3 3.42Å; I1454-W1721 VanDerWaalsContact C-CD1 3.41Å; I1454-W1721 VanDerWaalsContact C-CD2 3.41Å; I1454-W1721 HydrophobicContact CB-CB 3.82Å; I1454-W1721 HydrophobicContact CB-CD2 2.7Å; I1454-W1721 VanDerWaalsContact CB-CE2 3.4Å; I1454-W1721 HydrophobicContact CB-CE3 3.27Å; I1454-W1721 HydrophobicContact CB-CG 2.95Å; I1454-W1721 HydrophobicContact CB-CH2 4.41Å; I1454-W1721 HydrophobicContact CB-CZ2 4.18Å; I1454-W1721 HydrophobicContact CB-CZ3 4.04Å; I1454-W1721 HydrophobicContact CD1-CD2 4.32Å; I1454-W1721 HydrophobicContact CD1-CE3 4.2Å; I1454-W1721 HydrophobicContact CD1-CG 4.47Å; I1454-W1721 HydrophobicContact CG1-CB 3.21Å; I1454-W1721 HydrophobicContact CG1-CD2 3.06Å; I1454-W1721 HydrophobicContact CG1-CE3 3.36Å; I1454-W1721 HydrophobicContact CG1-CG 2.96Å; I1454-W1721 HydrophobicContact CG1-CZ3 4.44Å; I1454-W1721 HydrophobicContact CG2-CD2 4.23Å; I1454-W1721 HydrophobicContact CG2-CG 4.13Å; I1454-W1721 VanDerWaalsContact N-CB 3.29Å; I1454-W1721 VanDerWaalsContact N-CE3 3.29Å; I1454-W1721 WeakPolarHBondContact O-CZ2 3.32Å; D1455-W1721 HydrophobicContact CB-CZ2 4.17Å
1722	Q	30.1	Very low	31.3	Very low	133 Å²	133	136.6 Å²	136.6	62%	0.621	70%	0.695	S	S	*	*			trans	-155.7	0	158.8	-148.7	-164.3	106.1	0	0	112.5	Y1451 K1452 L1453	Y1451-Q1722 CarbonylContact C-O 3.5Å; Y1451-Q1722 HydrophobicContact CD1-CB 3.63Å; Y1451-Q1722 HydrophobicContact CD1-CG 4.13Å; Y1451-Q1722 VanDerWaalsContact CD2-NE2 3.31Å; Y1451-Q1722 HydrophobicContact CE1-CB 4.48Å; Y1451-Q1722 VanDerWaalsContact CE1-NE2 3.27Å; Y1451-Q1722 HydrophobicContact CG-CB 4.1Å; Y1451-Q1722 VanDerWaalsContact CG-CD 3.43Å; Y1451-Q1722 HydrophobicContact CG-CG 4.34Å; K1452-Q1722 CarbonylContact C-O 3.56Å; K1452-Q1722 WeakPolarHBondContact CA-O 2.89Å; K1452-Q1722 PolarHBondContact N-O 2.6Å; K1452-Q1722 PolarHBondContact O-N 2.62Å; L1453-Q1722 CarbonylContact C-O 3.51Å; L1453-Q1722 PolarHBondContact N-O 2.76Å; L1453-Q1722 VanDerWaalsContact N-O 3.17Å; L1453-Q1722 CarbonylContact O-C 3.37Å

Retrieved 1,722 of 1,722 residues in 1954.5 ms (Link to these results)

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